smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001165011262 721701471 /nfs/dbraw/zinc/70/14/71/721701471.db2.gz PNQQTIBKWYFWQT-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001165011262 721701473 /nfs/dbraw/zinc/70/14/73/721701473.db2.gz PNQQTIBKWYFWQT-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053278 722010499 /nfs/dbraw/zinc/01/04/99/722010499.db2.gz FEJKYDHSENJJKT-UHFFFAOYSA-N 1 2 383.239 2.451 20 5 GEBDLO COC(=O)C[N@@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000121378492 532027313 /nfs/dbraw/zinc/02/73/13/532027313.db2.gz VPXRJWJZKBUBBG-UHFFFAOYSA-N 1 2 386.246 2.038 20 5 GEBDLO COC(=O)C[N@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000121378492 532027317 /nfs/dbraw/zinc/02/73/17/532027317.db2.gz VPXRJWJZKBUBBG-UHFFFAOYSA-N 1 2 386.246 2.038 20 5 GEBDLO COC(=O)CN1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000121378492 532027327 /nfs/dbraw/zinc/02/73/27/532027327.db2.gz VPXRJWJZKBUBBG-UHFFFAOYSA-N 1 2 386.246 2.038 20 5 GEBDLO COC(=O)CN1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000121378492 532027334 /nfs/dbraw/zinc/02/73/34/532027334.db2.gz VPXRJWJZKBUBBG-UHFFFAOYSA-N 1 2 386.246 2.038 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151137435 532307017 /nfs/dbraw/zinc/30/70/17/532307017.db2.gz DNAZJXHCMGMLFQ-CYBMUJFWSA-N 1 2 383.813 2.485 20 5 GEBDLO CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000278540879 532385328 /nfs/dbraw/zinc/38/53/28/532385328.db2.gz FKVBEQXTJCLLSX-UHFFFAOYSA-N 1 2 389.193 2.022 20 5 GEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000372775238 532407759 /nfs/dbraw/zinc/40/77/59/532407759.db2.gz FUELANZMUBEDML-CQSZACIVSA-N 1 2 385.511 2.023 20 5 GEBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 ZINC000598001363 532636303 /nfs/dbraw/zinc/63/63/03/532636303.db2.gz ZVKAPVASPJJCRQ-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 ZINC000598001363 532636306 /nfs/dbraw/zinc/63/63/06/532636306.db2.gz ZVKAPVASPJJCRQ-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO C[N@H+](CCn1cc(Br)cn1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568135196 532671454 /nfs/dbraw/zinc/67/14/54/532671454.db2.gz RYLWRCSIMKGRAE-UHFFFAOYSA-N 1 2 382.218 2.124 20 5 GEBDLO C[N@@H+](CCn1cc(Br)cn1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000568135196 532671463 /nfs/dbraw/zinc/67/14/63/532671463.db2.gz RYLWRCSIMKGRAE-UHFFFAOYSA-N 1 2 382.218 2.124 20 5 GEBDLO O=[N+]([O-])c1cncc(Br)c1NCc1cccnc1-n1cc[nH+]c1 ZINC000378064520 532678750 /nfs/dbraw/zinc/67/87/50/532678750.db2.gz YAKNBIGHXPNGDG-UHFFFAOYSA-N 1 2 375.186 2.367 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000285917037 532718645 /nfs/dbraw/zinc/71/86/45/532718645.db2.gz HUKYUVDXGWNDCC-JTQLQIEISA-N 1 2 375.809 2.022 20 5 GEBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501113745 532736990 /nfs/dbraw/zinc/73/69/90/532736990.db2.gz UCRRZKMNVZGXHT-SNVBAGLBSA-N 1 2 387.234 2.200 20 5 GEBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501113745 532736994 /nfs/dbraw/zinc/73/69/94/532736994.db2.gz UCRRZKMNVZGXHT-SNVBAGLBSA-N 1 2 387.234 2.200 20 5 GEBDLO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301351164 532749463 /nfs/dbraw/zinc/74/94/63/532749463.db2.gz JBVSSGDZQBKFNR-CQSZACIVSA-N 1 2 377.413 2.368 20 5 GEBDLO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301351164 532749465 /nfs/dbraw/zinc/74/94/65/532749465.db2.gz JBVSSGDZQBKFNR-CQSZACIVSA-N 1 2 377.413 2.368 20 5 GEBDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000505853429 532750625 /nfs/dbraw/zinc/75/06/25/532750625.db2.gz MRBWZUBOPIMTNY-UHFFFAOYSA-N 1 2 381.479 2.471 20 5 GEBDLO Cc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301430686 532751338 /nfs/dbraw/zinc/75/13/38/532751338.db2.gz GKCLNZUYZYBSIY-UHFFFAOYSA-N 1 2 375.878 2.478 20 5 GEBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000415993579 532862658 /nfs/dbraw/zinc/86/26/58/532862658.db2.gz UAWDWONQUFAYRO-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000416458009 532878000 /nfs/dbraw/zinc/87/80/00/532878000.db2.gz YHQDVJZSDZETTI-UHFFFAOYSA-N 1 2 381.376 2.328 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000416458009 532878002 /nfs/dbraw/zinc/87/80/02/532878002.db2.gz YHQDVJZSDZETTI-UHFFFAOYSA-N 1 2 381.376 2.328 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1Cl ZINC000290838069 532890281 /nfs/dbraw/zinc/89/02/81/532890281.db2.gz VESLCUAUPTWMFF-SNVBAGLBSA-N 1 2 375.809 2.022 20 5 GEBDLO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c(-c2nn[nH]n2)c1 ZINC000823639745 599380103 /nfs/dbraw/zinc/38/01/03/599380103.db2.gz GWSQGOKJCOIGHQ-GOSISDBHSA-N 1 2 395.423 2.260 20 5 GEBDLO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000502379906 650405742 /nfs/dbraw/zinc/40/57/42/650405742.db2.gz OUBFRDAFGVOIFE-AWEZNQCLSA-N 1 2 385.467 2.246 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000507950909 650470258 /nfs/dbraw/zinc/47/02/58/650470258.db2.gz LRZITFPGQFYPGC-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000507950909 650470260 /nfs/dbraw/zinc/47/02/60/650470260.db2.gz LRZITFPGQFYPGC-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1I)N1CC(n2cc[nH+]c2)C1 ZINC000522258023 650624382 /nfs/dbraw/zinc/62/43/82/650624382.db2.gz RKNURKRTBVPTFI-UHFFFAOYSA-N 1 2 398.160 2.093 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000107825607 643262147 /nfs/dbraw/zinc/26/21/47/643262147.db2.gz POLXRTFQBYEMGF-SNVBAGLBSA-N 1 2 391.209 2.332 20 5 GEBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000193788678 645298842 /nfs/dbraw/zinc/29/88/42/645298842.db2.gz ZWPCESMRTNQVIS-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287482622 646888423 /nfs/dbraw/zinc/88/84/23/646888423.db2.gz SZYJPLALBRIKIL-YPMHNXCESA-N 1 2 398.257 2.293 20 5 GEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000365189889 647663168 /nfs/dbraw/zinc/66/31/68/647663168.db2.gz FEOFECQLAJYNCT-CQSZACIVSA-N 1 2 385.511 2.023 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000416490209 648146356 /nfs/dbraw/zinc/14/63/56/648146356.db2.gz URRLUPOXQNBXDS-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000416490209 648146359 /nfs/dbraw/zinc/14/63/59/648146359.db2.gz URRLUPOXQNBXDS-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610059061 651641473 /nfs/dbraw/zinc/64/14/73/651641473.db2.gz DVBVSEVCJARJHE-ZDUSSCGKSA-N 1 2 398.257 2.294 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000612592293 651762412 /nfs/dbraw/zinc/76/24/12/651762412.db2.gz FCLVMNOGHGRORK-UHFFFAOYSA-N 1 2 381.479 2.494 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000754045859 652425321 /nfs/dbraw/zinc/42/53/21/652425321.db2.gz AYHBLWKCQSXYBT-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C ZINC000754045859 652425326 /nfs/dbraw/zinc/42/53/26/652425326.db2.gz AYHBLWKCQSXYBT-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000760854927 652626163 /nfs/dbraw/zinc/62/61/63/652626163.db2.gz LAWSINFWSHZIMS-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO CCn1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000594972903 652699122 /nfs/dbraw/zinc/69/91/22/652699122.db2.gz FUQWDZXPJBHVDE-UHFFFAOYSA-N 1 2 387.181 2.101 20 5 GEBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000598974038 652843159 /nfs/dbraw/zinc/84/31/59/652843159.db2.gz OWJDULSXIRTHGB-GFCCVEGCSA-N 1 2 398.257 2.294 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C(C)(C)C1 ZINC000766856899 652900834 /nfs/dbraw/zinc/90/08/34/652900834.db2.gz PLERLOGMYZAHJH-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C(C)(C)C1 ZINC000766856899 652900841 /nfs/dbraw/zinc/90/08/41/652900841.db2.gz PLERLOGMYZAHJH-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000600091836 652902846 /nfs/dbraw/zinc/90/28/46/652902846.db2.gz LLRAMZUHDVMJAY-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000600091836 652902850 /nfs/dbraw/zinc/90/28/50/652902850.db2.gz LLRAMZUHDVMJAY-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602483809 653185540 /nfs/dbraw/zinc/18/55/40/653185540.db2.gz LXROUIKHHNTLSK-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602483809 653185544 /nfs/dbraw/zinc/18/55/44/653185544.db2.gz LXROUIKHHNTLSK-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602597071 653193113 /nfs/dbraw/zinc/19/31/13/653193113.db2.gz UBWGPSZLLYLLAN-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602597071 653193117 /nfs/dbraw/zinc/19/31/17/653193117.db2.gz UBWGPSZLLYLLAN-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839675542 653659828 /nfs/dbraw/zinc/65/98/28/653659828.db2.gz DARVGNMUDFXKFR-JTQLQIEISA-N 1 2 387.845 2.025 20 5 GEBDLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839675542 653659829 /nfs/dbraw/zinc/65/98/29/653659829.db2.gz DARVGNMUDFXKFR-JTQLQIEISA-N 1 2 387.845 2.025 20 5 GEBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000817288786 653707813 /nfs/dbraw/zinc/70/78/13/653707813.db2.gz MURBTVNOKZSATR-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000817288786 653707815 /nfs/dbraw/zinc/70/78/15/653707815.db2.gz MURBTVNOKZSATR-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO COc1cc(C[NH2+]Cc2cnc(Br)cn2)c([N+](=O)[O-])cc1OC ZINC000895408947 653833259 /nfs/dbraw/zinc/83/32/59/653833259.db2.gz OTYBCZUTLSTHEW-UHFFFAOYSA-N 1 2 383.202 2.454 20 5 GEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncc(Br)cc3O)CC2)n1 ZINC000894078719 654444635 /nfs/dbraw/zinc/44/46/35/654444635.db2.gz LNTUKRFLARYNJB-UHFFFAOYSA-N 1 2 382.218 2.492 20 5 GEBDLO Cn1cc(C[NH+]2CCN(Cc3cc([N+](=O)[O-])ccc3Br)CC2)cn1 ZINC000929583625 654688377 /nfs/dbraw/zinc/68/83/77/654688377.db2.gz SKVNIGKZUOFTSN-UHFFFAOYSA-N 1 2 394.273 2.409 20 5 GEBDLO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165038100 721906084 /nfs/dbraw/zinc/90/60/84/721906084.db2.gz JUBWPHMTXLGTMW-GFCCVEGCSA-N 1 2 376.791 2.489 20 5 GEBDLO COCCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000174853675 532081432 /nfs/dbraw/zinc/08/14/32/532081432.db2.gz HUVPMHMHHVXDQE-AWEZNQCLSA-N 1 2 376.862 2.274 20 5 GEBDLO COCCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000174853675 532081437 /nfs/dbraw/zinc/08/14/37/532081437.db2.gz HUVPMHMHHVXDQE-AWEZNQCLSA-N 1 2 376.862 2.274 20 5 GEBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000127658723 532155986 /nfs/dbraw/zinc/15/59/86/532155986.db2.gz KFKDQJSDAJABLU-UHFFFAOYSA-N 1 2 381.801 2.155 20 5 GEBDLO C[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000558460155 532391901 /nfs/dbraw/zinc/39/19/01/532391901.db2.gz NBIGIPTXGNAOCK-ZANVPECISA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000558460155 532391908 /nfs/dbraw/zinc/39/19/08/532391908.db2.gz NBIGIPTXGNAOCK-ZANVPECISA-N 1 2 376.194 2.402 20 5 GEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000373957324 532481822 /nfs/dbraw/zinc/48/18/22/532481822.db2.gz UKFODFLSXPIZMH-CYBMUJFWSA-N 1 2 399.289 2.176 20 5 GEBDLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595382054 532562790 /nfs/dbraw/zinc/56/27/90/532562790.db2.gz BUURTJWKWFLOIR-MRVPVSSYSA-N 1 2 378.332 2.387 20 5 GEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000478810412 532660905 /nfs/dbraw/zinc/66/09/05/532660905.db2.gz DFGZEZUUVRUVEJ-UHFFFAOYSA-N 1 2 386.149 2.161 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000330631203 532823591 /nfs/dbraw/zinc/82/35/91/532823591.db2.gz FJJIDPGUNKDRNZ-NXEZZACHSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000330631203 532823592 /nfs/dbraw/zinc/82/35/92/532823592.db2.gz FJJIDPGUNKDRNZ-NXEZZACHSA-N 1 2 381.376 2.327 20 5 GEBDLO O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053524199 205137369 /nfs/dbraw/zinc/13/73/69/205137369.db2.gz REIWLFUYQNAYLK-UHFFFAOYSA-N 1 2 376.336 2.213 20 5 GEBDLO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1nncn1C ZINC000289592719 532860012 /nfs/dbraw/zinc/86/00/12/532860012.db2.gz SHELSBBGGIWAPV-QMMMGPOBSA-N 1 2 387.181 2.179 20 5 GEBDLO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ncnn1C ZINC000289663268 532862107 /nfs/dbraw/zinc/86/21/07/532862107.db2.gz ZCUUBJYDGIHAAH-QMMMGPOBSA-N 1 2 387.181 2.179 20 5 GEBDLO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](O)C[NH+]1CCOCC1 ZINC000289723149 532863962 /nfs/dbraw/zinc/86/39/62/532863962.db2.gz HBQIDIXKHBFFKS-ZDUSSCGKSA-N 1 2 378.256 2.027 20 5 GEBDLO CC1=CC[N@H+](CCNc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418920875 532881851 /nfs/dbraw/zinc/88/18/51/532881851.db2.gz ZXLDHHGBPKMERX-UHFFFAOYSA-N 1 2 388.209 2.080 20 5 GEBDLO CC1=CC[N@@H+](CCNc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418920875 532881852 /nfs/dbraw/zinc/88/18/52/532881852.db2.gz ZXLDHHGBPKMERX-UHFFFAOYSA-N 1 2 388.209 2.080 20 5 GEBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000370856234 532945722 /nfs/dbraw/zinc/94/57/22/532945722.db2.gz MIATTWJNZGPMKG-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000370856234 532945723 /nfs/dbraw/zinc/94/57/23/532945723.db2.gz MIATTWJNZGPMKG-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000370987985 532946344 /nfs/dbraw/zinc/94/63/44/532946344.db2.gz IFWSQFJZTYOGBV-CYBMUJFWSA-N 1 2 398.257 2.212 20 5 GEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000371054106 532946774 /nfs/dbraw/zinc/94/67/74/532946774.db2.gz MVGNBTXISCYWFN-NSHDSACASA-N 1 2 384.845 2.468 20 5 GEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000738370261 598256909 /nfs/dbraw/zinc/25/69/09/598256909.db2.gz SYHKSPXUFPCEKO-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000823648622 606960421 /nfs/dbraw/zinc/96/04/21/606960421.db2.gz ZENRCJOMCARJSC-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826169867 608355288 /nfs/dbraw/zinc/35/52/88/608355288.db2.gz IDOPZZKYGJDEQR-UHFFFAOYSA-N 1 2 395.423 2.106 20 5 GEBDLO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)Cn1cc[nH+]c1 ZINC000824426503 608368727 /nfs/dbraw/zinc/36/87/27/608368727.db2.gz GQEAYGVLEFEDBV-LLVKDONJSA-N 1 2 379.384 2.268 20 5 GEBDLO Cc1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000826288803 609313640 /nfs/dbraw/zinc/31/36/40/609313640.db2.gz XLXYHLJIHLELJK-UHFFFAOYSA-N 1 2 381.400 2.086 20 5 GEBDLO O=[N+]([O-])c1cncc(I)c1NCCCCn1cc[nH+]c1 ZINC000514591641 650574728 /nfs/dbraw/zinc/57/47/28/650574728.db2.gz ZCURRVJRVFFUMQ-UHFFFAOYSA-N 1 2 387.181 2.105 20 5 GEBDLO C[C@H]1C[N@H+](CCNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000523462456 650635388 /nfs/dbraw/zinc/63/53/88/650635388.db2.gz IDYLPSHTKWCTCF-NSHDSACASA-N 1 2 395.257 2.460 20 5 GEBDLO C[C@H]1C[N@@H+](CCNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000523462456 650635390 /nfs/dbraw/zinc/63/53/90/650635390.db2.gz IDYLPSHTKWCTCF-NSHDSACASA-N 1 2 395.257 2.460 20 5 GEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c1C ZINC000372616435 647810068 /nfs/dbraw/zinc/81/00/68/647810068.db2.gz FXINPBCJHVHVQI-CQSZACIVSA-N 1 2 385.511 2.023 20 5 GEBDLO Cc1nc(C)c(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000421015845 648461968 /nfs/dbraw/zinc/46/19/68/648461968.db2.gz LFWYJGWPDMPRHY-UHFFFAOYSA-N 1 2 384.483 2.078 20 5 GEBDLO Cc1nc(C)c(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000421015845 648461971 /nfs/dbraw/zinc/46/19/71/648461971.db2.gz LFWYJGWPDMPRHY-UHFFFAOYSA-N 1 2 384.483 2.078 20 5 GEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000610782890 651685506 /nfs/dbraw/zinc/68/55/06/651685506.db2.gz RPAWUJDLRSVHJX-UHFFFAOYSA-N 1 2 396.245 2.433 20 5 GEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000610782890 651685509 /nfs/dbraw/zinc/68/55/09/651685509.db2.gz RPAWUJDLRSVHJX-UHFFFAOYSA-N 1 2 396.245 2.433 20 5 GEBDLO O=C1N=NCN1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000572777904 651912057 /nfs/dbraw/zinc/91/20/57/651912057.db2.gz QIMHOJFIYXFYCR-UHFFFAOYSA-N 1 2 382.218 2.492 20 5 GEBDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c(I)cncc1[N+](=O)[O-] ZINC000596308738 652759967 /nfs/dbraw/zinc/75/99/67/652759967.db2.gz MONWFKZXKDOSDA-SECBINFHSA-N 1 2 390.225 2.301 20 5 GEBDLO CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(I)cncc1[N+](=O)[O-] ZINC000596308738 652759974 /nfs/dbraw/zinc/75/99/74/652759974.db2.gz MONWFKZXKDOSDA-SECBINFHSA-N 1 2 390.225 2.301 20 5 GEBDLO COc1cc(C[NH2+]Cc2c(Br)cnn2C)c([N+](=O)[O-])cc1OC ZINC000601143969 652956428 /nfs/dbraw/zinc/95/64/28/652956428.db2.gz MYFCGWNGNVHLCX-UHFFFAOYSA-N 1 2 385.218 2.398 20 5 GEBDLO O=C(NCCO)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809935136 653314147 /nfs/dbraw/zinc/31/41/47/653314147.db2.gz OZCPTGDANCPQKI-UHFFFAOYSA-N 1 2 376.240 2.222 20 5 GEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000816642004 653689485 /nfs/dbraw/zinc/68/94/85/653689485.db2.gz MNOOLTLTQLXLCW-GFCCVEGCSA-N 1 2 396.245 2.278 20 5 GEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000816642004 653689491 /nfs/dbraw/zinc/68/94/91/653689491.db2.gz MNOOLTLTQLXLCW-GFCCVEGCSA-N 1 2 396.245 2.278 20 5 GEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881464417 653732173 /nfs/dbraw/zinc/73/21/73/653732173.db2.gz OJJXYMOACOMDJJ-NSHDSACASA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881464417 653732175 /nfs/dbraw/zinc/73/21/75/653732175.db2.gz OJJXYMOACOMDJJ-NSHDSACASA-N 1 2 386.246 2.198 20 5 GEBDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884016 653974999 /nfs/dbraw/zinc/97/49/99/653974999.db2.gz XLJAHFNULPKPQF-UFBFGSQYSA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884016 653975010 /nfs/dbraw/zinc/97/50/10/653975010.db2.gz XLJAHFNULPKPQF-UFBFGSQYSA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000798227573 654055696 /nfs/dbraw/zinc/05/56/96/654055696.db2.gz TWBSNVRMVUXYLI-DTWKUNHWSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000798227573 654055702 /nfs/dbraw/zinc/05/57/02/654055702.db2.gz TWBSNVRMVUXYLI-DTWKUNHWSA-N 1 2 377.825 2.291 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1Cl ZINC000831337907 654179231 /nfs/dbraw/zinc/17/92/31/654179231.db2.gz ARVOFDMTMLZUKN-UHFFFAOYSA-N 1 2 380.253 2.442 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1Cl ZINC000831337907 654179236 /nfs/dbraw/zinc/17/92/36/654179236.db2.gz ARVOFDMTMLZUKN-UHFFFAOYSA-N 1 2 380.253 2.442 20 5 GEBDLO CO[C@@H]1CC[C@@H]1[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000902637187 654189811 /nfs/dbraw/zinc/18/98/11/654189811.db2.gz GOICYCXHPRMDRS-GXTWGEPZSA-N 1 2 384.230 2.380 20 5 GEBDLO CO[C@@H]1CC[C@@H]1[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000902637187 654189815 /nfs/dbraw/zinc/18/98/15/654189815.db2.gz GOICYCXHPRMDRS-GXTWGEPZSA-N 1 2 384.230 2.380 20 5 GEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000832522897 654271626 /nfs/dbraw/zinc/27/16/26/654271626.db2.gz CAJTXZZJQYBZFI-SNVBAGLBSA-N 1 2 379.841 2.492 20 5 GEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729697 720389424 /nfs/dbraw/zinc/38/94/24/720389424.db2.gz VMOWDVXKVVNAQI-KBPBESRZSA-N 1 2 375.816 2.130 20 5 GEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729697 720389425 /nfs/dbraw/zinc/38/94/25/720389425.db2.gz VMOWDVXKVVNAQI-KBPBESRZSA-N 1 2 375.816 2.130 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001165012000 721719118 /nfs/dbraw/zinc/71/91/18/721719118.db2.gz XZEDAHMUMNCQAK-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001165012000 721719126 /nfs/dbraw/zinc/71/91/26/721719126.db2.gz XZEDAHMUMNCQAK-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO O=[N+]([O-])c1cc(Br)cnc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000474786262 531282726 /nfs/dbraw/zinc/28/27/26/531282726.db2.gz YOJJIVMOZGRPCA-UHFFFAOYSA-N 1 2 397.233 2.025 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000053673376 531770135 /nfs/dbraw/zinc/77/01/35/531770135.db2.gz CKLRNPGTFWKKPK-UHFFFAOYSA-N 1 2 385.442 2.132 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c(F)c1 ZINC000053673376 531770138 /nfs/dbraw/zinc/77/01/38/531770138.db2.gz CKLRNPGTFWKKPK-UHFFFAOYSA-N 1 2 385.442 2.132 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174491284 532066130 /nfs/dbraw/zinc/06/61/30/532066130.db2.gz FQAQRTMEKINVJF-CYBMUJFWSA-N 1 2 398.257 2.294 20 5 GEBDLO O=C1NCCN1C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000127634447 532156012 /nfs/dbraw/zinc/15/60/12/532156012.db2.gz KGXDMOSUKBRWFB-UHFFFAOYSA-N 1 2 383.246 2.347 20 5 GEBDLO C[C@@H]1C[N@@H+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179605033 532238416 /nfs/dbraw/zinc/23/84/16/532238416.db2.gz OTVSFLFBIXMDQT-TXEJJXNPSA-N 1 2 391.515 2.361 20 5 GEBDLO C[C@@H]1C[N@H+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179605033 532238421 /nfs/dbraw/zinc/23/84/21/532238421.db2.gz OTVSFLFBIXMDQT-TXEJJXNPSA-N 1 2 391.515 2.361 20 5 GEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000182993892 532320591 /nfs/dbraw/zinc/32/05/91/532320591.db2.gz NRKXXFZGISJVQM-CYBMUJFWSA-N 1 2 385.873 2.320 20 5 GEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000182993892 532320592 /nfs/dbraw/zinc/32/05/92/532320592.db2.gz NRKXXFZGISJVQM-CYBMUJFWSA-N 1 2 385.873 2.320 20 5 GEBDLO CC[N@@H+]1CCN(c2c(I)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000591367000 532409629 /nfs/dbraw/zinc/40/96/29/532409629.db2.gz INFWWWIIXDGMOV-VIFPVBQESA-N 1 2 376.198 2.125 20 5 GEBDLO CC[N@H+]1CCN(c2c(I)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000591367000 532409639 /nfs/dbraw/zinc/40/96/39/532409639.db2.gz INFWWWIIXDGMOV-VIFPVBQESA-N 1 2 376.198 2.125 20 5 GEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(CC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000373957325 532482073 /nfs/dbraw/zinc/48/20/73/532482073.db2.gz UKFODFLSXPIZMH-ZDUSSCGKSA-N 1 2 399.289 2.176 20 5 GEBDLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375411359 532556107 /nfs/dbraw/zinc/55/61/07/532556107.db2.gz QAVSRFQVUACOSP-RKDXNWHRSA-N 1 2 396.163 2.453 20 5 GEBDLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375411359 532556110 /nfs/dbraw/zinc/55/61/10/532556110.db2.gz QAVSRFQVUACOSP-RKDXNWHRSA-N 1 2 396.163 2.453 20 5 GEBDLO Cn1cc[nH+]c1CN1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596116068 532587145 /nfs/dbraw/zinc/58/71/45/532587145.db2.gz RYASIDRNNGUKNL-UHFFFAOYSA-N 1 2 380.246 2.413 20 5 GEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000539173406 532725274 /nfs/dbraw/zinc/72/52/74/532725274.db2.gz QQHPHXKQKBFBMV-UHFFFAOYSA-N 1 2 378.332 2.141 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000285917038 532719020 /nfs/dbraw/zinc/71/90/20/532719020.db2.gz HUKYUVDXGWNDCC-SNVBAGLBSA-N 1 2 375.809 2.022 20 5 GEBDLO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000267497868 532742258 /nfs/dbraw/zinc/74/22/58/532742258.db2.gz ZEJXBQUQMVLDBE-NHYWBVRUSA-N 1 2 398.257 2.150 20 5 GEBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000542258328 532768781 /nfs/dbraw/zinc/76/87/81/532768781.db2.gz RHQRNRINGYDSKR-NSHDSACASA-N 1 2 378.397 2.157 20 5 GEBDLO COc1cc(C[N@H+]2CCSC[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000542258328 532768784 /nfs/dbraw/zinc/76/87/84/532768784.db2.gz RHQRNRINGYDSKR-NSHDSACASA-N 1 2 378.397 2.157 20 5 GEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000330631204 532823266 /nfs/dbraw/zinc/82/32/66/532823266.db2.gz FJJIDPGUNKDRNZ-UWVGGRQHSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000330631204 532823268 /nfs/dbraw/zinc/82/32/68/532823268.db2.gz FJJIDPGUNKDRNZ-UWVGGRQHSA-N 1 2 381.376 2.327 20 5 GEBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000289768914 532864317 /nfs/dbraw/zinc/86/43/17/532864317.db2.gz KEYLYJRWGLRNPK-JTQLQIEISA-N 1 2 376.194 2.404 20 5 GEBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000289768914 532864320 /nfs/dbraw/zinc/86/43/20/532864320.db2.gz KEYLYJRWGLRNPK-JTQLQIEISA-N 1 2 376.194 2.404 20 5 GEBDLO Cc1nn(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1Br ZINC000369084019 532936803 /nfs/dbraw/zinc/93/68/03/532936803.db2.gz KYIRTECXISFSRZ-UHFFFAOYSA-N 1 2 383.250 2.433 20 5 GEBDLO COc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c([N+](=O)[O-])cc1OC ZINC000737045819 598314373 /nfs/dbraw/zinc/31/43/73/598314373.db2.gz OJVFSGIQJQWATQ-UHFFFAOYSA-N 1 2 388.359 2.221 20 5 GEBDLO COc1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000821821740 599488364 /nfs/dbraw/zinc/48/83/64/599488364.db2.gz UPAJLMSUJYFMGZ-UHFFFAOYSA-N 1 2 377.364 2.366 20 5 GEBDLO O=[N+]([O-])c1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1-c1nn[nH]n1 ZINC000823634233 606645261 /nfs/dbraw/zinc/64/52/61/606645261.db2.gz FCSVGLWWAUJGKQ-GOSISDBHSA-N 1 2 395.423 2.260 20 5 GEBDLO O=[N+]([O-])c1cc(NCc2cccc(C[NH+]3CCOCC3)c2)ccc1-c1nn[nH]n1 ZINC000823634523 606646237 /nfs/dbraw/zinc/64/62/37/606646237.db2.gz JKPUXGLMLJLKJY-UHFFFAOYSA-N 1 2 395.423 2.219 20 5 GEBDLO C[NH+](C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000821581776 606710448 /nfs/dbraw/zinc/71/04/48/606710448.db2.gz UTRSALZRILTCSM-GFCCVEGCSA-N 1 2 390.354 2.163 20 5 GEBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000823620508 607161196 /nfs/dbraw/zinc/16/11/96/607161196.db2.gz MJGORNWMDBGJMT-DAXSKMNVSA-N 1 2 392.423 2.005 20 5 GEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826409645 608173512 /nfs/dbraw/zinc/17/35/12/608173512.db2.gz IVGZEUCYAICDJW-UHFFFAOYSA-N 1 2 393.407 2.378 20 5 GEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826409645 608173514 /nfs/dbraw/zinc/17/35/14/608173514.db2.gz IVGZEUCYAICDJW-UHFFFAOYSA-N 1 2 393.407 2.378 20 5 GEBDLO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826499883 608517306 /nfs/dbraw/zinc/51/73/06/608517306.db2.gz CKLWPXNLKQJPCL-HYXAFXHYSA-N 1 2 392.423 2.005 20 5 GEBDLO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826499882 608517576 /nfs/dbraw/zinc/51/75/76/608517576.db2.gz CKLWPXNLKQJPCL-HWKANZROSA-N 1 2 392.423 2.005 20 5 GEBDLO COc1cc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])cc1OC ZINC000826178731 608526920 /nfs/dbraw/zinc/52/69/20/608526920.db2.gz JUIFTBFIZQFKPA-UHFFFAOYSA-N 1 2 384.396 2.424 20 5 GEBDLO COc1cc(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])cc1OC ZINC000826178731 608526922 /nfs/dbraw/zinc/52/69/22/608526922.db2.gz JUIFTBFIZQFKPA-UHFFFAOYSA-N 1 2 384.396 2.424 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000511255664 650530735 /nfs/dbraw/zinc/53/07/35/650530735.db2.gz AOCXHIYQUXCJNQ-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000511255664 650530738 /nfs/dbraw/zinc/53/07/38/650530738.db2.gz AOCXHIYQUXCJNQ-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000288666227 646922540 /nfs/dbraw/zinc/92/25/40/646922540.db2.gz ALBHYSVKMHJYDU-AAEUAGOBSA-N 1 2 398.257 2.293 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC000295445751 647232243 /nfs/dbraw/zinc/23/22/43/647232243.db2.gz PDARFFGLKGQAPZ-NSHDSACASA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC000295445751 647232246 /nfs/dbraw/zinc/23/22/46/647232246.db2.gz PDARFFGLKGQAPZ-NSHDSACASA-N 1 2 399.220 2.112 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000416453530 648129742 /nfs/dbraw/zinc/12/97/42/648129742.db2.gz QXGKREXUTHYSGR-ZJUUUORDSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000416453530 648129745 /nfs/dbraw/zinc/12/97/45/648129745.db2.gz QXGKREXUTHYSGR-ZJUUUORDSA-N 1 2 381.376 2.327 20 5 GEBDLO CC[N@@H+]1CCCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418865516 648319481 /nfs/dbraw/zinc/31/94/81/648319481.db2.gz MKZVDPWAKWDQQG-UHFFFAOYSA-N 1 2 376.198 2.126 20 5 GEBDLO CC[N@H+]1CCCN(c2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418865516 648319483 /nfs/dbraw/zinc/31/94/83/648319483.db2.gz MKZVDPWAKWDQQG-UHFFFAOYSA-N 1 2 376.198 2.126 20 5 GEBDLO C[C@H]1C[C@H](Nc2c(I)cncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000418890640 648321608 /nfs/dbraw/zinc/32/16/08/648321608.db2.gz WLFYDJRRXKPKJI-IUCAKERBSA-N 1 2 388.209 2.053 20 5 GEBDLO C[C@H]1C[C@H](Nc2c(I)cncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000418890640 648321611 /nfs/dbraw/zinc/32/16/11/648321611.db2.gz WLFYDJRRXKPKJI-IUCAKERBSA-N 1 2 388.209 2.053 20 5 GEBDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccsc1 ZINC000594748529 652680350 /nfs/dbraw/zinc/68/03/50/652680350.db2.gz MBHSCVWYNBEFPD-AWEZNQCLSA-N 1 2 384.483 2.413 20 5 GEBDLO Cn1c[nH+]cc1COC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000765951927 652859788 /nfs/dbraw/zinc/85/97/88/652859788.db2.gz WIIDSJNOUVMGLJ-UHFFFAOYSA-N 1 2 387.133 2.290 20 5 GEBDLO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000769468711 653158626 /nfs/dbraw/zinc/15/86/26/653158626.db2.gz MWLKWVKGSICZNJ-LLVKDONJSA-N 1 2 377.260 2.224 20 5 GEBDLO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000769468711 653158634 /nfs/dbraw/zinc/15/86/34/653158634.db2.gz MWLKWVKGSICZNJ-LLVKDONJSA-N 1 2 377.260 2.224 20 5 GEBDLO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000770330908 653209972 /nfs/dbraw/zinc/20/99/72/653209972.db2.gz CTBXACHYRWKYRR-CQSZACIVSA-N 1 2 387.230 2.103 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000770717747 653222568 /nfs/dbraw/zinc/22/25/68/653222568.db2.gz YKLLRNGIBYEXAT-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000770717747 653222572 /nfs/dbraw/zinc/22/25/72/653222572.db2.gz YKLLRNGIBYEXAT-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000770723779 653222582 /nfs/dbraw/zinc/22/25/82/653222582.db2.gz RIJXOZUXYJOJEH-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000770723779 653222592 /nfs/dbraw/zinc/22/25/92/653222592.db2.gz RIJXOZUXYJOJEH-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989622 653642144 /nfs/dbraw/zinc/64/21/44/653642144.db2.gz QZDPCJOIJHDAPV-SNVBAGLBSA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989622 653642145 /nfs/dbraw/zinc/64/21/45/653642145.db2.gz QZDPCJOIJHDAPV-SNVBAGLBSA-N 1 2 379.841 2.398 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842627830 653761119 /nfs/dbraw/zinc/76/11/19/653761119.db2.gz YRERMQXYQWFJJO-BMIGLBTASA-N 1 2 396.241 2.381 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000842627830 653761125 /nfs/dbraw/zinc/76/11/25/653761125.db2.gz YRERMQXYQWFJJO-BMIGLBTASA-N 1 2 396.241 2.381 20 5 GEBDLO O=C1N=NCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000846881266 653911992 /nfs/dbraw/zinc/91/19/92/653911992.db2.gz ADURRGLJCSXOMW-UHFFFAOYSA-N 1 2 382.218 2.492 20 5 GEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000868264431 654025865 /nfs/dbraw/zinc/02/58/65/654025865.db2.gz MBKFNCJZOGSFRF-LLVKDONJSA-N 1 2 379.214 2.228 20 5 GEBDLO CC(C)(C)SCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000801909674 654211826 /nfs/dbraw/zinc/21/18/26/654211826.db2.gz GPLXWIUUYXADIV-UHFFFAOYSA-N 1 2 387.527 2.433 20 5 GEBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853308686 654291583 /nfs/dbraw/zinc/29/15/83/654291583.db2.gz SCIQZXHOTCYXHF-UHFFFAOYSA-N 1 2 377.413 2.453 20 5 GEBDLO Cc1nc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165010319 721694545 /nfs/dbraw/zinc/69/45/45/721694545.db2.gz VKUBWSSMWMJBTC-UHFFFAOYSA-N 1 2 394.867 2.189 20 5 GEBDLO Cc1nc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165010319 721694550 /nfs/dbraw/zinc/69/45/50/721694550.db2.gz VKUBWSSMWMJBTC-UHFFFAOYSA-N 1 2 394.867 2.189 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000026839683 531619237 /nfs/dbraw/zinc/61/92/37/531619237.db2.gz MLBTXLWSGHYCLD-GFCCVEGCSA-N 1 2 381.479 2.381 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000026839683 531619242 /nfs/dbraw/zinc/61/92/42/531619242.db2.gz MLBTXLWSGHYCLD-GFCCVEGCSA-N 1 2 381.479 2.381 20 5 GEBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000159703266 531789516 /nfs/dbraw/zinc/78/95/16/531789516.db2.gz HMQRVQBZTXFTRT-UHFFFAOYSA-N 1 2 382.873 2.289 20 5 GEBDLO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000159703266 531789524 /nfs/dbraw/zinc/78/95/24/531789524.db2.gz HMQRVQBZTXFTRT-UHFFFAOYSA-N 1 2 382.873 2.289 20 5 GEBDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000055580110 531794418 /nfs/dbraw/zinc/79/44/18/531794418.db2.gz ULHOWWDSXJOAJK-TXEJJXNPSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000055580110 531794425 /nfs/dbraw/zinc/79/44/25/531794425.db2.gz ULHOWWDSXJOAJK-TXEJJXNPSA-N 1 2 391.877 2.026 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000171884234 531922358 /nfs/dbraw/zinc/92/23/58/531922358.db2.gz BILIWPVMNLFFJW-UHFFFAOYSA-N 1 2 375.397 2.266 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC[N@H+](C2CC2)CC1 ZINC000171884234 531922362 /nfs/dbraw/zinc/92/23/62/531922362.db2.gz BILIWPVMNLFFJW-UHFFFAOYSA-N 1 2 375.397 2.266 20 5 GEBDLO CC(C)OCC[NH+]1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129213010 532174693 /nfs/dbraw/zinc/17/46/93/532174693.db2.gz XHWAFVGAKNXESV-UHFFFAOYSA-N 1 2 391.515 2.361 20 5 GEBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000565273826 532556048 /nfs/dbraw/zinc/55/60/48/532556048.db2.gz MFSXRPLVDXOYDF-JTQLQIEISA-N 1 2 390.177 2.194 20 5 GEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000565273826 532556049 /nfs/dbraw/zinc/55/60/49/532556049.db2.gz MFSXRPLVDXOYDF-JTQLQIEISA-N 1 2 390.177 2.194 20 5 GEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000284317701 532585644 /nfs/dbraw/zinc/58/56/44/532585644.db2.gz AYNDJYQZGVFLRK-KGLIPLIRSA-N 1 2 385.873 2.272 20 5 GEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000284317701 532585653 /nfs/dbraw/zinc/58/56/53/532585653.db2.gz AYNDJYQZGVFLRK-KGLIPLIRSA-N 1 2 385.873 2.272 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)CO1 ZINC000598001361 532636223 /nfs/dbraw/zinc/63/62/23/532636223.db2.gz ZVKAPVASPJJCRQ-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)CO1 ZINC000598001361 532636229 /nfs/dbraw/zinc/63/62/29/532636229.db2.gz ZVKAPVASPJJCRQ-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO CN(C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)S(C)(=O)=O ZINC000285468483 532683376 /nfs/dbraw/zinc/68/33/76/532683376.db2.gz BTPFTMIQVLRAEI-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)S(C)(=O)=O ZINC000285468483 532683383 /nfs/dbraw/zinc/68/33/83/532683383.db2.gz BTPFTMIQVLRAEI-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000569278083 532693350 /nfs/dbraw/zinc/69/33/50/532693350.db2.gz QSAAPWHKVVUULF-JTQLQIEISA-N 1 2 387.234 2.049 20 5 GEBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000569278083 532693354 /nfs/dbraw/zinc/69/33/54/532693354.db2.gz QSAAPWHKVVUULF-JTQLQIEISA-N 1 2 387.234 2.049 20 5 GEBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000569278085 532694074 /nfs/dbraw/zinc/69/40/74/532694074.db2.gz QSAAPWHKVVUULF-SNVBAGLBSA-N 1 2 387.234 2.049 20 5 GEBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000569278085 532694077 /nfs/dbraw/zinc/69/40/77/532694077.db2.gz QSAAPWHKVVUULF-SNVBAGLBSA-N 1 2 387.234 2.049 20 5 GEBDLO CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000301379351 532750209 /nfs/dbraw/zinc/75/02/09/532750209.db2.gz ZIGVBHTXDWGLQY-JTQLQIEISA-N 1 2 381.376 2.419 20 5 GEBDLO CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000301379351 532750213 /nfs/dbraw/zinc/75/02/13/532750213.db2.gz ZIGVBHTXDWGLQY-JTQLQIEISA-N 1 2 381.376 2.419 20 5 GEBDLO Cc1ccsc1C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000505853658 532750566 /nfs/dbraw/zinc/75/05/66/532750566.db2.gz QVWCTNZUCBMBOS-UHFFFAOYSA-N 1 2 381.479 2.471 20 5 GEBDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000548676760 532793289 /nfs/dbraw/zinc/79/32/89/532793289.db2.gz ATCAATYFTYZGTM-ZDUSSCGKSA-N 1 2 385.262 2.299 20 5 GEBDLO C[N@H+]1CCO[C@H](CN(CC2CC2)c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000548676760 532793292 /nfs/dbraw/zinc/79/32/92/532793292.db2.gz ATCAATYFTYZGTM-ZDUSSCGKSA-N 1 2 385.262 2.299 20 5 GEBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290061859 532871837 /nfs/dbraw/zinc/87/18/37/532871837.db2.gz SPKMMGMBRJRMHP-SECBINFHSA-N 1 2 382.269 2.402 20 5 GEBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290061859 532871838 /nfs/dbraw/zinc/87/18/38/532871838.db2.gz SPKMMGMBRJRMHP-SECBINFHSA-N 1 2 382.269 2.402 20 5 GEBDLO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420946301 532887798 /nfs/dbraw/zinc/88/77/98/532887798.db2.gz SGDBWLRUXDLGLK-MNOVXSKESA-N 1 2 386.246 2.246 20 5 GEBDLO C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420946301 532887801 /nfs/dbraw/zinc/88/78/01/532887801.db2.gz SGDBWLRUXDLGLK-MNOVXSKESA-N 1 2 386.246 2.246 20 5 GEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737117528 598253084 /nfs/dbraw/zinc/25/30/84/598253084.db2.gz YFXCIWBNYRFIRP-UHFFFAOYSA-N 1 2 395.423 2.106 20 5 GEBDLO COc1ccccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000737149359 598551287 /nfs/dbraw/zinc/55/12/87/598551287.db2.gz GYVRTCNULHIFFM-UHFFFAOYSA-N 1 2 395.423 2.106 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501087830 650387906 /nfs/dbraw/zinc/38/79/06/650387906.db2.gz ZGAVWPPEDOXUHG-SNVBAGLBSA-N 1 2 387.234 2.200 20 5 GEBDLO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccn(C)n1 ZINC000459796933 650432848 /nfs/dbraw/zinc/43/28/48/650432848.db2.gz ROSPPNOAEXWDBW-VIFPVBQESA-N 1 2 382.218 2.380 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)C[N@@H+]1C ZINC000507907278 650469526 /nfs/dbraw/zinc/46/95/26/650469526.db2.gz UPOZRDJYKFZOMZ-ZJUUUORDSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)C[N@H+]1C ZINC000507907278 650469528 /nfs/dbraw/zinc/46/95/28/650469528.db2.gz UPOZRDJYKFZOMZ-ZJUUUORDSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000507950911 650470351 /nfs/dbraw/zinc/47/03/51/650470351.db2.gz LRZITFPGQFYPGC-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000507950911 650470352 /nfs/dbraw/zinc/47/03/52/650470352.db2.gz LRZITFPGQFYPGC-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000507981712 650471710 /nfs/dbraw/zinc/47/17/10/650471710.db2.gz CQOKRQIYLZDMEJ-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000507981712 650471711 /nfs/dbraw/zinc/47/17/11/650471711.db2.gz CQOKRQIYLZDMEJ-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000192670637 645220331 /nfs/dbraw/zinc/22/03/31/645220331.db2.gz KQTNHNAJXAWJJH-LBPRGKRZSA-N 1 2 381.479 2.381 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000192670637 645220341 /nfs/dbraw/zinc/22/03/41/645220341.db2.gz KQTNHNAJXAWJJH-LBPRGKRZSA-N 1 2 381.479 2.381 20 5 GEBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cn1 ZINC000568984985 651693952 /nfs/dbraw/zinc/69/39/52/651693952.db2.gz MGIKWKPDMHYJFJ-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cn1 ZINC000568984985 651693958 /nfs/dbraw/zinc/69/39/58/651693958.db2.gz MGIKWKPDMHYJFJ-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611083534 651704985 /nfs/dbraw/zinc/70/49/85/651704985.db2.gz DHIQRGRHJRTJSA-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611083534 651704990 /nfs/dbraw/zinc/70/49/90/651704990.db2.gz DHIQRGRHJRTJSA-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO Cc1c(Br)c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000612444746 651757202 /nfs/dbraw/zinc/75/72/02/651757202.db2.gz MQVNVLOISQTLGP-WCQYABFASA-N 1 2 385.262 2.096 20 5 GEBDLO Cc1cc(Br)cn2cc(CCNc3ncc([N+](=O)[O-])cn3)[nH+]c12 ZINC000570806345 651792955 /nfs/dbraw/zinc/79/29/55/651792955.db2.gz AZEJTMXBIZIRFF-UHFFFAOYSA-N 1 2 377.202 2.758 20 5 GEBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597997135 652796621 /nfs/dbraw/zinc/79/66/21/652796621.db2.gz MBBWZDWEBDUDDK-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597997135 652796622 /nfs/dbraw/zinc/79/66/22/652796622.db2.gz MBBWZDWEBDUDDK-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000598974039 652843068 /nfs/dbraw/zinc/84/30/68/652843068.db2.gz OWJDULSXIRTHGB-LBPRGKRZSA-N 1 2 398.257 2.294 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)C[N@@H+]1C ZINC000768564512 653117865 /nfs/dbraw/zinc/11/78/65/653117865.db2.gz ZTZDGBKRCOOYQW-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)C[N@H+]1C ZINC000768564512 653117869 /nfs/dbraw/zinc/11/78/69/653117869.db2.gz ZTZDGBKRCOOYQW-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768564508 653117908 /nfs/dbraw/zinc/11/79/08/653117908.db2.gz ZTZDGBKRCOOYQW-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768564508 653117913 /nfs/dbraw/zinc/11/79/13/653117913.db2.gz ZTZDGBKRCOOYQW-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000857881117 653341868 /nfs/dbraw/zinc/34/18/68/653341868.db2.gz QMBJEOYHLXHVFM-UMVBOHGHSA-N 1 2 382.258 2.324 20 5 GEBDLO Cc1cccc(NCCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH+]1 ZINC000815022754 653644926 /nfs/dbraw/zinc/64/49/26/653644926.db2.gz YMBPFTVQFHDQGJ-UHFFFAOYSA-N 1 2 388.808 2.481 20 5 GEBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815027861 653645641 /nfs/dbraw/zinc/64/56/41/653645641.db2.gz XWAWHLXYELVPEZ-SECBINFHSA-N 1 2 388.808 2.299 20 5 GEBDLO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCn2cc[nH+]c2C1 ZINC000881863839 653744327 /nfs/dbraw/zinc/74/43/27/653744327.db2.gz GZXWDLBZKKEAGD-SNVBAGLBSA-N 1 2 379.214 2.433 20 5 GEBDLO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCc2[nH+]ccn2C1 ZINC000881863742 653744365 /nfs/dbraw/zinc/74/43/65/653744365.db2.gz DGRNYYZDNKXJLJ-NSHDSACASA-N 1 2 379.214 2.433 20 5 GEBDLO C[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000881864175 653744494 /nfs/dbraw/zinc/74/44/94/653744494.db2.gz MLXBMGLQKBQCON-JTQLQIEISA-N 1 2 388.287 2.411 20 5 GEBDLO CN(CC[NH+]1CC2(C1)CCOCC2)c1c(Br)cncc1[N+](=O)[O-] ZINC000866257467 653789483 /nfs/dbraw/zinc/78/94/83/653789483.db2.gz HZEMCNKNWGZIPD-UHFFFAOYSA-N 1 2 385.262 2.301 20 5 GEBDLO Nc1n[nH]c(C2CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)n1 ZINC000821270714 653793463 /nfs/dbraw/zinc/79/34/63/653793463.db2.gz NPEVSMDRXMQWKY-UHFFFAOYSA-N 1 2 381.234 2.437 20 5 GEBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cnc(Br)cn1)OCCO2 ZINC000895408986 653833249 /nfs/dbraw/zinc/83/32/49/653833249.db2.gz PTZZEOKIBOKFEV-UHFFFAOYSA-N 1 2 381.186 2.208 20 5 GEBDLO C[C@H](CC(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845445608 653848600 /nfs/dbraw/zinc/84/86/00/653848600.db2.gz QSARXIBXIBDCRV-SNVBAGLBSA-N 1 2 386.817 2.243 20 5 GEBDLO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@@H+]1CCO ZINC000897454963 653922465 /nfs/dbraw/zinc/92/24/65/653922465.db2.gz JTNBCWFNJBXBRF-MRVPVSSYSA-N 1 2 380.203 2.179 20 5 GEBDLO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1CCO ZINC000897454963 653922470 /nfs/dbraw/zinc/92/24/70/653922470.db2.gz JTNBCWFNJBXBRF-MRVPVSSYSA-N 1 2 380.203 2.179 20 5 GEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000867537663 653948090 /nfs/dbraw/zinc/94/80/90/653948090.db2.gz OUIBWMDHYOYHEN-LLVKDONJSA-N 1 2 379.214 2.228 20 5 GEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000832523965 654271793 /nfs/dbraw/zinc/27/17/93/654271793.db2.gz JOFNWFYXPNHQKN-SNVBAGLBSA-N 1 2 379.841 2.492 20 5 GEBDLO C[S@@](=O)CC[NH+]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892657518 654356261 /nfs/dbraw/zinc/35/62/61/654356261.db2.gz NPNOGOMZGVKGKB-RUZDIDTESA-N 1 2 382.873 2.297 20 5 GEBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)[nH]1 ZINC000894773409 654498436 /nfs/dbraw/zinc/49/84/36/654498436.db2.gz GXBWBTGMAWAZPL-SSDOTTSWSA-N 1 2 387.181 2.477 20 5 GEBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000031790719 531645991 /nfs/dbraw/zinc/64/59/91/531645991.db2.gz JIJXKUCZXUFOOL-UHFFFAOYSA-N 1 2 380.246 2.413 20 5 GEBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092188537 531926013 /nfs/dbraw/zinc/92/60/13/531926013.db2.gz YYMSVRZEXCPTIX-GFCCVEGCSA-N 1 2 383.246 2.347 