smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187147309 328004842 /nfs/dbraw/zinc/00/48/42/328004842.db2.gz PIXWIYIRYDPZCZ-LLVKDONJSA-N 1 2 353.338 2.372 10 5 FEBELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000164313897 327068296 /nfs/dbraw/zinc/06/82/96/327068296.db2.gz ABABANDBCUVLLC-UHFFFAOYSA-N 1 2 364.427 2.065 10 5 FEBELO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000173834436 327287727 /nfs/dbraw/zinc/28/77/27/327287727.db2.gz JCPQQQKVBADMSU-IAQYHMDHSA-N 1 2 353.806 2.041 10 5 FEBELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160185926 546015448 /nfs/dbraw/zinc/01/54/48/546015448.db2.gz CAVZQLNJZGZQSM-SNVBAGLBSA-N 1 2 362.308 2.066 10 5 FEBELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160185926 546015452 /nfs/dbraw/zinc/01/54/52/546015452.db2.gz CAVZQLNJZGZQSM-SNVBAGLBSA-N 1 2 362.308 2.066 10 5 FEBELO CC[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176073544 546401876 /nfs/dbraw/zinc/40/18/76/546401876.db2.gz MGZSCCUHFMMNHD-INIZCTEOSA-N 1 2 364.446 2.456 10 5 FEBELO CC[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176073544 546401881 /nfs/dbraw/zinc/40/18/81/546401881.db2.gz MGZSCCUHFMMNHD-INIZCTEOSA-N 1 2 364.446 2.456 10 5 FEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000179649632 546991419 /nfs/dbraw/zinc/99/14/19/546991419.db2.gz HCKWALNPONAGTG-ZBFHGGJFSA-N 1 2 361.442 2.313 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379199 541452109 /nfs/dbraw/zinc/45/21/09/541452109.db2.gz JZBZTRMKUXEXGL-RHSMWYFYSA-N 1 2 374.441 2.081 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379199 541452112 /nfs/dbraw/zinc/45/21/12/541452112.db2.gz JZBZTRMKUXEXGL-RHSMWYFYSA-N 1 2 374.441 2.081 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000103478221 543111395 /nfs/dbraw/zinc/11/13/95/543111395.db2.gz QVZFJPUMMFKNIT-AWEZNQCLSA-N 1 2 372.429 2.333 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000103478221 543111396 /nfs/dbraw/zinc/11/13/96/543111396.db2.gz QVZFJPUMMFKNIT-AWEZNQCLSA-N 1 2 372.429 2.333 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(C)c2[N+](=O)[O-])nc[nH+]1 ZINC000173414955 327254576 /nfs/dbraw/zinc/25/45/76/327254576.db2.gz LPNUIBHIGMTVBI-ZDUSSCGKSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(C)c2[N+](=O)[O-])[nH+]cn1 ZINC000173414955 327254578 /nfs/dbraw/zinc/25/45/78/327254578.db2.gz LPNUIBHIGMTVBI-ZDUSSCGKSA-N 1 2 370.413 2.134 10 5 FEBELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173626292 327272001 /nfs/dbraw/zinc/27/20/01/327272001.db2.gz QLEYJSVJTFTFEH-NWDGAFQWSA-N 1 2 358.402 2.200 10 5 FEBELO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000173834447 327287784 /nfs/dbraw/zinc/28/77/84/327287784.db2.gz JCPQQQKVBADMSU-XHDPSFHLSA-N 1 2 353.806 2.041 10 5 FEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246220198 549081794 /nfs/dbraw/zinc/08/17/94/549081794.db2.gz HOYJZJQQXHWIJM-CXAGYDPISA-N 1 2 356.382 2.470 10 5 FEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246220198 549081799 /nfs/dbraw/zinc/08/17/99/549081799.db2.gz HOYJZJQQXHWIJM-CXAGYDPISA-N 1 2 356.382 2.470 10 5 FEBELO O=[N+]([O-])c1ccc(CO)cc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000302024859 553698835 /nfs/dbraw/zinc/69/88/35/553698835.db2.gz HIXWTQWZKRLJJP-VQTJNVASSA-N 1 2 369.421 2.177 10 5 FEBELO O=[N+]([O-])c1ccc(CO)cc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000302024859 553698836 /nfs/dbraw/zinc/69/88/36/553698836.db2.gz HIXWTQWZKRLJJP-VQTJNVASSA-N 1 2 369.421 2.177 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000101564978 543033022 /nfs/dbraw/zinc/03/30/22/543033022.db2.gz OMWBSPHJQDJZHD-ZFWWWQNUSA-N 1 2 362.430 2.303 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000101564978 543033024 /nfs/dbraw/zinc/03/30/24/543033024.db2.gz OMWBSPHJQDJZHD-ZFWWWQNUSA-N 1 2 362.430 2.303 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000101565273 543033688 /nfs/dbraw/zinc/03/36/88/543033688.db2.gz YLDZNMPAWMWIKQ-CQSZACIVSA-N 1 2 362.430 2.222 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000