20 5 GEBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092188537 531926016 /nfs/dbraw/zinc/92/60/16/531926016.db2.gz YYMSVRZEXCPTIX-GFCCVEGCSA-N 1 2 383.246 2.347 20 5 GEBDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172715923 531965783 /nfs/dbraw/zinc/96/57/83/531965783.db2.gz RYJFCCMQLCRODM-UHFFFAOYSA-N 1 2 396.245 2.433 20 5 GEBDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172715923 531965786 /nfs/dbraw/zinc/96/57/86/531965786.db2.gz RYJFCCMQLCRODM-UHFFFAOYSA-N 1 2 396.245 2.433 20 5 GEBDLO C[C@H]([C@H](C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000120855709 531998714 /nfs/dbraw/zinc/99/87/14/531998714.db2.gz QJWKLBYLCGICIO-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C2 ZINC000121352630 532024579 /nfs/dbraw/zinc/02/45/79/532024579.db2.gz PYVHDDATWNGSIA-LLVKDONJSA-N 1 2 384.845 2.355 20 5 GEBDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000122588221 532075485 /nfs/dbraw/zinc/07/54/85/532075485.db2.gz UPSFAHAJKHFPHH-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO Cc1sc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000123027267 532090257 /nfs/dbraw/zinc/09/02/57/532090257.db2.gz VGFUKNFKXDVVOT-UHFFFAOYSA-N 1 2 382.467 2.438 20 5 GEBDLO O=C(CSc1ccc([N+](=O)[O-])cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000178765533 532212306 /nfs/dbraw/zinc/21/23/06/532212306.db2.gz DTBRFSUUTPJJAA-UHFFFAOYSA-N 1 2 378.479 2.488 20 5 GEBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136601069 532285543 /nfs/dbraw/zinc/28/55/43/532285543.db2.gz MJRBCNRFKJYQKV-INIZCTEOSA-N 1 2 385.873 2.186 20 5 GEBDLO CO[C@H](C)c1nc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000562990416 532492775 /nfs/dbraw/zinc/49/27/75/532492775.db2.gz XZLQUFDZUGWAAO-LLVKDONJSA-N 1 2 385.467 2.322 20 5 GEBDLO COc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c([N+](=O)[O-])cc1OC ZINC000469243730 532498222 /nfs/dbraw/zinc/49/82/22/532498222.db2.gz URTSISWOHQSEQA-UHFFFAOYSA-N 1 2 386.451 2.367 20 5 GEBDLO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000433000700 532552917 /nfs/dbraw/zinc/55/29/17/532552917.db2.gz GDQQVOSIRPKDNJ-SNVBAGLBSA-N 1 2 394.229 2.461 20 5 GEBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(Br)c(C)[nH+]1 ZINC000596075112 532585433 /nfs/dbraw/zinc/58/54/33/532585433.db2.gz ZDQNGOKQVTVMKX-UHFFFAOYSA-N 1 2 393.245 2.486 20 5 GEBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000302844778 532775346 /nfs/dbraw/zinc/77/53/46/532775346.db2.gz PYBHMZRWULBVSH-UHFFFAOYSA-N 1 2 399.289 2.348 20 5 GEBDLO CSC1(C[NH+]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000289089458 532846951 /nfs/dbraw/zinc/84/69/51/532846951.db2.gz LEFFAFXHOWPVDW-UHFFFAOYSA-N 1 2 385.511 2.016 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000290711431 532887336 /nfs/dbraw/zinc/88/73/36/532887336.db2.gz JKWGEGDUAWVQPD-UHFFFAOYSA-N 1 2 377.825 2.246 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C2 ZINC000367144479 532922869 /nfs/dbraw/zinc/92/28/69/532922869.db2.gz OEVOFMSVHYCEBP-VIFPVBQESA-N 1 2 388.808 2.186 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308557 532947444 /nfs/dbraw/zinc/94/74/44/532947444.db2.gz PRRVLAFTQHOGFI-SNVBAGLBSA-N 1 2 379.214 2.297 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308557 532947445 /nfs/dbraw/zinc/94/74/45/532947445.db2.gz PRRVLAFTQHOGFI-SNVBAGLBSA-N 1 2 379.214 2.297 20 5 GEBDLO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(-c2nn[nH]n2)c1 ZINC000823639746 599380024 /nfs/dbraw/zinc/38/00/24/599380024.db2.gz GWSQGOKJCOIGHQ-SFHVURJKSA-N 1 2 395.423 2.260 20 5 GEBDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920361 606621367 /nfs/dbraw/zinc/62/13/67/606621367.db2.gz PGNRKWWSENEIRI-JKSUJKDBSA-N 1 2 381.396 2.042 20 5 GEBDLO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826500072 608509345 /nfs/dbraw/zinc/50/93/45/608509345.db2.gz KAYSCIYZZOVJNK-GQCTYLIASA-N 1 2 392.423 2.005 20 5 GEBDLO O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1cccc2[nH+]ccn21 ZINC000826451130 609238155 /nfs/dbraw/zinc/23/81/55/609238155.db2.gz RDVDRNBAFFMJTF-UHFFFAOYSA-N 1 2 384.743 2.328 20 5 GEBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccn(C)n1 ZINC000459796931 650432740 /nfs/dbraw/zinc/43/27/40/650432740.db2.gz ROSPPNOAEXWDBW-SECBINFHSA-N 1 2 382.218 2.380 20 5 GEBDLO CCc1ncc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000421385110 648489407 /nfs/dbraw/zinc/48/94/07/648489407.db2.gz NBBSXYBBBBILJK-UHFFFAOYSA-N 1 2 384.483 2.024 20 5 GEBDLO CCc1ncc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000421385110 648489409 /nfs/dbraw/zinc/48/94/09/648489409.db2.gz NBBSXYBBBBILJK-UHFFFAOYSA-N 1 2 384.483 2.024 20 5 GEBDLO C[C@H]1C[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000600091835 652902923 /nfs/dbraw/zinc/90/29/23/652902923.db2.gz LLRAMZUHDVMJAY-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000600091835 652902926 /nfs/dbraw/zinc/90/29/26/652902926.db2.gz LLRAMZUHDVMJAY-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000768560062 653117379 /nfs/dbraw/zinc/11/73/79/653117379.db2.gz AYLBGJLYKWYTER-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000768560062 653117385 /nfs/dbraw/zinc/11/73/85/653117385.db2.gz AYLBGJLYKWYTER-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000768560845 653117616 /nfs/dbraw/zinc/11/76/16/653117616.db2.gz GHNXHXLWXFUTSX-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000768560845 653117619 /nfs/dbraw/zinc/11/76/19/653117619.db2.gz GHNXHXLWXFUTSX-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000770716732 653222250 /nfs/dbraw/zinc/22/22/50/653222250.db2.gz LGQDLTOAXGITJI-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000770716732 653222254 /nfs/dbraw/zinc/22/22/54/653222254.db2.gz LGQDLTOAXGITJI-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000836476440 653355197 /nfs/dbraw/zinc/35/51/97/653355197.db2.gz BMQAVGHNQQUVJK-TXEJJXNPSA-N 1 2 399.245 2.342 20 5 GEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000836476440 653355203 /nfs/dbraw/zinc/35/52/03/653355203.db2.gz BMQAVGHNQQUVJK-TXEJJXNPSA-N 1 2 399.245 2.342 20 5 GEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@H]1CCc3ncnn31)CC2 ZINC000878570614 653641567 /nfs/dbraw/zinc/64/15/67/653641567.db2.gz BHFJJGMJIOGXTM-SNVBAGLBSA-N 1 2 378.230 2.494 20 5 GEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@H]1CCc3ncnn31)CC2 ZINC000878570614 653641569 /nfs/dbraw/zinc/64/15/69/653641569.db2.gz BHFJJGMJIOGXTM-SNVBAGLBSA-N 1 2 378.230 2.494 20 5 GEBDLO O=C1NCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839467022 653650373 /nfs/dbraw/zinc/65/03/73/653650373.db2.gz NGSMHJCFTRQMMG-UHFFFAOYSA-N 1 2 383.246 2.347 20 5 GEBDLO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Br)n1 ZINC000862247166 653681501 /nfs/dbraw/zinc/68/15/01/653681501.db2.gz RYJNOKWZNMYHKB-LLVKDONJSA-N 1 2 381.234 2.172 20 5 GEBDLO Cn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Br)n1 ZINC000862247166 653681503 /nfs/dbraw/zinc/68/15/03/653681503.db2.gz RYJNOKWZNMYHKB-LLVKDONJSA-N 1 2 381.234 2.172 20 5 GEBDLO Cn1nnnc1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000879916234 653686979 /nfs/dbraw/zinc/68/69/79/653686979.db2.gz AAFMGAXHYLOEAS-UHFFFAOYSA-N 1 2 381.234 2.260 20 5 GEBDLO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000882017102 653757478 /nfs/dbraw/zinc/75/74/78/653757478.db2.gz FHIRLIQAKQHCHF-LLVKDONJSA-N 1 2 384.845 2.468 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCc2[nH+]c[nH]c2C1 ZINC000820580806 653777309 /nfs/dbraw/zinc/77/73/09/653777309.db2.gz DRVNLHFIHNVODZ-UHFFFAOYSA-N 1 2 376.316 2.174 20 5 GEBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000804337835 654306149 /nfs/dbraw/zinc/30/61/49/654306149.db2.gz BQXWSMDSCDVBAP-SECBINFHSA-N 1 2 383.177 2.438 20 5 GEBDLO Cc1ccc(N2CC[NH+](CC[S@@](C)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804497704 654311654 /nfs/dbraw/zinc/31/16/54/654311654.db2.gz HNEHVNMHBBWLCI-JOCHJYFZSA-N 1 2 390.303 2.166 20 5 GEBDLO O=C1NCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929292039 654678299 /nfs/dbraw/zinc/67/82/99/654678299.db2.gz GHMWCNIMLCWYKO-UHFFFAOYSA-N 1 2 383.246 2.347 20 5 GEBDLO CCOc1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ccc1[N+](=O)[O-] ZINC001165009860 721709510 /nfs/dbraw/zinc/70/95/10/721709510.db2.gz WORMKFSGCCENGU-UHFFFAOYSA-N 1 2 389.460 2.231 20 5 GEBDLO CCOc1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ccc1[N+](=O)[O-] ZINC001165009860 721709517 /nfs/dbraw/zinc/70/95/17/721709517.db2.gz WORMKFSGCCENGU-UHFFFAOYSA-N 1 2 389.460 2.231 20 5 GEBDLO O=[N+]([O-])c1cnc(Nc2ccn(CC[NH+]3CCOCC3)n2)c(Br)c1 ZINC000485191535 531430665 /nfs/dbraw/zinc/43/06/65/531430665.db2.gz GGSYSQDJFNKQPS-UHFFFAOYSA-N 1 2 397.233 2.025 20 5 GEBDLO CC(C)(CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000175530109 532106012 /nfs/dbraw/zinc/10/60/12/532106012.db2.gz CWRKFKNGCCCAOF-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000294681504 532376256 /nfs/dbraw/zinc/37/62/56/532376256.db2.gz BQSVYMORERTJHZ-UHFFFAOYSA-N 1 2 399.192 2.485 20 5 GEBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000198367049 532481490 /nfs/dbraw/zinc/48/14/90/532481490.db2.gz CNNGMXIMDUAQNV-LLVKDONJSA-N 1 2 397.273 2.146 20 5 GEBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC(n2cc[nH+]c2)CC1 ZINC000373840794 532473839 /nfs/dbraw/zinc/47/38/39/532473839.db2.gz ZXDWBNSRHSXCBF-UHFFFAOYSA-N 1 2 380.202 2.426 20 5 GEBDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000296083715 532499594 /nfs/dbraw/zinc/49/95/94/532499594.db2.gz HBJVLEADXRROQH-OAHLLOKOSA-N 1 2 399.245 2.228 20 5 GEBDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000296083715 532499602 /nfs/dbraw/zinc/49/96/02/532499602.db2.gz HBJVLEADXRROQH-OAHLLOKOSA-N 1 2 399.245 2.228 20 5 GEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285687631 532698375 /nfs/dbraw/zinc/69/83/75/532698375.db2.gz GTGJFUJGCDZJDK-IAQYHMDHSA-N 1 2 398.257 2.293 20 5 GEBDLO CN(C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000285555949 532690346 /nfs/dbraw/zinc/69/03/46/532690346.db2.gz JEGASYLOHVSKSO-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000285555949 532690352 /nfs/dbraw/zinc/69/03/52/532690352.db2.gz JEGASYLOHVSKSO-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)S1 ZINC000301704016 532757082 /nfs/dbraw/zinc/75/70/82/532757082.db2.gz UXTVRHMVSFTYNG-SECBINFHSA-N 1 2 386.275 2.366 20 5 GEBDLO C[C@H]1C[NH+]=C(N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)S1 ZINC000301865407 532762155 /nfs/dbraw/zinc/76/21/55/532762155.db2.gz HBUSNGJJWFLNNA-VIFPVBQESA-N 1 2 386.275 2.366 20 5 GEBDLO CC(C)(CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+]1CCS(=O)CC1 ZINC000269597401 532784068 /nfs/dbraw/zinc/78/40/68/532784068.db2.gz VCJICWOGENGZOJ-UHFFFAOYSA-N 1 2 377.413 2.451 20 5 GEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000287264173 532788435 /nfs/dbraw/zinc/78/84/35/532788435.db2.gz KFMBXXZJZJUTLC-YPMHNXCESA-N 1 2 398.257 2.293 20 5 GEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000287264169 532788659 /nfs/dbraw/zinc/78/86/59/532788659.db2.gz KFMBXXZJZJUTLC-AAEUAGOBSA-N 1 2 398.257 2.293 20 5 GEBDLO Cc1nc(N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273482183 532825238 /nfs/dbraw/zinc/82/52/38/532825238.db2.gz KMQSPFVVCAKEDZ-UHFFFAOYSA-N 1 2 379.218 2.177 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1Cl ZINC000290838062 532890481 /nfs/dbraw/zinc/89/04/81/532890481.db2.gz VESLCUAUPTWMFF-JTQLQIEISA-N 1 2 375.809 2.022 20 5 GEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000367252633 532924003 /nfs/dbraw/zinc/92/40/03/532924003.db2.gz NUSQDWSCXLBOEF-UHFFFAOYSA-N 1 2 394.225 2.414 20 5 GEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000367252633 532924005 /nfs/dbraw/zinc/92/40/05/532924005.db2.gz NUSQDWSCXLBOEF-UHFFFAOYSA-N 1 2 394.225 2.414 20 5 GEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371051924 532946671 /nfs/dbraw/zinc/94/66/71/532946671.db2.gz CBMGINVHNBVGFA-NSHDSACASA-N 1 2 384.845 2.468 20 5 GEBDLO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1c(F)cccc1F ZINC000736758791 599058981 /nfs/dbraw/zinc/05/89/81/599058981.db2.gz IJTBICKCFNEXOX-ZDUSSCGKSA-N 1 2 390.354 2.163 20 5 GEBDLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000826183133 607516112 /nfs/dbraw/zinc/51/61/12/607516112.db2.gz FPXQLXOJMONFFE-UHFFFAOYSA-N 1 2 395.423 2.106 20 5 GEBDLO CN(CCCn1cc[nH+]c1)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821601692 607128194 /nfs/dbraw/zinc/12/81/94/607128194.db2.gz VGWIXPBVNFOQIL-UHFFFAOYSA-N 1 2 379.384 2.046 20 5 GEBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993688 607177904 /nfs/dbraw/zinc/17/79/04/607177904.db2.gz VPIDSZGZICUMJJ-UHFFFAOYSA-N 1 2 393.407 2.378 20 5 GEBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822993688 607177905 /nfs/dbraw/zinc/17/79/05/607177905.db2.gz VPIDSZGZICUMJJ-UHFFFAOYSA-N 1 2 393.407 2.378 20 5 GEBDLO COc1ccccc1[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000512523805 650550243 /nfs/dbraw/zinc/55/02/43/650550243.db2.gz NJLPIQILZSOUAD-LBPRGKRZSA-N 1 2 385.467 2.246 20 5 GEBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000299040688 647269988 /nfs/dbraw/zinc/26/99/88/647269988.db2.gz CNAYJVUWYJONCD-UHFFFAOYSA-N 1 2 381.479 2.134 20 5 GEBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000299040688 647269991 /nfs/dbraw/zinc/26/99/91/647269991.db2.gz CNAYJVUWYJONCD-UHFFFAOYSA-N 1 2 381.479 2.134 20 5 GEBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000377858958 647869883 /nfs/dbraw/zinc/86/98/83/647869883.db2.gz DLOWCUZAUWFFOJ-SECBINFHSA-N 1 2 388.808 2.299 20 5 GEBDLO CC[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000573142496 651936967 /nfs/dbraw/zinc/93/69/67/651936967.db2.gz YMCATNZGDBQEAD-GXFFZTMASA-N 1 2 376.194 2.402 20 5 GEBDLO CC[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000573142496 651936971 /nfs/dbraw/zinc/93/69/71/651936971.db2.gz YMCATNZGDBQEAD-GXFFZTMASA-N 1 2 376.194 2.402 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000754045858 652425406 /nfs/dbraw/zinc/42/54/06/652425406.db2.gz AYHBLWKCQSXYBT-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000754045858 652425407 /nfs/dbraw/zinc/42/54/07/652425407.db2.gz AYHBLWKCQSXYBT-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768834582 653129681 /nfs/dbraw/zinc/12/96/81/653129681.db2.gz VCBGBMSFGFMGJU-UHFFFAOYSA-N 1 2 379.423 2.024 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000772042631 653138233 /nfs/dbraw/zinc/13/82/33/653138233.db2.gz BBQAJMYBALJLGX-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000772042631 653138237 /nfs/dbraw/zinc/13/82/37/653138237.db2.gz BBQAJMYBALJLGX-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000772042628 653138286 /nfs/dbraw/zinc/13/82/86/653138286.db2.gz BBQAJMYBALJLGX-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000772042628 653138297 /nfs/dbraw/zinc/13/82/97/653138297.db2.gz BBQAJMYBALJLGX-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO O=[N+]([O-])c1sc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000602709733 653201584 /nfs/dbraw/zinc/20/15/84/653201584.db2.gz PSNJWEWROUIUJY-SNVBAGLBSA-N 1 2 376.276 2.325 20 5 GEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874704317 653333218 /nfs/dbraw/zinc/33/32/18/653333218.db2.gz HVCAXYLYEZIRKX-GFCCVEGCSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874704317 653333225 /nfs/dbraw/zinc/33/32/25/653333225.db2.gz HVCAXYLYEZIRKX-GFCCVEGCSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H]1CCOC1 ZINC000812295477 653420291 /nfs/dbraw/zinc/42/02/91/653420291.db2.gz GYYFGCSWKQPYGY-NSHDSACASA-N 1 2 384.230 2.381 20 5 GEBDLO CC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H]1CCOC1 ZINC000812295477 653420295 /nfs/dbraw/zinc/42/02/95/653420295.db2.gz GYYFGCSWKQPYGY-NSHDSACASA-N 1 2 384.230 2.381 20 5 GEBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813500732 653511519 /nfs/dbraw/zinc/51/15/19/653511519.db2.gz KGYNKJGINSTEIL-NSHDSACASA-N 1 2 387.179 2.139 20 5 GEBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813500732 653511584 /nfs/dbraw/zinc/51/15/84/653511584.db2.gz KGYNKJGINSTEIL-NSHDSACASA-N 1 2 387.179 2.139 20 5 GEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815029143 653645784 /nfs/dbraw/zinc/64/57/84/653645784.db2.gz KLZLFMJOPWSHDR-ZJUUUORDSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815029143 653645788 /nfs/dbraw/zinc/64/57/88/653645788.db2.gz KLZLFMJOPWSHDR-ZJUUUORDSA-N 1 2 379.841 2.491 20 5 GEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000820042434 653765540 /nfs/dbraw/zinc/76/55/40/653765540.db2.gz HXHFHPKDTWOASO-UKRRQHHQSA-N 1 2 393.241 2.340 20 5 GEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000867537664 653948081 /nfs/dbraw/zinc/94/80/81/653948081.db2.gz OUIBWMDHYOYHEN-NSHDSACASA-N 1 2 379.214 2.228 20 5 GEBDLO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225857 654055050 /nfs/dbraw/zinc/05/50/50/654055050.db2.gz OXHFQBHERFJTGS-SNVBAGLBSA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225857 654055055 /nfs/dbraw/zinc/05/50/55/654055055.db2.gz OXHFQBHERFJTGS-SNVBAGLBSA-N 1 2 379.841 2.398 20 5 GEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])ncc1Br ZINC000798300280 654058047 /nfs/dbraw/zinc/05/80/47/654058047.db2.gz ZQUNXZOEMAXEQM-UHFFFAOYSA-N 1 2 376.170 2.330 20 5 GEBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000804337836 654306119 /nfs/dbraw/zinc/30/61/19/654306119.db2.gz BQXWSMDSCDVBAP-VIFPVBQESA-N 1 2 383.177 2.438 20 5 GEBDLO C[S@@](=O)CC[NH+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC000892658669 654356244 /nfs/dbraw/zinc/35/62/44/654356244.db2.gz WIXMVGBBFAYFLL-RUZDIDTESA-N 1 2 382.873 2.297 20 5 GEBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000909436288 654664725 /nfs/dbraw/zinc/66/47/25/654664725.db2.gz JQLLEEXUOOACQB-QMMMGPOBSA-N 1 2 380.203 2.179 20 5 GEBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000909436288 654664727 /nfs/dbraw/zinc/66/47/27/654664727.db2.gz JQLLEEXUOOACQB-QMMMGPOBSA-N 1 2 380.203 2.179 20 5 GEBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000931675093 654753020 /nfs/dbraw/zinc/75/30/20/654753020.db2.gz BBIRMFYTOXNBQG-ZDUSSCGKSA-N 1 2 375.219 2.225 20 5 GEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001164917945 721815014 /nfs/dbraw/zinc/81/50/14/721815014.db2.gz RKFFWWWWCVGUNZ-UHFFFAOYSA-N 1 2 393.451 2.484 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000047543738 531715321 /nfs/dbraw/zinc/71/53/21/531715321.db2.gz KQAZLFPHSDWFIT-UHFFFAOYSA-N 1 2 380.813 2.417 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C2 ZINC000121352477 532025258 /nfs/dbraw/zinc/02/52/58/532025258.db2.gz PYVHDDATWNGSIA-NSHDSACASA-N 1 2 384.845 2.355 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151156253 532307623 /nfs/dbraw/zinc/30/76/23/532307623.db2.gz PXCPZJLSGMZSFM-LBPRGKRZSA-N 1 2 383.813 2.485 20 5 GEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000468709166 532473274 /nfs/dbraw/zinc/47/32/74/532473274.db2.gz IMNZFAUGVYICBE-UHFFFAOYSA-N 1 2 378.332 2.369 20 5 GEBDLO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595382460 532562163 /nfs/dbraw/zinc/56/21/63/532562163.db2.gz ITWKGSLISQRHKY-MRVPVSSYSA-N 1 2 389.231 2.130 20 5 GEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000284317711 532586510 /nfs/dbraw/zinc/58/65/10/532586510.db2.gz AYNDJYQZGVFLRK-UONOGXRCSA-N 1 2 385.873 2.272 20 5 GEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000284317711 532586511 /nfs/dbraw/zinc/58/65/11/532586511.db2.gz AYNDJYQZGVFLRK-UONOGXRCSA-N 1 2 385.873 2.272 20 5 GEBDLO O=[N+]([O-])c1cccc(Br)c1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596122024 532587975 /nfs/dbraw/zinc/58/79/75/532587975.db2.gz RGTYDOQTFJAYII-UHFFFAOYSA-N 1 2 396.245 2.630 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710259 532625631 /nfs/dbraw/zinc/62/56/31/532625631.db2.gz RTWDWRIWBNPOJM-CYBMUJFWSA-N 1 2 398.257 2.294 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000377425243 532657078 /nfs/dbraw/zinc/65/70/78/532657078.db2.gz ARRGARBIJFHUQK-UHFFFAOYSA-N 1 2 384.845 2.302 20 5 GEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285995714 532725015 /nfs/dbraw/zinc/72/50/15/532725015.db2.gz YBAJLCQSMSAYSA-YPMHNXCESA-N 1 2 398.257 2.293 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3sc(Br)cc3C2)c1 ZINC000610928622 532719809 /nfs/dbraw/zinc/71/98/09/532719809.db2.gz HCPATJKXTJYLFV-NSHDSACASA-N 1 2 387.259 2.035 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3sc(Br)cc3C2)c1 ZINC000610928622 532719816 /nfs/dbraw/zinc/71/98/16/532719816.db2.gz HCPATJKXTJYLFV-NSHDSACASA-N 1 2 387.259 2.035 20 5 GEBDLO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000301114417 532740961 /nfs/dbraw/zinc/74/09/61/532740961.db2.gz XEBOVOIHUHWYNH-UHFFFAOYSA-N 1 2 381.845 2.126 20 5 GEBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301367005 532749711 /nfs/dbraw/zinc/74/97/11/532749711.db2.gz SRJYQRHRGDKLRA-LLVKDONJSA-N 1 2 397.273 2.146 20 5 GEBDLO C[C@@H]1C[NH+]=C(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)S1 ZINC000301537439 532753505 /nfs/dbraw/zinc/75/35/05/532753505.db2.gz NAEIFKWWOPAMLH-SECBINFHSA-N 1 2 386.275 2.366 20 5 GEBDLO CN1C(=O)NC2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC000289352829 532852884 /nfs/dbraw/zinc/85/28/84/532852884.db2.gz LJYNCZOYAPTDBH-UHFFFAOYSA-N 1 2 387.223 2.418 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCn2c[nH+]cc2C1 ZINC000290759153 532888979 /nfs/dbraw/zinc/88/89/79/532888979.db2.gz UDQQLVFYIKDRIN-UHFFFAOYSA-N 1 2 376.316 2.105 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000364138315 532904048 /nfs/dbraw/zinc/90/40/48/532904048.db2.gz YEQXJLYFLMQXQC-GFCCVEGCSA-N 1 2 391.902 2.060 20 5 GEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000370494004 532943767 /nfs/dbraw/zinc/94/37/67/532943767.db2.gz ZWEMQCKCKSGEMT-VIFPVBQESA-N 1 2 390.259 2.012 20 5 GEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000370494004 532943768 /nfs/dbraw/zinc/94/37/68/532943768.db2.gz ZWEMQCKCKSGEMT-VIFPVBQESA-N 1 2 390.259 2.012 20 5 GEBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736204750 598944226 /nfs/dbraw/zinc/94/42/26/598944226.db2.gz UNTVDPSBVLORRH-CYBMUJFWSA-N 1 2 380.412 2.053 20 5 GEBDLO C[NH+](C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000821581777 606710308 /nfs/dbraw/zinc/71/03/08/606710308.db2.gz UTRSALZRILTCSM-LBPRGKRZSA-N 1 2 390.354 2.163 20 5 GEBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000823620509 607161304 /nfs/dbraw/zinc/16/13/04/607161304.db2.gz MJGORNWMDBGJMT-QPJJXVBHSA-N 1 2 392.423 2.005 20 5 GEBDLO Cc1c(Br)cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000456208266 650334003 /nfs/dbraw/zinc/33/40/03/650334003.db2.gz UZNOXHPRAJLTSP-BETUJISGSA-N 1 2 398.257 2.259 20 5 GEBDLO Cc1c(Br)cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000456208266 650334004 /nfs/dbraw/zinc/33/40/04/650334004.db2.gz UZNOXHPRAJLTSP-BETUJISGSA-N 1 2 398.257 2.259 20 5 GEBDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000253602786 645571211 /nfs/dbraw/zinc/57/12/11/645571211.db2.gz FNNBDGBQSWDVGR-VXGBXAGGSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000288666233 646922510 /nfs/dbraw/zinc/92/25/10/646922510.db2.gz ALBHYSVKMHJYDU-WCQYABFASA-N 1 2 398.257 2.293 20 5 GEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000427766973 648729031 /nfs/dbraw/zinc/72/90/31/648729031.db2.gz OTULUARCYHSLCP-LBPRGKRZSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000427766973 648729040 /nfs/dbraw/zinc/72/90/40/648729040.db2.gz OTULUARCYHSLCP-LBPRGKRZSA-N 1 2 386.246 2.198 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(F)cc(Br)cc3C2)c1 ZINC000610724105 651678778 /nfs/dbraw/zinc/67/87/78/651678778.db2.gz PXXBHHQXCILSPJ-CYBMUJFWSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(F)cc(Br)cc3C2)c1 ZINC000610724105 651678783 /nfs/dbraw/zinc/67/87/83/651678783.db2.gz PXXBHHQXCILSPJ-CYBMUJFWSA-N 1 2 399.220 2.112 20 5 GEBDLO CSC1(C[NH+]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000570268322 651756407 /nfs/dbraw/zinc/75/64/07/651756407.db2.gz ADTDGZIZVADHSK-UHFFFAOYSA-N 1 2 385.511 2.105 20 5 GEBDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000592390719 652593105 /nfs/dbraw/zinc/59/31/05/652593105.db2.gz MXXVVASKDUFEPW-GFCCVEGCSA-N 1 2 386.232 2.224 20 5 GEBDLO Nc1n[nH]c(C2CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)n1 ZINC000595490347 652730959 /nfs/dbraw/zinc/73/09/59/652730959.db2.gz QOZRGFRGKHBALW-UHFFFAOYSA-N 1 2 381.234 2.437 20 5 GEBDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602438114 653181133 /nfs/dbraw/zinc/18/11/33/653181133.db2.gz AVJLKZLAKHCWTR-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602438114 653181141 /nfs/dbraw/zinc/18/11/41/653181141.db2.gz AVJLKZLAKHCWTR-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000815042852 653647593 /nfs/dbraw/zinc/64/75/93/653647593.db2.gz RWCJCNRGESLDFC-UHFFFAOYSA-N 1 2 388.808 2.399 20 5 GEBDLO Cn1cc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)cn1 ZINC000839484147 653651023 /nfs/dbraw/zinc/65/10/23/653651023.db2.gz AHAGZYVAQXOHBB-UHFFFAOYSA-N 1 2 394.273 2.409 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000840951413 653703317 /nfs/dbraw/zinc/70/33/17/653703317.db2.gz WFYIMRFUTNOLIW-VIFPVBQESA-N 1 2 376.797 2.198 20 5 GEBDLO CC(=O)N1CC[NH+](CCNc2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000787897249 653745738 /nfs/dbraw/zinc/74/57/38/653745738.db2.gz ISQDNZBFZJFBID-UHFFFAOYSA-N 1 2 385.262 2.242 20 5 GEBDLO C[N@H+](CCn1cccn1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795424506 653951379 /nfs/dbraw/zinc/95/13/79/653951379.db2.gz TWHPKKAQHNIJBQ-UHFFFAOYSA-N 1 2 394.229 2.099 20 5 GEBDLO C[N@@H+](CCn1cccn1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795424506 653951383 /nfs/dbraw/zinc/95/13/83/653951383.db2.gz TWHPKKAQHNIJBQ-UHFFFAOYSA-N 1 2 394.229 2.099 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000795829941 653969325 /nfs/dbraw/zinc/96/93/25/653969325.db2.gz TZVRLCOCUSNAPY-JTQLQIEISA-N 1 2 377.825 2.150 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000795829941 653969327 /nfs/dbraw/zinc/96/93/27/653969327.db2.gz TZVRLCOCUSNAPY-JTQLQIEISA-N 1 2 377.825 2.150 20 5 GEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000903208279 654226699 /nfs/dbraw/zinc/22/66/99/654226699.db2.gz GCRWUQVQFVIATR-NSHDSACASA-N 1 2 379.360 2.082 20 5 GEBDLO CN(CC(=O)OCCn1cc[nH+]c1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802815247 654243723 /nfs/dbraw/zinc/24/37/23/654243723.db2.gz QEJDXEDWRDVCAT-UHFFFAOYSA-N 1 2 383.202 2.233 20 5 GEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832414006 654265229 /nfs/dbraw/zinc/26/52/29/654265229.db2.gz BIRMGXGVDICZNN-JTQLQIEISA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832414006 654265233 /nfs/dbraw/zinc/26/52/33/654265233.db2.gz BIRMGXGVDICZNN-JTQLQIEISA-N 1 2 379.841 2.492 20 5 GEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000930576080 654714323 /nfs/dbraw/zinc/71/43/23/654714323.db2.gz HVDZSODBGDEQLO-AWEZNQCLSA-N 1 2 396.245 2.278 20 5 GEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000930576080 654714325 /nfs/dbraw/zinc/71/43/25/654714325.db2.gz HVDZSODBGDEQLO-AWEZNQCLSA-N 1 2 396.245 2.278 20 5 GEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001164918344 721817554 /nfs/dbraw/zinc/81/75/54/721817554.db2.gz OXBBKKBRFDFUIZ-UHFFFAOYSA-N 1 2 381.440 2.417 20 5 GEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949375 721969412 /nfs/dbraw/zinc/96/94/12/721969412.db2.gz XLGFIPCQMQVUQH-UHFFFAOYSA-N 1 2 395.463 2.269 20 5 GEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949375 721969416 /nfs/dbraw/zinc/96/94/16/721969416.db2.gz XLGFIPCQMQVUQH-UHFFFAOYSA-N 1 2 395.463 2.269 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000026839658 531619722 /nfs/dbraw/zinc/61/97/22/531619722.db2.gz OHAMJFUHTCEJBM-LBPRGKRZSA-N 1 2 381.479 2.381 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000026839658 531619728 /nfs/dbraw/zinc/61/97/28/531619728.db2.gz OHAMJFUHTCEJBM-LBPRGKRZSA-N 1 2 381.479 2.381 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000057018858 531816747 /nfs/dbraw/zinc/81/67/47/531816747.db2.gz POFGFGGABDUODF-UHFFFAOYSA-N 1 2 381.479 2.205 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000279710978 532398784 /nfs/dbraw/zinc/39/87/84/532398784.db2.gz OCYJCMHSCLCLEA-LLVKDONJSA-N 1 2 386.246 2.150 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000279458021 532395854 /nfs/dbraw/zinc/39/58/54/532395854.db2.gz CWMXKQAPEXBQMC-NSHDSACASA-N 1 2 386.246 2.150 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428000129 532438852 /nfs/dbraw/zinc/43/88/52/532438852.db2.gz ICWXMPKYFSBWAH-LLVKDONJSA-N 1 2 379.214 2.228 20 5 GEBDLO CN(C)[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[nH+]cn1C ZINC000563876765 532511781 /nfs/dbraw/zinc/51/17/81/532511781.db2.gz IMWGINCUJQRZBZ-CYBMUJFWSA-N 1 2 382.218 2.332 20 5 GEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)cc1[N+](=O)[O-] ZINC000470762906 532535703 /nfs/dbraw/zinc/53/57/03/532535703.db2.gz ADKYKUQVQNWBGC-UHFFFAOYSA-N 1 2 382.785 2.099 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000283282680 532529292 /nfs/dbraw/zinc/52/92/92/532529292.db2.gz DZIJZCADIKXRNS-UHFFFAOYSA-N 1 2 386.246 2.070 20 5 GEBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000284317719 532586515 /nfs/dbraw/zinc/58/65/15/532586515.db2.gz AYNDJYQZGVFLRK-ZIAGYGMSSA-N 1 2 385.873 2.272 20 5 GEBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000284317719 532586517 /nfs/dbraw/zinc/58/65/17/532586517.db2.gz AYNDJYQZGVFLRK-ZIAGYGMSSA-N 1 2 385.873 2.272 20 5 GEBDLO O=[N+]([O-])c1cncc(Br)c1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375659184 532573486 /nfs/dbraw/zinc/57/34/86/532573486.db2.gz VNOVRHNVDACKIM-CYBMUJFWSA-N 1 2 382.218 2.425 20 5 GEBDLO CN(C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000285555940 532689960 /nfs/dbraw/zinc/68/99/60/532689960.db2.gz JEGASYLOHVSKSO-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000285555940 532689964 /nfs/dbraw/zinc/68/99/64/532689964.db2.gz JEGASYLOHVSKSO-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610902078 532720001 /nfs/dbraw/zinc/72/00/01/532720001.db2.gz BPUKORQGHKJWJY-HNNXBMFYSA-N 1 2 398.257 2.294 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3sc(Br)cc3C2)c1 ZINC000610928621 532720061 /nfs/dbraw/zinc/72/00/61/532720061.db2.gz HCPATJKXTJYLFV-LLVKDONJSA-N 1 2 387.259 2.035 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3sc(Br)cc3C2)c1 ZINC000610928621 532720065 /nfs/dbraw/zinc/72/00/65/532720065.db2.gz HCPATJKXTJYLFV-LLVKDONJSA-N 1 2 387.259 2.035 20 5 GEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301335056 532748021 /nfs/dbraw/zinc/74/80/21/532748021.db2.gz FZBNFXGHSHWPAP-GFCCVEGCSA-N 1 2 399.289 2.394 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000501174702 532737982 /nfs/dbraw/zinc/73/79/82/532737982.db2.gz BBLHWKZNGOPHMO-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000501174702 532737989 /nfs/dbraw/zinc/73/79/89/532737989.db2.gz BBLHWKZNGOPHMO-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000267497866 532741871 /nfs/dbraw/zinc/74/18/71/532741871.db2.gz ZEJXBQUQMVLDBE-IAQYHMDHSA-N 1 2 398.257 2.150 20 5 GEBDLO O=[N+]([O-])c1cc(Br)cnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000268475668 532766537 /nfs/dbraw/zinc/76/65/37/532766537.db2.gz JJIXJZWMIZDCLX-UHFFFAOYSA-N 1 2 397.233 2.025 20 5 GEBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736204753 598944038 /nfs/dbraw/zinc/94/40/38/598944038.db2.gz UNTVDPSBVLORRH-ZDUSSCGKSA-N 1 2 380.412 2.053 20 5 GEBDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920359 606621738 /nfs/dbraw/zinc/62/17/38/606621738.db2.gz PGNRKWWSENEIRI-HZPDHXFCSA-N 1 2 381.396 2.042 20 5 GEBDLO Cc1[nH+]ccn1-c1ccccc1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000822478440 606705535 /nfs/dbraw/zinc/70/55/35/606705535.db2.gz RYCIUIHZLVITSZ-UHFFFAOYSA-N 1 2 377.368 2.276 20 5 GEBDLO O=C(CCCn1cc[nH+]c1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826407026 607878353 /nfs/dbraw/zinc/87/83/53/607878353.db2.gz XWBVFIRKMOPRTJ-UHFFFAOYSA-N 1 2 376.764 2.044 20 5 GEBDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[nH]n2)c1C ZINC000826341223 608564817 /nfs/dbraw/zinc/56/48/17/608564817.db2.gz APHXCGYFBWZWSS-SNVBAGLBSA-N 1 2 385.384 2.274 20 5 GEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000130889061 643854316 /nfs/dbraw/zinc/85/43/16/643854316.db2.gz FRWMGRVSSWASIP-UHFFFAOYSA-N 1 2 381.479 2.134 20 5 GEBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000130889061 643854319 /nfs/dbraw/zinc/85/43/19/643854319.db2.gz FRWMGRVSSWASIP-UHFFFAOYSA-N 1 2 381.479 2.134 20 5 GEBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCOCC1 ZINC000131038383 643860464 /nfs/dbraw/zinc/86/04/64/643860464.db2.gz IGYNRDXYNCOPSD-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO C[C@@H]1C[C@@H](Nc2c(I)cncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000418890647 648321574 /nfs/dbraw/zinc/32/15/74/648321574.db2.gz WLFYDJRRXKPKJI-RKDXNWHRSA-N 1 2 388.209 2.053 20 5 GEBDLO C[C@@H]1C[C@@H](Nc2c(I)cncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000418890647 648321576 /nfs/dbraw/zinc/32/15/76/648321576.db2.gz WLFYDJRRXKPKJI-RKDXNWHRSA-N 1 2 388.209 2.053 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000558483943 651280468 /nfs/dbraw/zinc/28/04/68/651280468.db2.gz MWWCLOPFPHHSJR-UHFFFAOYSA-N 1 2 377.209 2.303 20 5 GEBDLO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000558778989 651285363 /nfs/dbraw/zinc/28/53/63/651285363.db2.gz FDGOXYBDSFQXPU-CYBMUJFWSA-N 1 2 384.845 2.224 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000611083553 651705616 /nfs/dbraw/zinc/70/56/16/651705616.db2.gz GQHDFUAMFVWQNO-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000611083553 651705624 /nfs/dbraw/zinc/70/56/24/651705624.db2.gz GQHDFUAMFVWQNO-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccsc1 ZINC000594748530 652680435 /nfs/dbraw/zinc/68/04/35/652680435.db2.gz MBHSCVWYNBEFPD-CQSZACIVSA-N 1 2 384.483 2.413 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC000598938934 652840709 /nfs/dbraw/zinc/84/07/09/652840709.db2.gz IEKSPMRXWRVNSM-GFCCVEGCSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC000598938934 652840711 /nfs/dbraw/zinc/84/07/11/652840711.db2.gz IEKSPMRXWRVNSM-GFCCVEGCSA-N 1 2 399.220 2.112 20 5 GEBDLO CCOCC[NH+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599433214 652871514 /nfs/dbraw/zinc/87/15/14/652871514.db2.gz NRFJPHAHWBPMHF-UHFFFAOYSA-N 1 2 386.246 2.152 20 5 GEBDLO COCC(=O)NC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768884697 653135819 /nfs/dbraw/zinc/13/58/19/653135819.db2.gz NGQKGCZLPFWZDG-UHFFFAOYSA-N 1 2 386.246 2.084 20 5 GEBDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602438112 653181296 /nfs/dbraw/zinc/18/12/96/653181296.db2.gz AVJLKZLAKHCWTR-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602438112 653181297 /nfs/dbraw/zinc/18/12/97/653181297.db2.gz AVJLKZLAKHCWTR-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000770716730 653222262 /nfs/dbraw/zinc/22/22/62/653222262.db2.gz LGQDLTOAXGITJI-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000770716730 653222266 /nfs/dbraw/zinc/22/22/66/653222266.db2.gz LGQDLTOAXGITJI-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@H+]1C ZINC000770716733 653222314 /nfs/dbraw/zinc/22/23/14/653222314.db2.gz LGQDLTOAXGITJI-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[N@@H+]1C ZINC000770716733 653222316 /nfs/dbraw/zinc/22/23/16/653222316.db2.gz LGQDLTOAXGITJI-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000770717750 653222524 /nfs/dbraw/zinc/22/25/24/653222524.db2.gz YKLLRNGIBYEXAT-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000770717750 653222530 /nfs/dbraw/zinc/22/25/30/653222530.db2.gz YKLLRNGIBYEXAT-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000770721945 653222785 /nfs/dbraw/zinc/22/27/85/653222785.db2.gz CVPBEJKLCMGRCW-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000770721945 653222789 /nfs/dbraw/zinc/22/27/89/653222789.db2.gz CVPBEJKLCMGRCW-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825242 653302753 /nfs/dbraw/zinc/30/27/53/653302753.db2.gz CEIIVWPVRWWAHV-UFBFGSQYSA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825242 653302760 /nfs/dbraw/zinc/30/27/60/653302760.db2.gz CEIIVWPVRWWAHV-UFBFGSQYSA-N 1 2 377.825 2.148 20 5 GEBDLO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000857881115 653341825 /nfs/dbraw/zinc/34/18/25/653341825.db2.gz QMBJEOYHLXHVFM-GZBFAFLISA-N 1 2 382.258 2.324 20 5 GEBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814979057 653641830 /nfs/dbraw/zinc/64/18/30/653641830.db2.gz HMOFTBJZDWYSKI-UHFFFAOYSA-N 1 2 379.841 2.350 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000815021168 653644651 /nfs/dbraw/zinc/64/46/51/653644651.db2.gz LXVWQAANPLYZQS-JTQLQIEISA-N 1 2 375.809 2.022 20 5 GEBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815027862 653645661 /nfs/dbraw/zinc/64/56/61/653645661.db2.gz XWAWHLXYELVPEZ-VIFPVBQESA-N 1 2 388.808 2.299 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000815031446 653646300 /nfs/dbraw/zinc/64/63/00/653646300.db2.gz UDOQNKCNEXDUMR-UHFFFAOYSA-N 1 2 376.797 2.343 20 5 GEBDLO C[N@H+](C[C@@H]1CCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427630 653951793 /nfs/dbraw/zinc/95/17/93/653951793.db2.gz LKNFHFJTWOTWSC-NSHDSACASA-N 1 2 384.230 2.381 20 5 GEBDLO C[N@@H+](C[C@@H]1CCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427630 653951798 /nfs/dbraw/zinc/95/17/98/653951798.db2.gz LKNFHFJTWOTWSC-NSHDSACASA-N 1 2 384.230 2.381 20 5 GEBDLO COC[C@H]1CCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795441140 653953067 /nfs/dbraw/zinc/95/30/67/653953067.db2.gz VZTXGLJYHPGRHH-LLVKDONJSA-N 1 2 384.230 2.381 20 5 GEBDLO COC[C@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795441140 653953070 /nfs/dbraw/zinc/95/30/70/653953070.db2.gz VZTXGLJYHPGRHH-LLVKDONJSA-N 1 2 384.230 2.381 20 5 GEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795904491 653976641 /nfs/dbraw/zinc/97/66/41/653976641.db2.gz RZVKFNAKPXRWMM-NXEZZACHSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795904491 653976646 /nfs/dbraw/zinc/97/66/46/653976646.db2.gz RZVKFNAKPXRWMM-NXEZZACHSA-N 1 2 379.841 2.491 20 5 GEBDLO COc1c(N)[nH+]cnc1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000848698414 653992930 /nfs/dbraw/zinc/99/29/30/653992930.db2.gz RMQYBWCSKLYFJO-UHFFFAOYSA-N 1 2 380.202 2.301 20 5 GEBDLO COc1c(N)nc[nH+]c1N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000848698414 653992933 /nfs/dbraw/zinc/99/29/33/653992933.db2.gz RMQYBWCSKLYFJO-UHFFFAOYSA-N 1 2 380.202 2.301 20 5 GEBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000830791089 654143194 /nfs/dbraw/zinc/14/31/94/654143194.db2.gz OOFVDHXVUKUESE-LLVKDONJSA-N 1 2 393.197 2.441 20 5 GEBDLO COCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929268771 654677598 /nfs/dbraw/zinc/67/75/98/654677598.db2.gz MMPGLYVOEOBYIL-UHFFFAOYSA-N 1 2 386.246 2.084 20 5 GEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729699 720389444 /nfs/dbraw/zinc/38/94/44/720389444.db2.gz VMOWDVXKVVNAQI-KGLIPLIRSA-N 1 2 375.816 2.130 20 5 GEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729699 720389450 /nfs/dbraw/zinc/38/94/50/720389450.db2.gz VMOWDVXKVVNAQI-KGLIPLIRSA-N 1 2 375.816 2.130 20 5 GEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729703 720390946 /nfs/dbraw/zinc/39/09/46/720390946.db2.gz VMOWDVXKVVNAQI-ZIAGYGMSSA-N 1 2 375.816 2.130 20 5 GEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729703 720390949 /nfs/dbraw/zinc/39/09/49/720390949.db2.gz VMOWDVXKVVNAQI-ZIAGYGMSSA-N 1 2 375.816 2.130 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155216866 531665687 /nfs/dbraw/zinc/66/56/87/531665687.db2.gz ITLQAAXRXGBRAB-SNVBAGLBSA-N 1 2 387.234 2.200 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cc(Br)sc3C2)c1 ZINC000119285040 531965364 /nfs/dbraw/zinc/96/53/64/531965364.db2.gz BYBODDXKIFDRNV-NSHDSACASA-N 1 2 387.259 2.035 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cc(Br)sc3C2)c1 ZINC000119285040 531965369 /nfs/dbraw/zinc/96/53/69/531965369.db2.gz BYBODDXKIFDRNV-NSHDSACASA-N 1 2 387.259 2.035 20 5 GEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178519993 532203963 /nfs/dbraw/zinc/20/39/63/532203963.db2.gz UVYSJOPQEIUORX-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178519993 532203966 /nfs/dbraw/zinc/20/39/66/532203966.db2.gz UVYSJOPQEIUORX-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO C[NH+]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000134469839 532256802 /nfs/dbraw/zinc/25/68/02/532256802.db2.gz ULOXQDYAGLOSLW-UHFFFAOYSA-N 1 2 384.223 2.475 20 5 GEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192345698 532403238 /nfs/dbraw/zinc/40/32/38/532403238.db2.gz ZKDOAJDSJMQLLU-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192345698 532403243 /nfs/dbraw/zinc/40/32/43/532403243.db2.gz ZKDOAJDSJMQLLU-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471827 532510134 /nfs/dbraw/zinc/51/01/34/532510134.db2.gz NIDLBYDOKSHWGP-UTUOFQBUSA-N 1 2 391.877 2.024 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471827 532510137 /nfs/dbraw/zinc/51/01/37/532510137.db2.gz NIDLBYDOKSHWGP-UTUOFQBUSA-N 1 2 391.877 2.024 20 5 GEBDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000296288950 532512344 /nfs/dbraw/zinc/51/23/44/532512344.db2.gz OZMVTHIZQIMPCP-AWEZNQCLSA-N 1 2 399.245 2.228 20 5 GEBDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000296288950 532512349 /nfs/dbraw/zinc/51/23/49/532512349.db2.gz OZMVTHIZQIMPCP-AWEZNQCLSA-N 1 2 399.245 2.228 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599846935 532668736 /nfs/dbraw/zinc/66/87/36/532668736.db2.gz HKZFDAYSAPLEIR-NSHDSACASA-N 1 2 386.246 2.150 20 5 GEBDLO C[C@@H]1C[NH+]=C(N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)S1 ZINC000301865406 532761783 /nfs/dbraw/zinc/76/17/83/532761783.db2.gz HBUSNGJJWFLNNA-SECBINFHSA-N 1 2 386.275 2.366 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC[NH+]2CCC1CC2 ZINC000302740238 532773517 /nfs/dbraw/zinc/77/35/17/532773517.db2.gz CJWHUOALWHKNIW-UHFFFAOYSA-N 1 2 379.360 2.173 20 5 GEBDLO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1nncn1C ZINC000289592716 532859903 /nfs/dbraw/zinc/85/99/03/532859903.db2.gz SHELSBBGGIWAPV-MRVPVSSYSA-N 1 2 387.181 2.179 20 5 GEBDLO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ncnn1C ZINC000289663265 532862025 /nfs/dbraw/zinc/86/20/25/532862025.db2.gz ZCUUBJYDGIHAAH-MRVPVSSYSA-N 1 2 387.181 2.179 20 5 GEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000291437578 532901985 /nfs/dbraw/zinc/90/19/85/532901985.db2.gz MAULUCBPLJCOBE-IAQYHMDHSA-N 1 2 398.257 2.293 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@H+]1C ZINC000293743913 532930842 /nfs/dbraw/zinc/93/08/42/532930842.db2.gz HXHRPXZISLYYMD-AOOOYVTPSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@@H+]1C ZINC000293743913 532930843 /nfs/dbraw/zinc/93/08/43/532930843.db2.gz HXHRPXZISLYYMD-AOOOYVTPSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000507969926 650471009 /nfs/dbraw/zinc/47/10/09/650471009.db2.gz MZDYUMDXYBKJTJ-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000507969926 650471012 /nfs/dbraw/zinc/47/10/12/650471012.db2.gz MZDYUMDXYBKJTJ-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289306926 646930708 /nfs/dbraw/zinc/93/07/08/646930708.db2.gz JGMMTMWTKZGFRP-QMMMGPOBSA-N 1 2 379.225 2.465 20 5 GEBDLO Cc1cc(C)c(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000365189885 647663360 /nfs/dbraw/zinc/66/33/60/647663360.db2.gz FEOFECQLAJYNCT-AWEZNQCLSA-N 1 2 385.511 2.023 20 5 GEBDLO O=C(c1cc([N+](=O)[O-])ccc1I)N1CCn2c[nH+]cc2C1 ZINC000365745703 647685519 /nfs/dbraw/zinc/68/55/19/647685519.db2.gz FZGQHUSUCZXDNX-UHFFFAOYSA-N 1 2 398.160 2.052 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408085239 647924223 /nfs/dbraw/zinc/92/42/23/647924223.db2.gz XWVXDNYYBBQMCP-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408085239 647924225 /nfs/dbraw/zinc/92/42/25/647924225.db2.gz XWVXDNYYBBQMCP-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412038911 648041791 /nfs/dbraw/zinc/04/17/91/648041791.db2.gz HNTJUDNYKMOFIQ-LOWVWBTDSA-N 1 2 398.257 2.389 20 5 GEBDLO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412038911 648041794 /nfs/dbraw/zinc/04/17/94/648041794.db2.gz HNTJUDNYKMOFIQ-LOWVWBTDSA-N 1 2 398.257 2.389 20 5 GEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453527 648129650 /nfs/dbraw/zinc/12/96/50/648129650.db2.gz QXGKREXUTHYSGR-UWVGGRQHSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453527 648129654 /nfs/dbraw/zinc/12/96/54/648129654.db2.gz QXGKREXUTHYSGR-UWVGGRQHSA-N 1 2 381.376 2.327 20 5 GEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000416521418 648157821 /nfs/dbraw/zinc/15/78/21/648157821.db2.gz HZFDGMGQTHWURE-UHFFFAOYSA-N 1 2 379.360 2.154 20 5 GEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000416521418 648157835 /nfs/dbraw/zinc/15/78/35/648157835.db2.gz HZFDGMGQTHWURE-UHFFFAOYSA-N 1 2 379.360 2.154 20 5 GEBDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC12COC2 ZINC000425474622 648679419 /nfs/dbraw/zinc/67/94/19/648679419.db2.gz JGDSTNHYUXYZJG-CYBMUJFWSA-N 1 2 399.241 2.369 20 5 GEBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC12COC2 ZINC000425474622 648679424 /nfs/dbraw/zinc/67/94/24/648679424.db2.gz JGDSTNHYUXYZJG-CYBMUJFWSA-N 1 2 399.241 2.369 20 5 GEBDLO C[N@H+](CCCNC(=O)OC(C)(C)C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000740758070 651921397 /nfs/dbraw/zinc/92/13/97/651921397.db2.gz OUVIAXDVJCRWGU-UHFFFAOYSA-N 1 2 392.254 2.358 20 5 GEBDLO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000740758070 651921405 /nfs/dbraw/zinc/92/14/05/651921405.db2.gz OUVIAXDVJCRWGU-UHFFFAOYSA-N 1 2 392.254 2.358 20 5 GEBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNc1c(I)cncc1[N+](=O)[O-] ZINC000596308739 652760049 /nfs/dbraw/zinc/76/00/49/652760049.db2.gz MONWFKZXKDOSDA-VIFPVBQESA-N 1 2 390.225 2.301 20 5 GEBDLO CC(C)(C)[N@H+]1CC[C@H]1CNc1c(I)cncc1[N+](=O)[O-] ZINC000596308739 652760050 /nfs/dbraw/zinc/76/00/50/652760050.db2.gz MONWFKZXKDOSDA-VIFPVBQESA-N 1 2 390.225 2.301 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000766855604 652900981 /nfs/dbraw/zinc/90/09/81/652900981.db2.gz DUXKWPJJCHJIIV-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000766855604 652900989 /nfs/dbraw/zinc/90/09/89/652900989.db2.gz DUXKWPJJCHJIIV-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921323593 654248101 /nfs/dbraw/zinc/24/81/01/654248101.db2.gz KVEOZERTKBDIJS-YPMHNXCESA-N 1 2 391.902 2.106 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921323593 654248106 /nfs/dbraw/zinc/24/81/06/654248106.db2.gz KVEOZERTKBDIJS-YPMHNXCESA-N 1 2 391.902 2.106 20 5 GEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000832522896 654271719 /nfs/dbraw/zinc/27/17/19/654271719.db2.gz CAJTXZZJQYBZFI-JTQLQIEISA-N 1 2 379.841 2.492 20 5 GEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729701 720390145 /nfs/dbraw/zinc/39/01/45/720390145.db2.gz VMOWDVXKVVNAQI-UONOGXRCSA-N 1 2 375.816 2.130 20 5 GEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729701 720390150 /nfs/dbraw/zinc/39/01/50/720390150.db2.gz VMOWDVXKVVNAQI-UONOGXRCSA-N 1 2 375.816 2.130 20 5 GEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001164917629 721812996 /nfs/dbraw/zinc/81/29/96/721812996.db2.gz ODUMLQHQSWUIOA-UHFFFAOYSA-N 1 2 393.451 2.484 20 5 GEBDLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001164944909 721969492 /nfs/dbraw/zinc/96/94/92/721969492.db2.gz KIYPTVDVHFLKKA-UHFFFAOYSA-N 1 2 395.463 2.269 20 5 GEBDLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001164944909 721969498 /nfs/dbraw/zinc/96/94/98/721969498.db2.gz KIYPTVDVHFLKKA-UHFFFAOYSA-N 1 2 395.463 2.269 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000053609447 531768672 /nfs/dbraw/zinc/76/86/72/531768672.db2.gz LBNKEFOKLQOGHO-UHFFFAOYSA-N 1 2 381.376 2.383 20 5 GEBDLO CC(C)NS(=O)(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172119295 531934671 /nfs/dbraw/zinc/93/46/71/531934671.db2.gz XQWYJOWJRIZMPE-UHFFFAOYSA-N 1 2 384.483 2.136 20 5 GEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000122569238 532075587 /nfs/dbraw/zinc/07/55/87/532075587.db2.gz HLXPEFVIGBKSHQ-CQSZACIVSA-N 1 2 398.257 2.294 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000125791759 532142762 /nfs/dbraw/zinc/14/27/62/532142762.db2.gz MMMMGQDSVHDZJT-UHFFFAOYSA-N 1 2 382.829 2.154 20 5 GEBDLO Cc1c(Br)cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000129288803 532176664 /nfs/dbraw/zinc/17/66/64/532176664.db2.gz SEBABWFEVLIHTE-ZDUSSCGKSA-N 1 2 398.257 2.259 20 5 GEBDLO Cc1c(Br)cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000129288803 532176666 /nfs/dbraw/zinc/17/66/66/532176666.db2.gz SEBABWFEVLIHTE-ZDUSSCGKSA-N 1 2 398.257 2.259 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(Br)ccc(F)c3C2)c1 ZINC000186191391 532340041 /nfs/dbraw/zinc/34/00/41/532340041.db2.gz ARTIDVHYGGAFOJ-LLVKDONJSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(Br)ccc(F)c3C2)c1 ZINC000186191391 532340042 /nfs/dbraw/zinc/34/00/42/532340042.db2.gz ARTIDVHYGGAFOJ-LLVKDONJSA-N 1 2 399.220 2.112 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000279710980 532399018 /nfs/dbraw/zinc/39/90/18/532399018.db2.gz OCYJCMHSCLCLEA-NSHDSACASA-N 1 2 386.246 2.150 20 5 GEBDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000296288958 532512391 /nfs/dbraw/zinc/51/23/91/532512391.db2.gz OZMVTHIZQIMPCP-CQSZACIVSA-N 1 2 399.245 2.228 20 5 GEBDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000296288958 532512395 /nfs/dbraw/zinc/51/23/95/532512395.db2.gz OZMVTHIZQIMPCP-CQSZACIVSA-N 1 2 399.245 2.228 20 5 GEBDLO C[N@@H+]1CCN(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374859717 532521308 /nfs/dbraw/zinc/52/13/08/532521308.db2.gz WUBOHAKPZJNGJT-UHFFFAOYSA-N 1 2 397.273 2.100 20 5 GEBDLO C[N@H+]1CCN(C2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374859717 532521312 /nfs/dbraw/zinc/52/13/12/532521312.db2.gz WUBOHAKPZJNGJT-UHFFFAOYSA-N 1 2 397.273 2.100 20 5 GEBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000248886718 532557578 /nfs/dbraw/zinc/55/75/78/532557578.db2.gz SEKQRQMTLVDORG-TZMCWYRMSA-N 1 2 381.479 2.455 20 5 GEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000248886718 532557582 /nfs/dbraw/zinc/55/75/82/532557582.db2.gz SEKQRQMTLVDORG-TZMCWYRMSA-N 1 2 381.479 2.455 20 5 GEBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000378218418 532683925 /nfs/dbraw/zinc/68/39/25/532683925.db2.gz APCCBASUHQLUNZ-UHFFFAOYSA-N 1 2 381.376 2.127 20 5 GEBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301367007 532749393 /nfs/dbraw/zinc/74/93/93/532749393.db2.gz SRJYQRHRGDKLRA-NSHDSACASA-N 1 2 397.273 2.146 20 5 GEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccnc(-n3cc[nH+]c3)c2)s1 ZINC000302165620 532767322 /nfs/dbraw/zinc/76/73/22/532767322.db2.gz KRWGDVSMTBCAGG-UHFFFAOYSA-N 1 2 379.423 2.253 20 5 GEBDLO O=[N+]([O-])c1cnc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000302782097 532773847 /nfs/dbraw/zinc/77/38/47/532773847.db2.gz SFRLPLGUSMZKOT-GFCCVEGCSA-N 1 2 382.218 2.425 20 5 GEBDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000548676759 532793253 /nfs/dbraw/zinc/79/32/53/532793253.db2.gz ATCAATYFTYZGTM-CYBMUJFWSA-N 1 2 385.262 2.299 20 5 GEBDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000548676759 532793257 /nfs/dbraw/zinc/79/32/57/532793257.db2.gz ATCAATYFTYZGTM-CYBMUJFWSA-N 1 2 385.262 2.299 20 5 GEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000359940448 206272304 /nfs/dbraw/zinc/27/23/04/206272304.db2.gz GYOOPBVXBGFOBD-OAHLLOKOSA-N 1 2 399.451 2.406 20 5 GEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000359940448 206272308 /nfs/dbraw/zinc/27/23/08/206272308.db2.gz GYOOPBVXBGFOBD-OAHLLOKOSA-N 1 2 399.451 2.406 20 5 GEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290670598 532886314 /nfs/dbraw/zinc/88/63/14/532886314.db2.gz GJAIAJOBACEPRQ-UHFFFAOYSA-N 1 2 376.797 2.295 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364138316 532903829 /nfs/dbraw/zinc/90/38/29/532903829.db2.gz YEQXJLYFLMQXQC-LBPRGKRZSA-N 1 2 391.902 2.060 20 5 GEBDLO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826499104 607451394 /nfs/dbraw/zinc/45/13/94/607451394.db2.gz VYTNWXHZSWECKP-KRWDZBQOSA-N 1 2 395.423 2.260 20 5 GEBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000824771516 608409582 /nfs/dbraw/zinc/40/95/82/608409582.db2.gz QRKUPYQPAPHOSL-GFCCVEGCSA-N 1 2 398.402 2.192 20 5 GEBDLO C[C@H]1COCC[N@@H+]1CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000511412357 650536416 /nfs/dbraw/zinc/53/64/16/650536416.db2.gz QHKOGAUCKSRRMR-NSHDSACASA-N 1 2 395.257 2.460 20 5 GEBDLO C[C@H]1COCC[N@H+]1CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000511412357 650536421 /nfs/dbraw/zinc/53/64/21/650536421.db2.gz QHKOGAUCKSRRMR-NSHDSACASA-N 1 2 395.257 2.460 20 5 GEBDLO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC(F)(F)F ZINC000494394678 650806466 /nfs/dbraw/zinc/80/64/66/650806466.db2.gz SFNSLSHJTVQLOW-UHFFFAOYSA-N 1 2 375.394 2.209 20 5 GEBDLO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC(F)(F)F ZINC000494394678 650806469 /nfs/dbraw/zinc/80/64/69/650806469.db2.gz SFNSLSHJTVQLOW-UHFFFAOYSA-N 1 2 375.394 2.209 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000098117736 643103488 /nfs/dbraw/zinc/10/34/88/643103488.db2.gz RLHAMBRHEUFEQW-UHFFFAOYSA-N 1 2 378.435 2.380 20 5 GEBDLO Cc1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)c(N2CCCC2)[nH+]1 ZINC000120307442 643599536 /nfs/dbraw/zinc/59/95/36/643599536.db2.gz VWKRRZBXRCOPBC-UHFFFAOYSA-N 1 2 382.467 2.438 20 5 GEBDLO COCCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000153876916 644010019 /nfs/dbraw/zinc/01/00/19/644010019.db2.gz QFDAQTCJGDEMPI-CYBMUJFWSA-N 1 2 376.862 2.274 20 5 GEBDLO COCCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000153876916 644010026 /nfs/dbraw/zinc/01/00/26/644010026.db2.gz QFDAQTCJGDEMPI-CYBMUJFWSA-N 1 2 376.862 2.274 20 5 GEBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000267475692 645906383 /nfs/dbraw/zinc/90/63/83/645906383.db2.gz QDCNDMBIIPFVPX-UHFFFAOYSA-N 1 2 386.246 2.152 20 5 GEBDLO O=C(NCCn1cc[nH+]c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000283876386 646829202 /nfs/dbraw/zinc/82/92/02/646829202.db2.gz GXRJYKQQKWVKMA-UHFFFAOYSA-N 1 2 394.229 2.322 20 5 GEBDLO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412038905 648041863 /nfs/dbraw/zinc/04/18/63/648041863.db2.gz HNTJUDNYKMOFIQ-GMXVVIOVSA-N 1 2 398.257 2.389 20 5 GEBDLO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412038905 648041868 /nfs/dbraw/zinc/04/18/68/648041868.db2.gz HNTJUDNYKMOFIQ-GMXVVIOVSA-N 1 2 398.257 2.389 20 5 GEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000416483597 648142634 /nfs/dbraw/zinc/14/26/34/648142634.db2.gz MMIDEPWVGJPYEG-UHFFFAOYSA-N 1 2 376.316 2.015 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000549535404 651098536 /nfs/dbraw/zinc/09/85/36/651098536.db2.gz BFZYUCCPFTXVQA-AOOOYVTPSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000549535404 651098538 /nfs/dbraw/zinc/09/85/38/651098538.db2.gz BFZYUCCPFTXVQA-AOOOYVTPSA-N 1 2 392.275 2.070 20 5 GEBDLO O=C(Nn1cc(Br)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000752900073 652395694 /nfs/dbraw/zinc/39/56/94/652395694.db2.gz DPZFWNPSKQOPMO-UHFFFAOYSA-N 1 2 377.158 2.123 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)c1 ZINC000595844708 652737928 /nfs/dbraw/zinc/73/79/28/652737928.db2.gz KGRKNAQNCZFFBD-HUUCEWRRSA-N 1 2 381.230 2.362 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]2c2ccc(Br)cc2)c1 ZINC000595844708 652737933 /nfs/dbraw/zinc/73/79/33/652737933.db2.gz KGRKNAQNCZFFBD-HUUCEWRRSA-N 1 2 381.230 2.362 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC000598938938 652840774 /nfs/dbraw/zinc/84/07/74/652840774.db2.gz IEKSPMRXWRVNSM-LBPRGKRZSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC000598938938 652840777 /nfs/dbraw/zinc/84/07/77/652840777.db2.gz IEKSPMRXWRVNSM-LBPRGKRZSA-N 1 2 399.220 2.112 20 5 GEBDLO Cn1cc(C[NH+]2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)cn1 ZINC000765494061 652841170 /nfs/dbraw/zinc/84/11/70/652841170.db2.gz KNDLAECXQHVTCV-UHFFFAOYSA-N 1 2 380.246 2.413 20 5 GEBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000768931254 653138623 /nfs/dbraw/zinc/13/86/23/653138623.db2.gz RJTHIGZEFZZXAQ-LLVKDONJSA-N 1 2 383.246 2.347 20 5 GEBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000768931254 653138627 /nfs/dbraw/zinc/13/86/27/653138627.db2.gz RJTHIGZEFZZXAQ-LLVKDONJSA-N 1 2 383.246 2.347 20 5 GEBDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809963735 653315080 /nfs/dbraw/zinc/31/50/80/653315080.db2.gz ZMLCIQYZEHXHJO-HSZRJFAPSA-N 1 2 380.297 2.398 20 5 GEBDLO CN(CC(=O)N[C@H]1CCn2c[nH+]cc21)c1cc(Br)ccc1[N+](=O)[O-] ZINC000857977395 653345605 /nfs/dbraw/zinc/34/56/05/653345605.db2.gz DGYFQCIWWDJLBX-NSHDSACASA-N 1 2 394.229 2.251 20 5 GEBDLO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704562 653660853 /nfs/dbraw/zinc/66/08/53/653660853.db2.gz VLFQNJCBBSOOPN-HUUCEWRRSA-N 1 2 382.258 2.195 20 5 GEBDLO Cn1cc(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000880222451 653701122 /nfs/dbraw/zinc/70/11/22/653701122.db2.gz RXNWRAVVCOATNF-OTVXOJSOSA-N 1 2 381.230 2.231 20 5 GEBDLO C[C@@H](CC(=O)N(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845445606 653848584 /nfs/dbraw/zinc/84/85/84/653848584.db2.gz QSARXIBXIBDCRV-JTQLQIEISA-N 1 2 386.817 2.243 20 5 GEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795251405 653940797 /nfs/dbraw/zinc/94/07/97/653940797.db2.gz FJLPCKZKSRLJHT-LLVKDONJSA-N 1 2 396.245 2.195 20 5 GEBDLO C[S@](=O)CC[NH+]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892657519 654356398 /nfs/dbraw/zinc/35/63/98/654356398.db2.gz NPNOGOMZGVKGKB-VWLOTQADSA-N 1 2 382.873 2.297 20 5 GEBDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000931675092 654752964 /nfs/dbraw/zinc/75/29/64/654752964.db2.gz BBIRMFYTOXNBQG-CYBMUJFWSA-N 1 2 375.219 2.225 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3cc(F)c(Br)cc3C2)c1 ZINC000933141174 654803543 /nfs/dbraw/zinc/80/35/43/654803543.db2.gz KKPIGPIYRWKSBD-CYBMUJFWSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cc(F)c(Br)cc3C2)c1 ZINC000933141174 654803545 /nfs/dbraw/zinc/80/35/45/654803545.db2.gz KKPIGPIYRWKSBD-CYBMUJFWSA-N 1 2 399.220 2.112 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001165008441 721696696 /nfs/dbraw/zinc/69/66/96/721696696.db2.gz JFOMZSWHFJPJEB-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001165008441 721696703 /nfs/dbraw/zinc/69/67/03/721696703.db2.gz JFOMZSWHFJPJEB-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO CC(C)(CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000152900703 531576980 /nfs/dbraw/zinc/57/69/80/531576980.db2.gz LOPUDFZVHRMISP-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO Cc1c(Cl)cc(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000032437964 531651367 /nfs/dbraw/zinc/65/13/67/531651367.db2.gz QQGRYJSPVATCNF-UHFFFAOYSA-N 1 2 384.845 2.496 20 5 GEBDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000055580111 531793886 /nfs/dbraw/zinc/79/38/86/531793886.db2.gz ULHOWWDSXJOAJK-RYUDHWBXSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120745407 531992567 /nfs/dbraw/zinc/99/25/67/531992567.db2.gz QLGMUFHGATYZSV-MNOVXSKESA-N 1 2 386.246 2.389 20 5 GEBDLO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120745407 531992570 /nfs/dbraw/zinc/99/25/70/531992570.db2.gz QLGMUFHGATYZSV-MNOVXSKESA-N 1 2 386.246 2.389 20 5 GEBDLO O=C1NCCN1C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425404634 532385396 /nfs/dbraw/zinc/38/53/96/532385396.db2.gz JYWJWVKYRZWIFG-UHFFFAOYSA-N 1 2 383.246 2.347 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cc(Br)cc(F)c3C2)c1 ZINC000561206038 532431801 /nfs/dbraw/zinc/43/18/01/532431801.db2.gz LUKPXBVMPAMIDZ-ZDUSSCGKSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cc(Br)cc(F)c3C2)c1 ZINC000561206038 532431805 /nfs/dbraw/zinc/43/18/05/532431805.db2.gz LUKPXBVMPAMIDZ-ZDUSSCGKSA-N 1 2 399.220 2.112 20 5 GEBDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432990337 532551637 /nfs/dbraw/zinc/55/16/37/532551637.db2.gz ZRGFSFFFPUQUNO-SECBINFHSA-N 1 2 380.202 2.437 20 5 GEBDLO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1[nH+]ccn1C ZINC000595382474 532562657 /nfs/dbraw/zinc/56/26/57/532562657.db2.gz JCZBDRYJPWSSPP-QMMMGPOBSA-N 1 2 378.332 2.387 20 5 GEBDLO O=[N+]([O-])c1cncc(Br)c1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375659185 532573474 /nfs/dbraw/zinc/57/34/74/532573474.db2.gz VNOVRHNVDACKIM-ZDUSSCGKSA-N 1 2 382.218 2.425 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598001327 532636774 /nfs/dbraw/zinc/63/67/74/532636774.db2.gz ZECJEVQHYWNRSI-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598001327 532636778 /nfs/dbraw/zinc/63/67/78/532636778.db2.gz ZECJEVQHYWNRSI-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412062784 532784259 /nfs/dbraw/zinc/78/42/59/532784259.db2.gz BPYBKKPMTRCRDM-JTQLQIEISA-N 1 2 387.845 2.025 20 5 GEBDLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412062784 532784261 /nfs/dbraw/zinc/78/42/61/532784261.db2.gz BPYBKKPMTRCRDM-JTQLQIEISA-N 1 2 387.845 2.025 20 5 GEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000330631205 532823349 /nfs/dbraw/zinc/82/33/49/532823349.db2.gz FJJIDPGUNKDRNZ-VHSXEESVSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000330631205 532823350 /nfs/dbraw/zinc/82/33/50/532823350.db2.gz FJJIDPGUNKDRNZ-VHSXEESVSA-N 1 2 381.376 2.327 20 5 GEBDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359992430 206276769 /nfs/dbraw/zinc/27/67/69/206276769.db2.gz HRWPUGUQHJCJAY-UHFFFAOYSA-N 1 2 389.375 2.291 20 5 GEBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738370389 598251875 /nfs/dbraw/zinc/25/18/75/598251875.db2.gz POWCKEBHRMJCSY-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO O=[N+]([O-])c1ccc2nc(NCc3cn4c([nH+]3)CCCC4)cc(-c3nn[nH]n3)c2c1 ZINC000823645939 599519645 /nfs/dbraw/zinc/51/96/45/599519645.db2.gz XBNMEPLLULSUMW-UHFFFAOYSA-N 1 2 391.395 2.468 20 5 GEBDLO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000826498722 607567785 /nfs/dbraw/zinc/56/77/85/607567785.db2.gz HCVFWMMSHKKTCS-UHFFFAOYSA-N 1 2 395.423 2.219 20 5 GEBDLO O=[N+]([O-])c1cc(NCc2ccccc2C[NH+]2CCOCC2)ccc1-c1nn[nH]n1 ZINC000823635247 606645310 /nfs/dbraw/zinc/64/53/10/606645310.db2.gz UIXXQUSMSSXCIE-UHFFFAOYSA-N 1 2 395.423 2.219 20 5 GEBDLO C[C@@H](c1cccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000820561902 606708051 /nfs/dbraw/zinc/70/80/51/606708051.db2.gz BIWDGGAEDMPXQS-LBPRGKRZSA-N 1 2 396.411 2.307 20 5 GEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826498953 608585396 /nfs/dbraw/zinc/58/53/96/608585396.db2.gz PSNQJNZYNWFHAV-UHFFFAOYSA-N 1 2 395.423 2.193 20 5 GEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826498953 608585397 /nfs/dbraw/zinc/58/53/97/608585397.db2.gz PSNQJNZYNWFHAV-UHFFFAOYSA-N 1 2 395.423 2.193 20 5 GEBDLO COc1cc(CCNc2[nH+]ccc(C)c2-c2nn[nH]n2)c([N+](=O)[O-])cc1OC ZINC000826178565 609524280 /nfs/dbraw/zinc/52/42/80/609524280.db2.gz CWOAGWWPKPSFBO-UHFFFAOYSA-N 1 2 385.384 2.150 20 5 GEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000511936613 650542592 /nfs/dbraw/zinc/54/25/92/650542592.db2.gz AUUGYPOZOCSQPF-UHFFFAOYSA-N 1 2 381.479 2.205 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000066000207 642893988 /nfs/dbraw/zinc/89/39/88/642893988.db2.gz RMJGGVNZRIJWCK-UHFFFAOYSA-N 1 2 378.435 2.380 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159302289 644186102 /nfs/dbraw/zinc/18/61/02/644186102.db2.gz AMKGGEFWXIARJK-LBPRGKRZSA-N 1 2 382.829 2.200 20 5 GEBDLO COCC[NH+]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000163102104 644248197 /nfs/dbraw/zinc/24/81/97/644248197.db2.gz QEDSPWONDBSFOL-UHFFFAOYSA-N 1 2 386.246 2.070 20 5 GEBDLO C[N@@H+]1CC[C@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272157809 646258246 /nfs/dbraw/zinc/25/82/46/646258246.db2.gz FGDOLKZCPKVMFA-HZMBPMFUSA-N 1 2 375.397 2.122 20 5 GEBDLO C[N@H+]1CC[C@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272157809 646258250 /nfs/dbraw/zinc/25/82/50/646258250.db2.gz FGDOLKZCPKVMFA-HZMBPMFUSA-N 1 2 375.397 2.122 20 5 GEBDLO NS(=O)(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293714001 647218333 /nfs/dbraw/zinc/21/83/33/647218333.db2.gz DZZRILZGJVADAO-UHFFFAOYSA-N 1 2 381.376 2.114 20 5 GEBDLO C[C@@H]1C[C@H](Nc2c(I)cncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000418890636 648321656 /nfs/dbraw/zinc/32/16/56/648321656.db2.gz WLFYDJRRXKPKJI-BDAKNGLRSA-N 1 2 388.209 2.053 20 5 GEBDLO C[C@@H]1C[C@H](Nc2c(I)cncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000418890636 648321657 /nfs/dbraw/zinc/32/16/57/648321657.db2.gz WLFYDJRRXKPKJI-BDAKNGLRSA-N 1 2 388.209 2.053 20 5 GEBDLO COc1ccsc1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421393245 648490071 /nfs/dbraw/zinc/49/00/71/648490071.db2.gz VZOLZDKIWOIAAE-UHFFFAOYSA-N 1 2 385.467 2.075 20 5 GEBDLO COc1ccsc1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421393245 648490075 /nfs/dbraw/zinc/49/00/75/648490075.db2.gz VZOLZDKIWOIAAE-UHFFFAOYSA-N 1 2 385.467 2.075 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c(F)cc(Br)cc3C2)c1 ZINC000610724106 651678694 /nfs/dbraw/zinc/67/86/94/651678694.db2.gz PXXBHHQXCILSPJ-ZDUSSCGKSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c(F)cc(Br)cc3C2)c1 ZINC000610724106 651678698 /nfs/dbraw/zinc/67/86/98/651678698.db2.gz PXXBHHQXCILSPJ-ZDUSSCGKSA-N 1 2 399.220 2.112 20 5 GEBDLO CC1(C)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000589266214 652564383 /nfs/dbraw/zinc/56/43/83/652564383.db2.gz FBVCXKBJTDJAKA-GFCCVEGCSA-N 1 2 376.194 2.402 20 5 GEBDLO CC1(C)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000589266214 652564385 /nfs/dbraw/zinc/56/43/85/652564385.db2.gz FBVCXKBJTDJAKA-GFCCVEGCSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000599349247 652863059 /nfs/dbraw/zinc/86/30/59/652863059.db2.gz NSRFEJSWWXPWPW-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000768560767 653117407 /nfs/dbraw/zinc/11/74/07/653117407.db2.gz DWVARDHWSJSXNO-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000768560767 653117410 /nfs/dbraw/zinc/11/74/10/653117410.db2.gz DWVARDHWSJSXNO-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO O=C(OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1I ZINC000771943138 653133728 /nfs/dbraw/zinc/13/37/28/653133728.db2.gz KCBOZRGMWVJSHB-UHFFFAOYSA-N 1 2 387.133 2.253 20 5 GEBDLO Cn1cc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602707870 653201263 /nfs/dbraw/zinc/20/12/63/653201263.db2.gz JYWMDHSYATZHEN-UHFFFAOYSA-N 1 2 380.246 2.413 20 5 GEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809830665 653305511 /nfs/dbraw/zinc/30/55/11/653305511.db2.gz YWZZLKMRMUJZAY-NXEZZACHSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809830665 653305517 /nfs/dbraw/zinc/30/55/17/653305517.db2.gz YWZZLKMRMUJZAY-NXEZZACHSA-N 1 2 379.841 2.491 20 5 GEBDLO COC(=O)[C@@H]1CSCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840185518 653679000 /nfs/dbraw/zinc/67/90/00/653679000.db2.gz GACQVBLJMBXQIG-NSHDSACASA-N 1 2 384.845 2.393 20 5 GEBDLO COC(=O)[C@@H]1CSCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840185518 653679003 /nfs/dbraw/zinc/67/90/03/653679003.db2.gz GACQVBLJMBXQIG-NSHDSACASA-N 1 2 384.845 2.393 20 5 GEBDLO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCn2c[nH+]cc2C1 ZINC000881864101 653744460 /nfs/dbraw/zinc/74/44/60/653744460.db2.gz KOCSTCKBCZDETK-JTQLQIEISA-N 1 2 379.214 2.433 20 5 GEBDLO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000819736026 653756536 /nfs/dbraw/zinc/75/65/36/653756536.db2.gz AIGXKRFFOXOMLV-BXUZGUMPSA-N 1 2 385.262 2.051 20 5 GEBDLO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000882017103 653757375 /nfs/dbraw/zinc/75/73/75/653757375.db2.gz FHIRLIQAKQHCHF-NSHDSACASA-N 1 2 384.845 2.468 20 5 GEBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000896205040 653868907 /nfs/dbraw/zinc/86/89/07/653868907.db2.gz OWGSMVUMPJAWMM-MRVPVSSYSA-N 1 2 380.203 2.179 20 5 GEBDLO CO[C@H]1CC[C@H]1[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000902637189 654189829 /nfs/dbraw/zinc/18/98/29/654189829.db2.gz GOICYCXHPRMDRS-OCCSQVGLSA-N 1 2 384.230 2.380 20 5 GEBDLO CO[C@H]1CC[C@H]1[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000902637189 654189831 /nfs/dbraw/zinc/18/98/31/654189831.db2.gz GOICYCXHPRMDRS-OCCSQVGLSA-N 1 2 384.230 2.380 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001165011393 721702274 /nfs/dbraw/zinc/70/22/74/721702274.db2.gz RWDBAJHCZKELLH-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001165011393 721702275 /nfs/dbraw/zinc/70/22/75/721702275.db2.gz RWDBAJHCZKELLH-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO CCOc1nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)ccc1[N+](=O)[O-] ZINC001164917855 721817714 /nfs/dbraw/zinc/81/77/14/721817714.db2.gz JTKKRLZQMOPKFE-UHFFFAOYSA-N 1 2 386.456 2.335 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C2 ZINC000121336869 532023613 /nfs/dbraw/zinc/02/36/13/532023613.db2.gz UJSAPFSGKMCYQU-NSHDSACASA-N 1 2 384.845 2.355 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000179586288 532237069 /nfs/dbraw/zinc/23/70/69/532237069.db2.gz DNEIMFLMWWUWJQ-UHFFFAOYSA-N 1 2 378.332 2.179 20 5 GEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000182993913 532320615 /nfs/dbraw/zinc/32/06/15/532320615.db2.gz NRKXXFZGISJVQM-ZDUSSCGKSA-N 1 2 385.873 2.320 20 5 GEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000182993913 532320616 /nfs/dbraw/zinc/32/06/16/532320616.db2.gz NRKXXFZGISJVQM-ZDUSSCGKSA-N 1 2 385.873 2.320 20 5 GEBDLO C[C@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+]1CCOCC1 ZINC000192347000 532403344 /nfs/dbraw/zinc/40/33/44/532403344.db2.gz DKZRYGZDJWLFBF-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000198367029 532481234 /nfs/dbraw/zinc/48/12/34/532481234.db2.gz CNNGMXIMDUAQNV-NSHDSACASA-N 1 2 397.273 2.146 20 5 GEBDLO CCc1nnc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)[nH]1 ZINC000296033622 532495224 /nfs/dbraw/zinc/49/52/24/532495224.db2.gz NMZJMVWXIKONHM-UHFFFAOYSA-N 1 2 387.181 2.170 20 5 GEBDLO CC(C)SCC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000283418800 532539175 /nfs/dbraw/zinc/53/91/75/532539175.db2.gz FSHACEBMWABRGP-UHFFFAOYSA-N 1 2 387.527 2.262 20 5 GEBDLO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432990338 532551436 /nfs/dbraw/zinc/55/14/36/532551436.db2.gz ZRGFSFFFPUQUNO-VIFPVBQESA-N 1 2 380.202 2.437 20 5 GEBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000284403704 532590954 /nfs/dbraw/zinc/59/09/54/532590954.db2.gz QVAXFQLSTUKQEU-UHFFFAOYSA-N 1 2 386.246 2.070 20 5 GEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000565768254 532577027 /nfs/dbraw/zinc/57/70/27/532577027.db2.gz ZQYUQDVGQVHJKE-UHFFFAOYSA-N 1 2 396.245 2.433 20 5 GEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000565768254 532577029 /nfs/dbraw/zinc/57/70/29/532577029.db2.gz ZQYUQDVGQVHJKE-UHFFFAOYSA-N 1 2 396.245 2.433 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000375715136 532577278 /nfs/dbraw/zinc/57/72/78/532577278.db2.gz BDDAWTONMXHNAK-UHFFFAOYSA-N 1 2 388.808 2.399 20 5 GEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000567095544 532640531 /nfs/dbraw/zinc/64/05/31/532640531.db2.gz CJJUBOUOPUPJBO-UHFFFAOYSA-N 1 2 376.316 2.056 20 5 GEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285995710 532725046 /nfs/dbraw/zinc/72/50/46/532725046.db2.gz YBAJLCQSMSAYSA-DGCLKSJQSA-N 1 2 398.257 2.293 20 5 GEBDLO CC(C)C[NH+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301226896 532745199 /nfs/dbraw/zinc/74/51/99/532745199.db2.gz FJFYCQNDZIUBRP-UHFFFAOYSA-N 1 2 377.413 2.369 20 5 GEBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501113744 532736975 /nfs/dbraw/zinc/73/69/75/532736975.db2.gz UCRRZKMNVZGXHT-JTQLQIEISA-N 1 2 387.234 2.200 20 5 GEBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501113744 532736980 /nfs/dbraw/zinc/73/69/80/532736980.db2.gz UCRRZKMNVZGXHT-JTQLQIEISA-N 1 2 387.234 2.200 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C(C)(C)C1 ZINC000501147081 532738085 /nfs/dbraw/zinc/73/80/85/532738085.db2.gz PNLOJVIJCSJMIL-UHFFFAOYSA-N 1 2 381.376 2.328 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C(C)(C)C1 ZINC000501147081 532738089 /nfs/dbraw/zinc/73/80/89/532738089.db2.gz PNLOJVIJCSJMIL-UHFFFAOYSA-N 1 2 381.376 2.328 20 5 GEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1 ZINC000302218513 532768797 /nfs/dbraw/zinc/76/87/97/532768797.db2.gz KYOSJGTZHMPECF-UHFFFAOYSA-N 1 2 378.230 2.470 20 5 GEBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290106353 532872577 /nfs/dbraw/zinc/87/25/77/532872577.db2.gz XGFMTMQPPMFZMS-UHFFFAOYSA-N 1 2 382.269 2.415 20 5 GEBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416375187 532873010 /nfs/dbraw/zinc/87/30/10/532873010.db2.gz RGUOXMVWSIGWDG-VIFPVBQESA-N 1 2 378.332 2.177 20 5 GEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290725605 532887739 /nfs/dbraw/zinc/88/77/39/532887739.db2.gz XYZMXZQLSMHIOV-NEPJUHHUSA-N 1 2 398.257 2.293 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c(Cl)c1 ZINC000364136590 532903866 /nfs/dbraw/zinc/90/38/66/532903866.db2.gz RCFIZJOFXSALIU-LBPRGKRZSA-N 1 2 391.902 2.060 20 5 GEBDLO O=[N+]([O-])c1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1-c1nn[nH]n1 ZINC000823634429 606645095 /nfs/dbraw/zinc/64/50/95/606645095.db2.gz FCSVGLWWAUJGKQ-SFHVURJKSA-N 1 2 395.423 2.260 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000507907265 650469614 /nfs/dbraw/zinc/46/96/14/650469614.db2.gz UPOZRDJYKFZOMZ-NXEZZACHSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000507907265 650469616 /nfs/dbraw/zinc/46/96/16/650469616.db2.gz UPOZRDJYKFZOMZ-NXEZZACHSA-N 1 2 381.376 2.327 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)C1 ZINC000511292650 650532347 /nfs/dbraw/zinc/53/23/47/650532347.db2.gz XPWFQDNYGGHPSX-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)C1 ZINC000511292650 650532349 /nfs/dbraw/zinc/53/23/49/650532349.db2.gz XPWFQDNYGGHPSX-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000261863789 645606625 /nfs/dbraw/zinc/60/66/25/645606625.db2.gz RLOAUJKNXXHCIJ-GFCCVEGCSA-N 1 2 383.451 2.000 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1 ZINC000271065949 646169997 /nfs/dbraw/zinc/16/99/97/646169997.db2.gz UKDNIZNTNLLTCR-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1 ZINC000271065949 646170002 /nfs/dbraw/zinc/17/00/02/646170002.db2.gz UKDNIZNTNLLTCR-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[N@@H+]1CC[C@@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272157812 646258004 /nfs/dbraw/zinc/25/80/04/646258004.db2.gz FGDOLKZCPKVMFA-QMTHXVAHSA-N 1 2 375.397 2.122 20 5 GEBDLO C[N@H+]1CC[C@@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272157812 646258008 /nfs/dbraw/zinc/25/80/08/646258008.db2.gz FGDOLKZCPKVMFA-QMTHXVAHSA-N 1 2 375.397 2.122 20 5 GEBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000367558834 647738407 /nfs/dbraw/zinc/73/84/07/647738407.db2.gz GKHVSVWZCWLYBF-SECBINFHSA-N 1 2 388.808 2.299 20 5 GEBDLO COCC[N@H+](C)Cc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603238967 651473302 /nfs/dbraw/zinc/47/33/02/651473302.db2.gz CPGCKCKMEOILKE-UHFFFAOYSA-N 1 2 384.234 2.075 20 5 GEBDLO COCC[N@@H+](C)Cc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603238967 651473303 /nfs/dbraw/zinc/47/33/03/651473303.db2.gz CPGCKCKMEOILKE-UHFFFAOYSA-N 1 2 384.234 2.075 20 5 GEBDLO Cn1cc(C[NH+]2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)cn1 ZINC000769307918 653148015 /nfs/dbraw/zinc/14/80/15/653148015.db2.gz LVCTUCVXGGGPQD-UHFFFAOYSA-N 1 2 394.273 2.409 20 5 GEBDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000602670915 653199587 /nfs/dbraw/zinc/19/95/87/653199587.db2.gz HSRBKGFAJSELBB-GFCCVEGCSA-N 1 2 381.376 2.079 20 5 GEBDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000602670915 653199590 /nfs/dbraw/zinc/19/95/90/653199590.db2.gz HSRBKGFAJSELBB-GFCCVEGCSA-N 1 2 381.376 2.079 20 5 GEBDLO COc1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)on1 ZINC000602713632 653202258 /nfs/dbraw/zinc/20/22/58/653202258.db2.gz NRMKXEPRQRMUTG-UHFFFAOYSA-N 1 2 389.149 2.486 20 5 GEBDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000876762189 653446775 /nfs/dbraw/zinc/44/67/75/653446775.db2.gz BRVGNVZORIKVFQ-VWLOTQADSA-N 1 2 379.404 2.110 20 5 GEBDLO Cn1nnnc1C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000877781469 653619927 /nfs/dbraw/zinc/61/99/27/653619927.db2.gz IJWAOKIHMRNCSR-UHFFFAOYSA-N 1 2 381.234 2.260 20 5 GEBDLO COCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839466167 653650284 /nfs/dbraw/zinc/65/02/84/653650284.db2.gz VTQQVWFKNFMQJM-UHFFFAOYSA-N 1 2 386.246 2.084 20 5 GEBDLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839675544 653660017 /nfs/dbraw/zinc/66/00/17/653660017.db2.gz DARVGNMUDFXKFR-SNVBAGLBSA-N 1 2 387.845 2.025 20 5 GEBDLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839675544 653660019 /nfs/dbraw/zinc/66/00/19/653660019.db2.gz DARVGNMUDFXKFR-SNVBAGLBSA-N 1 2 387.845 2.025 20 5 GEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000816642005 653689586 /nfs/dbraw/zinc/68/95/86/653689586.db2.gz MNOOLTLTQLXLCW-LBPRGKRZSA-N 1 2 396.245 2.278 20 5 GEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000816642005 653689587 /nfs/dbraw/zinc/68/95/87/653689587.db2.gz MNOOLTLTQLXLCW-LBPRGKRZSA-N 1 2 396.245 2.278 20 5 GEBDLO Cn1c[nH+]c(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC000841536460 653729378 /nfs/dbraw/zinc/72/93/78/653729378.db2.gz BHXYLLHPMPPKGU-UHFFFAOYSA-N 1 2 379.225 2.156 20 5 GEBDLO CN(CC(=O)NCCCn1cc[nH+]c1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794606513 653913472 /nfs/dbraw/zinc/91/34/72/653913472.db2.gz WTLLNQFXCDPOIF-UHFFFAOYSA-N 1 2 396.245 2.197 20 5 GEBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000825727012 653938660 /nfs/dbraw/zinc/93/86/60/653938660.db2.gz FMYIWBMGGMXPFS-JTQLQIEISA-N 1 2 380.202 2.426 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000795432875 653952300 /nfs/dbraw/zinc/95/23/00/653952300.db2.gz CLKQGMRPNAACTN-INIZCTEOSA-N 1 2 396.241 2.383 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000795432875 653952302 /nfs/dbraw/zinc/95/23/02/653952302.db2.gz CLKQGMRPNAACTN-INIZCTEOSA-N 1 2 396.241 2.383 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000798226722 654055330 /nfs/dbraw/zinc/05/53/30/654055330.db2.gz UGYCUHYZXHQYLW-UHFFFAOYSA-N 1 2 377.825 2.104 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000830191239 654104952 /nfs/dbraw/zinc/10/49/52/654104952.db2.gz ZBZAFBSLBHRIDR-QMMMGPOBSA-N 1 2 380.253 2.417 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000830191239 654104955 /nfs/dbraw/zinc/10/49/55/654104955.db2.gz ZBZAFBSLBHRIDR-QMMMGPOBSA-N 1 2 380.253 2.417 20 5 GEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832414950 654265096 /nfs/dbraw/zinc/26/50/96/654265096.db2.gz NGRVSQGRTJTAPJ-SNVBAGLBSA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832414950 654265102 /nfs/dbraw/zinc/26/51/02/654265102.db2.gz NGRVSQGRTJTAPJ-SNVBAGLBSA-N 1 2 379.841 2.492 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853590161 654306881 /nfs/dbraw/zinc/30/68/81/654306881.db2.gz MHDCUAJWDFRUCS-ZYHUDNBSSA-N 1 2 396.241 2.239 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853590161 654306888 /nfs/dbraw/zinc/30/68/88/654306888.db2.gz MHDCUAJWDFRUCS-ZYHUDNBSSA-N 1 2 396.241 2.239 20 5 GEBDLO Cn1cc(C[NH+]2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)cn1 ZINC000856728946 654487429 /nfs/dbraw/zinc/48/74/29/654487429.db2.gz BCGYCDYCTNANAE-UHFFFAOYSA-N 1 2 380.246 2.413 20 5 GEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000930576082 654714289 /nfs/dbraw/zinc/71/42/89/654714289.db2.gz HVDZSODBGDEQLO-CQSZACIVSA-N 1 2 396.245 2.278 20 5 GEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000930576082 654714290 /nfs/dbraw/zinc/71/42/90/654714290.db2.gz HVDZSODBGDEQLO-CQSZACIVSA-N 1 2 396.245 2.278 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000026839680 531618537 /nfs/dbraw/zinc/61/85/37/531618537.db2.gz MLBTXLWSGHYCLD-LBPRGKRZSA-N 1 2 381.479 2.381 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000026839680 531618554 /nfs/dbraw/zinc/61/85/54/531618554.db2.gz MLBTXLWSGHYCLD-LBPRGKRZSA-N 1 2 381.479 2.381 20 5 GEBDLO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120745261 531992604 /nfs/dbraw/zinc/99/26/04/531992604.db2.gz QLGMUFHGATYZSV-QWRGUYRKSA-N 1 2 386.246 2.389 20 5 GEBDLO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120745261 531992609 /nfs/dbraw/zinc/99/26/09/531992609.db2.gz QLGMUFHGATYZSV-QWRGUYRKSA-N 1 2 386.246 2.389 20 5 GEBDLO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000120855866 531998516 /nfs/dbraw/zinc/99/85/16/531998516.db2.gz QJWKLBYLCGICIO-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CC1 ZINC000278032764 532370562 /nfs/dbraw/zinc/37/05/62/532370562.db2.gz UNYMHEOELIDZAG-UHFFFAOYSA-N 1 2 385.873 2.321 20 5 GEBDLO Cc1cn2c([nH+]1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000374693948 532514058 /nfs/dbraw/zinc/51/40/58/532514058.db2.gz MTNHGGKYDPUWNH-UHFFFAOYSA-N 1 2 379.214 2.447 20 5 GEBDLO C[NH+](C)C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000594782283 532527221 /nfs/dbraw/zinc/52/72/21/532527221.db2.gz VGEULZZZUHGAFU-CYBMUJFWSA-N 1 2 384.845 2.224 20 5 GEBDLO CN(C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)S(C)(=O)=O ZINC000285468487 532683479 /nfs/dbraw/zinc/68/34/79/532683479.db2.gz BTPFTMIQVLRAEI-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)S(C)(=O)=O ZINC000285468487 532683482 /nfs/dbraw/zinc/68/34/82/532683482.db2.gz BTPFTMIQVLRAEI-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290061867 532871869 /nfs/dbraw/zinc/87/18/69/532871869.db2.gz SPKMMGMBRJRMHP-VIFPVBQESA-N 1 2 382.269 2.402 20 5 GEBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290061867 532871870 /nfs/dbraw/zinc/87/18/70/532871870.db2.gz SPKMMGMBRJRMHP-VIFPVBQESA-N 1 2 382.269 2.402 20 5 GEBDLO CC(C)[C@H]1CN(c2c(I)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000418933122 532881876 /nfs/dbraw/zinc/88/18/76/532881876.db2.gz DHMDVTPPLARVGP-GFCCVEGCSA-N 1 2 390.225 2.371 20 5 GEBDLO CC(C)[C@H]1CN(c2c(I)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000418933122 532881877 /nfs/dbraw/zinc/88/18/77/532881877.db2.gz DHMDVTPPLARVGP-GFCCVEGCSA-N 1 2 390.225 2.371 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C2 ZINC000367144478 532923075 /nfs/dbraw/zinc/92/30/75/532923075.db2.gz OEVOFMSVHYCEBP-SECBINFHSA-N 1 2 388.808 2.186 20 5 GEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000738361128 598256600 /nfs/dbraw/zinc/25/66/00/598256600.db2.gz VBTXHAFOVDQMCM-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000507907277 650469680 /nfs/dbraw/zinc/46/96/80/650469680.db2.gz UPOZRDJYKFZOMZ-VHSXEESVSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000507907277 650469681 /nfs/dbraw/zinc/46/96/81/650469681.db2.gz UPOZRDJYKFZOMZ-VHSXEESVSA-N 1 2 381.376 2.327 20 5 GEBDLO CN(C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000511121658 650526911 /nfs/dbraw/zinc/52/69/11/650526911.db2.gz LPKKERCCXVLHMC-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000511121658 650526916 /nfs/dbraw/zinc/52/69/16/650526916.db2.gz LPKKERCCXVLHMC-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000101570074 643108862 /nfs/dbraw/zinc/10/88/62/643108862.db2.gz XQRPYAGIRBGZKZ-RYUDHWBXSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000101570076 643109076 /nfs/dbraw/zinc/10/90/76/643109076.db2.gz XQRPYAGIRBGZKZ-VXGBXAGGSA-N 1 2 391.877 2.026 20 5 GEBDLO CCN(C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000116279657 643456307 /nfs/dbraw/zinc/45/63/07/643456307.db2.gz OOHMNFVEUVHVIV-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159327359 644187719 /nfs/dbraw/zinc/18/77/19/644187719.db2.gz KEDCTXIFWYMRQM-GFCCVEGCSA-N 1 2 382.829 2.200 20 5 GEBDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000253602784 645571000 /nfs/dbraw/zinc/57/10/00/645571000.db2.gz FNNBDGBQSWDVGR-RYUDHWBXSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287480680 646888052 /nfs/dbraw/zinc/88/80/52/646888052.db2.gz SZYJPLALBRIKIL-AAEUAGOBSA-N 1 2 398.257 2.293 20 5 GEBDLO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412038908 648041756 /nfs/dbraw/zinc/04/17/56/648041756.db2.gz HNTJUDNYKMOFIQ-GVXVVHGQSA-N 1 2 398.257 2.389 20 5 GEBDLO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412038908 648041767 /nfs/dbraw/zinc/04/17/67/648041767.db2.gz HNTJUDNYKMOFIQ-GVXVVHGQSA-N 1 2 398.257 2.389 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000416490210 648146379 /nfs/dbraw/zinc/14/63/79/648146379.db2.gz URRLUPOXQNBXDS-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000416490210 648146382 /nfs/dbraw/zinc/14/63/82/648146382.db2.gz URRLUPOXQNBXDS-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425422894 648675874 /nfs/dbraw/zinc/67/58/74/648675874.db2.gz PXCWSRFGOWGAPY-CQSZACIVSA-N 1 2 387.230 2.103 20 5 GEBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000615730417 651872935 /nfs/dbraw/zinc/87/29/35/651872935.db2.gz GEZKTJLULDTUNY-UHFFFAOYSA-N 1 2 384.435 2.121 20 5 GEBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000577787362 652216166 /nfs/dbraw/zinc/21/61/66/652216166.db2.gz MWSNUWRIWGUQPL-SNVBAGLBSA-N 1 2 387.234 2.049 20 5 GEBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000577787362 652216171 /nfs/dbraw/zinc/21/61/71/652216171.db2.gz MWSNUWRIWGUQPL-SNVBAGLBSA-N 1 2 387.234 2.049 20 5 GEBDLO Cn1c(Cl)nc(Cl)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000757958062 652527068 /nfs/dbraw/zinc/52/70/68/652527068.db2.gz RCJFENGQVKKMFV-UHFFFAOYSA-N 1 2 393.252 2.199 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949121 652842278 /nfs/dbraw/zinc/84/22/78/652842278.db2.gz UAJMFMUVCWOQIW-NSHDSACASA-N 1 2 379.214 2.228 20 5 GEBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1I ZINC000771910655 653131802 /nfs/dbraw/zinc/13/18/02/653131802.db2.gz INERFHRMBUDVIN-UHFFFAOYSA-N 1 2 387.133 2.253 20 5 GEBDLO Cn1cc(C[NH+]2CCN(c3cccc(Br)c3)CC2)c([N+](=O)[O-])n1 ZINC000602656830 653198715 /nfs/dbraw/zinc/19/87/15/653198715.db2.gz YOORNFWVJMHLOJ-UHFFFAOYSA-N 1 2 380.246 2.413 20 5 GEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809830666 653305343 /nfs/dbraw/zinc/30/53/43/653305343.db2.gz YWZZLKMRMUJZAY-UWVGGRQHSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809830666 653305352 /nfs/dbraw/zinc/30/53/52/653305352.db2.gz YWZZLKMRMUJZAY-UWVGGRQHSA-N 1 2 379.841 2.491 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c(Cl)cc1Cl ZINC000809833620 653306503 /nfs/dbraw/zinc/30/65/03/653306503.db2.gz KODKNHTVTMZOAY-QMMMGPOBSA-N 1 2 391.236 2.391 20 5 GEBDLO C[C@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H](C)CO1 ZINC000857309285 653308777 /nfs/dbraw/zinc/30/87/77/653308777.db2.gz YZPLKVLWMBMABD-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H](C)CO1 ZINC000857309285 653308785 /nfs/dbraw/zinc/30/87/85/653308785.db2.gz YZPLKVLWMBMABD-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO COC(=O)[C@@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839524467 653653724 /nfs/dbraw/zinc/65/37/24/653653724.db2.gz GYGZBUXGIIBUOQ-AWEZNQCLSA-N 1 2 387.230 2.103 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000840951409 653703279 /nfs/dbraw/zinc/70/32/79/653703279.db2.gz WFYIMRFUTNOLIW-SECBINFHSA-N 1 2 376.797 2.198 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792892582 653854897 /nfs/dbraw/zinc/85/48/97/653854897.db2.gz PUCKGZOQLIXORQ-LBPRGKRZSA-N 1 2 384.274 2.436 20 5 GEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc([N+](=O)[O-])ncc1Br ZINC000825600544 653935281 /nfs/dbraw/zinc/93/52/81/653935281.db2.gz MNGMPMAEWKYWGP-UHFFFAOYSA-N 1 2 391.225 2.498 20 5 GEBDLO CN(CC(=O)OCc1c[nH+]cn1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000797100179 654018391 /nfs/dbraw/zinc/01/83/91/654018391.db2.gz BAODYZBVQIKXRI-UHFFFAOYSA-N 1 2 383.202 2.270 20 5 GEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@@H+]1C1CC1 ZINC000798226769 654055265 /nfs/dbraw/zinc/05/52/65/654055265.db2.gz FISTXAIMMOPHJK-IUCAKERBSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@H+]1C1CC1 ZINC000798226769 654055267 /nfs/dbraw/zinc/05/52/67/654055267.db2.gz FISTXAIMMOPHJK-IUCAKERBSA-N 1 2 377.825 2.291 20 5 GEBDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000903208325 654226684 /nfs/dbraw/zinc/22/66/84/654226684.db2.gz HJVBRXXQKQYJCM-PHIMTYICSA-N 1 2 379.360 2.081 20 5 GEBDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000903208325 654226690 /nfs/dbraw/zinc/22/66/90/654226690.db2.gz HJVBRXXQKQYJCM-PHIMTYICSA-N 1 2 379.360 2.081 20 5 GEBDLO CN(CC(=O)OCCc1c[nH+]cn1C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802777306 654241474 /nfs/dbraw/zinc/24/14/74/654241474.db2.gz IGQUALFOEWCKGI-UHFFFAOYSA-N 1 2 397.229 2.313 20 5 GEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832414026 654265403 /nfs/dbraw/zinc/26/54/03/654265403.db2.gz BWDCTQLDUBOFIV-JTQLQIEISA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832414026 654265405 /nfs/dbraw/zinc/26/54/05/654265405.db2.gz BWDCTQLDUBOFIV-JTQLQIEISA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000832522983 654271605 /nfs/dbraw/zinc/27/16/05/654271605.db2.gz DCSKNCQTBGPIBQ-SNVBAGLBSA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000832522982 654271731 /nfs/dbraw/zinc/27/17/31/654271731.db2.gz DCSKNCQTBGPIBQ-JTQLQIEISA-N 1 2 379.841 2.492 20 5 GEBDLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930017770 654697562 /nfs/dbraw/zinc/69/75/62/654697562.db2.gz KLYCTEAWNDIPIB-CQSZACIVSA-N 1 2 375.219 2.415 20 5 GEBDLO COc1cc(C)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1[N+](=O)[O-] ZINC001164916464 721814844 /nfs/dbraw/zinc/81/48/44/721814844.db2.gz DZDHQXXEMKUCOA-UHFFFAOYSA-N 1 2 386.456 2.253 20 5 GEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172539441 531957895 /nfs/dbraw/zinc/95/78/95/531957895.db2.gz LNMMNLLYHBPYAC-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172539441 531957901 /nfs/dbraw/zinc/95/79/01/531957901.db2.gz LNMMNLLYHBPYAC-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177100806 532161933 /nfs/dbraw/zinc/16/19/33/532161933.db2.gz RZQVBNNKJOYPJJ-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177100806 532161938 /nfs/dbraw/zinc/16/19/38/532161938.db2.gz RZQVBNNKJOYPJJ-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000177191107 532164917 /nfs/dbraw/zinc/16/49/17/532164917.db2.gz WDBZKQKRHALPPA-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO Cc1c(Br)cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000129288608 532176630 /nfs/dbraw/zinc/17/66/30/532176630.db2.gz SEBABWFEVLIHTE-CYBMUJFWSA-N 1 2 398.257 2.259 20 5 GEBDLO Cc1c(Br)cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000129288608 532176636 /nfs/dbraw/zinc/17/66/36/532176636.db2.gz SEBABWFEVLIHTE-CYBMUJFWSA-N 1 2 398.257 2.259 20 5 GEBDLO CC1(C)C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC000192342633 532403665 /nfs/dbraw/zinc/40/36/65/532403665.db2.gz CERIZSWTSGNXRL-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC000192342633 532403659 /nfs/dbraw/zinc/40/36/59/532403659.db2.gz CERIZSWTSGNXRL-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO C[NH+](C)C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000594782284 532528000 /nfs/dbraw/zinc/52/80/00/532528000.db2.gz VGEULZZZUHGAFU-ZDUSSCGKSA-N 1 2 384.845 2.224 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000375055475 532530034 /nfs/dbraw/zinc/53/00/34/532530034.db2.gz CSSNZVOGXCXBTP-LBPRGKRZSA-N 1 2 398.257 2.212 20 5 GEBDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265440388 532696585 /nfs/dbraw/zinc/69/65/85/532696585.db2.gz IDYOQWYGOBVYIC-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301666153 532757616 /nfs/dbraw/zinc/75/76/16/532757616.db2.gz LOYHWTAZKZTMST-UHFFFAOYSA-N 1 2 386.246 2.433 20 5 GEBDLO CCOC(=O)C[N@H+]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301666153 532757618 /nfs/dbraw/zinc/75/76/18/532757618.db2.gz LOYHWTAZKZTMST-UHFFFAOYSA-N 1 2 386.246 2.433 20 5 GEBDLO Cc1nc(N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273548545 532826294 /nfs/dbraw/zinc/82/62/94/532826294.db2.gz YJGQXYXKWYPAEA-UHFFFAOYSA-N 1 2 379.218 2.177 20 5 GEBDLO CC(C)[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000418933124 532881748 /nfs/dbraw/zinc/88/17/48/532881748.db2.gz DHMDVTPPLARVGP-LBPRGKRZSA-N 1 2 390.225 2.371 20 5 GEBDLO CC(C)[C@@H]1CN(c2c(I)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000418933124 532881751 /nfs/dbraw/zinc/88/17/51/532881751.db2.gz DHMDVTPPLARVGP-LBPRGKRZSA-N 1 2 390.225 2.371 20 5 GEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000291517755 532903733 /nfs/dbraw/zinc/90/37/33/532903733.db2.gz UTTIKYWRRGHZEZ-IAQYHMDHSA-N 1 2 398.257 2.293 20 5 GEBDLO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NCc1ccc(Cl)s1 ZINC000369017261 532936460 /nfs/dbraw/zinc/93/64/60/532936460.db2.gz NTHYAPLJXPJGSQ-NSHDSACASA-N 1 2 383.861 2.460 20 5 GEBDLO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NCc1ccc(Cl)s1 ZINC000369017261 532936461 /nfs/dbraw/zinc/93/64/61/532936461.db2.gz NTHYAPLJXPJGSQ-NSHDSACASA-N 1 2 383.861 2.460 20 5 GEBDLO O=[N+]([O-])c1ccc2nc(NCCNc3cccc[nH+]3)cc(-c3nn[nH]n3)c2c1 ZINC000738367303 599260609 /nfs/dbraw/zinc/26/06/09/599260609.db2.gz QCSOVEBZXYNJGU-UHFFFAOYSA-N 1 2 377.368 2.242 20 5 GEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820570064 599566058 /nfs/dbraw/zinc/56/60/58/599566058.db2.gz CPWNVINFWGCNGV-ZDUSSCGKSA-N 1 2 380.412 2.053 20 5 GEBDLO O=C(C[N@H+]1CC[C@@H](CCCO)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452133346 650175591 /nfs/dbraw/zinc/17/55/91/650175591.db2.gz RXBGHFRIGSABFZ-LLVKDONJSA-N 1 2 386.246 2.390 20 5 GEBDLO O=C(C[N@@H+]1CC[C@@H](CCCO)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452133346 650175593 /nfs/dbraw/zinc/17/55/93/650175593.db2.gz RXBGHFRIGSABFZ-LLVKDONJSA-N 1 2 386.246 2.390 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000101568344 643108172 /nfs/dbraw/zinc/10/81/72/643108172.db2.gz SIZOLQNPMRZSBZ-UHFFFAOYSA-N 1 2 382.829 2.154 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000107825603 643262027 /nfs/dbraw/zinc/26/20/27/643262027.db2.gz POLXRTFQBYEMGF-JTQLQIEISA-N 1 2 391.209 2.332 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000408085054 647924248 /nfs/dbraw/zinc/92/42/48/647924248.db2.gz WFPIMZDYDOFDBA-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000408085054 647924251 /nfs/dbraw/zinc/92/42/51/647924251.db2.gz WFPIMZDYDOFDBA-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC12COC2 ZINC000425474624 648679211 /nfs/dbraw/zinc/67/92/11/648679211.db2.gz JGDSTNHYUXYZJG-ZDUSSCGKSA-N 1 2 399.241 2.369 20 5 GEBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC12COC2 ZINC000425474624 648679215 /nfs/dbraw/zinc/67/92/15/648679215.db2.gz JGDSTNHYUXYZJG-ZDUSSCGKSA-N 1 2 399.241 2.369 20 5 GEBDLO Cn1cc(Br)c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000578186864 652251220 /nfs/dbraw/zinc/25/12/20/652251220.db2.gz FCQBGNAHIOAFDJ-UHFFFAOYSA-N 1 2 382.218 2.209 20 5 GEBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755030157 652455814 /nfs/dbraw/zinc/45/58/14/652455814.db2.gz OBHLWTDBWILDJD-SNVBAGLBSA-N 1 2 387.234 2.200 20 5 GEBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755030157 652455817 /nfs/dbraw/zinc/45/58/17/652455817.db2.gz OBHLWTDBWILDJD-SNVBAGLBSA-N 1 2 387.234 2.200 20 5 GEBDLO CC1(C)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000589266216 652564414 /nfs/dbraw/zinc/56/44/14/652564414.db2.gz FBVCXKBJTDJAKA-LBPRGKRZSA-N 1 2 376.194 2.402 20 5 GEBDLO CC1(C)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000589266216 652564416 /nfs/dbraw/zinc/56/44/16/652564416.db2.gz FBVCXKBJTDJAKA-LBPRGKRZSA-N 1 2 376.194 2.402 20 5 GEBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000594744944 652679712 /nfs/dbraw/zinc/67/97/12/652679712.db2.gz OZSXFOQVDXEBRP-ZDUSSCGKSA-N 1 2 382.467 2.167 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597997134 652796431 /nfs/dbraw/zinc/79/64/31/652796431.db2.gz MBBWZDWEBDUDDK-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597997134 652796435 /nfs/dbraw/zinc/79/64/35/652796435.db2.gz MBBWZDWEBDUDDK-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cncc(Cl)c1 ZINC000598622729 652824763 /nfs/dbraw/zinc/82/47/63/652824763.db2.gz QCIMAKAROYHWIZ-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cncc(Cl)c1 ZINC000598622729 652824765 /nfs/dbraw/zinc/82/47/65/652824765.db2.gz QCIMAKAROYHWIZ-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000768560770 653117355 /nfs/dbraw/zinc/11/73/55/653117355.db2.gz DWVARDHWSJSXNO-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000768560770 653117364 /nfs/dbraw/zinc/11/73/64/653117364.db2.gz DWVARDHWSJSXNO-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000768560773 653117428 /nfs/dbraw/zinc/11/74/28/653117428.db2.gz DWVARDHWSJSXNO-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000768560773 653117432 /nfs/dbraw/zinc/11/74/32/653117432.db2.gz DWVARDHWSJSXNO-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO O=C(OCCn1cc[nH+]c1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000772039864 653137591 /nfs/dbraw/zinc/13/75/91/653137591.db2.gz ZLFMQCYJQRGYFL-UHFFFAOYSA-N 1 2 387.133 2.253 20 5 GEBDLO Cc1cccc(NCCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[nH+]1 ZINC000809822718 653302301 /nfs/dbraw/zinc/30/23/01/653302301.db2.gz SXTHFPXJBWLOJB-UHFFFAOYSA-N 1 2 388.808 2.481 20 5 GEBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845487612 653851235 /nfs/dbraw/zinc/85/12/35/653851235.db2.gz NFXNNUGYXLRXFA-UHFFFAOYSA-N 1 2 379.841 2.308 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000795432878 653952357 /nfs/dbraw/zinc/95/23/57/653952357.db2.gz CLKQGMRPNAACTN-MRXNPFEDSA-N 1 2 396.241 2.383 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000795432878 653952359 /nfs/dbraw/zinc/95/23/59/653952359.db2.gz CLKQGMRPNAACTN-MRXNPFEDSA-N 1 2 396.241 2.383 20 5 GEBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884004 653975218 /nfs/dbraw/zinc/97/52/18/653975218.db2.gz XLJAHFNULPKPQF-PELKAZGASA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884004 653975222 /nfs/dbraw/zinc/97/52/22/653975222.db2.gz XLJAHFNULPKPQF-PELKAZGASA-N 1 2 377.825 2.148 20 5 GEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000868264432 654025807 /nfs/dbraw/zinc/02/58/07/654025807.db2.gz MBKFNCJZOGSFRF-NSHDSACASA-N 1 2 379.214 2.228 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000798226349 654055382 /nfs/dbraw/zinc/05/53/82/654055382.db2.gz ILFYOSCJVNNUER-UHFFFAOYSA-N 1 2 377.825 2.104 20 5 GEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000798227575 654055806 /nfs/dbraw/zinc/05/58/06/654055806.db2.gz TWBSNVRMVUXYLI-RKDXNWHRSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000798227575 654055809 /nfs/dbraw/zinc/05/58/09/654055809.db2.gz TWBSNVRMVUXYLI-RKDXNWHRSA-N 1 2 377.825 2.291 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934331998 654845027 /nfs/dbraw/zinc/84/50/27/654845027.db2.gz IANQJIBKKHVBCG-CYBMUJFWSA-N 1 2 381.479 2.390 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934331998 654845031 /nfs/dbraw/zinc/84/50/31/654845031.db2.gz IANQJIBKKHVBCG-CYBMUJFWSA-N 1 2 381.479 2.390 20 5 GEBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164945678 721971464 /nfs/dbraw/zinc/97/14/64/721971464.db2.gz QDDHHQBODSHOOL-UHFFFAOYSA-N 1 2 399.426 2.100 20 5 GEBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001164945678 721971467 /nfs/dbraw/zinc/97/14/67/721971467.db2.gz QDDHHQBODSHOOL-UHFFFAOYSA-N 1 2 399.426 2.100 20 5 GEBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000151562574 531510914 /nfs/dbraw/zinc/51/09/14/531510914.db2.gz LGKMUINLPMTQDN-UHFFFAOYSA-N 1 2 381.230 2.427 20 5 GEBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000151562574 531510926 /nfs/dbraw/zinc/51/09/26/531510926.db2.gz LGKMUINLPMTQDN-UHFFFAOYSA-N 1 2 381.230 2.427 20 5 GEBDLO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120744957 531991793 /nfs/dbraw/zinc/99/17/93/531991793.db2.gz QLGMUFHGATYZSV-WDEREUQCSA-N 1 2 386.246 2.389 20 5 GEBDLO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120744957 531991806 /nfs/dbraw/zinc/99/18/06/531991806.db2.gz QLGMUFHGATYZSV-WDEREUQCSA-N 1 2 386.246 2.389 20 5 GEBDLO CCOCC[NH+]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000121201916 532018730 /nfs/dbraw/zinc/01/87/30/532018730.db2.gz VUGXNCZYAFWCGO-UHFFFAOYSA-N 1 2 386.246 2.152 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151137366 532307036 /nfs/dbraw/zinc/30/70/36/532307036.db2.gz DNAZJXHCMGMLFQ-ZDUSSCGKSA-N 1 2 383.813 2.485 20 5 GEBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431033068 532505092 /nfs/dbraw/zinc/50/50/92/532505092.db2.gz GGYPPHRIJORPQN-UHFFFAOYSA-N 1 2 394.229 2.038 20 5 GEBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000594762854 532523662 /nfs/dbraw/zinc/52/36/62/532523662.db2.gz YWTIPORMVPCQHO-CQSZACIVSA-N 1 2 384.845 2.224 20 5 GEBDLO COCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000433190262 532556374 /nfs/dbraw/zinc/55/63/74/532556374.db2.gz UJYIBTGQEDGTOS-OAHLLOKOSA-N 1 2 388.511 2.213 20 5 GEBDLO COCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000433190262 532556381 /nfs/dbraw/zinc/55/63/81/532556381.db2.gz UJYIBTGQEDGTOS-OAHLLOKOSA-N 1 2 388.511 2.213 20 5 GEBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597706422 532624284 /nfs/dbraw/zinc/62/42/84/532624284.db2.gz FTTPAONCQOCZGV-ZDUSSCGKSA-N 1 2 398.257 2.294 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598001328 532636247 /nfs/dbraw/zinc/63/62/47/532636247.db2.gz ZECJEVQHYWNRSI-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000598001328 532636253 /nfs/dbraw/zinc/63/62/53/532636253.db2.gz ZECJEVQHYWNRSI-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000378094276 532680781 /nfs/dbraw/zinc/68/07/81/532680781.db2.gz PZTWFBBQBGJIGY-UHFFFAOYSA-N 1 2 398.160 2.052 20 5 GEBDLO C[N@@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)C(=O)C1 ZINC000378604287 532698815 /nfs/dbraw/zinc/69/88/15/532698815.db2.gz GGUZGXIZZSYIQK-UHFFFAOYSA-N 1 2 397.273 2.100 20 5 GEBDLO C[N@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)C(=O)C1 ZINC000378604287 532698820 /nfs/dbraw/zinc/69/88/20/532698820.db2.gz GGUZGXIZZSYIQK-UHFFFAOYSA-N 1 2 397.273 2.100 20 5 GEBDLO CCc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(OC)c2)c1[N+](=O)[O-] ZINC000359933748 206270929 /nfs/dbraw/zinc/27/09/29/206270929.db2.gz GMWRFJUYTVNVHI-AWEZNQCLSA-N 1 2 384.396 2.142 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)c(C(F)(F)F)c1 ZINC000332640458 532858804 /nfs/dbraw/zinc/85/88/04/532858804.db2.gz QWBXBIYXDDRUCQ-UHFFFAOYSA-N 1 2 376.316 2.015 20 5 GEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457576 532877878 /nfs/dbraw/zinc/87/78/78/532877878.db2.gz XSHKEFKQIWCRCY-UWVGGRQHSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457576 532877879 /nfs/dbraw/zinc/87/78/79/532877879.db2.gz XSHKEFKQIWCRCY-UWVGGRQHSA-N 1 2 381.376 2.327 20 5 GEBDLO CN(CCCn1cc[nH+]c1)c1c(I)cncc1[N+](=O)[O-] ZINC000418911523 532881620 /nfs/dbraw/zinc/88/16/20/532881620.db2.gz VUFUVDYASJEKLN-UHFFFAOYSA-N 1 2 387.181 2.317 20 5 GEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290725637 532887822 /nfs/dbraw/zinc/88/78/22/532887822.db2.gz XYZMXZQLSMHIOV-VXGBXAGGSA-N 1 2 398.257 2.293 20 5 GEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000291056420 532896038 /nfs/dbraw/zinc/89/60/38/532896038.db2.gz XQHIASLWRJTGEH-IAQYHMDHSA-N 1 2 398.257 2.293 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C2 ZINC000368022490 532929629 /nfs/dbraw/zinc/92/96/29/532929629.db2.gz QAQJWXIEJDBGMW-NSHDSACASA-N 1 2 384.845 2.355 20 5 GEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000820570062 599566085 /nfs/dbraw/zinc/56/60/85/599566085.db2.gz CPWNVINFWGCNGV-CYBMUJFWSA-N 1 2 380.412 2.053 20 5 GEBDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000825957836 608525701 /nfs/dbraw/zinc/52/57/01/608525701.db2.gz HXAFASWJXMAOKN-UHFFFAOYSA-N 1 2 382.380 2.178 20 5 GEBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000825957836 608525703 /nfs/dbraw/zinc/52/57/03/608525703.db2.gz HXAFASWJXMAOKN-UHFFFAOYSA-N 1 2 382.380 2.178 20 5 GEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)cc1 ZINC000826498943 608645958 /nfs/dbraw/zinc/64/59/58/608645958.db2.gz PKJFGFGMWHMKOX-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000131250001 643868421 /nfs/dbraw/zinc/86/84/21/643868421.db2.gz QCKCPFLGCZKANX-RYUDHWBXSA-N 1 2 391.877 2.026 20 5 GEBDLO Cc1nc(N2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)cc[nH+]1 ZINC000546761241 651008889 /nfs/dbraw/zinc/00/88/89/651008889.db2.gz ZVZUJXCXCWAGMB-UHFFFAOYSA-N 1 2 393.245 2.486 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCCCn2cc[nH+]c2)c(Cl)cc1Cl ZINC000289286962 646928576 /nfs/dbraw/zinc/92/85/76/646928576.db2.gz GHPHFMLDEWLSAK-UHFFFAOYSA-N 1 2 379.225 2.467 20 5 GEBDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000363183103 647587170 /nfs/dbraw/zinc/58/71/70/647587170.db2.gz NQSGKEWJWZYTOP-UHFFFAOYSA-N 1 2 382.467 2.341 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000603857604 651500303 /nfs/dbraw/zinc/50/03/03/651500303.db2.gz ZRXLNGGLNHLQRY-NSHDSACASA-N 1 2 395.257 2.460 20 5 GEBDLO CCn1cnnc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000563481987 651526438 /nfs/dbraw/zinc/52/64/38/651526438.db2.gz FPHMAKSXYBGYGR-UHFFFAOYSA-N 1 2 387.181 2.101 20 5 GEBDLO CCNC(=O)C[N@H+](CC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569053745 651696322 /nfs/dbraw/zinc/69/63/22/651696322.db2.gz GBGYOUZKWULOOS-UHFFFAOYSA-N 1 2 391.209 2.157 20 5 GEBDLO CCNC(=O)C[N@@H+](CC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569053745 651696324 /nfs/dbraw/zinc/69/63/24/651696324.db2.gz GBGYOUZKWULOOS-UHFFFAOYSA-N 1 2 391.209 2.157 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000571881312 651859243 /nfs/dbraw/zinc/85/92/43/651859243.db2.gz PETGKUVRKIVVOQ-VIFPVBQESA-N 1 2 390.195 2.129 20 5 GEBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000599977057 652895197 /nfs/dbraw/zinc/89/51/97/652895197.db2.gz GTYICDOPYGZZQH-GFCCVEGCSA-N 1 2 398.257 2.294 20 5 GEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000768931255 653138457 /nfs/dbraw/zinc/13/84/57/653138457.db2.gz RJTHIGZEFZZXAQ-NSHDSACASA-N 1 2 383.246 2.347 20 5 GEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000768931255 653138463 /nfs/dbraw/zinc/13/84/63/653138463.db2.gz RJTHIGZEFZZXAQ-NSHDSACASA-N 1 2 383.246 2.347 20 5 GEBDLO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000770330905 653210012 /nfs/dbraw/zinc/21/00/12/653210012.db2.gz CTBXACHYRWKYRR-AWEZNQCLSA-N 1 2 387.230 2.103 20 5 GEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770721944 653222552 /nfs/dbraw/zinc/22/25/52/653222552.db2.gz CVPBEJKLCMGRCW-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770721944 653222560 /nfs/dbraw/zinc/22/25/60/653222560.db2.gz CVPBEJKLCMGRCW-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCn2c[nH+]cc2C1 ZINC000881864102 653744488 /nfs/dbraw/zinc/74/44/88/653744488.db2.gz KOCSTCKBCZDETK-SNVBAGLBSA-N 1 2 379.214 2.433 20 5 GEBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000822140560 653819257 /nfs/dbraw/zinc/81/92/57/653819257.db2.gz WGPGSLRPSPCDBQ-LBPRGKRZSA-N 1 2 399.245 2.296 20 5 GEBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC12COC2 ZINC000824489540 653897201 /nfs/dbraw/zinc/89/72/01/653897201.db2.gz MDEZDQXBYPYIIP-LBPRGKRZSA-N 1 2 399.241 2.369 20 5 GEBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC12COC2 ZINC000824489540 653897203 /nfs/dbraw/zinc/89/72/03/653897203.db2.gz MDEZDQXBYPYIIP-LBPRGKRZSA-N 1 2 399.241 2.369 20 5 GEBDLO COC(=O)[C@]12C[N@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C[C@H]1CCCC2 ZINC000848491175 653981045 /nfs/dbraw/zinc/98/10/45/653981045.db2.gz PDXGJBFQCQMSTE-QMTHXVAHSA-N 1 2 387.234 2.177 20 5 GEBDLO COC(=O)[C@]12C[N@@H+](Cn3cc(Br)c([N+](=O)[O-])n3)C[C@H]1CCCC2 ZINC000848491175 653981047 /nfs/dbraw/zinc/98/10/47/653981047.db2.gz PDXGJBFQCQMSTE-QMTHXVAHSA-N 1 2 387.234 2.177 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921323590 654248225 /nfs/dbraw/zinc/24/82/25/654248225.db2.gz KVEOZERTKBDIJS-AAEUAGOBSA-N 1 2 391.902 2.106 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921323590 654248232 /nfs/dbraw/zinc/24/82/32/654248232.db2.gz KVEOZERTKBDIJS-AAEUAGOBSA-N 1 2 391.902 2.106 20 5 GEBDLO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000922635259 654404921 /nfs/dbraw/zinc/40/49/21/654404921.db2.gz RTULZLUWGLMTJF-QMMMGPOBSA-N 1 2 387.181 2.179 20 5 GEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001164919565 721821208 /nfs/dbraw/zinc/82/12/08/721821208.db2.gz SWANRSJIAXWFOC-UHFFFAOYSA-N 1 2 393.451 2.484 20 5 GEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000152090895 531530627 /nfs/dbraw/zinc/53/06/27/531530627.db2.gz TZXRWSCCYIUAMD-UHFFFAOYSA-N 1 2 381.479 2.134 20 5 GEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000152090895 531530635 /nfs/dbraw/zinc/53/06/35/531530635.db2.gz TZXRWSCCYIUAMD-UHFFFAOYSA-N 1 2 381.479 2.134 20 5 GEBDLO CS(=O)(=O)c1ccc(NCC2CC[NH+](CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000590567507 532377627 /nfs/dbraw/zinc/37/76/27/532377627.db2.gz LAQLGUSCODQYKF-UHFFFAOYSA-N 1 2 377.413 2.387 20 5 GEBDLO C[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000558460154 532391644 /nfs/dbraw/zinc/39/16/44/532391644.db2.gz NBIGIPTXGNAOCK-TVQRCGJNSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000558460154 532391651 /nfs/dbraw/zinc/39/16/51/532391651.db2.gz NBIGIPTXGNAOCK-TVQRCGJNSA-N 1 2 376.194 2.402 20 5 GEBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000372775237 532408514 /nfs/dbraw/zinc/40/85/14/532408514.db2.gz FUELANZMUBEDML-AWEZNQCLSA-N 1 2 385.511 2.023 20 5 GEBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000295277391 532429402 /nfs/dbraw/zinc/42/94/02/532429402.db2.gz FKGLLNCMZBDBDO-UHFFFAOYSA-N 1 2 389.231 2.052 20 5 GEBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000295433382 532445762 /nfs/dbraw/zinc/44/57/62/532445762.db2.gz JLGWEQALDIXIMC-UHFFFAOYSA-N 1 2 389.231 2.052 20 5 GEBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596900190 532607498 /nfs/dbraw/zinc/60/74/98/532607498.db2.gz JHLCSAHYNXYTPU-CYBMUJFWSA-N 1 2 399.245 2.296 20 5 GEBDLO O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000536551969 532693664 /nfs/dbraw/zinc/69/36/64/532693664.db2.gz FCTSABCXXRXKFS-UHFFFAOYSA-N 1 2 398.160 2.093 20 5 GEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285687634 532697378 /nfs/dbraw/zinc/69/73/78/532697378.db2.gz GTGJFUJGCDZJDK-XHDPSFHLSA-N 1 2 398.257 2.293 20 5 GEBDLO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301351163 532749818 /nfs/dbraw/zinc/74/98/18/532749818.db2.gz JBVSSGDZQBKFNR-AWEZNQCLSA-N 1 2 377.413 2.368 20 5 GEBDLO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301351163 532749823 /nfs/dbraw/zinc/74/98/23/532749823.db2.gz JBVSSGDZQBKFNR-AWEZNQCLSA-N 1 2 377.413 2.368 20 5 GEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCN(c3cccc[nH+]3)CC2)s1 ZINC000302211828 532768231 /nfs/dbraw/zinc/76/82/31/532768231.db2.gz HBATZMUDRROPOD-UHFFFAOYSA-N 1 2 382.467 2.172 20 5 GEBDLO O=[N+]([O-])c1cc(Br)cnc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302738694 532773413 /nfs/dbraw/zinc/77/34/13/532773413.db2.gz BWLSXVNGCPAMOC-LBPRGKRZSA-N 1 2 382.218 2.425 20 5 GEBDLO O=[N+]([O-])c1cnc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000302782098 532773876 /nfs/dbraw/zinc/77/38/76/532773876.db2.gz SFRLPLGUSMZKOT-LBPRGKRZSA-N 1 2 382.218 2.425 20 5 GEBDLO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420946302 532887938 /nfs/dbraw/zinc/88/79/38/532887938.db2.gz SGDBWLRUXDLGLK-QWRGUYRKSA-N 1 2 386.246 2.246 20 5 GEBDLO C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420946302 532887940 /nfs/dbraw/zinc/88/79/40/532887940.db2.gz SGDBWLRUXDLGLK-QWRGUYRKSA-N 1 2 386.246 2.246 20 5 GEBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NCc1ccc(Cl)s1 ZINC000369017258 532936365 /nfs/dbraw/zinc/93/63/65/532936365.db2.gz NTHYAPLJXPJGSQ-LLVKDONJSA-N 1 2 383.861 2.460 20 5 GEBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NCc1ccc(Cl)s1 ZINC000369017258 532936367 /nfs/dbraw/zinc/93/63/67/532936367.db2.gz NTHYAPLJXPJGSQ-LLVKDONJSA-N 1 2 383.861 2.460 20 5 GEBDLO O=[N+]([O-])c1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1-c1nn[nH]n1 ZINC000826498376 607567851 /nfs/dbraw/zinc/56/78/51/607567851.db2.gz SBBKSYHDGOQLFN-UHFFFAOYSA-N 1 2 395.423 2.219 20 5 GEBDLO Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565036130 604558910 /nfs/dbraw/zinc/55/89/10/604558910.db2.gz RCLGDELXUYLAIX-FKEKPDDDSA-N 1 2 388.468 2.349 20 5 GEBDLO Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565036130 604558917 /nfs/dbraw/zinc/55/89/17/604558917.db2.gz RCLGDELXUYLAIX-FKEKPDDDSA-N 1 2 388.468 2.349 20 5 GEBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1nccc(-c3nn[nH]n3)c1[N+](=O)[O-])C2 ZINC000819957779 606703948 /nfs/dbraw/zinc/70/39/48/606703948.db2.gz DMNJHECVWICUAE-JTQLQIEISA-N 1 2 383.416 2.091 20 5 GEBDLO C[C@H](c1cccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000820561888 606708195 /nfs/dbraw/zinc/70/81/95/606708195.db2.gz BIWDGGAEDMPXQS-GFCCVEGCSA-N 1 2 396.411 2.307 20 5 GEBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455397709 650302856 /nfs/dbraw/zinc/30/28/56/650302856.db2.gz GOWAELXKGNZBRR-AWEZNQCLSA-N 1 2 399.245 2.342 20 5 GEBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455397709 650302860 /nfs/dbraw/zinc/30/28/60/650302860.db2.gz GOWAELXKGNZBRR-AWEZNQCLSA-N 1 2 399.245 2.342 20 5 GEBDLO CSc1nnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000525851329 650659657 /nfs/dbraw/zinc/65/96/57/650659657.db2.gz LGPVIUQAYQFSFE-UHFFFAOYSA-N 1 2 376.423 2.284 20 5 GEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000033872464 642505190 /nfs/dbraw/zinc/50/51/90/642505190.db2.gz FNSFSZWYPRLGDL-UHFFFAOYSA-N 1 2 381.479 2.205 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000066000390 642894063 /nfs/dbraw/zinc/89/40/63/642894063.db2.gz IXZNMMSFXDXSPB-UHFFFAOYSA-N 1 2 391.540 2.296 20 5 GEBDLO CC(C)(CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000120046753 643588220 /nfs/dbraw/zinc/58/82/20/643588220.db2.gz SVJRIQYKUWMZMV-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCSC(C)C)CC1 ZINC000330451396 647337425 /nfs/dbraw/zinc/33/74/25/647337425.db2.gz YRWYPQLOXMZUOW-UHFFFAOYSA-N 1 2 387.527 2.351 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000408084120 647923514 /nfs/dbraw/zinc/92/35/14/647923514.db2.gz MVFXBEYLGXFVTE-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000408084120 647923518 /nfs/dbraw/zinc/92/35/18/647923518.db2.gz MVFXBEYLGXFVTE-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c(C(F)(F)F)c1 ZINC000569027997 651695117 /nfs/dbraw/zinc/69/51/17/651695117.db2.gz YPXWRWSAZFUILF-UHFFFAOYSA-N 1 2 376.316 2.056 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000611083720 651705725 /nfs/dbraw/zinc/70/57/25/651705725.db2.gz YRYOTVNCDKVPCX-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000611083720 651705730 /nfs/dbraw/zinc/70/57/30/651705730.db2.gz YRYOTVNCDKVPCX-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589251429 652563620 /nfs/dbraw/zinc/56/36/20/652563620.db2.gz HVUNLYIPCLCUID-UHFFFAOYSA-N 1 2 391.209 2.110 20 5 GEBDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589251429 652563623 /nfs/dbraw/zinc/56/36/23/652563623.db2.gz HVUNLYIPCLCUID-UHFFFAOYSA-N 1 2 391.209 2.110 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(Br)cc2)c1 ZINC000595844707 652738049 /nfs/dbraw/zinc/73/80/49/652738049.db2.gz KGRKNAQNCZFFBD-GJZGRUSLSA-N 1 2 381.230 2.362 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(Br)cc2)c1 ZINC000595844707 652738051 /nfs/dbraw/zinc/73/80/51/652738051.db2.gz KGRKNAQNCZFFBD-GJZGRUSLSA-N 1 2 381.230 2.362 20 5 GEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809830668 653305550 /nfs/dbraw/zinc/30/55/50/653305550.db2.gz YWZZLKMRMUJZAY-ZJUUUORDSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809830668 653305556 /nfs/dbraw/zinc/30/55/56/653305556.db2.gz YWZZLKMRMUJZAY-ZJUUUORDSA-N 1 2 379.841 2.491 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)[C@H](C)CO1 ZINC000857309283 653308592 /nfs/dbraw/zinc/30/85/92/653308592.db2.gz YZPLKVLWMBMABD-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)[C@H](C)CO1 ZINC000857309283 653308599 /nfs/dbraw/zinc/30/85/99/653308599.db2.gz YZPLKVLWMBMABD-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO C[S@](=O)CC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809963736 653315206 /nfs/dbraw/zinc/31/52/06/653315206.db2.gz ZMLCIQYZEHXHJO-QHCPKHFHSA-N 1 2 380.297 2.398 20 5 GEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874710779 653334052 /nfs/dbraw/zinc/33/40/52/653334052.db2.gz SBCMUMZHMHLZIZ-NSHDSACASA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874710779 653334054 /nfs/dbraw/zinc/33/40/54/653334054.db2.gz SBCMUMZHMHLZIZ-NSHDSACASA-N 1 2 386.246 2.198 20 5 GEBDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000876762188 653446413 /nfs/dbraw/zinc/44/64/13/653446413.db2.gz BRVGNVZORIKVFQ-RUZDIDTESA-N 1 2 379.404 2.110 20 5 GEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](C[C@@H]1CCc3ncnn31)CC2 ZINC000878570613 653641306 /nfs/dbraw/zinc/64/13/06/653641306.db2.gz BHFJJGMJIOGXTM-JTQLQIEISA-N 1 2 378.230 2.494 20 5 GEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](C[C@@H]1CCc3ncnn31)CC2 ZINC000878570613 653641309 /nfs/dbraw/zinc/64/13/09/653641309.db2.gz BHFJJGMJIOGXTM-JTQLQIEISA-N 1 2 378.230 2.494 20 5 GEBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025774 653645373 /nfs/dbraw/zinc/64/53/73/653645373.db2.gz KJNCVUCDPPVVOI-PELKAZGASA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025774 653645376 /nfs/dbraw/zinc/64/53/76/653645376.db2.gz KJNCVUCDPPVVOI-PELKAZGASA-N 1 2 377.825 2.148 20 5 GEBDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000815070967 653649711 /nfs/dbraw/zinc/64/97/11/653649711.db2.gz BKVGRTXJHNLFPC-RUZDIDTESA-N 1 2 379.404 2.110 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000815082810 653650661 /nfs/dbraw/zinc/65/06/61/653650661.db2.gz GNVHCGPOJBXTAQ-AOOOYVTPSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000815082810 653650663 /nfs/dbraw/zinc/65/06/63/653650663.db2.gz GNVHCGPOJBXTAQ-AOOOYVTPSA-N 1 2 392.275 2.070 20 5 GEBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CC12COC2 ZINC000824488965 653897180 /nfs/dbraw/zinc/89/71/80/653897180.db2.gz DILKBLABVKTUDG-LBPRGKRZSA-N 1 2 399.241 2.369 20 5 GEBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CC12COC2 ZINC000824488965 653897183 /nfs/dbraw/zinc/89/71/83/653897183.db2.gz DILKBLABVKTUDG-LBPRGKRZSA-N 1 2 399.241 2.369 20 5 GEBDLO C[C@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@@H+]1CCO ZINC000897454964 653922503 /nfs/dbraw/zinc/92/25/03/653922503.db2.gz JTNBCWFNJBXBRF-QMMMGPOBSA-N 1 2 380.203 2.179 20 5 GEBDLO C[C@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC[N@H+]1CCO ZINC000897454964 653922505 /nfs/dbraw/zinc/92/25/05/653922505.db2.gz JTNBCWFNJBXBRF-QMMMGPOBSA-N 1 2 380.203 2.179 20 5 GEBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000825709330 653938220 /nfs/dbraw/zinc/93/82/20/653938220.db2.gz TVEDXRQVOUMXIE-VIFPVBQESA-N 1 2 380.202 2.495 20 5 GEBDLO COC[C@@H]1CCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795441145 653953014 /nfs/dbraw/zinc/95/30/14/653953014.db2.gz VZTXGLJYHPGRHH-NSHDSACASA-N 1 2 384.230 2.381 20 5 GEBDLO COC[C@@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795441145 653953017 /nfs/dbraw/zinc/95/30/17/653953017.db2.gz VZTXGLJYHPGRHH-NSHDSACASA-N 1 2 384.230 2.381 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H](C)C1 ZINC000796074884 653984680 /nfs/dbraw/zinc/98/46/80/653984680.db2.gz VPGMGFROBUHPOM-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H](C)C1 ZINC000796074884 653984684 /nfs/dbraw/zinc/98/46/84/653984684.db2.gz VPGMGFROBUHPOM-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO C/C(=C/C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000919103503 654170493 /nfs/dbraw/zinc/17/04/93/654170493.db2.gz IQBKKEYNUXJWFZ-WQLSENKSSA-N 1 2 398.257 2.252 20 5 GEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832414027 654265153 /nfs/dbraw/zinc/26/51/53/654265153.db2.gz BWDCTQLDUBOFIV-SNVBAGLBSA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832414027 654265158 /nfs/dbraw/zinc/26/51/58/654265158.db2.gz BWDCTQLDUBOFIV-SNVBAGLBSA-N 1 2 379.841 2.492 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1Cl ZINC000922019163 654355606 /nfs/dbraw/zinc/35/56/06/654355606.db2.gz FXDBLBKJVRJMJK-UHFFFAOYSA-N 1 2 399.252 2.333 20 5 GEBDLO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000922635258 654404966 /nfs/dbraw/zinc/40/49/66/654404966.db2.gz RTULZLUWGLMTJF-MRVPVSSYSA-N 1 2 387.181 2.179 20 5 GEBDLO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000930745992 654718541 /nfs/dbraw/zinc/71/85/41/654718541.db2.gz RUMFDKUQKJMXPW-UHFFFAOYSA-N 1 2 380.246 2.398 20 5 GEBDLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000912897119 654773911 /nfs/dbraw/zinc/77/39/11/654773911.db2.gz KOBPHPRGPPYMGL-UHFFFAOYSA-N 1 2 390.223 2.080 20 5 GEBDLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000912897119 654773913 /nfs/dbraw/zinc/77/39/13/654773913.db2.gz KOBPHPRGPPYMGL-UHFFFAOYSA-N 1 2 390.223 2.080 20 5 GEBDLO Nc1nc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)ncc1[N+](=O)[O-] ZINC000152459822 531551215 /nfs/dbraw/zinc/55/12/15/531551215.db2.gz SDALUOYFOQLOAF-UHFFFAOYSA-N 1 2 393.245 2.052 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026840267 531618584 /nfs/dbraw/zinc/61/85/84/531618584.db2.gz IAPBVRYTRCZCOG-UTUOFQBUSA-N 1 2 391.877 2.024 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026840267 531618589 /nfs/dbraw/zinc/61/85/89/531618589.db2.gz IAPBVRYTRCZCOG-UTUOFQBUSA-N 1 2 391.877 2.024 20 5 GEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092188536 531925331 /nfs/dbraw/zinc/92/53/31/531925331.db2.gz YYMSVRZEXCPTIX-LBPRGKRZSA-N 1 2 383.246 2.347 20 5 GEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000092188536 531925340 /nfs/dbraw/zinc/92/53/40/531925340.db2.gz YYMSVRZEXCPTIX-LBPRGKRZSA-N 1 2 383.246 2.347 20 5 GEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000121436156 532029037 /nfs/dbraw/zinc/02/90/37/532029037.db2.gz NOOINTWJLMYWCZ-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000123754982 532105826 /nfs/dbraw/zinc/10/58/26/532105826.db2.gz AUEKWLQEJIUQCM-UHFFFAOYSA-N 1 2 385.442 2.132 20 5 GEBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000123754982 532105829 /nfs/dbraw/zinc/10/58/29/532105829.db2.gz AUEKWLQEJIUQCM-UHFFFAOYSA-N 1 2 385.442 2.132 20 5 GEBDLO CS(=O)(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000179784368 532243727 /nfs/dbraw/zinc/24/37/27/532243727.db2.gz FYAQVAQVOKBZHE-UHFFFAOYSA-N 1 2 381.479 2.401 20 5 GEBDLO O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCc2[nH]c[nH+]c2C1 ZINC000590378088 532367542 /nfs/dbraw/zinc/36/75/42/532367542.db2.gz DHRRJQNLPCNTKI-UHFFFAOYSA-N 1 2 398.160 2.121 20 5 GEBDLO O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590378088 532367550 /nfs/dbraw/zinc/36/75/50/532367550.db2.gz DHRRJQNLPCNTKI-UHFFFAOYSA-N 1 2 398.160 2.121 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1I)N1CCc2[nH]c[nH+]c2C1 ZINC000590379165 532368378 /nfs/dbraw/zinc/36/83/78/532368378.db2.gz MBFMIYKNWZXIIJ-UHFFFAOYSA-N 1 2 398.160 2.121 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1I)N1CCc2[nH+]c[nH]c2C1 ZINC000590379165 532368384 /nfs/dbraw/zinc/36/83/84/532368384.db2.gz MBFMIYKNWZXIIJ-UHFFFAOYSA-N 1 2 398.160 2.121 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428000130 532438771 /nfs/dbraw/zinc/43/87/71/532438771.db2.gz ICWXMPKYFSBWAH-NSHDSACASA-N 1 2 379.214 2.228 20 5 GEBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295593267 532461984 /nfs/dbraw/zinc/46/19/84/532461984.db2.gz WTCDDCKFIIHOJA-UHFFFAOYSA-N 1 2 389.231 2.052 20 5 GEBDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000296083705 532500219 /nfs/dbraw/zinc/50/02/19/532500219.db2.gz HBJVLEADXRROQH-HNNXBMFYSA-N 1 2 399.245 2.228 20 5 GEBDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000296083705 532500224 /nfs/dbraw/zinc/50/02/24/532500224.db2.gz HBJVLEADXRROQH-HNNXBMFYSA-N 1 2 399.245 2.228 20 5 GEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000374954997 532524704 /nfs/dbraw/zinc/52/47/04/532524704.db2.gz XEYLDRWFZWSBIO-CYBMUJFWSA-N 1 2 385.873 2.273 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCn3c[nH+]cc3C2)c1Cl ZINC000296889015 532551912 /nfs/dbraw/zinc/55/19/12/532551912.db2.gz DESLZYNTQPGFLR-UHFFFAOYSA-N 1 2 377.209 2.303 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284272228 532582590 /nfs/dbraw/zinc/58/25/90/532582590.db2.gz YGSUZESZUAUANM-HUUCEWRRSA-N 1 2 398.257 2.211 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284272228 532582594 /nfs/dbraw/zinc/58/25/94/532582594.db2.gz YGSUZESZUAUANM-HUUCEWRRSA-N 1 2 398.257 2.211 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000284131038 532577232 /nfs/dbraw/zinc/57/72/32/532577232.db2.gz USUBLUWZZOKMEV-JTQLQIEISA-N 1 2 386.246 2.116 20 5 GEBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597706421 532625042 /nfs/dbraw/zinc/62/50/42/532625042.db2.gz FTTPAONCQOCZGV-CYBMUJFWSA-N 1 2 398.257 2.294 20 5 GEBDLO Cc1c(Br)c(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000436449822 532633443 /nfs/dbraw/zinc/63/34/43/532633443.db2.gz PHOQXHWITBEDLV-JTQLQIEISA-N 1 2 387.278 2.342 20 5 GEBDLO Cc1c(Br)c(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000436449822 532633446 /nfs/dbraw/zinc/63/34/46/532633446.db2.gz PHOQXHWITBEDLV-JTQLQIEISA-N 1 2 387.278 2.342 20 5 GEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000534287539 532671077 /nfs/dbraw/zinc/67/10/77/532671077.db2.gz OLOKULVMMNYHEV-UHFFFAOYSA-N 1 2 386.149 2.161 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492194320 532712939 /nfs/dbraw/zinc/71/29/39/532712939.db2.gz QWGLQAQUNLSBQS-VIFPVBQESA-N 1 2 391.236 2.391 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1C ZINC000330631206 532823370 /nfs/dbraw/zinc/82/33/70/532823370.db2.gz FJJIDPGUNKDRNZ-ZJUUUORDSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000330631206 532823371 /nfs/dbraw/zinc/82/33/71/532823371.db2.gz FJJIDPGUNKDRNZ-ZJUUUORDSA-N 1 2 381.376 2.327 20 5 GEBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000273739417 532833255 /nfs/dbraw/zinc/83/32/55/532833255.db2.gz LNCYOOUAWZODRS-GFCCVEGCSA-N 1 2 383.246 2.393 20 5 GEBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000273739417 532833259 /nfs/dbraw/zinc/83/32/59/532833259.db2.gz LNCYOOUAWZODRS-GFCCVEGCSA-N 1 2 383.246 2.393 20 5 GEBDLO CC(C)NC(=O)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290122825 532872869 /nfs/dbraw/zinc/87/28/69/532872869.db2.gz YWKSPDNKKRCIMA-UHFFFAOYSA-N 1 2 391.209 2.156 20 5 GEBDLO CC(C)NC(=O)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290122825 532872870 /nfs/dbraw/zinc/87/28/70/532872870.db2.gz YWKSPDNKKRCIMA-UHFFFAOYSA-N 1 2 391.209 2.156 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457575 532878230 /nfs/dbraw/zinc/87/82/30/532878230.db2.gz XSHKEFKQIWCRCY-NXEZZACHSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457575 532878231 /nfs/dbraw/zinc/87/82/31/532878231.db2.gz XSHKEFKQIWCRCY-NXEZZACHSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420946303 532887852 /nfs/dbraw/zinc/88/78/52/532887852.db2.gz SGDBWLRUXDLGLK-WDEREUQCSA-N 1 2 386.246 2.246 20 5 GEBDLO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420946303 532887856 /nfs/dbraw/zinc/88/78/56/532887856.db2.gz SGDBWLRUXDLGLK-WDEREUQCSA-N 1 2 386.246 2.246 20 5 GEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)ccc1Br ZINC000293113245 532922167 /nfs/dbraw/zinc/92/21/67/532922167.db2.gz YRCYHTZNPLZFEJ-CYBMUJFWSA-N 1 2 396.245 2.278 20 5 GEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)ccc1Br ZINC000293113245 532922169 /nfs/dbraw/zinc/92/21/69/532922169.db2.gz YRCYHTZNPLZFEJ-CYBMUJFWSA-N 1 2 396.245 2.278 20 5 GEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000371321237 532947555 /nfs/dbraw/zinc/94/75/55/532947555.db2.gz AFEZNSJNKRTNJC-NSHDSACASA-N 1 2 384.845 2.468 20 5 GEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(F)c1 ZINC000823635249 606161049 /nfs/dbraw/zinc/16/10/49/606161049.db2.gz UJJSXASZPLCAPK-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO O=C(Nc1ccc(F)cc1-c1nn[nH]n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000823347561 606262601 /nfs/dbraw/zinc/26/26/01/606262601.db2.gz ZQIXMODJXXJSDY-UHFFFAOYSA-N 1 2 394.326 2.352 20 5 GEBDLO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826500073 608509665 /nfs/dbraw/zinc/50/96/65/608509665.db2.gz KAYSCIYZZOVJNK-XQRVVYSFSA-N 1 2 392.423 2.005 20 5 GEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826500712 608645499 /nfs/dbraw/zinc/64/54/99/608645499.db2.gz JJUCRQANUWKODG-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000507969925 650471059 /nfs/dbraw/zinc/47/10/59/650471059.db2.gz MZDYUMDXYBKJTJ-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000507969925 650471061 /nfs/dbraw/zinc/47/10/61/650471061.db2.gz MZDYUMDXYBKJTJ-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO CN(C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000511121657 650526962 /nfs/dbraw/zinc/52/69/62/650526962.db2.gz LPKKERCCXVLHMC-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000511121657 650526966 /nfs/dbraw/zinc/52/69/66/650526966.db2.gz LPKKERCCXVLHMC-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000512523804 650550281 /nfs/dbraw/zinc/55/02/81/650550281.db2.gz NJLPIQILZSOUAD-GFCCVEGCSA-N 1 2 385.467 2.246 20 5 GEBDLO C[C@@H]1C[N@H+](CCNc2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000522275535 650624583 /nfs/dbraw/zinc/62/45/83/650624583.db2.gz JMPILESEXNJBFQ-SNVBAGLBSA-N 1 2 391.209 2.332 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNc2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000522275535 650624586 /nfs/dbraw/zinc/62/45/86/650624586.db2.gz JMPILESEXNJBFQ-SNVBAGLBSA-N 1 2 391.209 2.332 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000159345407 644188432 /nfs/dbraw/zinc/18/84/32/644188432.db2.gz UZRPFHQYTCQOOK-NSHDSACASA-N 1 2 382.829 2.200 20 5 GEBDLO Cc1c(Br)c(N2CC[NH+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000543436287 650911985 /nfs/dbraw/zinc/91/19/85/650911985.db2.gz HEADVGCDQUTDHF-UHFFFAOYSA-N 1 2 385.262 2.362 20 5 GEBDLO O=[N+]([O-])c1cnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(Br)c1 ZINC000267256556 645893175 /nfs/dbraw/zinc/89/31/75/645893175.db2.gz PGLAWTHNVKYCLX-UHFFFAOYSA-N 1 2 397.233 2.025 20 5 GEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1C ZINC000372616434 647810019 /nfs/dbraw/zinc/81/00/19/647810019.db2.gz FXINPBCJHVHVQI-AWEZNQCLSA-N 1 2 385.511 2.023 20 5 GEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000408085053 647924204 /nfs/dbraw/zinc/92/42/04/647924204.db2.gz WFPIMZDYDOFDBA-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000408085053 647924209 /nfs/dbraw/zinc/92/42/09/647924209.db2.gz WFPIMZDYDOFDBA-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO CC[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000573142495 651937015 /nfs/dbraw/zinc/93/70/15/651937015.db2.gz YMCATNZGDBQEAD-GWCFXTLKSA-N 1 2 376.194 2.402 20 5 GEBDLO CC[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000573142495 651937020 /nfs/dbraw/zinc/93/70/20/651937020.db2.gz YMCATNZGDBQEAD-GWCFXTLKSA-N 1 2 376.194 2.402 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)c1 ZINC000595844709 652738063 /nfs/dbraw/zinc/73/80/63/652738063.db2.gz KGRKNAQNCZFFBD-LSDHHAIUSA-N 1 2 381.230 2.362 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(Br)cc2)c1 ZINC000595844709 652738066 /nfs/dbraw/zinc/73/80/66/652738066.db2.gz KGRKNAQNCZFFBD-LSDHHAIUSA-N 1 2 381.230 2.362 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597997136 652796539 /nfs/dbraw/zinc/79/65/39/652796539.db2.gz MBBWZDWEBDUDDK-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597997136 652796543 /nfs/dbraw/zinc/79/65/43/652796543.db2.gz MBBWZDWEBDUDDK-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000599349248 652863308 /nfs/dbraw/zinc/86/33/08/652863308.db2.gz NSRFEJSWWXPWPW-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO O=C(OCCn1cc[nH+]c1)c1ccc(I)c([N+](=O)[O-])c1 ZINC000771953698 653134190 /nfs/dbraw/zinc/13/41/90/653134190.db2.gz SFLNVCGMGSCKTP-UHFFFAOYSA-N 1 2 387.133 2.253 20 5 GEBDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000602670917 653199501 /nfs/dbraw/zinc/19/95/01/653199501.db2.gz HSRBKGFAJSELBB-LBPRGKRZSA-N 1 2 381.376 2.079 20 5 GEBDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000602670917 653199506 /nfs/dbraw/zinc/19/95/06/653199506.db2.gz HSRBKGFAJSELBB-LBPRGKRZSA-N 1 2 381.376 2.079 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000770723774 653222673 /nfs/dbraw/zinc/22/26/73/653222673.db2.gz RIJXOZUXYJOJEH-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000770723774 653222675 /nfs/dbraw/zinc/22/26/75/653222675.db2.gz RIJXOZUXYJOJEH-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@H+]1C ZINC000770717787 653222722 /nfs/dbraw/zinc/22/27/22/653222722.db2.gz YKLLRNGIBYEXAT-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[N@@H+]1C ZINC000770717787 653222724 /nfs/dbraw/zinc/22/27/24/653222724.db2.gz YKLLRNGIBYEXAT-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c(Cl)cc1Cl ZINC000809832213 653306142 /nfs/dbraw/zinc/30/61/42/653306142.db2.gz NTQPWCBQSFUEAW-UHFFFAOYSA-N 1 2 377.209 2.344 20 5 GEBDLO Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814854486 653640473 /nfs/dbraw/zinc/64/04/73/653640473.db2.gz YUQTUTWPMNNTMS-RUZDIDTESA-N 1 2 379.404 2.423 20 5 GEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000815024103 653645227 /nfs/dbraw/zinc/64/52/27/653645227.db2.gz SCAAJQKCABFUST-BDAKNGLRSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000815024103 653645230 /nfs/dbraw/zinc/64/52/30/653645230.db2.gz SCAAJQKCABFUST-BDAKNGLRSA-N 1 2 377.825 2.291 20 5 GEBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000825727013 653938587 /nfs/dbraw/zinc/93/85/87/653938587.db2.gz FMYIWBMGGMXPFS-SNVBAGLBSA-N 1 2 380.202 2.426 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000796070534 653984367 /nfs/dbraw/zinc/98/43/67/653984367.db2.gz NHIYBCOCFWXYRW-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000796070534 653984371 /nfs/dbraw/zinc/98/43/71/653984371.db2.gz NHIYBCOCFWXYRW-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CN(CC(=O)N1CC(n2cc[nH+]c2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796464761 653998494 /nfs/dbraw/zinc/99/84/94/653998494.db2.gz CFEFLGBZZKKMIK-UHFFFAOYSA-N 1 2 394.229 2.074 20 5 GEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000798227574 654055639 /nfs/dbraw/zinc/05/56/39/654055639.db2.gz TWBSNVRMVUXYLI-IUCAKERBSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000798227574 654055643 /nfs/dbraw/zinc/05/56/43/654055643.db2.gz TWBSNVRMVUXYLI-IUCAKERBSA-N 1 2 377.825 2.291 20 5 GEBDLO COc1cc(C)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165009534 721702533 /nfs/dbraw/zinc/70/25/33/721702533.db2.gz APYVZMHZPBDBNU-UHFFFAOYSA-N 1 2 389.460 2.149 20 5 GEBDLO COc1cc(C)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1[N+](=O)[O-] ZINC001165009534 721702537 /nfs/dbraw/zinc/70/25/37/721702537.db2.gz APYVZMHZPBDBNU-UHFFFAOYSA-N 1 2 389.460 2.149 20 5 GEBDLO CC(C)(CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCOCC1 ZINC000017854232 210211106 /nfs/dbraw/zinc/21/11/06/210211106.db2.gz NUVVDIHBCAOQCE-UHFFFAOYSA-N 1 2 390.484 2.038 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000155216758 531667025 /nfs/dbraw/zinc/66/70/25/531667025.db2.gz ITLQAAXRXGBRAB-JTQLQIEISA-N 1 2 387.234 2.200 20 5 GEBDLO CCN(C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)S(C)(=O)=O ZINC000172180041 531937921 /nfs/dbraw/zinc/93/79/21/531937921.db2.gz DYUFRCFWOPHVJF-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119432595 531967906 /nfs/dbraw/zinc/96/79/06/531967906.db2.gz YLPHKCCPYPHAGN-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174854853 532081070 /nfs/dbraw/zinc/08/10/70/532081070.db2.gz KQKOPJGLTAJEPE-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2cccnc2-n2cc[nH+]c2)s1 ZINC000181450058 532299354 /nfs/dbraw/zinc/29/93/54/532299354.db2.gz JIVZGSGTIUOIHU-UHFFFAOYSA-N 1 2 379.423 2.253 20 5 GEBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000184825363 532334858 /nfs/dbraw/zinc/33/48/58/532334858.db2.gz PUWQKYGQHKCROC-LBPRGKRZSA-N 1 2 398.257 2.294 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000279458016 532395539 /nfs/dbraw/zinc/39/55/39/532395539.db2.gz CWMXKQAPEXBQMC-LLVKDONJSA-N 1 2 386.246 2.150 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000372538120 532395122 /nfs/dbraw/zinc/39/51/22/532395122.db2.gz NSOBKUGLJJTYGV-UHFFFAOYSA-N 1 2 384.845 2.302 20 5 GEBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000427820736 532433582 /nfs/dbraw/zinc/43/35/82/532433582.db2.gz WELBUWFWWFVRPA-UHFFFAOYSA-N 1 2 393.201 2.151 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598001362 532637039 /nfs/dbraw/zinc/63/70/39/532637039.db2.gz ZVKAPVASPJJCRQ-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000598001362 532637041 /nfs/dbraw/zinc/63/70/41/532637041.db2.gz ZVKAPVASPJJCRQ-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000542054107 532764464 /nfs/dbraw/zinc/76/44/64/532764464.db2.gz KGHOUNFQXXLQGX-UHFFFAOYSA-N 1 2 377.209 2.344 20 5 GEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000287264172 532788055 /nfs/dbraw/zinc/78/80/55/532788055.db2.gz KFMBXXZJZJUTLC-WCQYABFASA-N 1 2 398.257 2.293 20 5 GEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000287264170 532788702 /nfs/dbraw/zinc/78/87/02/532788702.db2.gz KFMBXXZJZJUTLC-DGCLKSJQSA-N 1 2 398.257 2.293 20 5 GEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290725627 532887644 /nfs/dbraw/zinc/88/76/44/532887644.db2.gz XYZMXZQLSMHIOV-RYUDHWBXSA-N 1 2 398.257 2.293 20 5 GEBDLO CS[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275835864 532884111 /nfs/dbraw/zinc/88/41/11/532884111.db2.gz PCGQYJZRXJUVEL-NEPJUHHUSA-N 1 2 391.540 2.076 20 5 GEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000293686696 532930327 /nfs/dbraw/zinc/93/03/27/532930327.db2.gz WAEIRRIDHAXHSL-LBPRGKRZSA-N 1 2 381.376 2.079 20 5 GEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000293686696 532930328 /nfs/dbraw/zinc/93/03/28/532930328.db2.gz WAEIRRIDHAXHSL-LBPRGKRZSA-N 1 2 381.376 2.079 20 5 GEBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000823630075 599379412 /nfs/dbraw/zinc/37/94/12/599379412.db2.gz QQNGCZNGAPJMAC-KRWDZBQOSA-N 1 2 395.423 2.260 20 5 GEBDLO O=[N+]([O-])c1ccc2nc(N3CCC[C@H](n4cc[nH+]c4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645509 599525165 /nfs/dbraw/zinc/52/51/65/599525165.db2.gz RYQMXZYMCUWFNH-ZDUSSCGKSA-N 1 2 391.395 2.361 20 5 GEBDLO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](n4cc[nH+]c4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823645508 599525658 /nfs/dbraw/zinc/52/56/58/599525658.db2.gz RYQMXZYMCUWFNH-CYBMUJFWSA-N 1 2 391.395 2.361 20 5 GEBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000823624554 606701713 /nfs/dbraw/zinc/70/17/13/606701713.db2.gz CJLKVCYHPYNGBJ-UHFFFAOYSA-N 1 2 381.331 2.107 20 5 GEBDLO C[C@H]1C[C@H](O)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449772565 650049763 /nfs/dbraw/zinc/04/97/63/650049763.db2.gz IGHBRKHUGGMOKM-ZANVPECISA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@H]1C[C@H](O)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449772565 650049766 /nfs/dbraw/zinc/04/97/66/650049766.db2.gz IGHBRKHUGGMOKM-ZANVPECISA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000507907274 650469657 /nfs/dbraw/zinc/46/96/57/650469657.db2.gz UPOZRDJYKFZOMZ-UWVGGRQHSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000507907274 650469660 /nfs/dbraw/zinc/46/96/60/650469660.db2.gz UPOZRDJYKFZOMZ-UWVGGRQHSA-N 1 2 381.376 2.327 20 5 GEBDLO COc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000125895002 643715410 /nfs/dbraw/zinc/71/54/10/643715410.db2.gz SVXPBUIBVYMKSV-FORDYWAESA-N 1 2 380.413 2.446 20 5 GEBDLO COc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000125895002 643715413 /nfs/dbraw/zinc/71/54/13/643715413.db2.gz SVXPBUIBVYMKSV-FORDYWAESA-N 1 2 380.413 2.446 20 5 GEBDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000253602785 645571063 /nfs/dbraw/zinc/57/10/63/645571063.db2.gz FNNBDGBQSWDVGR-TXEJJXNPSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000253602785 645571070 /nfs/dbraw/zinc/57/10/70/645571070.db2.gz FNNBDGBQSWDVGR-TXEJJXNPSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000288666230 646922567 /nfs/dbraw/zinc/92/25/67/646922567.db2.gz ALBHYSVKMHJYDU-DGCLKSJQSA-N 1 2 398.257 2.293 20 5 GEBDLO Cc1c(Br)c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000612444742 651757139 /nfs/dbraw/zinc/75/71/39/651757139.db2.gz MQVNVLOISQTLGP-AAEUAGOBSA-N 1 2 385.262 2.096 20 5 GEBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000577787361 652216023 /nfs/dbraw/zinc/21/60/23/652216023.db2.gz MWSNUWRIWGUQPL-JTQLQIEISA-N 1 2 387.234 2.049 20 5 GEBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000577787361 652216033 /nfs/dbraw/zinc/21/60/33/652216033.db2.gz MWSNUWRIWGUQPL-JTQLQIEISA-N 1 2 387.234 2.049 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCSC1 ZINC000772047203 653138030 /nfs/dbraw/zinc/13/80/30/653138030.db2.gz IKZHFMYYOLIOIJ-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCSC1 ZINC000772047203 653138034 /nfs/dbraw/zinc/13/80/34/653138034.db2.gz IKZHFMYYOLIOIJ-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825241 653302896 /nfs/dbraw/zinc/30/28/96/653302896.db2.gz CEIIVWPVRWWAHV-QPUJVOFHSA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825241 653302903 /nfs/dbraw/zinc/30/29/03/653302903.db2.gz CEIIVWPVRWWAHV-QPUJVOFHSA-N 1 2 377.825 2.148 20 5 GEBDLO CC[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCOC1 ZINC000812295476 653420595 /nfs/dbraw/zinc/42/05/95/653420595.db2.gz GYYFGCSWKQPYGY-LLVKDONJSA-N 1 2 384.230 2.381 20 5 GEBDLO CC[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCOC1 ZINC000812295476 653420596 /nfs/dbraw/zinc/42/05/96/653420596.db2.gz GYYFGCSWKQPYGY-LLVKDONJSA-N 1 2 384.230 2.381 20 5 GEBDLO CC1=CC[N@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815034410 653646592 /nfs/dbraw/zinc/64/65/92/653646592.db2.gz NQCGKPJQJJFQQS-UHFFFAOYSA-N 1 2 377.825 2.318 20 5 GEBDLO CC1=CC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815034410 653646593 /nfs/dbraw/zinc/64/65/93/653646593.db2.gz NQCGKPJQJJFQQS-UHFFFAOYSA-N 1 2 377.825 2.318 20 5 GEBDLO COC(=O)[C@H](O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839524468 653653803 /nfs/dbraw/zinc/65/38/03/653653803.db2.gz GYGZBUXGIIBUOQ-CQSZACIVSA-N 1 2 387.230 2.103 20 5 GEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881464416 653732222 /nfs/dbraw/zinc/73/22/22/653732222.db2.gz OJJXYMOACOMDJJ-LLVKDONJSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000881464416 653732223 /nfs/dbraw/zinc/73/22/23/653732223.db2.gz OJJXYMOACOMDJJ-LLVKDONJSA-N 1 2 386.246 2.198 20 5 GEBDLO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCc2c[nH+]cn2C1 ZINC000881865233 653744707 /nfs/dbraw/zinc/74/47/07/653744707.db2.gz RKOHGSLPDIDEIB-NSHDSACASA-N 1 2 379.214 2.433 20 5 GEBDLO Cc1cccc(NCCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH+]1 ZINC000795865007 653972671 /nfs/dbraw/zinc/97/26/71/653972671.db2.gz AJVXGCXVGKIKFV-UHFFFAOYSA-N 1 2 388.808 2.481 20 5 GEBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884008 653975063 /nfs/dbraw/zinc/97/50/63/653975063.db2.gz XLJAHFNULPKPQF-PRHODGIISA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884008 653975069 /nfs/dbraw/zinc/97/50/69/653975069.db2.gz XLJAHFNULPKPQF-PRHODGIISA-N 1 2 377.825 2.148 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921323592 654248416 /nfs/dbraw/zinc/24/84/16/654248416.db2.gz KVEOZERTKBDIJS-WCQYABFASA-N 1 2 391.902 2.106 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921323592 654248417 /nfs/dbraw/zinc/24/84/17/654248417.db2.gz KVEOZERTKBDIJS-WCQYABFASA-N 1 2 391.902 2.106 20 5 GEBDLO Cn1c[nH+]cc1CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803546886 654283783 /nfs/dbraw/zinc/28/37/83/654283783.db2.gz OXHXUXFXRMMKOU-UHFFFAOYSA-N 1 2 379.214 2.218 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853590156 654306623 /nfs/dbraw/zinc/30/66/23/654306623.db2.gz MHDCUAJWDFRUCS-JQWIXIFHSA-N 1 2 396.241 2.239 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853590156 654306626 /nfs/dbraw/zinc/30/66/26/654306626.db2.gz MHDCUAJWDFRUCS-JQWIXIFHSA-N 1 2 396.241 2.239 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853590159 654306833 /nfs/dbraw/zinc/30/68/33/654306833.db2.gz MHDCUAJWDFRUCS-PWSUYJOCSA-N 1 2 396.241 2.239 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853590159 654306838 /nfs/dbraw/zinc/30/68/38/654306838.db2.gz MHDCUAJWDFRUCS-PWSUYJOCSA-N 1 2 396.241 2.239 20 5 GEBDLO Cc1ccc(N2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804497705 654311506 /nfs/dbraw/zinc/31/15/06/654311506.db2.gz HNEHVNMHBBWLCI-QFIPXVFZSA-N 1 2 390.303 2.166 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001165010225 721701047 /nfs/dbraw/zinc/70/10/47/721701047.db2.gz FSFLYODSZFFMDP-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001165010225 721701049 /nfs/dbraw/zinc/70/10/49/721701049.db2.gz FSFLYODSZFFMDP-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO O=[N+]([O-])c1ccc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1Cl ZINC001165039819 721904594 /nfs/dbraw/zinc/90/45/94/721904594.db2.gz VLTLNAGTWCVOAW-NSHDSACASA-N 1 2 376.791 2.489 20 5 GEBDLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001164942454 721969351 /nfs/dbraw/zinc/96/93/51/721969351.db2.gz CASDHWXTXNXHJP-UHFFFAOYSA-N 1 2 395.463 2.269 20 5 GEBDLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001164942454 721969353 /nfs/dbraw/zinc/96/93/53/721969353.db2.gz CASDHWXTXNXHJP-UHFFFAOYSA-N 1 2 395.463 2.269 20 5 GEBDLO CN(Cc1[nH+]ccn1C)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000018060098 531575487 /nfs/dbraw/zinc/57/54/87/531575487.db2.gz BPYJUMRHDISWHY-UHFFFAOYSA-N 1 2 378.332 2.258 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C2 ZINC000121336724 532022952 /nfs/dbraw/zinc/02/29/52/532022952.db2.gz UJSAPFSGKMCYQU-LLVKDONJSA-N 1 2 384.845 2.355 20 5 GEBDLO Cc1sc(S(=O)(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000125627635 532139449 /nfs/dbraw/zinc/13/94/49/532139449.db2.gz OPCMYKCRZQZZNS-LBPRGKRZSA-N 1 2 384.483 2.342 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000151155320 532307778 /nfs/dbraw/zinc/30/77/78/532307778.db2.gz PFXSRADZXXQBEP-ZDUSSCGKSA-N 1 2 383.813 2.485 20 5 GEBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000425399898 532385791 /nfs/dbraw/zinc/38/57/91/532385791.db2.gz FFNIVBYTUGDUJI-UHFFFAOYSA-N 1 2 380.246 2.398 20 5 GEBDLO C[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000558460152 532391710 /nfs/dbraw/zinc/39/17/10/532391710.db2.gz NBIGIPTXGNAOCK-NOZJJQNGSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1CO ZINC000558460152 532391714 /nfs/dbraw/zinc/39/17/14/532391714.db2.gz NBIGIPTXGNAOCK-NOZJJQNGSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000558460153 532392695 /nfs/dbraw/zinc/39/26/95/532392695.db2.gz NBIGIPTXGNAOCK-RNCFNFMXSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1CO ZINC000558460153 532392702 /nfs/dbraw/zinc/39/27/02/532392702.db2.gz NBIGIPTXGNAOCK-RNCFNFMXSA-N 1 2 376.194 2.402 20 5 GEBDLO COCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000591840800 532426533 /nfs/dbraw/zinc/42/65/33/532426533.db2.gz REBLKTNVYVTIHK-UHFFFAOYSA-N 1 2 386.246 2.084 20 5 GEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000373403384 532447286 /nfs/dbraw/zinc/44/72/86/532447286.db2.gz OCQQFAOMIWLLDK-UHFFFAOYSA-N 1 2 394.225 2.414 20 5 GEBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000373403384 532447294 /nfs/dbraw/zinc/44/72/94/532447294.db2.gz OCQQFAOMIWLLDK-UHFFFAOYSA-N 1 2 394.225 2.414 20 5 GEBDLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595382055 532561954 /nfs/dbraw/zinc/56/19/54/532561954.db2.gz BUURTJWKWFLOIR-QMMMGPOBSA-N 1 2 378.332 2.387 20 5 GEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000376841735 532631245 /nfs/dbraw/zinc/63/12/45/532631245.db2.gz JAUQPFIITZDARR-NSHDSACASA-N 1 2 384.845 2.468 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 ZINC000598001364 532636693 /nfs/dbraw/zinc/63/66/93/532636693.db2.gz ZVKAPVASPJJCRQ-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)CO1 ZINC000598001364 532636699 /nfs/dbraw/zinc/63/66/99/532636699.db2.gz ZVKAPVASPJJCRQ-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO NS(=O)(=O)c1cc(NCc2cn3cc(Cl)ccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000301123370 532740742 /nfs/dbraw/zinc/74/07/42/532740742.db2.gz UEQSXWMYQGNGOS-UHFFFAOYSA-N 1 2 381.801 2.155 20 5 GEBDLO CC(C)NC(=O)C[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301331256 532748633 /nfs/dbraw/zinc/74/86/33/532748633.db2.gz DQEWKMMFOQCBEF-UHFFFAOYSA-N 1 2 385.262 2.004 20 5 GEBDLO CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000301379352 532749870 /nfs/dbraw/zinc/74/98/70/532749870.db2.gz ZIGVBHTXDWGLQY-SNVBAGLBSA-N 1 2 381.376 2.419 20 5 GEBDLO CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000301379352 532749877 /nfs/dbraw/zinc/74/98/77/532749877.db2.gz ZIGVBHTXDWGLQY-SNVBAGLBSA-N 1 2 381.376 2.419 20 5 GEBDLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412062785 532784846 /nfs/dbraw/zinc/78/48/46/532784846.db2.gz BPYBKKPMTRCRDM-SNVBAGLBSA-N 1 2 387.845 2.025 20 5 GEBDLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000412062785 532784849 /nfs/dbraw/zinc/78/48/49/532784849.db2.gz BPYBKKPMTRCRDM-SNVBAGLBSA-N 1 2 387.845 2.025 20 5 GEBDLO O=c1nc([C@H]2CCC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289169441 532848820 /nfs/dbraw/zinc/84/88/20/532848820.db2.gz FFEVPRZTJULVTC-JTQLQIEISA-N 1 2 382.218 2.148 20 5 GEBDLO O=c1nc([C@H]2CCC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289169441 532848821 /nfs/dbraw/zinc/84/88/21/532848821.db2.gz FFEVPRZTJULVTC-JTQLQIEISA-N 1 2 382.218 2.148 20 5 GEBDLO Cc1c(Br)c(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000443998838 649931048 /nfs/dbraw/zinc/93/10/48/649931048.db2.gz XCJDVNIGTVRXBJ-JTQLQIEISA-N 1 2 387.278 2.342 20 5 GEBDLO Cc1c(Br)c(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000443998838 649931052 /nfs/dbraw/zinc/93/10/52/649931052.db2.gz XCJDVNIGTVRXBJ-JTQLQIEISA-N 1 2 387.278 2.342 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447658730 650007900 /nfs/dbraw/zinc/00/79/00/650007900.db2.gz JKMXQKQRIHDISS-LLVKDONJSA-N 1 2 386.246 2.150 20 5 GEBDLO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449772563 650049682 /nfs/dbraw/zinc/04/96/82/650049682.db2.gz IGHBRKHUGGMOKM-NOZJJQNGSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449772563 650049683 /nfs/dbraw/zinc/04/96/83/650049683.db2.gz IGHBRKHUGGMOKM-NOZJJQNGSA-N 1 2 376.194 2.402 20 5 GEBDLO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000502379907 650405791 /nfs/dbraw/zinc/40/57/91/650405791.db2.gz OUBFRDAFGVOIFE-CQSZACIVSA-N 1 2 385.467 2.246 20 5 GEBDLO Cc1sc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510517823 650513129 /nfs/dbraw/zinc/51/31/29/650513129.db2.gz LRAFMYNFTBPQPY-UHFFFAOYSA-N 1 2 381.479 2.470 20 5 GEBDLO Cc1sc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000510517823 650513132 /nfs/dbraw/zinc/51/31/32/650513132.db2.gz LRAFMYNFTBPQPY-UHFFFAOYSA-N 1 2 381.479 2.470 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000511226428 650529706 /nfs/dbraw/zinc/52/97/06/650529706.db2.gz ZZGZKMPKAATEDX-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000511226428 650529709 /nfs/dbraw/zinc/52/97/09/650529709.db2.gz ZZGZKMPKAATEDX-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000183795957 645004038 /nfs/dbraw/zinc/00/40/38/645004038.db2.gz SEKQRQMTLVDORG-JSGCOSHPSA-N 1 2 381.479 2.455 20 5 GEBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000183795957 645004040 /nfs/dbraw/zinc/00/40/40/645004040.db2.gz SEKQRQMTLVDORG-JSGCOSHPSA-N 1 2 381.479 2.455 20 5 GEBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000269493757 646040423 /nfs/dbraw/zinc/04/04/23/646040423.db2.gz UOBXOFCTBMDRNE-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412038901 648041693 /nfs/dbraw/zinc/04/16/93/648041693.db2.gz HNTJUDNYKMOFIQ-DMDPSCGWSA-N 1 2 398.257 2.389 20 5 GEBDLO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000412038901 648041699 /nfs/dbraw/zinc/04/16/99/648041699.db2.gz HNTJUDNYKMOFIQ-DMDPSCGWSA-N 1 2 398.257 2.389 20 5 GEBDLO O=C(c1cc([N+](=O)[O-])ccc1I)N1CC(n2cc[nH+]c2)C1 ZINC000733983715 651732919 /nfs/dbraw/zinc/73/29/19/651732919.db2.gz PHKOZRHOYBTPKE-UHFFFAOYSA-N 1 2 398.160 2.093 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587066257 652544234 /nfs/dbraw/zinc/54/42/34/652544234.db2.gz BWNQVTORQZROGF-LLVKDONJSA-N 1 2 379.214 2.228 20 5 GEBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000592390720 652593277 /nfs/dbraw/zinc/59/32/77/652593277.db2.gz MXXVVASKDUFEPW-LBPRGKRZSA-N 1 2 386.232 2.224 20 5 GEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000768560061 653117441 /nfs/dbraw/zinc/11/74/41/653117441.db2.gz AYLBGJLYKWYTER-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000768560061 653117445 /nfs/dbraw/zinc/11/74/45/653117445.db2.gz AYLBGJLYKWYTER-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000768560844 653117492 /nfs/dbraw/zinc/11/74/92/653117492.db2.gz GHNXHXLWXFUTSX-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000768560844 653117503 /nfs/dbraw/zinc/11/75/03/653117503.db2.gz GHNXHXLWXFUTSX-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000769842376 653181497 /nfs/dbraw/zinc/18/14/97/653181497.db2.gz NMLYPGBTIFVBCC-LBPRGKRZSA-N 1 2 389.499 2.115 20 5 GEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874702697 653332936 /nfs/dbraw/zinc/33/29/36/653332936.db2.gz NLAXLWMTUOFMKK-NSHDSACASA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874702697 653332942 /nfs/dbraw/zinc/33/29/42/653332942.db2.gz NLAXLWMTUOFMKK-NSHDSACASA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874710777 653333424 /nfs/dbraw/zinc/33/34/24/653333424.db2.gz SBCMUMZHMHLZIZ-LLVKDONJSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000874710777 653333430 /nfs/dbraw/zinc/33/34/30/653333430.db2.gz SBCMUMZHMHLZIZ-LLVKDONJSA-N 1 2 386.246 2.198 20 5 GEBDLO COCC[N@H+](CCC(=O)OC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000876737926 653445522 /nfs/dbraw/zinc/44/55/22/653445522.db2.gz VTLDOAVZFMSJOU-UHFFFAOYSA-N 1 2 381.248 2.430 20 5 GEBDLO COCC[N@@H+](CCC(=O)OC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000876737926 653445525 /nfs/dbraw/zinc/44/55/25/653445525.db2.gz VTLDOAVZFMSJOU-UHFFFAOYSA-N 1 2 381.248 2.430 20 5 GEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000779214433 653469710 /nfs/dbraw/zinc/46/97/10/653469710.db2.gz FGDPMLAHBSLHQA-SECBINFHSA-N 1 2 383.177 2.438 20 5 GEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000815024104 653645240 /nfs/dbraw/zinc/64/52/40/653645240.db2.gz SCAAJQKCABFUST-DTWKUNHWSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000815024104 653645244 /nfs/dbraw/zinc/64/52/44/653645244.db2.gz SCAAJQKCABFUST-DTWKUNHWSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025776 653645396 /nfs/dbraw/zinc/64/53/96/653645396.db2.gz KJNCVUCDPPVVOI-PRHODGIISA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025776 653645397 /nfs/dbraw/zinc/64/53/97/653645397.db2.gz KJNCVUCDPPVVOI-PRHODGIISA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000896205048 653868991 /nfs/dbraw/zinc/86/89/91/653868991.db2.gz OWGSMVUMPJAWMM-QMMMGPOBSA-N 1 2 380.203 2.179 20 5 GEBDLO C[N@H+](C[C@H]1CCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427624 653951839 /nfs/dbraw/zinc/95/18/39/653951839.db2.gz LKNFHFJTWOTWSC-LLVKDONJSA-N 1 2 384.230 2.381 20 5 GEBDLO C[N@@H+](C[C@H]1CCCO1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427624 653951841 /nfs/dbraw/zinc/95/18/41/653951841.db2.gz LKNFHFJTWOTWSC-LLVKDONJSA-N 1 2 384.230 2.381 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000796075260 653984643 /nfs/dbraw/zinc/98/46/43/653984643.db2.gz XUJMHMBWSXVQIN-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000796075260 653984650 /nfs/dbraw/zinc/98/46/50/653984650.db2.gz XUJMHMBWSXVQIN-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC(C)(C)SCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000801910464 654212271 /nfs/dbraw/zinc/21/22/71/654212271.db2.gz LMASINWBYWERDD-UHFFFAOYSA-N 1 2 387.527 2.433 20 5 GEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc(C)c2[N+](=O)[O-])CC1 ZINC001164915813 721812057 /nfs/dbraw/zinc/81/20/57/721812057.db2.gz CIDOWJMIQGWLJT-UHFFFAOYSA-N 1 2 391.863 2.293 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000026839663 531619839 /nfs/dbraw/zinc/61/98/39/531619839.db2.gz OHAMJFUHTCEJBM-GFCCVEGCSA-N 1 2 381.479 2.381 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000026839663 531619844 /nfs/dbraw/zinc/61/98/44/531619844.db2.gz OHAMJFUHTCEJBM-GFCCVEGCSA-N 1 2 381.479 2.381 20 5 GEBDLO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000160546726 531810455 /nfs/dbraw/zinc/81/04/55/531810455.db2.gz KWIIFNLPMFRYFV-NSHDSACASA-N 1 2 377.260 2.366 20 5 GEBDLO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000160546726 531810466 /nfs/dbraw/zinc/81/04/66/531810466.db2.gz KWIIFNLPMFRYFV-NSHDSACASA-N 1 2 377.260 2.366 20 5 GEBDLO CCN(C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000119432757 531967694 /nfs/dbraw/zinc/96/76/94/531967694.db2.gz WHBNZCIDHVSYGI-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000121436046 532028945 /nfs/dbraw/zinc/02/89/45/532028945.db2.gz NOOINTWJLMYWCZ-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1Br)[NH+]1CCOCC1 ZINC000182660582 532316153 /nfs/dbraw/zinc/31/61/53/532316153.db2.gz VWRSFPPGNBDGKM-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000375055470 532529788 /nfs/dbraw/zinc/52/97/88/532529788.db2.gz CSSNZVOGXCXBTP-GFCCVEGCSA-N 1 2 398.257 2.212 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710260 532625886 /nfs/dbraw/zinc/62/58/86/532625886.db2.gz RTWDWRIWBNPOJM-ZDUSSCGKSA-N 1 2 398.257 2.294 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000501180582 532738639 /nfs/dbraw/zinc/73/86/39/532738639.db2.gz VBXSOXJXPVVKQF-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000501180582 532738644 /nfs/dbraw/zinc/73/86/44/532738644.db2.gz VBXSOXJXPVVKQF-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@@H](CNc1ccc(I)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301083276 532739555 /nfs/dbraw/zinc/73/95/55/532739555.db2.gz GZHROAMOLHVFIT-JTQLQIEISA-N 1 2 391.209 2.332 20 5 GEBDLO NS(=O)(=O)c1cccc(NCc2cn3cc(Cl)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000302028038 532764309 /nfs/dbraw/zinc/76/43/09/532764309.db2.gz LXZYSRYQJAPCNC-UHFFFAOYSA-N 1 2 381.801 2.155 20 5 GEBDLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412085156 532785824 /nfs/dbraw/zinc/78/58/24/532785824.db2.gz UDIJVGTYIKVFQZ-SNVBAGLBSA-N 1 2 387.845 2.025 20 5 GEBDLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412085156 532785828 /nfs/dbraw/zinc/78/58/28/532785828.db2.gz UDIJVGTYIKVFQZ-SNVBAGLBSA-N 1 2 387.845 2.025 20 5 GEBDLO O=[N+]([O-])c1cc(I)cc(C[NH2+]Cc2nnc3n2CCC3)c1 ZINC000289865350 532866718 /nfs/dbraw/zinc/86/67/18/532866718.db2.gz LLFFNIKUYCYZOX-UHFFFAOYSA-N 1 2 399.192 2.027 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457577 532877914 /nfs/dbraw/zinc/87/79/14/532877914.db2.gz XSHKEFKQIWCRCY-VHSXEESVSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457577 532877916 /nfs/dbraw/zinc/87/79/16/532877916.db2.gz XSHKEFKQIWCRCY-VHSXEESVSA-N 1 2 381.376 2.327 20 5 GEBDLO O=[N+]([O-])c1ccc2nc(N3CCC(n4cc[nH+]c4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823643871 599509845 /nfs/dbraw/zinc/50/98/45/599509845.db2.gz DNNWOHYRQDNJNO-UHFFFAOYSA-N 1 2 391.395 2.361 20 5 GEBDLO Cc1[nH+]ccn1-c1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1F ZINC000822477427 606702161 /nfs/dbraw/zinc/70/21/61/606702161.db2.gz LPGZXEGCNCGNPF-UHFFFAOYSA-N 1 2 395.358 2.415 20 5 GEBDLO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826500271 608511613 /nfs/dbraw/zinc/51/16/13/608511613.db2.gz REDMHYNMSFNQGH-HWKANZROSA-N 1 2 392.423 2.005 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000507969928 650471048 /nfs/dbraw/zinc/47/10/48/650471048.db2.gz MZDYUMDXYBKJTJ-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000507969928 650471050 /nfs/dbraw/zinc/47/10/50/650471050.db2.gz MZDYUMDXYBKJTJ-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@@H+]1C ZINC000507981717 650471790 /nfs/dbraw/zinc/47/17/90/650471790.db2.gz CQOKRQIYLZDMEJ-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@H+]1C ZINC000507981717 650471793 /nfs/dbraw/zinc/47/17/93/650471793.db2.gz CQOKRQIYLZDMEJ-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@H+](CCNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000523462455 650635339 /nfs/dbraw/zinc/63/53/39/650635339.db2.gz IDYLPSHTKWCTCF-LLVKDONJSA-N 1 2 395.257 2.460 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CCO1 ZINC000523462455 650635341 /nfs/dbraw/zinc/63/53/41/650635341.db2.gz IDYLPSHTKWCTCF-LLVKDONJSA-N 1 2 395.257 2.460 20 5 GEBDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000131250227 643868470 /nfs/dbraw/zinc/86/84/70/643868470.db2.gz QCKCPFLGCZKANX-VXGBXAGGSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000183795939 645004012 /nfs/dbraw/zinc/00/40/12/645004012.db2.gz SEKQRQMTLVDORG-OCCSQVGLSA-N 1 2 381.479 2.455 20 5 GEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000183795939 645004015 /nfs/dbraw/zinc/00/40/15/645004015.db2.gz SEKQRQMTLVDORG-OCCSQVGLSA-N 1 2 381.479 2.455 20 5 GEBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269499840 646041562 /nfs/dbraw/zinc/04/15/62/646041562.db2.gz WOPVIXPMKZXHSR-VIFPVBQESA-N 1 2 378.332 2.177 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000279339110 646592844 /nfs/dbraw/zinc/59/28/44/646592844.db2.gz PYWWHQZVVMJKBN-NSHDSACASA-N 1 2 386.246 2.150 20 5 GEBDLO CN(C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)S(C)(=O)=O ZINC000285629756 646859459 /nfs/dbraw/zinc/85/94/59/646859459.db2.gz NSXNXZKPFGZNOZ-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)S(C)(=O)=O ZINC000285629756 646859461 /nfs/dbraw/zinc/85/94/61/646859461.db2.gz NSXNXZKPFGZNOZ-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287482620 646888511 /nfs/dbraw/zinc/88/85/11/646888511.db2.gz SZYJPLALBRIKIL-WCQYABFASA-N 1 2 398.257 2.293 20 5 GEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364761295 647641003 /nfs/dbraw/zinc/64/10/03/647641003.db2.gz YSQAJWRRKFMISB-AWEZNQCLSA-N 1 2 385.511 2.023 20 5 GEBDLO Cc1c(Br)c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000612444747 651757041 /nfs/dbraw/zinc/75/70/41/651757041.db2.gz MQVNVLOISQTLGP-YPMHNXCESA-N 1 2 385.262 2.096 20 5 GEBDLO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000584688731 652525603 /nfs/dbraw/zinc/52/56/03/652525603.db2.gz GEWDNGULHJUYHJ-RNCFNFMXSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000584688731 652525606 /nfs/dbraw/zinc/52/56/06/652525606.db2.gz GEWDNGULHJUYHJ-RNCFNFMXSA-N 1 2 376.194 2.402 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587066260 652544258 /nfs/dbraw/zinc/54/42/58/652544258.db2.gz BWNQVTORQZROGF-NSHDSACASA-N 1 2 379.214 2.228 20 5 GEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCn2cc(Br)cn2)c1 ZINC000589516927 652568140 /nfs/dbraw/zinc/56/81/40/652568140.db2.gz ALCGESULFQLFRO-UHFFFAOYSA-N 1 2 397.229 2.472 20 5 GEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCn2cc(Br)cn2)c1 ZINC000589516927 652568141 /nfs/dbraw/zinc/56/81/41/652568141.db2.gz ALCGESULFQLFRO-UHFFFAOYSA-N 1 2 397.229 2.472 20 5 GEBDLO C[C@H]([C@H](C)NC(=O)c1c(Br)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000599349250 652863130 /nfs/dbraw/zinc/86/31/30/652863130.db2.gz NSRFEJSWWXPWPW-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000770716728 653222143 /nfs/dbraw/zinc/22/21/43/653222143.db2.gz LGQDLTOAXGITJI-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000770716728 653222149 /nfs/dbraw/zinc/22/21/49/653222149.db2.gz LGQDLTOAXGITJI-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809805893 653296531 /nfs/dbraw/zinc/29/65/31/653296531.db2.gz SFWHKFWLCULCOH-UHFFFAOYSA-N 1 2 379.841 2.350 20 5 GEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000779214435 653469822 /nfs/dbraw/zinc/46/98/22/653469822.db2.gz FGDPMLAHBSLHQA-VIFPVBQESA-N 1 2 383.177 2.438 20 5 GEBDLO CC1CC[NH+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814988807 653642097 /nfs/dbraw/zinc/64/20/97/653642097.db2.gz XFSIVSQYZFLEEE-UHFFFAOYSA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025778 653645500 /nfs/dbraw/zinc/64/55/00/653645500.db2.gz KJNCVUCDPPVVOI-QPUJVOFHSA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025778 653645503 /nfs/dbraw/zinc/64/55/03/653645503.db2.gz KJNCVUCDPPVVOI-QPUJVOFHSA-N 1 2 377.825 2.148 20 5 GEBDLO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCc2[nH+]ccn2C1 ZINC000881863740 653744298 /nfs/dbraw/zinc/74/42/98/653744298.db2.gz DGRNYYZDNKXJLJ-LLVKDONJSA-N 1 2 379.214 2.433 20 5 GEBDLO COC(C[N@H+](CCCO)Cc1ccc(Br)cc1[N+](=O)[O-])OC ZINC000822836012 653842274 /nfs/dbraw/zinc/84/22/74/653842274.db2.gz JASVOXZPVPPLIW-UHFFFAOYSA-N 1 2 377.235 2.161 20 5 GEBDLO COC(C[N@@H+](CCCO)Cc1ccc(Br)cc1[N+](=O)[O-])OC ZINC000822836012 653842279 /nfs/dbraw/zinc/84/22/79/653842279.db2.gz JASVOXZPVPPLIW-UHFFFAOYSA-N 1 2 377.235 2.161 20 5 GEBDLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000886470181 653988221 /nfs/dbraw/zinc/98/82/21/653988221.db2.gz CMAQTANUDCQUQU-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000886470181 653988223 /nfs/dbraw/zinc/98/82/23/653988223.db2.gz CMAQTANUDCQUQU-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ncc3Br)sc2C1 ZINC000798152376 654052054 /nfs/dbraw/zinc/05/20/54/654052054.db2.gz KPKJJKDLYYFZTP-UHFFFAOYSA-N 1 2 398.242 2.449 20 5 GEBDLO C[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ncc3Br)sc2C1 ZINC000798152376 654052059 /nfs/dbraw/zinc/05/20/59/654052059.db2.gz KPKJJKDLYYFZTP-UHFFFAOYSA-N 1 2 398.242 2.449 20 5 GEBDLO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225856 654054871 /nfs/dbraw/zinc/05/48/71/654054871.db2.gz OXHFQBHERFJTGS-JTQLQIEISA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000798225856 654054875 /nfs/dbraw/zinc/05/48/75/654054875.db2.gz OXHFQBHERFJTGS-JTQLQIEISA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@@H+]1C1CC1 ZINC000798226767 654055345 /nfs/dbraw/zinc/05/53/45/654055345.db2.gz FISTXAIMMOPHJK-BDAKNGLRSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@H+]1C1CC1 ZINC000798226767 654055348 /nfs/dbraw/zinc/05/53/48/654055348.db2.gz FISTXAIMMOPHJK-BDAKNGLRSA-N 1 2 377.825 2.291 20 5 GEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000903208278 654226501 /nfs/dbraw/zinc/22/65/01/654226501.db2.gz GCRWUQVQFVIATR-LLVKDONJSA-N 1 2 379.360 2.082 20 5 GEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832414947 654265300 /nfs/dbraw/zinc/26/53/00/654265300.db2.gz NGRVSQGRTJTAPJ-JTQLQIEISA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832414947 654265307 /nfs/dbraw/zinc/26/53/07/654265307.db2.gz NGRVSQGRTJTAPJ-JTQLQIEISA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832414007 654265391 /nfs/dbraw/zinc/26/53/91/654265391.db2.gz BIRMGXGVDICZNN-SNVBAGLBSA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000832414007 654265395 /nfs/dbraw/zinc/26/53/95/654265395.db2.gz BIRMGXGVDICZNN-SNVBAGLBSA-N 1 2 379.841 2.492 20 5 GEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000928641990 654653734 /nfs/dbraw/zinc/65/37/34/654653734.db2.gz UGPQJHPAZLSFCY-LLVKDONJSA-N 1 2 386.246 2.198 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001165007545 721694029 /nfs/dbraw/zinc/69/40/29/721694029.db2.gz FATIKFOOOOKUMD-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001165007545 721694040 /nfs/dbraw/zinc/69/40/40/721694040.db2.gz FATIKFOOOOKUMD-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053673393 531769873 /nfs/dbraw/zinc/76/98/73/531769873.db2.gz YOGHMQPLJSYJSF-UHFFFAOYSA-N 1 2 381.479 2.301 20 5 GEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053673393 531769882 /nfs/dbraw/zinc/76/98/82/531769882.db2.gz YOGHMQPLJSYJSF-UHFFFAOYSA-N 1 2 381.479 2.301 20 5 GEBDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182335158 532311917 /nfs/dbraw/zinc/31/19/17/532311917.db2.gz VWSFCCNFOYTPCM-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c(Br)ccc(F)c3C2)c1 ZINC000186191369 532340172 /nfs/dbraw/zinc/34/01/72/532340172.db2.gz ARTIDVHYGGAFOJ-NSHDSACASA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c(Br)ccc(F)c3C2)c1 ZINC000186191369 532340173 /nfs/dbraw/zinc/34/01/73/532340173.db2.gz ARTIDVHYGGAFOJ-NSHDSACASA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000557358598 532363195 /nfs/dbraw/zinc/36/31/95/532363195.db2.gz QTBOOYRPVAFKAD-UHFFFAOYSA-N 1 2 379.225 2.467 20 5 GEBDLO Cn1cc[nH+]c1CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425404930 532385805 /nfs/dbraw/zinc/38/58/05/532385805.db2.gz MOHOIPPWJFMBAV-UHFFFAOYSA-N 1 2 394.273 2.409 20 5 GEBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H](C)[NH+]1CCOCC1 ZINC000192347009 532403264 /nfs/dbraw/zinc/40/32/64/532403264.db2.gz DKZRYGZDJWLFBF-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000591327408 532407487 /nfs/dbraw/zinc/40/74/87/532407487.db2.gz SVWZAUWCYCIMQH-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000591327408 532407494 /nfs/dbraw/zinc/40/74/94/532407494.db2.gz SVWZAUWCYCIMQH-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO Cc1c(Cl)cc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000295197887 532417464 /nfs/dbraw/zinc/41/74/64/532417464.db2.gz MMMWCXFZPASTCD-UHFFFAOYSA-N 1 2 387.849 2.116 20 5 GEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431922420 532524250 /nfs/dbraw/zinc/52/42/50/532524250.db2.gz DWDVXPWFMPBYHM-UHFFFAOYSA-N 1 2 394.229 2.038 20 5 GEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000374954998 532525064 /nfs/dbraw/zinc/52/50/64/532525064.db2.gz XEYLDRWFZWSBIO-ZDUSSCGKSA-N 1 2 385.873 2.273 20 5 GEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610902079 532719545 /nfs/dbraw/zinc/71/95/45/532719545.db2.gz BPUKORQGHKJWJY-OAHLLOKOSA-N 1 2 398.257 2.294 20 5 GEBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000289768917 532864423 /nfs/dbraw/zinc/86/44/23/532864423.db2.gz KEYLYJRWGLRNPK-SNVBAGLBSA-N 1 2 376.194 2.404 20 5 GEBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000289768917 532864426 /nfs/dbraw/zinc/86/44/26/532864426.db2.gz KEYLYJRWGLRNPK-SNVBAGLBSA-N 1 2 376.194 2.404 20 5 GEBDLO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826500272 608511700 /nfs/dbraw/zinc/51/17/00/608511700.db2.gz REDMHYNMSFNQGH-HYXAFXHYSA-N 1 2 392.423 2.005 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000507950912 650470383 /nfs/dbraw/zinc/47/03/83/650470383.db2.gz LRZITFPGQFYPGC-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000507950912 650470386 /nfs/dbraw/zinc/47/03/86/650470386.db2.gz LRZITFPGQFYPGC-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@H+](CCNc2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000522275534 650624640 /nfs/dbraw/zinc/62/46/40/650624640.db2.gz JMPILESEXNJBFQ-JTQLQIEISA-N 1 2 391.209 2.332 20 5 GEBDLO C[C@H]1C[N@@H+](CCNc2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000522275534 650624642 /nfs/dbraw/zinc/62/46/42/650624642.db2.gz JMPILESEXNJBFQ-JTQLQIEISA-N 1 2 391.209 2.332 20 5 GEBDLO COc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000125894532 643715358 /nfs/dbraw/zinc/71/53/58/643715358.db2.gz SVXPBUIBVYMKSV-UXMMLNGASA-N 1 2 380.413 2.446 20 5 GEBDLO COc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000125894532 643715378 /nfs/dbraw/zinc/71/53/78/643715378.db2.gz SVXPBUIBVYMKSV-UXMMLNGASA-N 1 2 380.413 2.446 20 5 GEBDLO CN(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)S(C)(=O)=O ZINC000285629759 646859675 /nfs/dbraw/zinc/85/96/75/646859675.db2.gz NSXNXZKPFGZNOZ-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)S(C)(=O)=O ZINC000285629759 646859677 /nfs/dbraw/zinc/85/96/77/646859677.db2.gz NSXNXZKPFGZNOZ-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453515 648129638 /nfs/dbraw/zinc/12/96/38/648129638.db2.gz QXGKREXUTHYSGR-NXEZZACHSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453515 648129641 /nfs/dbraw/zinc/12/96/41/648129641.db2.gz QXGKREXUTHYSGR-NXEZZACHSA-N 1 2 381.376 2.327 20 5 GEBDLO CN1C(=O)NCC12CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425545162 648684484 /nfs/dbraw/zinc/68/44/84/648684484.db2.gz RMJLSQYRWNVULB-UHFFFAOYSA-N 1 2 383.246 2.347 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)[N@H+]1C ZINC000549537410 651098547 /nfs/dbraw/zinc/09/85/47/651098547.db2.gz BTXAUQHWOLZLSO-AOOOYVTPSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000549537410 651098548 /nfs/dbraw/zinc/09/85/48/651098548.db2.gz BTXAUQHWOLZLSO-AOOOYVTPSA-N 1 2 381.376 2.327 20 5 GEBDLO CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000733190866 651693200 /nfs/dbraw/zinc/69/32/00/651693200.db2.gz KHRWQSHIWPKEHM-NSHDSACASA-N 1 2 375.397 2.264 20 5 GEBDLO CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000733190866 651693206 /nfs/dbraw/zinc/69/32/06/651693206.db2.gz KHRWQSHIWPKEHM-NSHDSACASA-N 1 2 375.397 2.264 20 5 GEBDLO Cc1nsc(C)c1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583212515 652477380 /nfs/dbraw/zinc/47/73/80/652477380.db2.gz QIJUVRZULJCURB-UHFFFAOYSA-N 1 2 384.483 2.078 20 5 GEBDLO Cc1nsc(C)c1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583212515 652477383 /nfs/dbraw/zinc/47/73/83/652477383.db2.gz QIJUVRZULJCURB-UHFFFAOYSA-N 1 2 384.483 2.078 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767561513 652933180 /nfs/dbraw/zinc/93/31/80/652933180.db2.gz DAGMMHZTBGYLEX-OKILXGFUSA-N 1 2 399.241 2.306 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767561513 652933185 /nfs/dbraw/zinc/93/31/85/652933185.db2.gz DAGMMHZTBGYLEX-OKILXGFUSA-N 1 2 399.241 2.306 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H](C)C[N@@H+]1C ZINC000768560846 653117534 /nfs/dbraw/zinc/11/75/34/653117534.db2.gz GHNXHXLWXFUTSX-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H](C)C[N@H+]1C ZINC000768560846 653117539 /nfs/dbraw/zinc/11/75/39/653117539.db2.gz GHNXHXLWXFUTSX-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000772058402 653138674 /nfs/dbraw/zinc/13/86/74/653138674.db2.gz GCFMJKWGPCYTFN-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000772058402 653138679 /nfs/dbraw/zinc/13/86/79/653138679.db2.gz GCFMJKWGPCYTFN-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCSC1 ZINC000772063244 653138710 /nfs/dbraw/zinc/13/87/10/653138710.db2.gz UBMHHOHJXRBMTG-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCSC1 ZINC000772063244 653138715 /nfs/dbraw/zinc/13/87/15/653138715.db2.gz UBMHHOHJXRBMTG-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000772063700 653138790 /nfs/dbraw/zinc/13/87/90/653138790.db2.gz UXUIHLSRHSKBGM-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000772063700 653138793 /nfs/dbraw/zinc/13/87/93/653138793.db2.gz UXUIHLSRHSKBGM-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO O=C1NCCN1C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000772596920 653155613 /nfs/dbraw/zinc/15/56/13/653155613.db2.gz CFMBSQLOKXBWNK-UHFFFAOYSA-N 1 2 383.246 2.347 20 5 GEBDLO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000774701402 653250134 /nfs/dbraw/zinc/25/01/34/653250134.db2.gz RGNLUUHMXZZOSD-NSHDSACASA-N 1 2 386.246 2.431 20 5 GEBDLO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000774701402 653250139 /nfs/dbraw/zinc/25/01/39/653250139.db2.gz RGNLUUHMXZZOSD-NSHDSACASA-N 1 2 386.246 2.431 20 5 GEBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+](CCO)CCN1CCOCC1 ZINC000809952368 653314654 /nfs/dbraw/zinc/31/46/54/653314654.db2.gz UGFWQPGWSNUGBR-UHFFFAOYSA-N 1 2 378.256 2.028 20 5 GEBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000809952368 653314664 /nfs/dbraw/zinc/31/46/64/653314664.db2.gz UGFWQPGWSNUGBR-UHFFFAOYSA-N 1 2 378.256 2.028 20 5 GEBDLO CN(CC(=O)N1CCn2c[nH+]cc2C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000811933956 653413095 /nfs/dbraw/zinc/41/30/95/653413095.db2.gz MSSZMSKDPLEHHV-UHFFFAOYSA-N 1 2 394.229 2.032 20 5 GEBDLO Cn1c[nH+]c(CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000840326189 653682680 /nfs/dbraw/zinc/68/26/80/653682680.db2.gz BCDVCCFWYVRMTA-UHFFFAOYSA-N 1 2 378.332 2.276 20 5 GEBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884012 653975154 /nfs/dbraw/zinc/97/51/54/653975154.db2.gz XLJAHFNULPKPQF-QPUJVOFHSA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795884012 653975158 /nfs/dbraw/zinc/97/51/58/653975158.db2.gz XLJAHFNULPKPQF-QPUJVOFHSA-N 1 2 377.825 2.148 20 5 GEBDLO C[S@](=O)CC[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000827668160 654002646 /nfs/dbraw/zinc/00/26/46/654002646.db2.gz QGXZTCHGDIGFNR-VWLOTQADSA-N 1 2 380.495 2.219 20 5 GEBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](CCn3cnc(Br)n3)CC2)cc1 ZINC000851789975 654178007 /nfs/dbraw/zinc/17/80/07/654178007.db2.gz GESIFEZNVRGXGX-UHFFFAOYSA-N 1 2 396.245 2.492 20 5 GEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000928641991 654653815 /nfs/dbraw/zinc/65/38/15/654653815.db2.gz UGPQJHPAZLSFCY-NSHDSACASA-N 1 2 386.246 2.198 20 5 GEBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000931674328 654753014 /nfs/dbraw/zinc/75/30/14/654753014.db2.gz CLBGGAGHHXARSD-LBPRGKRZSA-N 1 2 375.219 2.225 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001165008632 721710388 /nfs/dbraw/zinc/71/03/88/721710388.db2.gz JKSUHXLMYGVFBX-UHFFFAOYSA-N 1 2 384.444 2.313 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001165008632 721710398 /nfs/dbraw/zinc/71/03/98/721710398.db2.gz JKSUHXLMYGVFBX-UHFFFAOYSA-N 1 2 384.444 2.313 20 5 GEBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000031941389 531647398 /nfs/dbraw/zinc/64/73/98/531647398.db2.gz VOAIREAULSCQND-MRXNPFEDSA-N 1 2 385.873 2.186 20 5 GEBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053673381 531769187 /nfs/dbraw/zinc/76/91/87/531769187.db2.gz GRUSENHJFCGJTJ-UHFFFAOYSA-N 1 2 385.442 2.132 20 5 GEBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053673381 531769195 /nfs/dbraw/zinc/76/91/95/531769195.db2.gz GRUSENHJFCGJTJ-UHFFFAOYSA-N 1 2 385.442 2.132 20 5 GEBDLO CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000121983651 532055513 /nfs/dbraw/zinc/05/55/13/532055513.db2.gz VDJOZIDIEBUMPH-UHFFFAOYSA-N 1 2 386.246 2.152 20 5 GEBDLO Cc1sc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000123029307 532090674 /nfs/dbraw/zinc/09/06/74/532090674.db2.gz MONPYJFCSZYZIW-UHFFFAOYSA-N 1 2 381.479 2.301 20 5 GEBDLO Cc1sc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000123029307 532090677 /nfs/dbraw/zinc/09/06/77/532090677.db2.gz MONPYJFCSZYZIW-UHFFFAOYSA-N 1 2 381.479 2.301 20 5 GEBDLO CC1(C)C[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000178503980 532203990 /nfs/dbraw/zinc/20/39/90/532203990.db2.gz PWBMVAKWTUVWII-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000178503980 532203999 /nfs/dbraw/zinc/20/39/99/532203999.db2.gz PWBMVAKWTUVWII-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO C[C@@H]1C[NH+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000179605051 532238065 /nfs/dbraw/zinc/23/80/65/532238065.db2.gz OTVSFLFBIXMDQT-VXGBXAGGSA-N 1 2 391.515 2.361 20 5 GEBDLO CCN(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)S(C)(=O)=O ZINC000182335284 532312057 /nfs/dbraw/zinc/31/20/57/532312057.db2.gz GRQHLNKPRZTIJZ-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000184825345 532334802 /nfs/dbraw/zinc/33/48/02/532334802.db2.gz PUWQKYGQHKCROC-GFCCVEGCSA-N 1 2 398.257 2.294 20 5 GEBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000295562947 532459339 /nfs/dbraw/zinc/45/93/39/532459339.db2.gz UCNGJSMALIBIJS-UHFFFAOYSA-N 1 2 389.231 2.052 20 5 GEBDLO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000433000697 532553884 /nfs/dbraw/zinc/55/38/84/532553884.db2.gz GDQQVOSIRPKDNJ-JTQLQIEISA-N 1 2 394.229 2.461 20 5 GEBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000248886714 532556655 /nfs/dbraw/zinc/55/66/55/532556655.db2.gz SEKQRQMTLVDORG-GXTWGEPZSA-N 1 2 381.479 2.455 20 5 GEBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000248886714 532556660 /nfs/dbraw/zinc/55/66/60/532556660.db2.gz SEKQRQMTLVDORG-GXTWGEPZSA-N 1 2 381.479 2.455 20 5 GEBDLO CC1(C)C[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000599246411 532656413 /nfs/dbraw/zinc/65/64/13/532656413.db2.gz DSJWZIUCFHCLMR-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)C[N@@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCO1 ZINC000599246411 532656418 /nfs/dbraw/zinc/65/64/18/532656418.db2.gz DSJWZIUCFHCLMR-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286099828 532728467 /nfs/dbraw/zinc/72/84/67/532728467.db2.gz URZOFOCFPUTZHC-NSHDSACASA-N 1 2 377.413 2.167 20 5 GEBDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286099828 532728475 /nfs/dbraw/zinc/72/84/75/532728475.db2.gz URZOFOCFPUTZHC-NSHDSACASA-N 1 2 377.413 2.167 20 5 GEBDLO C[C@H](CNc1ccc(I)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301083278 532740854 /nfs/dbraw/zinc/74/08/54/532740854.db2.gz GZHROAMOLHVFIT-SNVBAGLBSA-N 1 2 391.209 2.332 20 5 GEBDLO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445183879 532752418 /nfs/dbraw/zinc/75/24/18/532752418.db2.gz OOYWFDZCINGVTH-UHFFFAOYSA-N 1 2 392.169 2.036 20 5 GEBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416375183 532873098 /nfs/dbraw/zinc/87/30/98/532873098.db2.gz RGUOXMVWSIGWDG-SECBINFHSA-N 1 2 378.332 2.177 20 5 GEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000290976117 532894338 /nfs/dbraw/zinc/89/43/38/532894338.db2.gz RGEAPPXBOXBQBM-BXUZGUMPSA-N 1 2 398.257 2.293 20 5 GEBDLO COc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000737091263 598251966 /nfs/dbraw/zinc/25/19/66/598251966.db2.gz RWFLHNXAQBDMDA-UHFFFAOYSA-N 1 2 395.423 2.106 20 5 GEBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000824771518 608409876 /nfs/dbraw/zinc/40/98/76/608409876.db2.gz QRKUPYQPAPHOSL-LBPRGKRZSA-N 1 2 398.402 2.192 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159327218 644186907 /nfs/dbraw/zinc/18/69/07/644186907.db2.gz KEDCTXIFWYMRQM-LBPRGKRZSA-N 1 2 382.829 2.200 20 5 GEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000408084118 647923480 /nfs/dbraw/zinc/92/34/80/647923480.db2.gz MVFXBEYLGXFVTE-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000408084118 647923486 /nfs/dbraw/zinc/92/34/86/647923486.db2.gz MVFXBEYLGXFVTE-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000408085052 647924075 /nfs/dbraw/zinc/92/40/75/647924075.db2.gz WFPIMZDYDOFDBA-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000408085052 647924079 /nfs/dbraw/zinc/92/40/79/647924079.db2.gz WFPIMZDYDOFDBA-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[C@@H](Nc2c(I)cncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000418890638 648321768 /nfs/dbraw/zinc/32/17/68/648321768.db2.gz WLFYDJRRXKPKJI-DTWKUNHWSA-N 1 2 388.209 2.053 20 5 GEBDLO C[C@H]1C[C@@H](Nc2c(I)cncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000418890638 648321772 /nfs/dbraw/zinc/32/17/72/648321772.db2.gz WLFYDJRRXKPKJI-DTWKUNHWSA-N 1 2 388.209 2.053 20 5 GEBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3c[nH]nc3[N+](=O)[O-])[nH+]c12 ZINC000555287446 651221957 /nfs/dbraw/zinc/22/19/57/651221957.db2.gz HYMFKZTWZUUGBH-UHFFFAOYSA-N 1 2 393.201 2.009 20 5 GEBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000609150112 651611218 /nfs/dbraw/zinc/61/12/18/651611218.db2.gz NQRFCWIPERAGFT-JTQLQIEISA-N 1 2 391.209 2.332 20 5 GEBDLO C[C@H]1COCC[N@H+]1CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000609150112 651611219 /nfs/dbraw/zinc/61/12/19/651611219.db2.gz NQRFCWIPERAGFT-JTQLQIEISA-N 1 2 391.209 2.332 20 5 GEBDLO CC[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000573142498 651937063 /nfs/dbraw/zinc/93/70/63/651937063.db2.gz YMCATNZGDBQEAD-ZWNOBZJWSA-N 1 2 376.194 2.402 20 5 GEBDLO CC[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1O ZINC000573142498 651937068 /nfs/dbraw/zinc/93/70/68/651937068.db2.gz YMCATNZGDBQEAD-ZWNOBZJWSA-N 1 2 376.194 2.402 20 5 GEBDLO CC[N@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC(F)(F)F ZINC000755168316 652459548 /nfs/dbraw/zinc/45/95/48/652459548.db2.gz HIBHNXWFWSTXGU-UHFFFAOYSA-N 1 2 387.355 2.287 20 5 GEBDLO CC[N@@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC(F)(F)F ZINC000755168316 652459554 /nfs/dbraw/zinc/45/95/54/652459554.db2.gz HIBHNXWFWSTXGU-UHFFFAOYSA-N 1 2 387.355 2.287 20 5 GEBDLO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768858486 653132699 /nfs/dbraw/zinc/13/26/99/653132699.db2.gz PAYRVUWAAVONSS-UHFFFAOYSA-N 1 2 382.467 2.209 20 5 GEBDLO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468713 653158395 /nfs/dbraw/zinc/15/83/95/653158395.db2.gz MWLKWVKGSICZNJ-NSHDSACASA-N 1 2 377.260 2.224 20 5 GEBDLO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468713 653158397 /nfs/dbraw/zinc/15/83/97/653158397.db2.gz MWLKWVKGSICZNJ-NSHDSACASA-N 1 2 377.260 2.224 20 5 GEBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602597072 653193312 /nfs/dbraw/zinc/19/33/12/653193312.db2.gz UBWGPSZLLYLLAN-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602597072 653193316 /nfs/dbraw/zinc/19/33/16/653193316.db2.gz UBWGPSZLLYLLAN-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825239 653302973 /nfs/dbraw/zinc/30/29/73/653302973.db2.gz CEIIVWPVRWWAHV-PELKAZGASA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825239 653302977 /nfs/dbraw/zinc/30/29/77/653302977.db2.gz CEIIVWPVRWWAHV-PELKAZGASA-N 1 2 377.825 2.148 20 5 GEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000857962155 653344049 /nfs/dbraw/zinc/34/40/49/653344049.db2.gz JONPZYRTMOSGGM-SECBINFHSA-N 1 2 383.177 2.438 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000814993754 653642375 /nfs/dbraw/zinc/64/23/75/653642375.db2.gz HMNGEFSPJRMBNU-UHFFFAOYSA-N 1 2 377.825 2.104 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H](C)[N@H+]1C ZINC000815083584 653650510 /nfs/dbraw/zinc/65/05/10/653650510.db2.gz SDPPADVJALBBNZ-AOOOYVTPSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H](C)[N@@H+]1C ZINC000815083584 653650513 /nfs/dbraw/zinc/65/05/13/653650513.db2.gz SDPPADVJALBBNZ-AOOOYVTPSA-N 1 2 392.275 2.070 20 5 GEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1Br ZINC000839610342 653657505 /nfs/dbraw/zinc/65/75/05/653657505.db2.gz MQXHWVYHVVIBFB-ZDUSSCGKSA-N 1 2 396.245 2.278 20 5 GEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1Br ZINC000839610342 653657509 /nfs/dbraw/zinc/65/75/09/653657509.db2.gz MQXHWVYHVVIBFB-ZDUSSCGKSA-N 1 2 396.245 2.278 20 5 GEBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC12COC2 ZINC000839612105 653657652 /nfs/dbraw/zinc/65/76/52/653657652.db2.gz AZBARQKQFOTRJJ-LBPRGKRZSA-N 1 2 399.241 2.369 20 5 GEBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC12COC2 ZINC000839612105 653657654 /nfs/dbraw/zinc/65/76/54/653657654.db2.gz AZBARQKQFOTRJJ-LBPRGKRZSA-N 1 2 399.241 2.369 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000782294799 653658683 /nfs/dbraw/zinc/65/86/83/653658683.db2.gz ZMQJURNFROJKLJ-LLVKDONJSA-N 1 2 387.230 2.164 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H](C)C1 ZINC000796074880 653984760 /nfs/dbraw/zinc/98/47/60/653984760.db2.gz VPGMGFROBUHPOM-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H](C)C1 ZINC000796074880 653984764 /nfs/dbraw/zinc/98/47/64/653984764.db2.gz VPGMGFROBUHPOM-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000886470633 653988795 /nfs/dbraw/zinc/98/87/95/653988795.db2.gz UZJRUNZYZVPNES-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000886470633 653988799 /nfs/dbraw/zinc/98/87/99/653988799.db2.gz UZJRUNZYZVPNES-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000886470634 653988817 /nfs/dbraw/zinc/98/88/17/653988817.db2.gz UZJRUNZYZVPNES-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000886470634 653988821 /nfs/dbraw/zinc/98/88/21/653988821.db2.gz UZJRUNZYZVPNES-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)[nH]1 ZINC000894773410 654498389 /nfs/dbraw/zinc/49/83/89/654498389.db2.gz GXBWBTGMAWAZPL-ZETCQYMHSA-N 1 2 387.181 2.477 20 5 GEBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000162755186 531849528 /nfs/dbraw/zinc/84/95/28/531849528.db2.gz PRKFECKENNJNEI-UHFFFAOYSA-N 1 2 381.376 2.328 20 5 GEBDLO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000177191083 532164351 /nfs/dbraw/zinc/16/43/51/532164351.db2.gz WDBZKQKRHALPPA-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151156310 532307764 /nfs/dbraw/zinc/30/77/64/532307764.db2.gz PXCPZJLSGMZSFM-GFCCVEGCSA-N 1 2 383.813 2.485 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000372619926 532397968 /nfs/dbraw/zinc/39/79/68/532397968.db2.gz OTTDZUNPHRQJQT-GFCCVEGCSA-N 1 2 391.902 2.060 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3cc(Br)cc(F)c3C2)c1 ZINC000561206037 532432202 /nfs/dbraw/zinc/43/22/02/532432202.db2.gz LUKPXBVMPAMIDZ-CYBMUJFWSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cc(Br)cc(F)c3C2)c1 ZINC000561206037 532432204 /nfs/dbraw/zinc/43/22/04/532432204.db2.gz LUKPXBVMPAMIDZ-CYBMUJFWSA-N 1 2 399.220 2.112 20 5 GEBDLO Cc1c(Br)cc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000470155958 532521952 /nfs/dbraw/zinc/52/19/52/532521952.db2.gz GQPWWKRETYUYGQ-UHFFFAOYSA-N 1 2 398.257 2.260 20 5 GEBDLO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596900191 532607557 /nfs/dbraw/zinc/60/75/57/532607557.db2.gz JHLCSAHYNXYTPU-ZDUSSCGKSA-N 1 2 399.245 2.296 20 5 GEBDLO Cc1c(Br)c(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000436449823 532633120 /nfs/dbraw/zinc/63/31/20/532633120.db2.gz PHOQXHWITBEDLV-SNVBAGLBSA-N 1 2 387.278 2.342 20 5 GEBDLO Cc1c(Br)c(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000436449823 532633126 /nfs/dbraw/zinc/63/31/26/532633126.db2.gz PHOQXHWITBEDLV-SNVBAGLBSA-N 1 2 387.278 2.342 20 5 GEBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598001329 532636796 /nfs/dbraw/zinc/63/67/96/532636796.db2.gz ZECJEVQHYWNRSI-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598001329 532636801 /nfs/dbraw/zinc/63/68/01/532636801.db2.gz ZECJEVQHYWNRSI-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492194319 532713087 /nfs/dbraw/zinc/71/30/87/532713087.db2.gz QWGLQAQUNLSBQS-SECBINFHSA-N 1 2 391.236 2.391 20 5 GEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301335057 532748875 /nfs/dbraw/zinc/74/88/75/532748875.db2.gz FZBNFXGHSHWPAP-LBPRGKRZSA-N 1 2 399.289 2.394 20 5 GEBDLO O=C(C[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000301340695 532749852 /nfs/dbraw/zinc/74/98/52/532749852.db2.gz ILYHZQXCXHOFFV-UHFFFAOYSA-N 1 2 397.273 2.102 20 5 GEBDLO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](O)C[NH+]1CCOCC1 ZINC000289723144 532863809 /nfs/dbraw/zinc/86/38/09/532863809.db2.gz HBQIDIXKHBFFKS-CYBMUJFWSA-N 1 2 378.256 2.027 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000416457578 532878106 /nfs/dbraw/zinc/87/81/06/532878106.db2.gz XSHKEFKQIWCRCY-ZJUUUORDSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000416457578 532878109 /nfs/dbraw/zinc/87/81/09/532878109.db2.gz XSHKEFKQIWCRCY-ZJUUUORDSA-N 1 2 381.376 2.327 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c(Cl)c1 ZINC000364136587 532903816 /nfs/dbraw/zinc/90/38/16/532903816.db2.gz RCFIZJOFXSALIU-GFCCVEGCSA-N 1 2 391.902 2.060 20 5 GEBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000292986747 532920718 /nfs/dbraw/zinc/92/07/18/532920718.db2.gz FSRPYDQGVBMVQV-UHFFFAOYSA-N 1 2 381.376 2.127 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc1Cl ZINC000367668351 532926228 /nfs/dbraw/zinc/92/62/28/532926228.db2.gz HJKRTSKIJMVEEB-UHFFFAOYSA-N 1 2 388.808 2.399 20 5 GEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000293686691 532930365 /nfs/dbraw/zinc/93/03/65/532930365.db2.gz WAEIRRIDHAXHSL-GFCCVEGCSA-N 1 2 381.376 2.079 20 5 GEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000293686691 532930367 /nfs/dbraw/zinc/93/03/67/532930367.db2.gz WAEIRRIDHAXHSL-GFCCVEGCSA-N 1 2 381.376 2.079 20 5 GEBDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000736818841 599251704 /nfs/dbraw/zinc/25/17/04/599251704.db2.gz YGPIKDXQVHIDMF-UHFFFAOYSA-N 1 2 391.395 2.123 20 5 GEBDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000736818841 599251707 /nfs/dbraw/zinc/25/17/07/599251707.db2.gz YGPIKDXQVHIDMF-UHFFFAOYSA-N 1 2 391.395 2.123 20 5 GEBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825829949 607434175 /nfs/dbraw/zinc/43/41/75/607434175.db2.gz LSADXJSIRQGYGO-UHFFFAOYSA-N 1 2 390.363 2.237 20 5 GEBDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920353 606621387 /nfs/dbraw/zinc/62/13/87/606621387.db2.gz PGNRKWWSENEIRI-CVEARBPZSA-N 1 2 381.396 2.042 20 5 GEBDLO O=[N+]([O-])c1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1-c1nn[nH]n1 ZINC000823634842 606645239 /nfs/dbraw/zinc/64/52/39/606645239.db2.gz NGJUOXNOEQXHAT-KRWDZBQOSA-N 1 2 395.423 2.260 20 5 GEBDLO Cc1[nH+]ccn1-c1ncccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826330775 608383195 /nfs/dbraw/zinc/38/31/95/608383195.db2.gz HXXCGSWDMFSIDA-UHFFFAOYSA-N 1 2 377.368 2.276 20 5 GEBDLO CN(C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000511088240 650525731 /nfs/dbraw/zinc/52/57/31/650525731.db2.gz FKTBFXFJVKATJZ-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000511088240 650525732 /nfs/dbraw/zinc/52/57/32/650525732.db2.gz FKTBFXFJVKATJZ-GFCCVEGCSA-N 1 2 375.878 2.352 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000511269539 650531568 /nfs/dbraw/zinc/53/15/68/650531568.db2.gz GFDLNIJVMPNJLA-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000511269539 650531571 /nfs/dbraw/zinc/53/15/71/650531571.db2.gz GFDLNIJVMPNJLA-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000511269537 650531613 /nfs/dbraw/zinc/53/16/13/650531613.db2.gz GFDLNIJVMPNJLA-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000511269537 650531618 /nfs/dbraw/zinc/53/16/18/650531618.db2.gz GFDLNIJVMPNJLA-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000119476025 643554252 /nfs/dbraw/zinc/55/42/52/643554252.db2.gz CKTDVAKEUHSTCH-GFCCVEGCSA-N 1 2 381.479 2.381 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000119476025 643554256 /nfs/dbraw/zinc/55/42/56/643554256.db2.gz CKTDVAKEUHSTCH-GFCCVEGCSA-N 1 2 381.479 2.381 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000367082146 647718734 /nfs/dbraw/zinc/71/87/34/647718734.db2.gz YEWPWEQVLXMFCN-ZDUSSCGKSA-N 1 2 398.257 2.259 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000367082146 647718739 /nfs/dbraw/zinc/71/87/39/647718739.db2.gz YEWPWEQVLXMFCN-ZDUSSCGKSA-N 1 2 398.257 2.259 20 5 GEBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000367558835 647738445 /nfs/dbraw/zinc/73/84/45/647738445.db2.gz GKHVSVWZCWLYBF-VIFPVBQESA-N 1 2 388.808 2.299 20 5 GEBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc([N+](=O)[O-])n[nH]3)[nH+]c12 ZINC000552447874 651149500 /nfs/dbraw/zinc/14/95/00/651149500.db2.gz FJQNGPHDZGGZJE-UHFFFAOYSA-N 1 2 393.201 2.009 20 5 GEBDLO Cn1cc(C[NH+]2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cn1 ZINC000609512420 651621579 /nfs/dbraw/zinc/62/15/79/651621579.db2.gz OXBVKRFSIOZHKW-UHFFFAOYSA-N 1 2 380.246 2.413 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000597997133 652796454 /nfs/dbraw/zinc/79/64/54/652796454.db2.gz MBBWZDWEBDUDDK-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000597997133 652796456 /nfs/dbraw/zinc/79/64/56/652796456.db2.gz MBBWZDWEBDUDDK-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO O=[N+]([O-])c1nn(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1Br ZINC000765128459 652825848 /nfs/dbraw/zinc/82/58/48/652825848.db2.gz UWPFDMYUISNNRU-UHFFFAOYSA-N 1 2 398.236 2.468 20 5 GEBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000599977059 652895226 /nfs/dbraw/zinc/89/52/26/652895226.db2.gz GTYICDOPYGZZQH-LBPRGKRZSA-N 1 2 398.257 2.294 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCSC1 ZINC000772063242 653138560 /nfs/dbraw/zinc/13/85/60/653138560.db2.gz UBMHHOHJXRBMTG-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCSC1 ZINC000772063242 653138563 /nfs/dbraw/zinc/13/85/63/653138563.db2.gz UBMHHOHJXRBMTG-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000772058401 653138619 /nfs/dbraw/zinc/13/86/19/653138619.db2.gz GCFMJKWGPCYTFN-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000772058401 653138624 /nfs/dbraw/zinc/13/86/24/653138624.db2.gz GCFMJKWGPCYTFN-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000770723782 653222749 /nfs/dbraw/zinc/22/27/49/653222749.db2.gz RIJXOZUXYJOJEH-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000770723782 653222750 /nfs/dbraw/zinc/22/27/50/653222750.db2.gz RIJXOZUXYJOJEH-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770721942 653222756 /nfs/dbraw/zinc/22/27/56/653222756.db2.gz CVPBEJKLCMGRCW-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770721942 653222757 /nfs/dbraw/zinc/22/27/57/653222757.db2.gz CVPBEJKLCMGRCW-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857309284 653308559 /nfs/dbraw/zinc/30/85/59/653308559.db2.gz YZPLKVLWMBMABD-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857309284 653308569 /nfs/dbraw/zinc/30/85/69/653308569.db2.gz YZPLKVLWMBMABD-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H](C)CO1 ZINC000857309286 653308850 /nfs/dbraw/zinc/30/88/50/653308850.db2.gz YZPLKVLWMBMABD-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H](C)CO1 ZINC000857309286 653308854 /nfs/dbraw/zinc/30/88/54/653308854.db2.gz YZPLKVLWMBMABD-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989620 653642034 /nfs/dbraw/zinc/64/20/34/653642034.db2.gz QZDPCJOIJHDAPV-JTQLQIEISA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814989620 653642038 /nfs/dbraw/zinc/64/20/38/653642038.db2.gz QZDPCJOIJHDAPV-JTQLQIEISA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000815024106 653645084 /nfs/dbraw/zinc/64/50/84/653645084.db2.gz SCAAJQKCABFUST-RKDXNWHRSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000815024106 653645086 /nfs/dbraw/zinc/64/50/86/653645086.db2.gz SCAAJQKCABFUST-RKDXNWHRSA-N 1 2 377.825 2.291 20 5 GEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839492110 653651880 /nfs/dbraw/zinc/65/18/80/653651880.db2.gz BBTALDQTZNLUPA-LBPRGKRZSA-N 1 2 383.246 2.347 20 5 GEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839492110 653651882 /nfs/dbraw/zinc/65/18/82/653651882.db2.gz BBTALDQTZNLUPA-LBPRGKRZSA-N 1 2 383.246 2.347 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000782294800 653658643 /nfs/dbraw/zinc/65/86/43/653658643.db2.gz ZMQJURNFROJKLJ-NSHDSACASA-N 1 2 387.230 2.164 20 5 GEBDLO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839943081 653670448 /nfs/dbraw/zinc/67/04/48/653670448.db2.gz NTNNNRUXWCCPKR-HUUCEWRRSA-N 1 2 382.258 2.195 20 5 GEBDLO C[NH+](C)CC(C)(C)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000841215829 653710595 /nfs/dbraw/zinc/71/05/95/653710595.db2.gz RJDWXLUXDXGJLP-CHWSQXEVSA-N 1 2 399.289 2.430 20 5 GEBDLO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000822140557 653819324 /nfs/dbraw/zinc/81/93/24/653819324.db2.gz WGPGSLRPSPCDBQ-GFCCVEGCSA-N 1 2 399.245 2.296 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792892581 653854917 /nfs/dbraw/zinc/85/49/17/653854917.db2.gz PUCKGZOQLIXORQ-GFCCVEGCSA-N 1 2 384.274 2.436 20 5 GEBDLO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795805501 653967524 /nfs/dbraw/zinc/96/75/24/653967524.db2.gz HLAOZKSLPCTMHM-UHFFFAOYSA-N 1 2 376.797 2.261 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000795829942 653969274 /nfs/dbraw/zinc/96/92/74/653969274.db2.gz TZVRLCOCUSNAPY-SNVBAGLBSA-N 1 2 377.825 2.150 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000795829942 653969281 /nfs/dbraw/zinc/96/92/81/653969281.db2.gz TZVRLCOCUSNAPY-SNVBAGLBSA-N 1 2 377.825 2.150 20 5 GEBDLO C[S@@](=O)CC[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000827668158 654002631 /nfs/dbraw/zinc/00/26/31/654002631.db2.gz QGXZTCHGDIGFNR-RUZDIDTESA-N 1 2 380.495 2.219 20 5 GEBDLO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798225653 654054925 /nfs/dbraw/zinc/05/49/25/654054925.db2.gz FPGAVPAMAOMJHJ-SNVBAGLBSA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798225653 654054929 /nfs/dbraw/zinc/05/49/29/654054929.db2.gz FPGAVPAMAOMJHJ-SNVBAGLBSA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@@H+]1C1CC1 ZINC000798226770 654055296 /nfs/dbraw/zinc/05/52/96/654055296.db2.gz FISTXAIMMOPHJK-RKDXNWHRSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@H+]1C1CC1 ZINC000798226770 654055299 /nfs/dbraw/zinc/05/52/99/654055299.db2.gz FISTXAIMMOPHJK-RKDXNWHRSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[N@@H+]1C1CC1 ZINC000798227572 654055767 /nfs/dbraw/zinc/05/57/67/654055767.db2.gz TWBSNVRMVUXYLI-BDAKNGLRSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[N@H+]1C1CC1 ZINC000798227572 654055771 /nfs/dbraw/zinc/05/57/71/654055771.db2.gz TWBSNVRMVUXYLI-BDAKNGLRSA-N 1 2 377.825 2.291 20 5 GEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000869102444 654069413 /nfs/dbraw/zinc/06/94/13/654069413.db2.gz YEMSNIZZYRXANN-LLVKDONJSA-N 1 2 379.214 2.228 20 5 GEBDLO CO[C@@H]1CC[C@H]1[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000902637190 654189841 /nfs/dbraw/zinc/18/98/41/654189841.db2.gz GOICYCXHPRMDRS-TZMCWYRMSA-N 1 2 384.230 2.380 20 5 GEBDLO CO[C@@H]1CC[C@H]1[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000902637190 654189848 /nfs/dbraw/zinc/18/98/48/654189848.db2.gz GOICYCXHPRMDRS-TZMCWYRMSA-N 1 2 384.230 2.380 20 5 GEBDLO Cn1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(Br)n1 ZINC000922470024 654395980 /nfs/dbraw/zinc/39/59/80/654395980.db2.gz JQAPUJZEUPJDAK-UHFFFAOYSA-N 1 2 383.202 2.152 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001165008642 721707033 /nfs/dbraw/zinc/70/70/33/721707033.db2.gz KDPDPADCDPPFSU-UHFFFAOYSA-N 1 2 384.444 2.313 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001165008642 721707037 /nfs/dbraw/zinc/70/70/37/721707037.db2.gz KDPDPADCDPPFSU-UHFFFAOYSA-N 1 2 384.444 2.313 20 5 GEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164916452 721813395 /nfs/dbraw/zinc/81/33/95/721813395.db2.gz HRELPURYYDOOFX-UHFFFAOYSA-N 1 2 391.863 2.293 20 5 GEBDLO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165038102 721906222 /nfs/dbraw/zinc/90/62/22/721906222.db2.gz JUBWPHMTXLGTMW-LBPRGKRZSA-N 1 2 376.791 2.489 20 5 GEBDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000055580112 531794262 /nfs/dbraw/zinc/79/42/62/531794262.db2.gz ULHOWWDSXJOAJK-VXGBXAGGSA-N 1 2 391.877 2.026 20 5 GEBDLO O=C(CSc1ccc([N+](=O)[O-])cn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000160156797 531807843 /nfs/dbraw/zinc/80/78/43/531807843.db2.gz BEAJPEPBUJOWDM-UHFFFAOYSA-N 1 2 378.479 2.488 20 5 GEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000122569423 532075268 /nfs/dbraw/zinc/07/52/68/532075268.db2.gz HLXPEFVIGBKSHQ-AWEZNQCLSA-N 1 2 398.257 2.294 20 5 GEBDLO Cc1sc(S(=O)(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000125627479 532139060 /nfs/dbraw/zinc/13/90/60/532139060.db2.gz OPCMYKCRZQZZNS-GFCCVEGCSA-N 1 2 384.483 2.342 20 5 GEBDLO O=c1c(Br)cn(Cc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000132365269 532213976 /nfs/dbraw/zinc/21/39/76/532213976.db2.gz NCFDVFQWMBBNRC-UHFFFAOYSA-N 1 2 376.170 2.148 20 5 GEBDLO CCOCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000192348962 532402731 /nfs/dbraw/zinc/40/27/31/532402731.db2.gz QRRKGNLWUFSJSE-UHFFFAOYSA-N 1 2 386.246 2.152 20 5 GEBDLO Cc1cn2c([nH+]1)CN(c1c(I)cncc1[N+](=O)[O-])CC2 ZINC000591366530 532409946 /nfs/dbraw/zinc/40/99/46/532409946.db2.gz WJACCCDPPABDDP-UHFFFAOYSA-N 1 2 385.165 2.120 20 5 GEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000470457566 532530732 /nfs/dbraw/zinc/53/07/32/532530732.db2.gz FRRRXDWXUVGTMY-AWEZNQCLSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000470457566 532530735 /nfs/dbraw/zinc/53/07/35/532530735.db2.gz FRRRXDWXUVGTMY-AWEZNQCLSA-N 1 2 386.246 2.198 20 5 GEBDLO Cc1sc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000594802746 532531177 /nfs/dbraw/zinc/53/11/77/532531177.db2.gz AUCRAFQRFGZYLB-UHFFFAOYSA-N 1 2 382.467 2.438 20 5 GEBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CCC(CO)CC2)c1 ZINC000290022003 532870498 /nfs/dbraw/zinc/87/04/98/532870498.db2.gz PMPZVRWGFGUDBL-UHFFFAOYSA-N 1 2 376.194 2.404 20 5 GEBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000364355184 532906479 /nfs/dbraw/zinc/90/64/79/532906479.db2.gz CBHYZPIQLFIKNK-INIZCTEOSA-N 1 2 385.873 2.186 20 5 GEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000366821012 532921474 /nfs/dbraw/zinc/92/14/74/532921474.db2.gz PZCBMOZXIIOLMZ-JTQLQIEISA-N 1 2 392.213 2.156 20 5 GEBDLO CSCc1cnc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000293375855 532926088 /nfs/dbraw/zinc/92/60/88/532926088.db2.gz VNZQBRQMTRDKIJ-UHFFFAOYSA-N 1 2 387.508 2.478 20 5 GEBDLO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCOCC2)cc1-c1nn[nH]n1 ZINC000826498870 607451321 /nfs/dbraw/zinc/45/13/21/607451321.db2.gz MRCWKZWDFHEAKV-UHFFFAOYSA-N 1 2 395.423 2.219 20 5 GEBDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920355 606621667 /nfs/dbraw/zinc/62/16/67/606621667.db2.gz PGNRKWWSENEIRI-HOTGVXAUSA-N 1 2 381.396 2.042 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000507969923 650470990 /nfs/dbraw/zinc/47/09/90/650470990.db2.gz MZDYUMDXYBKJTJ-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000507969923 650470991 /nfs/dbraw/zinc/47/09/91/650470991.db2.gz MZDYUMDXYBKJTJ-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO CN(C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000511088241 650525696 /nfs/dbraw/zinc/52/56/96/650525696.db2.gz FKTBFXFJVKATJZ-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO CN(C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000511088241 650525698 /nfs/dbraw/zinc/52/56/98/650525698.db2.gz FKTBFXFJVKATJZ-LBPRGKRZSA-N 1 2 375.878 2.352 20 5 GEBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000066575333 642922494 /nfs/dbraw/zinc/92/24/94/642922494.db2.gz IROCRVAEWSFVQO-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO COCCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000153877050 644010001 /nfs/dbraw/zinc/01/00/01/644010001.db2.gz QFDAQTCJGDEMPI-ZDUSSCGKSA-N 1 2 376.862 2.274 20 5 GEBDLO COCCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000153877050 644010007 /nfs/dbraw/zinc/01/00/07/644010007.db2.gz QFDAQTCJGDEMPI-ZDUSSCGKSA-N 1 2 376.862 2.274 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000159345591 644188154 /nfs/dbraw/zinc/18/81/54/644188154.db2.gz UZRPFHQYTCQOOK-LLVKDONJSA-N 1 2 382.829 2.200 20 5 GEBDLO C[N@@H+]1CC[C@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272157811 646258093 /nfs/dbraw/zinc/25/80/93/646258093.db2.gz FGDOLKZCPKVMFA-IINYFYTJSA-N 1 2 375.397 2.122 20 5 GEBDLO C[N@H+]1CC[C@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272157811 646258098 /nfs/dbraw/zinc/25/80/98/646258098.db2.gz FGDOLKZCPKVMFA-IINYFYTJSA-N 1 2 375.397 2.122 20 5 GEBDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000412026040 648041266 /nfs/dbraw/zinc/04/12/66/648041266.db2.gz IGHBRKHUGGMOKM-RNCFNFMXSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000412026040 648041272 /nfs/dbraw/zinc/04/12/72/648041272.db2.gz IGHBRKHUGGMOKM-RNCFNFMXSA-N 1 2 376.194 2.402 20 5 GEBDLO CS(=O)(=O)NCC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000549674870 651098799 /nfs/dbraw/zinc/09/87/99/651098799.db2.gz RRMLTINLCLRLMO-UHFFFAOYSA-N 1 2 381.376 2.127 20 5 GEBDLO CS(=O)(=O)NCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000549674870 651098800 /nfs/dbraw/zinc/09/88/00/651098800.db2.gz RRMLTINLCLRLMO-UHFFFAOYSA-N 1 2 381.376 2.127 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000603857603 651500189 /nfs/dbraw/zinc/50/01/89/651500189.db2.gz ZRXLNGGLNHLQRY-LLVKDONJSA-N 1 2 395.257 2.460 20 5 GEBDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590162516 652575989 /nfs/dbraw/zinc/57/59/89/652575989.db2.gz YTYZSSDCBKFTQN-UHFFFAOYSA-N 1 2 381.376 2.081 20 5 GEBDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590162516 652575994 /nfs/dbraw/zinc/57/59/94/652575994.db2.gz YTYZSSDCBKFTQN-UHFFFAOYSA-N 1 2 381.376 2.081 20 5 GEBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000594744943 652679646 /nfs/dbraw/zinc/67/96/46/652679646.db2.gz OZSXFOQVDXEBRP-CYBMUJFWSA-N 1 2 382.467 2.167 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]2c2ccc(Br)cc2)c1 ZINC000595844705 652737865 /nfs/dbraw/zinc/73/78/65/652737865.db2.gz KGRKNAQNCZFFBD-CABCVRRESA-N 1 2 381.230 2.362 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]2c2ccc(Br)cc2)c1 ZINC000595844705 652737873 /nfs/dbraw/zinc/73/78/73/652737873.db2.gz KGRKNAQNCZFFBD-CABCVRRESA-N 1 2 381.230 2.362 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000600091833 652903058 /nfs/dbraw/zinc/90/30/58/652903058.db2.gz LLRAMZUHDVMJAY-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000600091833 652903061 /nfs/dbraw/zinc/90/30/61/652903061.db2.gz LLRAMZUHDVMJAY-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000768560765 653117585 /nfs/dbraw/zinc/11/75/85/653117585.db2.gz DWVARDHWSJSXNO-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000768560765 653117587 /nfs/dbraw/zinc/11/75/87/653117587.db2.gz DWVARDHWSJSXNO-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cs1 ZINC000768806180 653127559 /nfs/dbraw/zinc/12/75/59/653127559.db2.gz RTMBPBCAQQJSKI-UHFFFAOYSA-N 1 2 378.435 2.380 20 5 GEBDLO CS(=O)(=O)NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602431973 653180140 /nfs/dbraw/zinc/18/01/40/653180140.db2.gz FMQBXLDVUZAOJX-UHFFFAOYSA-N 1 2 381.376 2.127 20 5 GEBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825240 653303006 /nfs/dbraw/zinc/30/30/06/653303006.db2.gz CEIIVWPVRWWAHV-PRHODGIISA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809825240 653303011 /nfs/dbraw/zinc/30/30/11/653303011.db2.gz CEIIVWPVRWWAHV-PRHODGIISA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000815024105 653645122 /nfs/dbraw/zinc/64/51/22/653645122.db2.gz SCAAJQKCABFUST-IUCAKERBSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000815024105 653645123 /nfs/dbraw/zinc/64/51/23/653645123.db2.gz SCAAJQKCABFUST-IUCAKERBSA-N 1 2 377.825 2.291 20 5 GEBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839492108 653651859 /nfs/dbraw/zinc/65/18/59/653651859.db2.gz BBTALDQTZNLUPA-GFCCVEGCSA-N 1 2 383.246 2.347 20 5 GEBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839492108 653651860 /nfs/dbraw/zinc/65/18/60/653651860.db2.gz BBTALDQTZNLUPA-GFCCVEGCSA-N 1 2 383.246 2.347 20 5 GEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1Br ZINC000839610341 653657472 /nfs/dbraw/zinc/65/74/72/653657472.db2.gz MQXHWVYHVVIBFB-CYBMUJFWSA-N 1 2 396.245 2.278 20 5 GEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1Br ZINC000839610341 653657475 /nfs/dbraw/zinc/65/74/75/653657475.db2.gz MQXHWVYHVVIBFB-CYBMUJFWSA-N 1 2 396.245 2.278 20 5 GEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795904502 653976605 /nfs/dbraw/zinc/97/66/05/653976605.db2.gz RZVKFNAKPXRWMM-ZJUUUORDSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795904502 653976606 /nfs/dbraw/zinc/97/66/06/653976606.db2.gz RZVKFNAKPXRWMM-ZJUUUORDSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000796075249 653984603 /nfs/dbraw/zinc/98/46/03/653984603.db2.gz XUJMHMBWSXVQIN-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000796075249 653984607 /nfs/dbraw/zinc/98/46/07/653984607.db2.gz XUJMHMBWSXVQIN-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000798285266 654057669 /nfs/dbraw/zinc/05/76/69/654057669.db2.gz XAWNIYDESCLQBI-UHFFFAOYSA-N 1 2 380.202 2.495 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000830191237 654104972 /nfs/dbraw/zinc/10/49/72/654104972.db2.gz ZBZAFBSLBHRIDR-MRVPVSSYSA-N 1 2 380.253 2.417 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000830191237 654104976 /nfs/dbraw/zinc/10/49/76/654104976.db2.gz ZBZAFBSLBHRIDR-MRVPVSSYSA-N 1 2 380.253 2.417 20 5 GEBDLO C[C@H]1C[N@H+](CCOC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000800181388 654135322 /nfs/dbraw/zinc/13/53/22/654135322.db2.gz KKUFYUXUYXQDHZ-NSHDSACASA-N 1 2 387.230 2.164 20 5 GEBDLO C[C@H]1C[N@@H+](CCOC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000800181388 654135324 /nfs/dbraw/zinc/13/53/24/654135324.db2.gz KKUFYUXUYXQDHZ-NSHDSACASA-N 1 2 387.230 2.164 20 5 GEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000832523962 654271754 /nfs/dbraw/zinc/27/17/54/654271754.db2.gz JOFNWFYXPNHQKN-JTQLQIEISA-N 1 2 379.841 2.492 20 5 GEBDLO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000930746080 654718582 /nfs/dbraw/zinc/71/85/82/654718582.db2.gz VJJVQBGNXGZFDY-UHFFFAOYSA-N 1 2 380.246 2.398 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001165011197 721698423 /nfs/dbraw/zinc/69/84/23/721698423.db2.gz YXRRPBUCVIUCHX-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001165011197 721698430 /nfs/dbraw/zinc/69/84/30/721698430.db2.gz YXRRPBUCVIUCHX-UHFFFAOYSA-N 1 2 396.455 2.380 20 5 GEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053673407 531770072 /nfs/dbraw/zinc/77/00/72/531770072.db2.gz MGQQESGDCFGHST-UHFFFAOYSA-N 1 2 381.479 2.301 20 5 GEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053673407 531770083 /nfs/dbraw/zinc/77/00/83/531770083.db2.gz MGQQESGDCFGHST-UHFFFAOYSA-N 1 2 381.479 2.301 20 5 GEBDLO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000158243629 531771467 /nfs/dbraw/zinc/77/14/67/531771467.db2.gz DWCKLPXEZJAFAE-UHFFFAOYSA-N 1 2 376.170 2.148 20 5 GEBDLO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000177191097 532164968 /nfs/dbraw/zinc/16/49/68/532164968.db2.gz WDBZKQKRHALPPA-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134668021 532260256 /nfs/dbraw/zinc/26/02/56/532260256.db2.gz QJWZBXHAWNDSJO-INIZCTEOSA-N 1 2 385.873 2.186 20 5 GEBDLO CC[N@@H+]1CCN(c2c(I)cncc2[N+](=O)[O-])C[C@H]1C ZINC000591366999 532410321 /nfs/dbraw/zinc/41/03/21/532410321.db2.gz INFWWWIIXDGMOV-SECBINFHSA-N 1 2 376.198 2.125 20 5 GEBDLO CC[N@H+]1CCN(c2c(I)cncc2[N+](=O)[O-])C[C@H]1C ZINC000591366999 532410326 /nfs/dbraw/zinc/41/03/26/532410326.db2.gz INFWWWIIXDGMOV-SECBINFHSA-N 1 2 376.198 2.125 20 5 GEBDLO COCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCSC1 ZINC000433190261 532556970 /nfs/dbraw/zinc/55/69/70/532556970.db2.gz UJYIBTGQEDGTOS-HNNXBMFYSA-N 1 2 388.511 2.213 20 5 GEBDLO COCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCSC1 ZINC000433190261 532556974 /nfs/dbraw/zinc/55/69/74/532556974.db2.gz UJYIBTGQEDGTOS-HNNXBMFYSA-N 1 2 388.511 2.213 20 5 GEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597708271 532626119 /nfs/dbraw/zinc/62/61/19/532626119.db2.gz WQXBPWVZYWBVLU-AWEZNQCLSA-N 1 2 398.257 2.294 20 5 GEBDLO O=[N+]([O-])c1cncc(Br)c1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000378061966 532679005 /nfs/dbraw/zinc/67/90/05/532679005.db2.gz TWLCZJMHGUOAIC-UHFFFAOYSA-N 1 2 375.186 2.367 20 5 GEBDLO Cn1cc[nH+]c1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000285522260 532687873 /nfs/dbraw/zinc/68/78/73/532687873.db2.gz SYTAYPDAGGOFOV-UHFFFAOYSA-N 1 2 394.229 2.359 20 5 GEBDLO Cc1c(Br)cc(S(=O)(=O)N(C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000569710813 532704959 /nfs/dbraw/zinc/70/49/59/532704959.db2.gz WYVDUPNJGZWMEW-UHFFFAOYSA-N 1 2 389.231 2.210 20 5 GEBDLO Cc1c(Br)cc(S(=O)(=O)N(C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000569710813 532704966 /nfs/dbraw/zinc/70/49/66/532704966.db2.gz WYVDUPNJGZWMEW-UHFFFAOYSA-N 1 2 389.231 2.210 20 5 GEBDLO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000267497870 532742577 /nfs/dbraw/zinc/74/25/77/532742577.db2.gz ZEJXBQUQMVLDBE-XHDPSFHLSA-N 1 2 398.257 2.150 20 5 GEBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301061396 532739381 /nfs/dbraw/zinc/73/93/81/532739381.db2.gz FRDMTFNXDREEJT-GFCCVEGCSA-N 1 2 399.289 2.394 20 5 GEBDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301411642 532751480 /nfs/dbraw/zinc/75/14/80/532751480.db2.gz YPXIPGVTHUSNJL-UHFFFAOYSA-N 1 2 380.246 2.413 20 5 GEBDLO Cc1nc(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)cc[nH+]1 ZINC000273502276 532825257 /nfs/dbraw/zinc/82/52/57/532825257.db2.gz OJUXKYHQPVHSLF-UHFFFAOYSA-N 1 2 379.218 2.177 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C2 ZINC000368022489 532929614 /nfs/dbraw/zinc/92/96/14/532929614.db2.gz QAQJWXIEJDBGMW-LLVKDONJSA-N 1 2 384.845 2.355 20 5 GEBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293902491 532933262 /nfs/dbraw/zinc/93/32/62/532933262.db2.gz WFYGNPJBAITKBR-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293902491 532933263 /nfs/dbraw/zinc/93/32/63/532933263.db2.gz WFYGNPJBAITKBR-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371308556 532947507 /nfs/dbraw/zinc/94/75/07/532947507.db2.gz PRRVLAFTQHOGFI-JTQLQIEISA-N 1 2 379.214 2.297 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371308556 532947508 /nfs/dbraw/zinc/94/75/08/532947508.db2.gz PRRVLAFTQHOGFI-JTQLQIEISA-N 1 2 379.214 2.297 20 5 GEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCN(c2ncccn2)CC1 ZINC000007496061 221000395 /nfs/dbraw/zinc/00/03/95/221000395.db2.gz HEOSSPPCSSLFKG-ZDUSSCGKSA-N 1 2 381.396 2.318 20 5 GEBDLO O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000738165920 598586922 /nfs/dbraw/zinc/58/69/22/598586922.db2.gz HAKHZRJGSHIJFL-UHFFFAOYSA-N 1 2 394.326 2.352 20 5 GEBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000823630076 599380089 /nfs/dbraw/zinc/38/00/89/599380089.db2.gz QQNGCZNGAPJMAC-QGZVFWFLSA-N 1 2 395.423 2.260 20 5 GEBDLO COc1cc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c([N+](=O)[O-])cc1OC ZINC000821717819 599455999 /nfs/dbraw/zinc/45/59/99/599455999.db2.gz ZXTKVVNRZNSOCN-UHFFFAOYSA-N 1 2 388.359 2.221 20 5 GEBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000823630291 607037763 /nfs/dbraw/zinc/03/77/63/607037763.db2.gz WCSZKIOBLDTFIE-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456199500 650333444 /nfs/dbraw/zinc/33/34/44/650333444.db2.gz GZMGKARYGBORAY-BETUJISGSA-N 1 2 398.257 2.259 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456199500 650333446 /nfs/dbraw/zinc/33/34/46/650333446.db2.gz GZMGKARYGBORAY-BETUJISGSA-N 1 2 398.257 2.259 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000507950913 650470301 /nfs/dbraw/zinc/47/03/01/650470301.db2.gz LRZITFPGQFYPGC-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000507950913 650470302 /nfs/dbraw/zinc/47/03/02/650470302.db2.gz LRZITFPGQFYPGC-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000507981715 650471707 /nfs/dbraw/zinc/47/17/07/650471707.db2.gz CQOKRQIYLZDMEJ-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000507981715 650471708 /nfs/dbraw/zinc/47/17/08/650471708.db2.gz CQOKRQIYLZDMEJ-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000507981714 650471761 /nfs/dbraw/zinc/47/17/61/650471761.db2.gz CQOKRQIYLZDMEJ-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000507981714 650471762 /nfs/dbraw/zinc/47/17/62/650471762.db2.gz CQOKRQIYLZDMEJ-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000511255665 650530841 /nfs/dbraw/zinc/53/08/41/650530841.db2.gz AOCXHIYQUXCJNQ-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000511255665 650530844 /nfs/dbraw/zinc/53/08/44/650530844.db2.gz AOCXHIYQUXCJNQ-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000101570073 643108867 /nfs/dbraw/zinc/10/88/67/643108867.db2.gz XQRPYAGIRBGZKZ-TXEJJXNPSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000101570073 643108871 /nfs/dbraw/zinc/10/88/71/643108871.db2.gz XQRPYAGIRBGZKZ-TXEJJXNPSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000192670648 645220108 /nfs/dbraw/zinc/22/01/08/645220108.db2.gz KQTNHNAJXAWJJH-GFCCVEGCSA-N 1 2 381.479 2.381 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000192670648 645220115 /nfs/dbraw/zinc/22/01/15/645220115.db2.gz KQTNHNAJXAWJJH-GFCCVEGCSA-N 1 2 381.479 2.381 20 5 GEBDLO Cn1cc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3Br)CC2)cn1 ZINC000267275358 645894607 /nfs/dbraw/zinc/89/46/07/645894607.db2.gz UBBJNQOKBNJKLJ-UHFFFAOYSA-N 1 2 395.261 2.198 20 5 GEBDLO Cn1cc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])cc3Br)CC2)cn1 ZINC000267275358 645894610 /nfs/dbraw/zinc/89/46/10/645894610.db2.gz UBBJNQOKBNJKLJ-UHFFFAOYSA-N 1 2 395.261 2.198 20 5 GEBDLO COCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000267473980 645905596 /nfs/dbraw/zinc/90/55/96/645905596.db2.gz PQMIYZBSRPJFFH-LLVKDONJSA-N 1 2 386.246 2.150 20 5 GEBDLO COCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000267473980 645905597 /nfs/dbraw/zinc/90/55/97/645905597.db2.gz PQMIYZBSRPJFFH-LLVKDONJSA-N 1 2 386.246 2.150 20 5 GEBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000268509496 645971533 /nfs/dbraw/zinc/97/15/33/645971533.db2.gz WFCHYTVPHRZDOQ-UHFFFAOYSA-N 1 2 378.230 2.470 20 5 GEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408085240 647924141 /nfs/dbraw/zinc/92/41/41/647924141.db2.gz XWVXDNYYBBQMCP-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408085240 647924144 /nfs/dbraw/zinc/92/41/44/647924144.db2.gz XWVXDNYYBBQMCP-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C(C)(C)C1 ZINC000766859521 652901420 /nfs/dbraw/zinc/90/14/20/652901420.db2.gz UFQNGIAKALIOPM-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C(C)(C)C1 ZINC000766859521 652901426 /nfs/dbraw/zinc/90/14/26/652901426.db2.gz UFQNGIAKALIOPM-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602468965 653184493 /nfs/dbraw/zinc/18/44/93/653184493.db2.gz PJABWXZNGTWXNV-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602468965 653184496 /nfs/dbraw/zinc/18/44/96/653184496.db2.gz PJABWXZNGTWXNV-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO O=[N+]([O-])c1sc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000602709730 653201738 /nfs/dbraw/zinc/20/17/38/653201738.db2.gz PSNJWEWROUIUJY-JTQLQIEISA-N 1 2 376.276 2.325 20 5 GEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874704318 653333102 /nfs/dbraw/zinc/33/31/02/653333102.db2.gz HVCAXYLYEZIRKX-LBPRGKRZSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000874704318 653333112 /nfs/dbraw/zinc/33/31/12/653333112.db2.gz HVCAXYLYEZIRKX-LBPRGKRZSA-N 1 2 386.246 2.198 20 5 GEBDLO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814994472 653642378 /nfs/dbraw/zinc/64/23/78/653642378.db2.gz YTCBDUNMQNOIGK-UHFFFAOYSA-N 1 2 376.797 2.261 20 5 GEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815029141 653645916 /nfs/dbraw/zinc/64/59/16/653645916.db2.gz KLZLFMJOPWSHDR-UWVGGRQHSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815029141 653645918 /nfs/dbraw/zinc/64/59/18/653645918.db2.gz KLZLFMJOPWSHDR-UWVGGRQHSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000886470182 653988261 /nfs/dbraw/zinc/98/82/61/653988261.db2.gz CMAQTANUDCQUQU-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000886470182 653988262 /nfs/dbraw/zinc/98/82/62/653988262.db2.gz CMAQTANUDCQUQU-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO C[C@@H]1C[N@H+](CCOC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000800181387 654135273 /nfs/dbraw/zinc/13/52/73/654135273.db2.gz KKUFYUXUYXQDHZ-LLVKDONJSA-N 1 2 387.230 2.164 20 5 GEBDLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000800181387 654135274 /nfs/dbraw/zinc/13/52/74/654135274.db2.gz KKUFYUXUYXQDHZ-LLVKDONJSA-N 1 2 387.230 2.164 20 5 GEBDLO C/C(=C\C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000919103504 654170560 /nfs/dbraw/zinc/17/05/60/654170560.db2.gz IQBKKEYNUXJWFZ-XYOKQWHBSA-N 1 2 398.257 2.252 20 5 GEBDLO CC(C)(C)SCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000801910465 654212320 /nfs/dbraw/zinc/21/23/20/654212320.db2.gz LMTZMHOZOUXNTR-UHFFFAOYSA-N 1 2 387.527 2.433 20 5 GEBDLO Cc1c(Br)c(N2CC[NH+](CCCCCO)CC2)ncc1[N+](=O)[O-] ZINC000894963993 654508220 /nfs/dbraw/zinc/50/82/20/654508220.db2.gz IWCULKZZJGWPHK-UHFFFAOYSA-N 1 2 387.278 2.345 20 5 GEBDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000931674327 654752715 /nfs/dbraw/zinc/75/27/15/654752715.db2.gz CLBGGAGHHXARSD-GFCCVEGCSA-N 1 2 375.219 2.225 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cc(F)c(Br)cc3C2)c1 ZINC000933141175 654803483 /nfs/dbraw/zinc/80/34/83/654803483.db2.gz KKPIGPIYRWKSBD-ZDUSSCGKSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cc(F)c(Br)cc3C2)c1 ZINC000933141175 654803485 /nfs/dbraw/zinc/80/34/85/654803485.db2.gz KKPIGPIYRWKSBD-ZDUSSCGKSA-N 1 2 399.220 2.112 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001165007564 721693896 /nfs/dbraw/zinc/69/38/96/721693896.db2.gz FVECLYJVAFURMW-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001165007564 721693906 /nfs/dbraw/zinc/69/39/06/721693906.db2.gz FVECLYJVAFURMW-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000172018592 531931438 /nfs/dbraw/zinc/93/14/38/531931438.db2.gz MQRXSYZBIUZFAK-UHFFFAOYSA-N 1 2 381.479 2.301 20 5 GEBDLO Cc1cc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000172018592 531931441 /nfs/dbraw/zinc/93/14/41/531931441.db2.gz MQRXSYZBIUZFAK-UHFFFAOYSA-N 1 2 381.479 2.301 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000119486018 531970053 /nfs/dbraw/zinc/97/00/53/531970053.db2.gz KVGPGUQBSBBVPC-UHFFFAOYSA-N 1 2 382.829 2.154 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C2 ZINC000121335939 532023659 /nfs/dbraw/zinc/02/36/59/532023659.db2.gz SNIBSYMEVJQGJE-LLVKDONJSA-N 1 2 384.845 2.355 20 5 GEBDLO Cc1c(Br)cc(C(=O)N(C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000121372504 532026330 /nfs/dbraw/zinc/02/63/30/532026330.db2.gz SPHKOGWDHIFNBZ-UHFFFAOYSA-N 1 2 386.246 2.070 20 5 GEBDLO C[C@H]([C@H](C)NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000177191067 532164749 /nfs/dbraw/zinc/16/47/49/532164749.db2.gz WDBZKQKRHALPPA-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C2 ZINC000129190004 532174441 /nfs/dbraw/zinc/17/44/41/532174441.db2.gz CDPSFWCWZLLSBI-UHFFFAOYSA-N 1 2 384.483 2.479 20 5 GEBDLO CN(C)[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[nH+]cn1C ZINC000563876770 532511658 /nfs/dbraw/zinc/51/16/58/532511658.db2.gz IMWGINCUJQRZBZ-ZDUSSCGKSA-N 1 2 382.218 2.332 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000284517021 532597560 /nfs/dbraw/zinc/59/75/60/532597560.db2.gz BGAJFSQAUASBDI-UHFFFAOYSA-N 1 2 398.257 2.260 20 5 GEBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301061397 532739524 /nfs/dbraw/zinc/73/95/24/532739524.db2.gz FRDMTFNXDREEJT-LBPRGKRZSA-N 1 2 399.289 2.394 20 5 GEBDLO Cn1cc[nH+]c1-c1cccc(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)c1 ZINC000359999509 212132321 /nfs/dbraw/zinc/13/23/21/212132321.db2.gz ZJVRAONBDWDSSU-UHFFFAOYSA-N 1 2 387.421 2.255 20 5 GEBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416378165 532873694 /nfs/dbraw/zinc/87/36/94/532873694.db2.gz RSMGGGDOGZCICR-UHFFFAOYSA-N 1 2 378.332 2.168 20 5 GEBDLO CS[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275835869 532884222 /nfs/dbraw/zinc/88/42/22/532884222.db2.gz PCGQYJZRXJUVEL-NWDGAFQWSA-N 1 2 391.540 2.076 20 5 GEBDLO CS(=O)(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293601981 532929393 /nfs/dbraw/zinc/92/93/93/532929393.db2.gz VDIZUQQASTWWLX-UHFFFAOYSA-N 1 2 381.376 2.081 20 5 GEBDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293601981 532929394 /nfs/dbraw/zinc/92/93/94/532929394.db2.gz VDIZUQQASTWWLX-UHFFFAOYSA-N 1 2 381.376 2.081 20 5 GEBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000371565453 532948596 /nfs/dbraw/zinc/94/85/96/532948596.db2.gz MNMGQIFLBHFTRU-INIZCTEOSA-N 1 2 385.873 2.186 20 5 GEBDLO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[NH+]1CCOCC1 ZINC000032934909 221753952 /nfs/dbraw/zinc/75/39/52/221753952.db2.gz KTYDGWGXFGUGIT-IBGZPJMESA-N 1 2 390.484 2.282 20 5 GEBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C2 ZINC000735652174 598499818 /nfs/dbraw/zinc/49/98/18/598499818.db2.gz DCHBQNIEDGCGQC-SNVBAGLBSA-N 1 2 383.416 2.091 20 5 GEBDLO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)Cn1cc[nH+]c1 ZINC000824426504 608368902 /nfs/dbraw/zinc/36/89/02/608368902.db2.gz GQEAYGVLEFEDBV-NSHDSACASA-N 1 2 379.384 2.268 20 5 GEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)c1 ZINC000826499246 608646202 /nfs/dbraw/zinc/64/62/02/608646202.db2.gz AXJFHKKTAUVSNH-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO O=[N+]([O-])c1ccc2nc(NCCCCn3cc[nH+]c3)cc(-c3nn[nH]n3)c2c1 ZINC000826499559 609428341 /nfs/dbraw/zinc/42/83/41/609428341.db2.gz NKTIZTQKRIMQKA-UHFFFAOYSA-N 1 2 379.384 2.412 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447658731 650007826 /nfs/dbraw/zinc/00/78/26/650007826.db2.gz JKMXQKQRIHDISS-NSHDSACASA-N 1 2 386.246 2.150 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000063187534 642854516 /nfs/dbraw/zinc/85/45/16/642854516.db2.gz OXSHRSJEGSJCOC-UHFFFAOYSA-N 1 2 382.398 2.460 20 5 GEBDLO C[N@H+](CCc1cnccn1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000538942882 650839400 /nfs/dbraw/zinc/83/94/00/650839400.db2.gz ANKDICMZMIPTDH-UHFFFAOYSA-N 1 2 394.229 2.260 20 5 GEBDLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000538942882 650839402 /nfs/dbraw/zinc/83/94/02/650839402.db2.gz ANKDICMZMIPTDH-UHFFFAOYSA-N 1 2 394.229 2.260 20 5 GEBDLO CCN(C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000174854936 644383812 /nfs/dbraw/zinc/38/38/12/644383812.db2.gz ZTVXGMNMIRABSX-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363382476 647593950 /nfs/dbraw/zinc/59/39/50/647593950.db2.gz VZJAQJCLUSMZEJ-UHFFFAOYSA-N 1 2 384.845 2.302 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000367082145 647718833 /nfs/dbraw/zinc/71/88/33/647718833.db2.gz YEWPWEQVLXMFCN-CYBMUJFWSA-N 1 2 398.257 2.259 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000367082145 647718836 /nfs/dbraw/zinc/71/88/36/647718836.db2.gz YEWPWEQVLXMFCN-CYBMUJFWSA-N 1 2 398.257 2.259 20 5 GEBDLO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425422891 648675978 /nfs/dbraw/zinc/67/59/78/648675978.db2.gz PXCWSRFGOWGAPY-AWEZNQCLSA-N 1 2 387.230 2.103 20 5 GEBDLO O=C(NCc1n[nH]cc1Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609155877 651611120 /nfs/dbraw/zinc/61/11/20/651611120.db2.gz NAZREHWPEAMBPX-UHFFFAOYSA-N 1 2 391.185 2.196 20 5 GEBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610571737 651671572 /nfs/dbraw/zinc/67/15/72/651671572.db2.gz DGWNLIQLBJOQEQ-CYBMUJFWSA-N 1 2 398.257 2.294 20 5 GEBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755030156 652455677 /nfs/dbraw/zinc/45/56/77/652455677.db2.gz OBHLWTDBWILDJD-JTQLQIEISA-N 1 2 387.234 2.200 20 5 GEBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755030156 652455681 /nfs/dbraw/zinc/45/56/81/652455681.db2.gz OBHLWTDBWILDJD-JTQLQIEISA-N 1 2 387.234 2.200 20 5 GEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598949120 652842325 /nfs/dbraw/zinc/84/23/25/652842325.db2.gz UAJMFMUVCWOQIW-LLVKDONJSA-N 1 2 379.214 2.228 20 5 GEBDLO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000599349249 652863119 /nfs/dbraw/zinc/86/31/19/652863119.db2.gz NSRFEJSWWXPWPW-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000774701397 653250085 /nfs/dbraw/zinc/25/00/85/653250085.db2.gz RGNLUUHMXZZOSD-LLVKDONJSA-N 1 2 386.246 2.431 20 5 GEBDLO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000774701397 653250087 /nfs/dbraw/zinc/25/00/87/653250087.db2.gz RGNLUUHMXZZOSD-LLVKDONJSA-N 1 2 386.246 2.431 20 5 GEBDLO CC1=CC[N@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809830855 653305437 /nfs/dbraw/zinc/30/54/37/653305437.db2.gz GPULATJATCMNSV-UHFFFAOYSA-N 1 2 377.825 2.318 20 5 GEBDLO CC1=CC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809830855 653305447 /nfs/dbraw/zinc/30/54/47/653305447.db2.gz GPULATJATCMNSV-UHFFFAOYSA-N 1 2 377.825 2.318 20 5 GEBDLO Cc1cc(N2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814854487 653640603 /nfs/dbraw/zinc/64/06/03/653640603.db2.gz YUQTUTWPMNNTMS-VWLOTQADSA-N 1 2 379.404 2.423 20 5 GEBDLO C[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000881864267 653744526 /nfs/dbraw/zinc/74/45/26/653744526.db2.gz MLXBMGLQKBQCON-SNVBAGLBSA-N 1 2 388.287 2.411 20 5 GEBDLO CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000844509477 653807621 /nfs/dbraw/zinc/80/76/21/653807621.db2.gz WOAMALXISRCDTB-CHWSQXEVSA-N 1 2 385.262 2.184 20 5 GEBDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC12COC2 ZINC000824489539 653897262 /nfs/dbraw/zinc/89/72/62/653897262.db2.gz MDEZDQXBYPYIIP-GFCCVEGCSA-N 1 2 399.241 2.369 20 5 GEBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC12COC2 ZINC000824489539 653897265 /nfs/dbraw/zinc/89/72/65/653897265.db2.gz MDEZDQXBYPYIIP-GFCCVEGCSA-N 1 2 399.241 2.369 20 5 GEBDLO CC1CC[NH+](CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000798225683 654055077 /nfs/dbraw/zinc/05/50/77/654055077.db2.gz HBAKSDPKHPWTQD-UHFFFAOYSA-N 1 2 379.841 2.398 20 5 GEBDLO COc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000853308297 654291620 /nfs/dbraw/zinc/29/16/20/654291620.db2.gz DIRYAAWTYJRSGE-UHFFFAOYSA-N 1 2 391.877 2.178 20 5 GEBDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000909436287 654664594 /nfs/dbraw/zinc/66/45/94/654664594.db2.gz JQLLEEXUOOACQB-MRVPVSSYSA-N 1 2 380.203 2.179 20 5 GEBDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000909436287 654664598 /nfs/dbraw/zinc/66/45/98/654664598.db2.gz JQLLEEXUOOACQB-MRVPVSSYSA-N 1 2 380.203 2.179 20 5 GEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929648734 654689389 /nfs/dbraw/zinc/68/93/89/654689389.db2.gz GVYRLKMJKXKINT-ZDUSSCGKSA-N 1 2 383.246 2.347 20 5 GEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929648734 654689392 /nfs/dbraw/zinc/68/93/92/654689392.db2.gz GVYRLKMJKXKINT-ZDUSSCGKSA-N 1 2 383.246 2.347 20 5 GEBDLO O=C1N=NCN1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930285486 654704332 /nfs/dbraw/zinc/70/43/32/654704332.db2.gz UPKDTFQJMDLFHD-UHFFFAOYSA-N 1 2 382.218 2.492 20 5 GEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001164918408 721813433 /nfs/dbraw/zinc/81/34/33/721813433.db2.gz WNHBKUJSDYJEBK-UHFFFAOYSA-N 1 2 393.451 2.484 20 5 GEBDLO O=[N+]([O-])c1ccc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)nc1Cl ZINC001165039818 721904682 /nfs/dbraw/zinc/90/46/82/721904682.db2.gz VLTLNAGTWCVOAW-LLVKDONJSA-N 1 2 376.791 2.489 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159382054 531780314 /nfs/dbraw/zinc/78/03/14/531780314.db2.gz MZZOXFPAGBWHNB-NSHDSACASA-N 1 2 382.829 2.200 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056042809 531801993 /nfs/dbraw/zinc/80/19/93/531801993.db2.gz SDXPMXBUSNCXQP-SDDRHHMPSA-N 1 2 391.877 2.024 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056042809 531801999 /nfs/dbraw/zinc/80/19/99/531801999.db2.gz SDXPMXBUSNCXQP-SDDRHHMPSA-N 1 2 391.877 2.024 20 5 GEBDLO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000120856186 531998676 /nfs/dbraw/zinc/99/86/76/531998676.db2.gz QJWKLBYLCGICIO-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000178678595 532209391 /nfs/dbraw/zinc/20/93/91/532209391.db2.gz FFLMZCZYIDONFA-UHFFFAOYSA-N 1 2 381.376 2.081 20 5 GEBDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000178678595 532209399 /nfs/dbraw/zinc/20/93/99/532209399.db2.gz FFLMZCZYIDONFA-UHFFFAOYSA-N 1 2 381.376 2.081 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000372619927 532398873 /nfs/dbraw/zinc/39/88/73/532398873.db2.gz OTTDZUNPHRQJQT-LBPRGKRZSA-N 1 2 391.902 2.060 20 5 GEBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000295429598 532444940 /nfs/dbraw/zinc/44/49/40/532444940.db2.gz JCZJIYLWWLMLED-UHFFFAOYSA-N 1 2 378.332 2.309 20 5 GEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000428064929 532441986 /nfs/dbraw/zinc/44/19/86/532441986.db2.gz BBYUWTIMAPVFSN-GFCCVEGCSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000428064929 532441997 /nfs/dbraw/zinc/44/19/97/532441997.db2.gz BBYUWTIMAPVFSN-GFCCVEGCSA-N 1 2 386.246 2.198 20 5 GEBDLO CO[C@@H](C)c1nc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000562990420 532492953 /nfs/dbraw/zinc/49/29/53/532492953.db2.gz XZLQUFDZUGWAAO-NSHDSACASA-N 1 2 385.467 2.322 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471924 532509615 /nfs/dbraw/zinc/50/96/15/532509615.db2.gz SDXPMXBUSNCXQP-UTUOFQBUSA-N 1 2 391.877 2.024 20 5 GEBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471924 532509625 /nfs/dbraw/zinc/50/96/25/532509625.db2.gz SDXPMXBUSNCXQP-UTUOFQBUSA-N 1 2 391.877 2.024 20 5 GEBDLO C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595382461 532562815 /nfs/dbraw/zinc/56/28/15/532562815.db2.gz ITWKGSLISQRHKY-QMMMGPOBSA-N 1 2 389.231 2.130 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284272220 532583022 /nfs/dbraw/zinc/58/30/22/532583022.db2.gz YGSUZESZUAUANM-GJZGRUSLSA-N 1 2 398.257 2.211 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284272220 532583029 /nfs/dbraw/zinc/58/30/29/532583029.db2.gz YGSUZESZUAUANM-GJZGRUSLSA-N 1 2 398.257 2.211 20 5 GEBDLO Cc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473511589 532593139 /nfs/dbraw/zinc/59/31/39/532593139.db2.gz ICWJLHJBCHRPHH-UHFFFAOYSA-N 1 2 399.289 2.266 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000481027281 532665044 /nfs/dbraw/zinc/66/50/44/532665044.db2.gz VMBTYLVBABPOHH-UHFFFAOYSA-N 1 2 379.360 2.154 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000481027281 532665053 /nfs/dbraw/zinc/66/50/53/532665053.db2.gz VMBTYLVBABPOHH-UHFFFAOYSA-N 1 2 379.360 2.154 20 5 GEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285687629 532697781 /nfs/dbraw/zinc/69/77/81/532697781.db2.gz GTGJFUJGCDZJDK-ABAIWWIYSA-N 1 2 398.257 2.293 20 5 GEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000285687633 532698526 /nfs/dbraw/zinc/69/85/26/532698526.db2.gz GTGJFUJGCDZJDK-NHYWBVRUSA-N 1 2 398.257 2.293 20 5 GEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285995712 532724774 /nfs/dbraw/zinc/72/47/74/532724774.db2.gz YBAJLCQSMSAYSA-WCQYABFASA-N 1 2 398.257 2.293 20 5 GEBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301184927 532743391 /nfs/dbraw/zinc/74/33/91/532743391.db2.gz OVHVBXLTDDBIQY-UHFFFAOYSA-N 1 2 386.246 2.433 20 5 GEBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301184927 532743397 /nfs/dbraw/zinc/74/33/97/532743397.db2.gz OVHVBXLTDDBIQY-UHFFFAOYSA-N 1 2 386.246 2.433 20 5 GEBDLO COc1cc(C[N@@H+]2CCSC[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000542258327 532768966 /nfs/dbraw/zinc/76/89/66/532768966.db2.gz RHQRNRINGYDSKR-LLVKDONJSA-N 1 2 378.397 2.157 20 5 GEBDLO COc1cc(C[N@H+]2CCSC[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000542258327 532768972 /nfs/dbraw/zinc/76/89/72/532768972.db2.gz RHQRNRINGYDSKR-LLVKDONJSA-N 1 2 378.397 2.157 20 5 GEBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000302819060 532774236 /nfs/dbraw/zinc/77/42/36/532774236.db2.gz JCXYYWBWSQVNPU-UHFFFAOYSA-N 1 2 375.878 2.478 20 5 GEBDLO Cc1cc(Br)cn2cc(CCNC(=O)c3[nH]ncc3[N+](=O)[O-])[nH+]c12 ZINC000546823891 532786026 /nfs/dbraw/zinc/78/60/26/532786026.db2.gz PZSKKILDERUYQN-UHFFFAOYSA-N 1 2 393.201 2.009 20 5 GEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000359940440 212126660 /nfs/dbraw/zinc/12/66/60/212126660.db2.gz GYOOPBVXBGFOBD-HNNXBMFYSA-N 1 2 399.451 2.406 20 5 GEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000359940440 212126663 /nfs/dbraw/zinc/12/66/63/212126663.db2.gz GYOOPBVXBGFOBD-HNNXBMFYSA-N 1 2 399.451 2.406 20 5 GEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000291405050 532901391 /nfs/dbraw/zinc/90/13/91/532901391.db2.gz IZRRDNHRMWCGPQ-BXUZGUMPSA-N 1 2 398.257 2.293 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000370987986 532946374 /nfs/dbraw/zinc/94/63/74/532946374.db2.gz IFWSQFJZTYOGBV-ZDUSSCGKSA-N 1 2 398.257 2.212 20 5 GEBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C2 ZINC000735652173 598500217 /nfs/dbraw/zinc/50/02/17/598500217.db2.gz DCHBQNIEDGCGQC-JTQLQIEISA-N 1 2 383.416 2.091 20 5 GEBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822992119 607177890 /nfs/dbraw/zinc/17/78/90/607177890.db2.gz ISPIYMPIIIYFSO-UHFFFAOYSA-N 1 2 393.407 2.378 20 5 GEBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822992119 607177891 /nfs/dbraw/zinc/17/78/91/607177891.db2.gz ISPIYMPIIIYFSO-UHFFFAOYSA-N 1 2 393.407 2.378 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000511226429 650529949 /nfs/dbraw/zinc/52/99/49/650529949.db2.gz ZZGZKMPKAATEDX-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000511226429 650529952 /nfs/dbraw/zinc/52/99/52/650529952.db2.gz ZZGZKMPKAATEDX-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494408385 650806880 /nfs/dbraw/zinc/80/68/80/650806880.db2.gz WVPFEZCUZSQYKW-UHFFFAOYSA-N 1 2 387.355 2.287 20 5 GEBDLO CC[N@@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494408385 650806883 /nfs/dbraw/zinc/80/68/83/650806883.db2.gz WVPFEZCUZSQYKW-UHFFFAOYSA-N 1 2 387.355 2.287 20 5 GEBDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116279646 643456366 /nfs/dbraw/zinc/45/63/66/643456366.db2.gz QVFQOBPSYROAGW-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000119475885 643553464 /nfs/dbraw/zinc/55/34/64/643553464.db2.gz CKTDVAKEUHSTCH-LBPRGKRZSA-N 1 2 381.479 2.381 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000119475885 643553465 /nfs/dbraw/zinc/55/34/65/643553465.db2.gz CKTDVAKEUHSTCH-LBPRGKRZSA-N 1 2 381.479 2.381 20 5 GEBDLO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000119786144 643571895 /nfs/dbraw/zinc/57/18/95/643571895.db2.gz UQCODMWSSSJOGB-UHFFFAOYSA-N 1 2 379.423 2.024 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159302431 644185859 /nfs/dbraw/zinc/18/58/59/644185859.db2.gz AMKGGEFWXIARJK-GFCCVEGCSA-N 1 2 382.829 2.200 20 5 GEBDLO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])s1 ZINC000280655133 646702640 /nfs/dbraw/zinc/70/26/40/646702640.db2.gz SLSVMRMIPNAOOE-UHFFFAOYSA-N 1 2 386.451 2.454 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000281160645 646750537 /nfs/dbraw/zinc/75/05/37/646750537.db2.gz LMRMXKGELKMQPF-UHFFFAOYSA-N 1 2 377.825 2.292 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000408085051 647923979 /nfs/dbraw/zinc/92/39/79/647923979.db2.gz WFPIMZDYDOFDBA-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000408085051 647923989 /nfs/dbraw/zinc/92/39/89/647923989.db2.gz WFPIMZDYDOFDBA-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000408085242 647924002 /nfs/dbraw/zinc/92/40/02/647924002.db2.gz XWVXDNYYBBQMCP-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000408085242 647924007 /nfs/dbraw/zinc/92/40/07/647924007.db2.gz XWVXDNYYBBQMCP-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610571738 651671511 /nfs/dbraw/zinc/67/15/11/651671511.db2.gz DGWNLIQLBJOQEQ-ZDUSSCGKSA-N 1 2 398.257 2.294 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000571881311 651859300 /nfs/dbraw/zinc/85/93/00/651859300.db2.gz PETGKUVRKIVVOQ-SECBINFHSA-N 1 2 390.195 2.129 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@@H]1C ZINC000754046745 652425364 /nfs/dbraw/zinc/42/53/64/652425364.db2.gz JLJGFGPXSGTSKM-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@@H]1C ZINC000754046745 652425368 /nfs/dbraw/zinc/42/53/68/652425368.db2.gz JLJGFGPXSGTSKM-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1O ZINC000584688732 652525561 /nfs/dbraw/zinc/52/55/61/652525561.db2.gz GEWDNGULHJUYHJ-TVQRCGJNSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1O ZINC000584688732 652525565 /nfs/dbraw/zinc/52/55/65/652525565.db2.gz GEWDNGULHJUYHJ-TVQRCGJNSA-N 1 2 376.194 2.402 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3cc(F)cc(Br)c3C2)c1 ZINC000599682918 652883462 /nfs/dbraw/zinc/88/34/62/652883462.db2.gz NCUFJBBMFIFGFZ-CYBMUJFWSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cc(F)cc(Br)c3C2)c1 ZINC000599682918 652883464 /nfs/dbraw/zinc/88/34/64/652883464.db2.gz NCUFJBBMFIFGFZ-CYBMUJFWSA-N 1 2 399.220 2.112 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCSC1 ZINC000772047205 653138272 /nfs/dbraw/zinc/13/82/72/653138272.db2.gz IKZHFMYYOLIOIJ-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCSC1 ZINC000772047205 653138275 /nfs/dbraw/zinc/13/82/75/653138275.db2.gz IKZHFMYYOLIOIJ-NSHDSACASA-N 1 2 387.845 2.167 20 5 GEBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602483808 653185435 /nfs/dbraw/zinc/18/54/35/653185435.db2.gz LXROUIKHHNTLSK-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602483808 653185443 /nfs/dbraw/zinc/18/54/43/653185443.db2.gz LXROUIKHHNTLSK-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809830667 653305638 /nfs/dbraw/zinc/30/56/38/653305638.db2.gz YWZZLKMRMUJZAY-VHSXEESVSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809830667 653305645 /nfs/dbraw/zinc/30/56/45/653305645.db2.gz YWZZLKMRMUJZAY-VHSXEESVSA-N 1 2 379.841 2.491 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Cl)cc1Cl ZINC000809833619 653306643 /nfs/dbraw/zinc/30/66/43/653306643.db2.gz KODKNHTVTMZOAY-MRVPVSSYSA-N 1 2 391.236 2.391 20 5 GEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815029140 653645819 /nfs/dbraw/zinc/64/58/19/653645819.db2.gz KLZLFMJOPWSHDR-NXEZZACHSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815029140 653645822 /nfs/dbraw/zinc/64/58/22/653645822.db2.gz KLZLFMJOPWSHDR-NXEZZACHSA-N 1 2 379.841 2.491 20 5 GEBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccnc(Cl)c1 ZINC000817288995 653707696 /nfs/dbraw/zinc/70/76/96/653707696.db2.gz QRXGBAYHLOFZKN-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccnc(Cl)c1 ZINC000817288995 653707697 /nfs/dbraw/zinc/70/76/97/653707697.db2.gz QRXGBAYHLOFZKN-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO CN1C(=O)NCC12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000822530301 653830648 /nfs/dbraw/zinc/83/06/48/653830648.db2.gz XAGXGYBQPUYJIH-UHFFFAOYSA-N 1 2 383.246 2.347 20 5 GEBDLO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798225652 654055004 /nfs/dbraw/zinc/05/50/04/654055004.db2.gz FPGAVPAMAOMJHJ-JTQLQIEISA-N 1 2 379.841 2.398 20 5 GEBDLO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798225652 654055007 /nfs/dbraw/zinc/05/50/07/654055007.db2.gz FPGAVPAMAOMJHJ-JTQLQIEISA-N 1 2 379.841 2.398 20 5 GEBDLO CO[C@H]1CC[C@@H]1[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000902637188 654189732 /nfs/dbraw/zinc/18/97/32/654189732.db2.gz GOICYCXHPRMDRS-JSGCOSHPSA-N 1 2 384.230 2.380 20 5 GEBDLO CO[C@H]1CC[C@@H]1[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000902637188 654189739 /nfs/dbraw/zinc/18/97/39/654189739.db2.gz GOICYCXHPRMDRS-JSGCOSHPSA-N 1 2 384.230 2.380 20 5 GEBDLO C[S@](=O)CC[NH+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC000892658672 654356364 /nfs/dbraw/zinc/35/63/64/654356364.db2.gz WIXMVGBBFAYFLL-VWLOTQADSA-N 1 2 382.873 2.297 20 5 GEBDLO COc1cc(C[NH2+]Cc2cn(C)nc2Br)c([N+](=O)[O-])cc1OC ZINC000922469740 654395987 /nfs/dbraw/zinc/39/59/87/654395987.db2.gz HUCWZCUAXSGIBX-UHFFFAOYSA-N 1 2 385.218 2.398 20 5 GEBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929648733 654689369 /nfs/dbraw/zinc/68/93/69/654689369.db2.gz GVYRLKMJKXKINT-CYBMUJFWSA-N 1 2 383.246 2.347 20 5 GEBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929648733 654689373 /nfs/dbraw/zinc/68/93/73/654689373.db2.gz GVYRLKMJKXKINT-CYBMUJFWSA-N 1 2 383.246 2.347 20 5 GEBDLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930017758 654697522 /nfs/dbraw/zinc/69/75/22/654697522.db2.gz KLYCTEAWNDIPIB-AWEZNQCLSA-N 1 2 375.219 2.415 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001165007519 721695895 /nfs/dbraw/zinc/69/58/95/721695895.db2.gz DLUVDFVURLMVPF-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001165007519 721695899 /nfs/dbraw/zinc/69/58/99/721695899.db2.gz DLUVDFVURLMVPF-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Br)[NH+]1CCOCC1 ZINC000064129009 531863416 /nfs/dbraw/zinc/86/34/16/531863416.db2.gz VYPGQKUKXCNMAP-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H](C)[NH+]1CCOCC1 ZINC000121436302 532029380 /nfs/dbraw/zinc/02/93/80/532029380.db2.gz NOOINTWJLMYWCZ-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO Cc1sc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000123174756 532094796 /nfs/dbraw/zinc/09/47/96/532094796.db2.gz ZJDYXTQKTURYDV-UHFFFAOYSA-N 1 2 382.467 2.307 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000151155384 532307818 /nfs/dbraw/zinc/30/78/18/532307818.db2.gz PFXSRADZXXQBEP-CYBMUJFWSA-N 1 2 383.813 2.485 20 5 GEBDLO Cc1nc(N)c(CNC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c[nH+]1 ZINC000516963168 532399174 /nfs/dbraw/zinc/39/91/74/532399174.db2.gz PTZRZQATJUIIGU-UHFFFAOYSA-N 1 2 380.202 2.276 20 5 GEBDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000428064931 532443028 /nfs/dbraw/zinc/44/30/28/532443028.db2.gz BBYUWTIMAPVFSN-LBPRGKRZSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000428064931 532443031 /nfs/dbraw/zinc/44/30/31/532443031.db2.gz BBYUWTIMAPVFSN-LBPRGKRZSA-N 1 2 386.246 2.198 20 5 GEBDLO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000283465670 532542137 /nfs/dbraw/zinc/54/21/37/532542137.db2.gz GDWSYAHPNASOMC-UHFFFAOYSA-N 1 2 376.797 2.261 20 5 GEBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccccc1Br ZINC000471695374 532556786 /nfs/dbraw/zinc/55/67/86/532556786.db2.gz YNAKKFUTNXJKRR-UHFFFAOYSA-N 1 2 382.218 2.124 20 5 GEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccccc1Br ZINC000471695374 532556793 /nfs/dbraw/zinc/55/67/93/532556793.db2.gz YNAKKFUTNXJKRR-UHFFFAOYSA-N 1 2 382.218 2.124 20 5 GEBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000284317693 532586002 /nfs/dbraw/zinc/58/60/02/532586002.db2.gz AYNDJYQZGVFLRK-KBPBESRZSA-N 1 2 385.873 2.272 20 5 GEBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000284317693 532586006 /nfs/dbraw/zinc/58/60/06/532586006.db2.gz AYNDJYQZGVFLRK-KBPBESRZSA-N 1 2 385.873 2.272 20 5 GEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000284131040 532576290 /nfs/dbraw/zinc/57/62/90/532576290.db2.gz USUBLUWZZOKMEV-SNVBAGLBSA-N 1 2 386.246 2.116 20 5 GEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000285995708 532724437 /nfs/dbraw/zinc/72/44/37/532724437.db2.gz YBAJLCQSMSAYSA-AAEUAGOBSA-N 1 2 398.257 2.293 20 5 GEBDLO O=[N+]([O-])c1cc(Br)cnc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302738692 532773743 /nfs/dbraw/zinc/77/37/43/532773743.db2.gz BWLSXVNGCPAMOC-GFCCVEGCSA-N 1 2 382.218 2.425 20 5 GEBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416377872 532873435 /nfs/dbraw/zinc/87/34/35/532873435.db2.gz YFLOLVCCJHKUAE-UHFFFAOYSA-N 1 2 381.376 2.328 20 5 GEBDLO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420946300 532887624 /nfs/dbraw/zinc/88/76/24/532887624.db2.gz SGDBWLRUXDLGLK-GHMZBOCLSA-N 1 2 386.246 2.246 20 5 GEBDLO C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420946300 532887627 /nfs/dbraw/zinc/88/76/27/532887627.db2.gz SGDBWLRUXDLGLK-GHMZBOCLSA-N 1 2 386.246 2.246 20 5 GEBDLO CS[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275835874 532884026 /nfs/dbraw/zinc/88/40/26/532884026.db2.gz PCGQYJZRXJUVEL-RYUDHWBXSA-N 1 2 391.540 2.076 20 5 GEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)ccc1Br ZINC000293113251 532922090 /nfs/dbraw/zinc/92/20/90/532922090.db2.gz YRCYHTZNPLZFEJ-ZDUSSCGKSA-N 1 2 396.245 2.278 20 5 GEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)ccc1Br ZINC000293113251 532922092 /nfs/dbraw/zinc/92/20/92/532922092.db2.gz YRCYHTZNPLZFEJ-ZDUSSCGKSA-N 1 2 396.245 2.278 20 5 GEBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293902493 532933324 /nfs/dbraw/zinc/93/33/24/532933324.db2.gz WFYGNPJBAITKBR-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293902493 532933325 /nfs/dbraw/zinc/93/33/25/532933325.db2.gz WFYGNPJBAITKBR-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO C[N@@H+]1CCc2nc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)sc2C1 ZINC000371495302 532948302 /nfs/dbraw/zinc/94/83/02/532948302.db2.gz CGCFFADCAWMZDG-UHFFFAOYSA-N 1 2 376.423 2.296 20 5 GEBDLO C[N@H+]1CCc2nc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)sc2C1 ZINC000371495302 532948303 /nfs/dbraw/zinc/94/83/03/532948303.db2.gz CGCFFADCAWMZDG-UHFFFAOYSA-N 1 2 376.423 2.296 20 5 GEBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000371565455 532948622 /nfs/dbraw/zinc/94/86/22/532948622.db2.gz MNMGQIFLBHFTRU-MRXNPFEDSA-N 1 2 385.873 2.186 20 5 GEBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371051922 532946640 /nfs/dbraw/zinc/94/66/40/532946640.db2.gz CBMGINVHNBVGFA-LLVKDONJSA-N 1 2 384.845 2.468 20 5 GEBDLO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000371054105 532946739 /nfs/dbraw/zinc/94/67/39/532946739.db2.gz MVGNBTXISCYWFN-LLVKDONJSA-N 1 2 384.845 2.468 20 5 GEBDLO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1c(F)cccc1F ZINC000736758789 599058278 /nfs/dbraw/zinc/05/82/78/599058278.db2.gz IJTBICKCFNEXOX-CYBMUJFWSA-N 1 2 390.354 2.163 20 5 GEBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000738367601 598243258 /nfs/dbraw/zinc/24/32/58/598243258.db2.gz WFSKHHWWVNYNIJ-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501087829 650387899 /nfs/dbraw/zinc/38/78/99/650387899.db2.gz ZGAVWPPEDOXUHG-JTQLQIEISA-N 1 2 387.234 2.200 20 5 GEBDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000131249813 643868490 /nfs/dbraw/zinc/86/84/90/643868490.db2.gz QCKCPFLGCZKANX-TXEJJXNPSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000131249813 643868492 /nfs/dbraw/zinc/86/84/92/643868492.db2.gz QCKCPFLGCZKANX-TXEJJXNPSA-N 1 2 391.877 2.026 20 5 GEBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269499838 646041824 /nfs/dbraw/zinc/04/18/24/646041824.db2.gz WOPVIXPMKZXHSR-SECBINFHSA-N 1 2 378.332 2.177 20 5 GEBDLO C[N@@H+]1CC[C@@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272157813 646258188 /nfs/dbraw/zinc/25/81/88/646258188.db2.gz FGDOLKZCPKVMFA-YGRLFVJLSA-N 1 2 375.397 2.122 20 5 GEBDLO C[N@H+]1CC[C@@H]2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272157813 646258194 /nfs/dbraw/zinc/25/81/94/646258194.db2.gz FGDOLKZCPKVMFA-YGRLFVJLSA-N 1 2 375.397 2.122 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000279339106 646592627 /nfs/dbraw/zinc/59/26/27/646592627.db2.gz PYWWHQZVVMJKBN-LLVKDONJSA-N 1 2 386.246 2.150 20 5 GEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453528 648129589 /nfs/dbraw/zinc/12/95/89/648129589.db2.gz QXGKREXUTHYSGR-VHSXEESVSA-N 1 2 381.376 2.327 20 5 GEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416453528 648129594 /nfs/dbraw/zinc/12/95/94/648129594.db2.gz QXGKREXUTHYSGR-VHSXEESVSA-N 1 2 381.376 2.327 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cc(F)cc(Br)c3C2)c1 ZINC000599682921 652883283 /nfs/dbraw/zinc/88/32/83/652883283.db2.gz NCUFJBBMFIFGFZ-ZDUSSCGKSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cc(F)cc(Br)c3C2)c1 ZINC000599682921 652883288 /nfs/dbraw/zinc/88/32/88/652883288.db2.gz NCUFJBBMFIFGFZ-ZDUSSCGKSA-N 1 2 399.220 2.112 20 5 GEBDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602468963 653184191 /nfs/dbraw/zinc/18/41/91/653184191.db2.gz PJABWXZNGTWXNV-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602468963 653184196 /nfs/dbraw/zinc/18/41/96/653184196.db2.gz PJABWXZNGTWXNV-GFCCVEGCSA-N 1 2 381.376 2.127 20 5 GEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000770723777 653222489 /nfs/dbraw/zinc/22/24/89/653222489.db2.gz RIJXOZUXYJOJEH-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000770723777 653222499 /nfs/dbraw/zinc/22/24/99/653222499.db2.gz RIJXOZUXYJOJEH-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770721943 653222681 /nfs/dbraw/zinc/22/26/81/653222681.db2.gz CVPBEJKLCMGRCW-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770721943 653222683 /nfs/dbraw/zinc/22/26/83/653222683.db2.gz CVPBEJKLCMGRCW-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO CN(CC(=O)N[C@@H]1CCn2c[nH+]cc21)c1cc(Br)ccc1[N+](=O)[O-] ZINC000857977394 653345797 /nfs/dbraw/zinc/34/57/97/653345797.db2.gz DGYFQCIWWDJLBX-LLVKDONJSA-N 1 2 394.229 2.251 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000815021169 653644613 /nfs/dbraw/zinc/64/46/13/653644613.db2.gz LXVWQAANPLYZQS-SNVBAGLBSA-N 1 2 375.809 2.022 20 5 GEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815029142 653645880 /nfs/dbraw/zinc/64/58/80/653645880.db2.gz KLZLFMJOPWSHDR-VHSXEESVSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815029142 653645883 /nfs/dbraw/zinc/64/58/83/653645883.db2.gz KLZLFMJOPWSHDR-VHSXEESVSA-N 1 2 379.841 2.491 20 5 GEBDLO COC(=O)[C@H]1CSCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840185516 653678979 /nfs/dbraw/zinc/67/89/79/653678979.db2.gz GACQVBLJMBXQIG-LLVKDONJSA-N 1 2 384.845 2.393 20 5 GEBDLO COC(=O)[C@H]1CSCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000840185516 653678981 /nfs/dbraw/zinc/67/89/81/653678981.db2.gz GACQVBLJMBXQIG-LLVKDONJSA-N 1 2 384.845 2.393 20 5 GEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795904498 653976594 /nfs/dbraw/zinc/97/65/94/653976594.db2.gz RZVKFNAKPXRWMM-VHSXEESVSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795904498 653976597 /nfs/dbraw/zinc/97/65/97/653976597.db2.gz RZVKFNAKPXRWMM-VHSXEESVSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)C1 ZINC000796071272 653984292 /nfs/dbraw/zinc/98/42/92/653984292.db2.gz PYUGDYUZRJYAOO-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H](C)C1 ZINC000796071272 653984294 /nfs/dbraw/zinc/98/42/94/653984294.db2.gz PYUGDYUZRJYAOO-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO COCC[NH+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000900683529 654076517 /nfs/dbraw/zinc/07/65/17/654076517.db2.gz BGRWTEKHPKCMQV-UHFFFAOYSA-N 1 2 380.203 2.445 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921323591 654248449 /nfs/dbraw/zinc/24/84/49/654248449.db2.gz KVEOZERTKBDIJS-DGCLKSJQSA-N 1 2 391.902 2.106 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921323591 654248451 /nfs/dbraw/zinc/24/84/51/654248451.db2.gz KVEOZERTKBDIJS-DGCLKSJQSA-N 1 2 391.902 2.106 20 5 GEBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001165010375 721695808 /nfs/dbraw/zinc/69/58/08/721695808.db2.gz WAKFFTNJWICXEY-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001165010375 721695812 /nfs/dbraw/zinc/69/58/12/721695812.db2.gz WAKFFTNJWICXEY-UHFFFAOYSA-N 1 2 379.852 2.485 20 5 GEBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001164917851 721816939 /nfs/dbraw/zinc/81/69/39/721816939.db2.gz JSBQGJARURPWKD-UHFFFAOYSA-N 1 2 381.440 2.417 20 5 GEBDLO Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001164946804 721971499 /nfs/dbraw/zinc/97/14/99/721971499.db2.gz WLVBXNNWIXVIOT-UHFFFAOYSA-N 1 2 395.463 2.269 20 5 GEBDLO Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001164946804 721971502 /nfs/dbraw/zinc/97/15/02/721971502.db2.gz WLVBXNNWIXVIOT-UHFFFAOYSA-N 1 2 395.463 2.269 20 5 GEBDLO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120745113 531992310 /nfs/dbraw/zinc/99/23/10/531992310.db2.gz QLGMUFHGATYZSV-GHMZBOCLSA-N 1 2 386.246 2.389 20 5 GEBDLO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120745113 531992318 /nfs/dbraw/zinc/99/23/18/531992318.db2.gz QLGMUFHGATYZSV-GHMZBOCLSA-N 1 2 386.246 2.389 20 5 GEBDLO Cc1ccc(N2CCC(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH+]c1 ZINC000173209611 531995258 /nfs/dbraw/zinc/99/52/58/531995258.db2.gz GJCKELWPGNJEQT-UHFFFAOYSA-N 1 2 382.467 2.307 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174491298 532066153 /nfs/dbraw/zinc/06/61/53/532066153.db2.gz FQAQRTMEKINVJF-ZDUSSCGKSA-N 1 2 398.257 2.294 20 5 GEBDLO Cc1sc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000122970483 532088359 /nfs/dbraw/zinc/08/83/59/532088359.db2.gz AERTTWXRQWZKCN-UHFFFAOYSA-N 1 2 382.467 2.438 20 5 GEBDLO C[C@H]1C[NH+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179605042 532238193 /nfs/dbraw/zinc/23/81/93/532238193.db2.gz OTVSFLFBIXMDQT-RYUDHWBXSA-N 1 2 391.515 2.361 20 5 GEBDLO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000376841734 532631014 /nfs/dbraw/zinc/63/10/14/532631014.db2.gz JAUQPFIITZDARR-LLVKDONJSA-N 1 2 384.845 2.468 20 5 GEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599846934 532668682 /nfs/dbraw/zinc/66/86/82/532668682.db2.gz HKZFDAYSAPLEIR-LLVKDONJSA-N 1 2 386.246 2.150 20 5 GEBDLO C[C@H]1C[NH+]=C(N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)S1 ZINC000301704017 532757753 /nfs/dbraw/zinc/75/77/53/532757753.db2.gz UXTVRHMVSFTYNG-VIFPVBQESA-N 1 2 386.275 2.366 20 5 GEBDLO COc1cccc([C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)c2[nH+]ccn2C)c1 ZINC000359959546 212126927 /nfs/dbraw/zinc/12/69/27/212126927.db2.gz MJHJMEGQDUAUQZ-SFHVURJKSA-N 1 2 398.423 2.138 20 5 GEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000290725617 532887536 /nfs/dbraw/zinc/88/75/36/532887536.db2.gz XYZMXZQLSMHIOV-NWDGAFQWSA-N 1 2 398.257 2.293 20 5 GEBDLO CS[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275835878 532884165 /nfs/dbraw/zinc/88/41/65/532884165.db2.gz PCGQYJZRXJUVEL-VXGBXAGGSA-N 1 2 391.540 2.076 20 5 GEBDLO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)cc1-c1nn[nH]n1 ZINC000826499098 607452891 /nfs/dbraw/zinc/45/28/91/607452891.db2.gz VUIMEZUZVVLJCB-UHFFFAOYSA-N 1 2 395.423 2.219 20 5 GEBDLO O=[N+]([O-])c1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1-c1nn[nH]n1 ZINC000823634844 606645317 /nfs/dbraw/zinc/64/53/17/606645317.db2.gz NGJUOXNOEQXHAT-QGZVFWFLSA-N 1 2 395.423 2.260 20 5 GEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000823647608 607055744 /nfs/dbraw/zinc/05/57/44/607055744.db2.gz NCCZAZADSDHWPO-UHFFFAOYSA-N 1 2 383.387 2.236 20 5 GEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826409675 608173345 /nfs/dbraw/zinc/17/33/45/608173345.db2.gz KELKYCJHFRKJFF-UHFFFAOYSA-N 1 2 393.407 2.378 20 5 GEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826409675 608173347 /nfs/dbraw/zinc/17/33/47/608173347.db2.gz KELKYCJHFRKJFF-UHFFFAOYSA-N 1 2 393.407 2.378 20 5 GEBDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(-c2nn[nH]n2)c1C ZINC000826341222 608564157 /nfs/dbraw/zinc/56/41/57/608564157.db2.gz APHXCGYFBWZWSS-JTQLQIEISA-N 1 2 385.384 2.274 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cs1 ZINC000119648604 643563635 /nfs/dbraw/zinc/56/36/35/643563635.db2.gz UMGCVDOVSKUJKO-UHFFFAOYSA-N 1 2 382.398 2.460 20 5 GEBDLO COc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000125894769 643715513 /nfs/dbraw/zinc/71/55/13/643715513.db2.gz SVXPBUIBVYMKSV-REFGNXHDSA-N 1 2 380.413 2.446 20 5 GEBDLO COc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000125894769 643715520 /nfs/dbraw/zinc/71/55/20/643715520.db2.gz SVXPBUIBVYMKSV-REFGNXHDSA-N 1 2 380.413 2.446 20 5 GEBDLO COc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000125895242 643715655 /nfs/dbraw/zinc/71/56/55/643715655.db2.gz SVXPBUIBVYMKSV-JUTIIYIPSA-N 1 2 380.413 2.446 20 5 GEBDLO COc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000125895242 643715660 /nfs/dbraw/zinc/71/56/60/643715660.db2.gz SVXPBUIBVYMKSV-JUTIIYIPSA-N 1 2 380.413 2.446 20 5 GEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000287480681 646887981 /nfs/dbraw/zinc/88/79/81/646887981.db2.gz SZYJPLALBRIKIL-DGCLKSJQSA-N 1 2 398.257 2.293 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363618135 647603010 /nfs/dbraw/zinc/60/30/10/647603010.db2.gz RYVDGUILLLPSHM-UHFFFAOYSA-N 1 2 384.845 2.302 20 5 GEBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000364761298 647640893 /nfs/dbraw/zinc/64/08/93/647640893.db2.gz YSQAJWRRKFMISB-CQSZACIVSA-N 1 2 385.511 2.023 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1I)N1CCn2c[nH+]cc2C1 ZINC000365716935 647682044 /nfs/dbraw/zinc/68/20/44/647682044.db2.gz DUVATCGNQJLTJR-UHFFFAOYSA-N 1 2 398.160 2.052 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000408084117 647923569 /nfs/dbraw/zinc/92/35/69/647923569.db2.gz MVFXBEYLGXFVTE-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000408084117 647923572 /nfs/dbraw/zinc/92/35/72/647923572.db2.gz MVFXBEYLGXFVTE-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000427766970 648728979 /nfs/dbraw/zinc/72/89/79/648728979.db2.gz OTULUARCYHSLCP-GFCCVEGCSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000427766970 648729000 /nfs/dbraw/zinc/72/90/00/648729000.db2.gz OTULUARCYHSLCP-GFCCVEGCSA-N 1 2 386.246 2.198 20 5 GEBDLO CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000733190864 651693140 /nfs/dbraw/zinc/69/31/40/651693140.db2.gz KHRWQSHIWPKEHM-LLVKDONJSA-N 1 2 375.397 2.264 20 5 GEBDLO CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000733190864 651693143 /nfs/dbraw/zinc/69/31/43/651693143.db2.gz KHRWQSHIWPKEHM-LLVKDONJSA-N 1 2 375.397 2.264 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC(n2cc[nH+]c2)C1 ZINC000759056008 652561380 /nfs/dbraw/zinc/56/13/80/652561380.db2.gz DQLWMUCIYGOWAP-UHFFFAOYSA-N 1 2 376.316 2.146 20 5 GEBDLO O=C(NCC(F)(F)Br)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000805246118 653106787 /nfs/dbraw/zinc/10/67/87/653106787.db2.gz NYBMRXGFSKZKPR-UHFFFAOYSA-N 1 2 375.129 2.498 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000768560843 653117394 /nfs/dbraw/zinc/11/73/94/653117394.db2.gz GHNXHXLWXFUTSX-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000768560843 653117396 /nfs/dbraw/zinc/11/73/96/653117396.db2.gz GHNXHXLWXFUTSX-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768564506 653117780 /nfs/dbraw/zinc/11/77/80/653117780.db2.gz ZTZDGBKRCOOYQW-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768564506 653117789 /nfs/dbraw/zinc/11/77/89/653117789.db2.gz ZTZDGBKRCOOYQW-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO COCC(=O)NC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000768885144 653135630 /nfs/dbraw/zinc/13/56/30/653135630.db2.gz URBVNLVCHMRKEH-UHFFFAOYSA-N 1 2 386.246 2.084 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(Cl)cc1Cl ZINC000809841330 653308505 /nfs/dbraw/zinc/30/85/05/653308505.db2.gz FXDAQQLVOPKJLJ-UHFFFAOYSA-N 1 2 380.253 2.442 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(Cl)cc1Cl ZINC000809841330 653308513 /nfs/dbraw/zinc/30/85/13/653308513.db2.gz FXDAQQLVOPKJLJ-UHFFFAOYSA-N 1 2 380.253 2.442 20 5 GEBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809953448 653314639 /nfs/dbraw/zinc/31/46/39/653314639.db2.gz NWIPYOSAWAWDPZ-UHFFFAOYSA-N 1 2 375.256 2.283 20 5 GEBDLO O=C1N=NCN1C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000787668295 653741737 /nfs/dbraw/zinc/74/17/37/653741737.db2.gz FVJDQZSIJCFMOD-UHFFFAOYSA-N 1 2 382.218 2.492 20 5 GEBDLO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCn2cc[nH+]c2C1 ZINC000881863838 653744305 /nfs/dbraw/zinc/74/43/05/653744305.db2.gz GZXWDLBZKKEAGD-JTQLQIEISA-N 1 2 379.214 2.433 20 5 GEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])ncc1Br ZINC000825421175 653928946 /nfs/dbraw/zinc/92/89/46/653928946.db2.gz KORCGCCWQSZZDX-UHFFFAOYSA-N 1 2 394.229 2.258 20 5 GEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795251409 653940647 /nfs/dbraw/zinc/94/06/47/653940647.db2.gz FJLPCKZKSRLJHT-NSHDSACASA-N 1 2 396.245 2.195 20 5 GEBDLO CO[C@H]1C[C@@H]([N@H+](C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795675608 653962732 /nfs/dbraw/zinc/96/27/32/653962732.db2.gz RTCVRAYGEMPMIL-PHIMTYICSA-N 1 2 384.230 2.380 20 5 GEBDLO CO[C@H]1C[C@@H]([N@@H+](C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795675608 653962734 /nfs/dbraw/zinc/96/27/34/653962734.db2.gz RTCVRAYGEMPMIL-PHIMTYICSA-N 1 2 384.230 2.380 20 5 GEBDLO O=C1N=NCN1C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000894610207 654490411 /nfs/dbraw/zinc/49/04/11/654490411.db2.gz RXFUSDBZILXSIH-UHFFFAOYSA-N 1 2 382.218 2.492 20 5 GEBDLO Cn1cc([C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[NH2+]2)cn1 ZINC000913459483 654793445 /nfs/dbraw/zinc/79/34/45/654793445.db2.gz CMKYRTGMAWORCS-ZDUSSCGKSA-N 1 2 384.223 2.422 20 5 GEBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165007142 721698047 /nfs/dbraw/zinc/69/80/47/721698047.db2.gz BGNDPGCIRMRDJG-UHFFFAOYSA-N 1 2 394.867 2.189 20 5 GEBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165007142 721698053 /nfs/dbraw/zinc/69/80/53/721698053.db2.gz BGNDPGCIRMRDJG-UHFFFAOYSA-N 1 2 394.867 2.189 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026840260 531618731 /nfs/dbraw/zinc/61/87/31/531618731.db2.gz IAPBVRYTRCZCOG-SDDRHHMPSA-N 1 2 391.877 2.024 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000026840260 531618739 /nfs/dbraw/zinc/61/87/39/531618739.db2.gz IAPBVRYTRCZCOG-SDDRHHMPSA-N 1 2 391.877 2.024 20 5 GEBDLO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160546602 531809758 /nfs/dbraw/zinc/80/97/58/531809758.db2.gz KWIIFNLPMFRYFV-LLVKDONJSA-N 1 2 377.260 2.366 20 5 GEBDLO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160546602 531809763 /nfs/dbraw/zinc/80/97/63/531809763.db2.gz KWIIFNLPMFRYFV-LLVKDONJSA-N 1 2 377.260 2.366 20 5 GEBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000172534167 531957970 /nfs/dbraw/zinc/95/79/70/531957970.db2.gz KCTDHEJYTAMUDL-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000172534167 531957974 /nfs/dbraw/zinc/95/79/74/531957974.db2.gz KCTDHEJYTAMUDL-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3cc(Br)sc3C2)c1 ZINC000119285173 531965317 /nfs/dbraw/zinc/96/53/17/531965317.db2.gz BYBODDXKIFDRNV-LLVKDONJSA-N 1 2 387.259 2.035 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cc(Br)sc3C2)c1 ZINC000119285173 531965322 /nfs/dbraw/zinc/96/53/22/531965322.db2.gz BYBODDXKIFDRNV-LLVKDONJSA-N 1 2 387.259 2.035 20 5 GEBDLO O=C(CSc1ncccc1[N+](=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000127910872 532158536 /nfs/dbraw/zinc/15/85/36/532158536.db2.gz MLXSFLKCADMBIE-UHFFFAOYSA-N 1 2 378.479 2.488 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000591327407 532407690 /nfs/dbraw/zinc/40/76/90/532407690.db2.gz SVWZAUWCYCIMQH-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000591327407 532407696 /nfs/dbraw/zinc/40/76/96/532407696.db2.gz SVWZAUWCYCIMQH-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1[nH]cc[nH+]1 ZINC000564355770 532522645 /nfs/dbraw/zinc/52/26/45/532522645.db2.gz IDEJFPZYUJJGQH-SSDOTTSWSA-N 1 2 386.149 2.414 20 5 GEBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000594762852 532523704 /nfs/dbraw/zinc/52/37/04/532523704.db2.gz YWTIPORMVPCQHO-AWEZNQCLSA-N 1 2 384.845 2.224 20 5 GEBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1[nH+]ccn1C ZINC000595382473 532562572 /nfs/dbraw/zinc/56/25/72/532562572.db2.gz JCZBDRYJPWSSPP-MRVPVSSYSA-N 1 2 378.332 2.387 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284272213 532583466 /nfs/dbraw/zinc/58/34/66/532583466.db2.gz YGSUZESZUAUANM-CABCVRRESA-N 1 2 398.257 2.211 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284272213 532583470 /nfs/dbraw/zinc/58/34/70/532583470.db2.gz YGSUZESZUAUANM-CABCVRRESA-N 1 2 398.257 2.211 20 5 GEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598001330 532636843 /nfs/dbraw/zinc/63/68/43/532636843.db2.gz ZECJEVQHYWNRSI-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598001330 532636849 /nfs/dbraw/zinc/63/68/49/532636849.db2.gz ZECJEVQHYWNRSI-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000539171166 532725364 /nfs/dbraw/zinc/72/53/64/532725364.db2.gz XMROOPKRIAGVNF-UHFFFAOYSA-N 1 2 378.332 2.141 20 5 GEBDLO O=C1CN(c2ccc(Nc3ccc(Br)cc3[N+](=O)[O-])c[nH+]2)CCN1 ZINC000301160802 532742948 /nfs/dbraw/zinc/74/29/48/532742948.db2.gz HFZDKAHRJKVTCM-UHFFFAOYSA-N 1 2 392.213 2.432 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c(C(F)(F)F)c1 ZINC000289419058 532853990 /nfs/dbraw/zinc/85/39/90/532853990.db2.gz BSBNXOOZKJQBCI-UHFFFAOYSA-N 1 2 376.316 2.015 20 5 GEBDLO O=[N+]([O-])c1cc(I)cc(CN2CCn3c[nH+]cc3C2)c1 ZINC000291601585 532904880 /nfs/dbraw/zinc/90/48/80/532904880.db2.gz QMHZTIQVEMTVRU-UHFFFAOYSA-N 1 2 384.177 2.412 20 5 GEBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000364355185 532906422 /nfs/dbraw/zinc/90/64/22/532906422.db2.gz CBHYZPIQLFIKNK-MRXNPFEDSA-N 1 2 385.873 2.186 20 5 GEBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000371321236 532947460 /nfs/dbraw/zinc/94/74/60/532947460.db2.gz AFEZNSJNKRTNJC-LLVKDONJSA-N 1 2 384.845 2.468 20 5 GEBDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1nccc(-c3nn[nH]n3)c1[N+](=O)[O-])C2 ZINC000819957782 606704299 /nfs/dbraw/zinc/70/42/99/606704299.db2.gz DMNJHECVWICUAE-SNVBAGLBSA-N 1 2 383.416 2.091 20 5 GEBDLO O=C(C[N@H+]1CC[C@H](CCCO)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452133349 650175562 /nfs/dbraw/zinc/17/55/62/650175562.db2.gz RXBGHFRIGSABFZ-NSHDSACASA-N 1 2 386.246 2.390 20 5 GEBDLO O=C(C[N@@H+]1CC[C@H](CCCO)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452133349 650175564 /nfs/dbraw/zinc/17/55/64/650175564.db2.gz RXBGHFRIGSABFZ-NSHDSACASA-N 1 2 386.246 2.390 20 5 GEBDLO C[N@H+](Cc1ccccc1)C1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000286307729 646869642 /nfs/dbraw/zinc/86/96/42/646869642.db2.gz JYSMJJRKBFBQAZ-UHFFFAOYSA-N 1 2 381.479 2.380 20 5 GEBDLO C[N@@H+](Cc1ccccc1)C1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000286307729 646869645 /nfs/dbraw/zinc/86/96/45/646869645.db2.gz JYSMJJRKBFBQAZ-UHFFFAOYSA-N 1 2 381.479 2.380 20 5 GEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408085241 647923915 /nfs/dbraw/zinc/92/39/15/647923915.db2.gz XWVXDNYYBBQMCP-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000408085241 647923919 /nfs/dbraw/zinc/92/39/19/647923919.db2.gz XWVXDNYYBBQMCP-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000603377165 651486866 /nfs/dbraw/zinc/48/68/66/651486866.db2.gz YZBKWNMTOBDBJX-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000603377165 651486868 /nfs/dbraw/zinc/48/68/68/651486868.db2.gz YZBKWNMTOBDBJX-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000573142497 651937086 /nfs/dbraw/zinc/93/70/86/651937086.db2.gz YMCATNZGDBQEAD-MFKMUULPSA-N 1 2 376.194 2.402 20 5 GEBDLO CC[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000573142497 651937090 /nfs/dbraw/zinc/93/70/90/651937090.db2.gz YMCATNZGDBQEAD-MFKMUULPSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1O ZINC000584688730 652525541 /nfs/dbraw/zinc/52/55/41/652525541.db2.gz GEWDNGULHJUYHJ-NOZJJQNGSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1O ZINC000584688730 652525545 /nfs/dbraw/zinc/52/55/45/652525545.db2.gz GEWDNGULHJUYHJ-NOZJJQNGSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000768560063 653117515 /nfs/dbraw/zinc/11/75/15/653117515.db2.gz AYLBGJLYKWYTER-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000768560063 653117521 /nfs/dbraw/zinc/11/75/21/653117521.db2.gz AYLBGJLYKWYTER-ZJUUUORDSA-N 1 2 392.275 2.070 20 5 GEBDLO Cn1cc(C[NH+]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)cn1 ZINC000769309129 653148589 /nfs/dbraw/zinc/14/85/89/653148589.db2.gz RBVRPYAUZHCHQV-UHFFFAOYSA-N 1 2 394.273 2.409 20 5 GEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000769842375 653181537 /nfs/dbraw/zinc/18/15/37/653181537.db2.gz NMLYPGBTIFVBCC-GFCCVEGCSA-N 1 2 389.499 2.115 20 5 GEBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000770717748 653222689 /nfs/dbraw/zinc/22/26/89/653222689.db2.gz YKLLRNGIBYEXAT-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000770717748 653222693 /nfs/dbraw/zinc/22/26/93/653222693.db2.gz YKLLRNGIBYEXAT-UWVGGRQHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025781 653645414 /nfs/dbraw/zinc/64/54/14/653645414.db2.gz KJNCVUCDPPVVOI-UFBFGSQYSA-N 1 2 377.825 2.148 20 5 GEBDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025781 653645417 /nfs/dbraw/zinc/64/54/17/653645417.db2.gz KJNCVUCDPPVVOI-UFBFGSQYSA-N 1 2 377.825 2.148 20 5 GEBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865530429 653767812 /nfs/dbraw/zinc/76/78/12/653767812.db2.gz ANWNTKDFCKQDPW-UHFFFAOYSA-N 1 2 377.413 2.453 20 5 GEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795890653 653975566 /nfs/dbraw/zinc/97/55/66/653975566.db2.gz UUAYDDGHTUPMFY-UHFFFAOYSA-N 1 2 376.797 2.295 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000796070536 653984240 /nfs/dbraw/zinc/98/42/40/653984240.db2.gz NHIYBCOCFWXYRW-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000796070536 653984246 /nfs/dbraw/zinc/98/42/46/653984246.db2.gz NHIYBCOCFWXYRW-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC1CC[NH+](CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000798225560 654055087 /nfs/dbraw/zinc/05/50/87/654055087.db2.gz AWNFWXINNMLYRD-UHFFFAOYSA-N 1 2 379.841 2.398 20 5 GEBDLO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000869102446 654069282 /nfs/dbraw/zinc/06/92/82/654069282.db2.gz YEMSNIZZYRXANN-NSHDSACASA-N 1 2 379.214 2.228 20 5 GEBDLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164944128 721972440 /nfs/dbraw/zinc/97/24/40/721972440.db2.gz GVAVKRCPLCURKG-UHFFFAOYSA-N 1 2 399.426 2.100 20 5 GEBDLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001164944128 721972441 /nfs/dbraw/zinc/97/24/41/721972441.db2.gz GVAVKRCPLCURKG-UHFFFAOYSA-N 1 2 399.426 2.100 20 5 GEBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000031941387 531647319 /nfs/dbraw/zinc/64/73/19/531647319.db2.gz VOAIREAULSCQND-INIZCTEOSA-N 1 2 385.873 2.186 20 5 GEBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000058304070 531829412 /nfs/dbraw/zinc/82/94/12/531829412.db2.gz ABSDJFMKRJAIDP-UHFFFAOYSA-N 1 2 386.275 2.475 20 5 GEBDLO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000120856012 531997563 /nfs/dbraw/zinc/99/75/63/531997563.db2.gz QJWKLBYLCGICIO-QWRGUYRKSA-N 1 2 386.246 2.196 20 5 GEBDLO COCCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000174853663 532081273 /nfs/dbraw/zinc/08/12/73/532081273.db2.gz HUVPMHMHHVXDQE-CQSZACIVSA-N 1 2 376.862 2.274 20 5 GEBDLO COCCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000174853663 532081277 /nfs/dbraw/zinc/08/12/77/532081277.db2.gz HUVPMHMHHVXDQE-CQSZACIVSA-N 1 2 376.862 2.274 20 5 GEBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134667999 532260164 /nfs/dbraw/zinc/26/01/64/532260164.db2.gz QJWZBXHAWNDSJO-MRXNPFEDSA-N 1 2 385.873 2.186 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000146729421 532299045 /nfs/dbraw/zinc/29/90/45/532299045.db2.gz NIDLBYDOKSHWGP-SDDRHHMPSA-N 1 2 391.877 2.024 20 5 GEBDLO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000146729421 532299046 /nfs/dbraw/zinc/29/90/46/532299046.db2.gz NIDLBYDOKSHWGP-SDDRHHMPSA-N 1 2 391.877 2.024 20 5 GEBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151156969 532307674 /nfs/dbraw/zinc/30/76/74/532307674.db2.gz BZQQFQRZFGJPJF-CYBMUJFWSA-N 1 2 383.813 2.485 20 5 GEBDLO Cn1cc(C[NH+]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)cn1 ZINC000425407039 532385675 /nfs/dbraw/zinc/38/56/75/532385675.db2.gz QKSGAALGGLUBSD-UHFFFAOYSA-N 1 2 394.273 2.409 20 5 GEBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597708272 532625665 /nfs/dbraw/zinc/62/56/65/532625665.db2.gz WQXBPWVZYWBVLU-CQSZACIVSA-N 1 2 398.257 2.294 20 5 GEBDLO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000267497864 532742035 /nfs/dbraw/zinc/74/20/35/532742035.db2.gz ZEJXBQUQMVLDBE-ABAIWWIYSA-N 1 2 398.257 2.150 20 5 GEBDLO Cc1c(Br)c(N2CCN(Cc3[nH+]ccn3C)CC2)ncc1[N+](=O)[O-] ZINC000542505332 532772967 /nfs/dbraw/zinc/77/29/67/532772967.db2.gz DOKFWVBQRMXDTD-UHFFFAOYSA-N 1 2 395.261 2.116 20 5 GEBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c(Cl)cc1Cl ZINC000289531041 532858024 /nfs/dbraw/zinc/85/80/24/532858024.db2.gz LXGUJPMBFGGSOB-UHFFFAOYSA-N 1 2 377.209 2.303 20 5 GEBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000291010280 532894788 /nfs/dbraw/zinc/89/47/88/532894788.db2.gz UPKHXODGABNGMF-DGCLKSJQSA-N 1 2 398.257 2.293 20 5 GEBDLO Cc1nc(C[N@@H+]2CCCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)oc1C ZINC000737476132 598672447 /nfs/dbraw/zinc/67/24/47/598672447.db2.gz DBCIPJRCXRGZMG-UHFFFAOYSA-N 1 2 398.427 2.092 20 5 GEBDLO Cc1nc(C[N@H+]2CCCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)oc1C ZINC000737476132 598672448 /nfs/dbraw/zinc/67/24/48/598672448.db2.gz DBCIPJRCXRGZMG-UHFFFAOYSA-N 1 2 398.427 2.092 20 5 GEBDLO Cc1[nH+]c2n(c1C)CCN(c1cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC000822461880 599512141 /nfs/dbraw/zinc/51/21/41/599512141.db2.gz BBPBIFIJMQTPTH-UHFFFAOYSA-N 1 2 391.395 2.157 20 5 GEBDLO Cc1c(Br)c(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000443998839 649931249 /nfs/dbraw/zinc/93/12/49/649931249.db2.gz XCJDVNIGTVRXBJ-SNVBAGLBSA-N 1 2 387.278 2.342 20 5 GEBDLO Cc1c(Br)c(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000443998839 649931252 /nfs/dbraw/zinc/93/12/52/649931252.db2.gz XCJDVNIGTVRXBJ-SNVBAGLBSA-N 1 2 387.278 2.342 20 5 GEBDLO C[C@H]1C[C@@H](O)C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449772564 650049653 /nfs/dbraw/zinc/04/96/53/650049653.db2.gz IGHBRKHUGGMOKM-TVQRCGJNSA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449772564 650049655 /nfs/dbraw/zinc/04/96/55/650049655.db2.gz IGHBRKHUGGMOKM-TVQRCGJNSA-N 1 2 376.194 2.402 20 5 GEBDLO COCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000267473982 645905625 /nfs/dbraw/zinc/90/56/25/645905625.db2.gz PQMIYZBSRPJFFH-NSHDSACASA-N 1 2 386.246 2.150 20 5 GEBDLO COCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000267473982 645905629 /nfs/dbraw/zinc/90/56/29/645905629.db2.gz PQMIYZBSRPJFFH-NSHDSACASA-N 1 2 386.246 2.150 20 5 GEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000288666237 646922607 /nfs/dbraw/zinc/92/26/07/646922607.db2.gz ALBHYSVKMHJYDU-YPMHNXCESA-N 1 2 398.257 2.293 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC000295445745 647232220 /nfs/dbraw/zinc/23/22/20/647232220.db2.gz PDARFFGLKGQAPZ-LLVKDONJSA-N 1 2 399.220 2.112 20 5 GEBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC000295445745 647232222 /nfs/dbraw/zinc/23/22/22/647232222.db2.gz PDARFFGLKGQAPZ-LLVKDONJSA-N 1 2 399.220 2.112 20 5 GEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000366821013 647706005 /nfs/dbraw/zinc/70/60/05/647706005.db2.gz PZCBMOZXIIOLMZ-SNVBAGLBSA-N 1 2 392.213 2.156 20 5 GEBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000377858959 647869968 /nfs/dbraw/zinc/86/99/68/647869968.db2.gz DLOWCUZAUWFFOJ-VIFPVBQESA-N 1 2 388.808 2.299 20 5 GEBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610059060 651641645 /nfs/dbraw/zinc/64/16/45/651641645.db2.gz DVBVSEVCJARJHE-CYBMUJFWSA-N 1 2 398.257 2.294 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000611083554 651705800 /nfs/dbraw/zinc/70/58/00/651705800.db2.gz GQHDFUAMFVWQNO-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000611083554 651705808 /nfs/dbraw/zinc/70/58/08/651705808.db2.gz GQHDFUAMFVWQNO-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO Cc1c(Br)c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000612444745 651757127 /nfs/dbraw/zinc/75/71/27/651757127.db2.gz MQVNVLOISQTLGP-DGCLKSJQSA-N 1 2 385.262 2.096 20 5 GEBDLO CC(C)[NH+]1CC(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000580282808 652373659 /nfs/dbraw/zinc/37/36/59/652373659.db2.gz HRGCUSSBVDAEHR-UHFFFAOYSA-N 1 2 389.193 2.022 20 5 GEBDLO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439200 652871999 /nfs/dbraw/zinc/87/19/99/652871999.db2.gz KIJIRPMCIBMAGV-UHFFFAOYSA-N 1 2 380.246 2.398 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000768560060 653117057 /nfs/dbraw/zinc/11/70/57/653117057.db2.gz AYLBGJLYKWYTER-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000768560060 653117061 /nfs/dbraw/zinc/11/70/61/653117061.db2.gz AYLBGJLYKWYTER-NXEZZACHSA-N 1 2 392.275 2.070 20 5 GEBDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000772063699 653138784 /nfs/dbraw/zinc/13/87/84/653138784.db2.gz UXUIHLSRHSKBGM-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000772063699 653138786 /nfs/dbraw/zinc/13/87/86/653138786.db2.gz UXUIHLSRHSKBGM-LLVKDONJSA-N 1 2 387.845 2.167 20 5 GEBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000809830437 653305496 /nfs/dbraw/zinc/30/54/96/653305496.db2.gz XRHGFZDHLGYKLT-UHFFFAOYSA-N 1 2 376.797 2.343 20 5 GEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874702696 653333198 /nfs/dbraw/zinc/33/31/98/653333198.db2.gz NLAXLWMTUOFMKK-LLVKDONJSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000874702696 653333206 /nfs/dbraw/zinc/33/32/06/653333206.db2.gz NLAXLWMTUOFMKK-LLVKDONJSA-N 1 2 386.246 2.198 20 5 GEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000857962156 653343961 /nfs/dbraw/zinc/34/39/61/653343961.db2.gz JONPZYRTMOSGGM-VIFPVBQESA-N 1 2 383.177 2.438 20 5 GEBDLO C[S@](=O)CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000815070970 653649721 /nfs/dbraw/zinc/64/97/21/653649721.db2.gz BKVGRTXJHNLFPC-VWLOTQADSA-N 1 2 379.404 2.110 20 5 GEBDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC12COC2 ZINC000839612103 653657683 /nfs/dbraw/zinc/65/76/83/653657683.db2.gz AZBARQKQFOTRJJ-GFCCVEGCSA-N 1 2 399.241 2.369 20 5 GEBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC12COC2 ZINC000839612103 653657684 /nfs/dbraw/zinc/65/76/84/653657684.db2.gz AZBARQKQFOTRJJ-GFCCVEGCSA-N 1 2 399.241 2.369 20 5 GEBDLO Cn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Br)n1 ZINC000862247168 653681471 /nfs/dbraw/zinc/68/14/71/653681471.db2.gz RYJNOKWZNMYHKB-NSHDSACASA-N 1 2 381.234 2.172 20 5 GEBDLO Cn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Br)n1 ZINC000862247168 653681473 /nfs/dbraw/zinc/68/14/73/653681473.db2.gz RYJNOKWZNMYHKB-NSHDSACASA-N 1 2 381.234 2.172 20 5 GEBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)n1 ZINC000817289253 653707761 /nfs/dbraw/zinc/70/77/61/653707761.db2.gz VWXMFQVDWDJJBP-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)n1 ZINC000817289253 653707763 /nfs/dbraw/zinc/70/77/63/653707763.db2.gz VWXMFQVDWDJJBP-UHFFFAOYSA-N 1 2 384.845 2.054 20 5 GEBDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CC12COC2 ZINC000824488964 653897246 /nfs/dbraw/zinc/89/72/46/653897246.db2.gz DILKBLABVKTUDG-GFCCVEGCSA-N 1 2 399.241 2.369 20 5 GEBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CC12COC2 ZINC000824488964 653897251 /nfs/dbraw/zinc/89/72/51/653897251.db2.gz DILKBLABVKTUDG-GFCCVEGCSA-N 1 2 399.241 2.369 20 5 GEBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000825709328 653938307 /nfs/dbraw/zinc/93/83/07/653938307.db2.gz TVEDXRQVOUMXIE-SECBINFHSA-N 1 2 380.202 2.495 20 5 GEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795904494 653976481 /nfs/dbraw/zinc/97/64/81/653976481.db2.gz RZVKFNAKPXRWMM-UWVGGRQHSA-N 1 2 379.841 2.491 20 5 GEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795904494 653976483 /nfs/dbraw/zinc/97/64/83/653976483.db2.gz RZVKFNAKPXRWMM-UWVGGRQHSA-N 1 2 379.841 2.491 20 5 GEBDLO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCCn2cc[nH+]c2)c1 ZINC000795920265 653977581 /nfs/dbraw/zinc/97/75/81/653977581.db2.gz XLROTYCIMPLYFZ-UHFFFAOYSA-N 1 2 376.797 2.343 20 5 GEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@@H+]1C1CC1 ZINC000798226768 654055422 /nfs/dbraw/zinc/05/54/22/654055422.db2.gz FISTXAIMMOPHJK-DTWKUNHWSA-N 1 2 377.825 2.291 20 5 GEBDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@H+]1C1CC1 ZINC000798226768 654055425 /nfs/dbraw/zinc/05/54/25/654055425.db2.gz FISTXAIMMOPHJK-DTWKUNHWSA-N 1 2 377.825 2.291 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934331999 654845149 /nfs/dbraw/zinc/84/51/49/654845149.db2.gz IANQJIBKKHVBCG-ZDUSSCGKSA-N 1 2 381.479 2.390 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934331999 654845150 /nfs/dbraw/zinc/84/51/50/654845150.db2.gz IANQJIBKKHVBCG-ZDUSSCGKSA-N 1 2 381.479 2.390 20 5 GEBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159382178 531780215 /nfs/dbraw/zinc/78/02/15/531780215.db2.gz MZZOXFPAGBWHNB-LLVKDONJSA-N 1 2 382.829 2.200 20 5 GEBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C2 ZINC000121336074 532023418 /nfs/dbraw/zinc/02/34/18/532023418.db2.gz SNIBSYMEVJQGJE-NSHDSACASA-N 1 2 384.845 2.355 20 5 GEBDLO C[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+]1CCOCC1 ZINC000121435908 532028150 /nfs/dbraw/zinc/02/81/50/532028150.db2.gz NOOINTWJLMYWCZ-WDEREUQCSA-N 1 2 386.246 2.196 20 5 GEBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1(C(N)=O)CCCC1 ZINC000180708562 532278479 /nfs/dbraw/zinc/27/84/79/532278479.db2.gz ZVWYOZMRCQNUOD-UHFFFAOYSA-N 1 2 399.245 2.026 20 5 GEBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1(C(N)=O)CCCC1 ZINC000180708562 532278481 /nfs/dbraw/zinc/27/84/81/532278481.db2.gz ZVWYOZMRCQNUOD-UHFFFAOYSA-N 1 2 399.245 2.026 20 5 GEBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136601029 532285871 /nfs/dbraw/zinc/28/58/71/532285871.db2.gz MJRBCNRFKJYQKV-MRXNPFEDSA-N 1 2 385.873 2.186 20 5 GEBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H](C)[NH+]1CCOCC1 ZINC000192347013 532403388 /nfs/dbraw/zinc/40/33/88/532403388.db2.gz DKZRYGZDJWLFBF-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H](C)[NH+]1CCOCC1 ZINC000192347004 532403557 /nfs/dbraw/zinc/40/35/57/532403557.db2.gz DKZRYGZDJWLFBF-GHMZBOCLSA-N 1 2 386.246 2.196 20 5 GEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000470457567 532529941 /nfs/dbraw/zinc/52/99/41/532529941.db2.gz FRRRXDWXUVGTMY-CQSZACIVSA-N 1 2 386.246 2.198 20 5 GEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000470457567 532529948 /nfs/dbraw/zinc/52/99/48/532529948.db2.gz FRRRXDWXUVGTMY-CQSZACIVSA-N 1 2 386.246 2.198 20 5 GEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000565273827 532555907 /nfs/dbraw/zinc/55/59/07/532555907.db2.gz MFSXRPLVDXOYDF-SNVBAGLBSA-N 1 2 390.177 2.194 20 5 GEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000565273827 532555910 /nfs/dbraw/zinc/55/59/10/532555910.db2.gz MFSXRPLVDXOYDF-SNVBAGLBSA-N 1 2 390.177 2.194 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284272235 532582403 /nfs/dbraw/zinc/58/24/03/532582403.db2.gz YGSUZESZUAUANM-LSDHHAIUSA-N 1 2 398.257 2.211 20 5 GEBDLO Cc1c(Br)cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284272235 532582412 /nfs/dbraw/zinc/58/24/12/532582412.db2.gz YGSUZESZUAUANM-LSDHHAIUSA-N 1 2 398.257 2.211 20 5 GEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599313669 532657572 /nfs/dbraw/zinc/65/75/72/532657572.db2.gz NOQRWMJCLVZBCS-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599313669 532657578 /nfs/dbraw/zinc/65/75/78/532657578.db2.gz NOQRWMJCLVZBCS-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000488669215 532701598 /nfs/dbraw/zinc/70/15/98/532701598.db2.gz OMYAYGBIGWJVCR-UHFFFAOYSA-N 1 2 384.361 2.236 20 5 GEBDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286099823 532728156 /nfs/dbraw/zinc/72/81/56/532728156.db2.gz URZOFOCFPUTZHC-LLVKDONJSA-N 1 2 377.413 2.167 20 5 GEBDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286099823 532728163 /nfs/dbraw/zinc/72/81/63/532728163.db2.gz URZOFOCFPUTZHC-LLVKDONJSA-N 1 2 377.413 2.167 20 5 GEBDLO C[C@H]1C[NH+]=C(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)S1 ZINC000301537440 532753035 /nfs/dbraw/zinc/75/30/35/532753035.db2.gz NAEIFKWWOPAMLH-VIFPVBQESA-N 1 2 386.275 2.366 20 5 GEBDLO Nc1ccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC000302780971 532773378 /nfs/dbraw/zinc/77/33/78/532773378.db2.gz RTJLQQXNFGKGOM-UHFFFAOYSA-N 1 2 376.316 2.478 20 5 GEBDLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412085154 532785598 /nfs/dbraw/zinc/78/55/98/532785598.db2.gz UDIJVGTYIKVFQZ-JTQLQIEISA-N 1 2 387.845 2.025 20 5 GEBDLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412085154 532785603 /nfs/dbraw/zinc/78/56/03/532785603.db2.gz UDIJVGTYIKVFQZ-JTQLQIEISA-N 1 2 387.845 2.025 20 5 GEBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000273739420 532833059 /nfs/dbraw/zinc/83/30/59/532833059.db2.gz LNCYOOUAWZODRS-LBPRGKRZSA-N 1 2 383.246 2.393 20 5 GEBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000273739420 532833061 /nfs/dbraw/zinc/83/30/61/532833061.db2.gz LNCYOOUAWZODRS-LBPRGKRZSA-N 1 2 383.246 2.393 20 5 GEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000416363443 532871556 /nfs/dbraw/zinc/87/15/56/532871556.db2.gz OSIOCNBZWVLBRP-UHFFFAOYSA-N 1 2 378.332 2.179 20 5 GEBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000370856235 532945620 /nfs/dbraw/zinc/94/56/20/532945620.db2.gz MIATTWJNZGPMKG-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000370856235 532945621 /nfs/dbraw/zinc/94/56/21/532945621.db2.gz MIATTWJNZGPMKG-LBPRGKRZSA-N 1 2 381.376 2.127 20 5 GEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000370493997 532943874 /nfs/dbraw/zinc/94/38/74/532943874.db2.gz ZWEMQCKCKSGEMT-SECBINFHSA-N 1 2 390.259 2.012 20 5 GEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1sc(Br)cc1[N+](=O)[O-] ZINC000370493997 532943875 /nfs/dbraw/zinc/94/38/75/532943875.db2.gz ZWEMQCKCKSGEMT-SECBINFHSA-N 1 2 390.259 2.012 20 5 GEBDLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000736821396 599251497 /nfs/dbraw/zinc/25/14/97/599251497.db2.gz FHHQBUBCHSNLBB-UHFFFAOYSA-N 1 2 391.395 2.123 20 5 GEBDLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000736821396 599251500 /nfs/dbraw/zinc/25/15/00/599251500.db2.gz FHHQBUBCHSNLBB-UHFFFAOYSA-N 1 2 391.395 2.123 20 5 GEBDLO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826499105 607450995 /nfs/dbraw/zinc/45/09/95/607450995.db2.gz VYTNWXHZSWECKP-QGZVFWFLSA-N 1 2 395.423 2.260 20 5 GEBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455397713 650302829 /nfs/dbraw/zinc/30/28/29/650302829.db2.gz GOWAELXKGNZBRR-CQSZACIVSA-N 1 2 399.245 2.342 20 5 GEBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455397713 650302833 /nfs/dbraw/zinc/30/28/33/650302833.db2.gz GOWAELXKGNZBRR-CQSZACIVSA-N 1 2 399.245 2.342 20 5 GEBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455399460 650302891 /nfs/dbraw/zinc/30/28/91/650302891.db2.gz KBJOKQPHDRVNRW-OKILXGFUSA-N 1 2 399.245 2.342 20 5 GEBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000455399460 650302894 /nfs/dbraw/zinc/30/28/94/650302894.db2.gz KBJOKQPHDRVNRW-OKILXGFUSA-N 1 2 399.245 2.342 20 5 GEBDLO Cc1nc(CC[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000507266530 650457849 /nfs/dbraw/zinc/45/78/49/650457849.db2.gz JFTWBHZYTTZGLQ-UHFFFAOYSA-N 1 2 398.217 2.162 20 5 GEBDLO Cc1nc(CC[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000507266530 650457852 /nfs/dbraw/zinc/45/78/52/650457852.db2.gz JFTWBHZYTTZGLQ-UHFFFAOYSA-N 1 2 398.217 2.162 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)C1 ZINC000511292654 650532340 /nfs/dbraw/zinc/53/23/40/650532340.db2.gz XPWFQDNYGGHPSX-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)[C@H](C)C1 ZINC000511292654 650532342 /nfs/dbraw/zinc/53/23/42/650532342.db2.gz XPWFQDNYGGHPSX-SNVBAGLBSA-N 1 2 381.376 2.328 20 5 GEBDLO C[C@@H]1COCC[N@@H+]1CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000511412349 650536435 /nfs/dbraw/zinc/53/64/35/650536435.db2.gz QHKOGAUCKSRRMR-LLVKDONJSA-N 1 2 395.257 2.460 20 5 GEBDLO C[C@@H]1COCC[N@H+]1CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000511412349 650536440 /nfs/dbraw/zinc/53/64/40/650536440.db2.gz QHKOGAUCKSRRMR-LLVKDONJSA-N 1 2 395.257 2.460 20 5 GEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)s1 ZINC000064245265 642871235 /nfs/dbraw/zinc/87/12/35/642871235.db2.gz IQXFOOWDVKDBHR-UHFFFAOYSA-N 1 2 378.435 2.380 20 5 GEBDLO CCN(C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000122589609 643659272 /nfs/dbraw/zinc/65/92/72/643659272.db2.gz XYDBMDWETFOOTI-UHFFFAOYSA-N 1 2 375.878 2.494 20 5 GEBDLO Cc1sc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000124937264 643694309 /nfs/dbraw/zinc/69/43/09/643694309.db2.gz YFCYYSZZCUCFAY-UHFFFAOYSA-N 1 2 380.451 2.442 20 5 GEBDLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000261863793 645606577 /nfs/dbraw/zinc/60/65/77/645606577.db2.gz RLOAUJKNXXHCIJ-LBPRGKRZSA-N 1 2 383.451 2.000 20 5 GEBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000267447052 645903299 /nfs/dbraw/zinc/90/32/99/645903299.db2.gz DTPJHSWGWGEMMW-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000267447052 645903308 /nfs/dbraw/zinc/90/33/08/645903308.db2.gz DTPJHSWGWGEMMW-UHFFFAOYSA-N 1 2 386.246 2.198 20 5 GEBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289306924 646930937 /nfs/dbraw/zinc/93/09/37/646930937.db2.gz JGMMTMWTKZGFRP-MRVPVSSYSA-N 1 2 379.225 2.465 20 5 GEBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000408084119 647923634 /nfs/dbraw/zinc/92/36/34/647923634.db2.gz MVFXBEYLGXFVTE-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000408084119 647923637 /nfs/dbraw/zinc/92/36/37/647923637.db2.gz MVFXBEYLGXFVTE-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[NH+](C)C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000558778991 651285223 /nfs/dbraw/zinc/28/52/23/651285223.db2.gz FDGOXYBDSFQXPU-ZDUSSCGKSA-N 1 2 384.845 2.224 20 5 GEBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000609150115 651611224 /nfs/dbraw/zinc/61/12/24/651611224.db2.gz NQRFCWIPERAGFT-SNVBAGLBSA-N 1 2 391.209 2.332 20 5 GEBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000609150115 651611228 /nfs/dbraw/zinc/61/12/28/651611228.db2.gz NQRFCWIPERAGFT-SNVBAGLBSA-N 1 2 391.209 2.332 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000611083535 651705195 /nfs/dbraw/zinc/70/51/95/651705195.db2.gz DHIQRGRHJRTJSA-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000611083535 651705201 /nfs/dbraw/zinc/70/52/01/651705201.db2.gz DHIQRGRHJRTJSA-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000611083719 651705939 /nfs/dbraw/zinc/70/59/39/651705939.db2.gz YRYOTVNCDKVPCX-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000611083719 651705942 /nfs/dbraw/zinc/70/59/42/651705942.db2.gz YRYOTVNCDKVPCX-JTQLQIEISA-N 1 2 381.376 2.328 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C ZINC000754046750 652425402 /nfs/dbraw/zinc/42/54/02/652425402.db2.gz JLJGFGPXSGTSKM-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C ZINC000754046750 652425404 /nfs/dbraw/zinc/42/54/04/652425404.db2.gz JLJGFGPXSGTSKM-SNVBAGLBSA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000584688733 652525458 /nfs/dbraw/zinc/52/54/58/652525458.db2.gz GEWDNGULHJUYHJ-ZANVPECISA-N 1 2 376.194 2.402 20 5 GEBDLO C[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000584688733 652525461 /nfs/dbraw/zinc/52/54/61/652525461.db2.gz GEWDNGULHJUYHJ-ZANVPECISA-N 1 2 376.194 2.402 20 5 GEBDLO O=[N+]([O-])c1cc(I)cc(CN2CCc3[nH+]c[nH]c3C2)c1 ZINC000599421668 652869982 /nfs/dbraw/zinc/86/99/82/652869982.db2.gz HYMLGLFWHXQFBE-UHFFFAOYSA-N 1 2 384.177 2.481 20 5 GEBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000766856179 652900749 /nfs/dbraw/zinc/90/07/49/652900749.db2.gz HNANGDWITRPHAU-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000766856179 652900755 /nfs/dbraw/zinc/90/07/55/652900755.db2.gz HNANGDWITRPHAU-UHFFFAOYSA-N 1 2 392.275 2.072 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600091834 652903104 /nfs/dbraw/zinc/90/31/04/652903104.db2.gz LLRAMZUHDVMJAY-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600091834 652903110 /nfs/dbraw/zinc/90/31/10/652903110.db2.gz LLRAMZUHDVMJAY-MNOVXSKESA-N 1 2 386.246 2.196 20 5 GEBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768564510 653118087 /nfs/dbraw/zinc/11/80/87/653118087.db2.gz ZTZDGBKRCOOYQW-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768564510 653118090 /nfs/dbraw/zinc/11/80/90/653118090.db2.gz ZTZDGBKRCOOYQW-VHSXEESVSA-N 1 2 392.275 2.070 20 5 GEBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815027219 653645465 /nfs/dbraw/zinc/64/54/65/653645465.db2.gz AXMMHNFKKGLYGG-UHFFFAOYSA-N 1 2 376.797 2.295 20 5 GEBDLO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCc2c[nH+]cn2C1 ZINC000881865232 653744669 /nfs/dbraw/zinc/74/46/69/653744669.db2.gz RKOHGSLPDIDEIB-LLVKDONJSA-N 1 2 379.214 2.433 20 5 GEBDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795765752 653965378 /nfs/dbraw/zinc/96/53/78/653965378.db2.gz BOYKKDYODRIOCP-UHFFFAOYSA-N 1 2 379.841 2.350 20 5 GEBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)C1 ZINC000796071269 653984378 /nfs/dbraw/zinc/98/43/78/653984378.db2.gz PYUGDYUZRJYAOO-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H](C)C1 ZINC000796071269 653984380 /nfs/dbraw/zinc/98/43/80/653984380.db2.gz PYUGDYUZRJYAOO-JTQLQIEISA-N 1 2 392.275 2.072 20 5 GEBDLO Cc1[nH+]c[nH]c1CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796881727 654011244 /nfs/dbraw/zinc/01/12/44/654011244.db2.gz RGWNBAMXBYNIOW-UHFFFAOYSA-N 1 2 382.218 2.141 20 5 GEBDLO COCC[N@H+](C)Cc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595826 654071747 /nfs/dbraw/zinc/07/17/47/654071747.db2.gz QRRBHQUWWNAYCV-UHFFFAOYSA-N 1 2 384.234 2.075 20 5 GEBDLO COCC[N@@H+](C)Cc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595826 654071751 /nfs/dbraw/zinc/07/17/51/654071751.db2.gz QRRBHQUWWNAYCV-UHFFFAOYSA-N 1 2 384.234 2.075 20 5 GEBDLO COCC[N@H+](C)Cc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640945 654073986 /nfs/dbraw/zinc/07/39/86/654073986.db2.gz IWYZWOKATJOSMN-UHFFFAOYSA-N 1 2 384.234 2.075 20 5 GEBDLO COCC[N@@H+](C)Cc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640945 654073988 /nfs/dbraw/zinc/07/39/88/654073988.db2.gz IWYZWOKATJOSMN-UHFFFAOYSA-N 1 2 384.234 2.075 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853590153 654306853 /nfs/dbraw/zinc/30/68/53/654306853.db2.gz MHDCUAJWDFRUCS-CMPLNLGQSA-N 1 2 396.241 2.239 20 5 GEBDLO O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853590153 654306857 /nfs/dbraw/zinc/30/68/57/654306857.db2.gz MHDCUAJWDFRUCS-CMPLNLGQSA-N 1 2 396.241 2.239 20 5 GEBDLO Cn1cc([C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC[NH2+]2)cn1 ZINC000913459482 654793309 /nfs/dbraw/zinc/79/33/09/654793309.db2.gz CMKYRTGMAWORCS-CYBMUJFWSA-N 1 2 384.223 2.422 20 5 GEBDLO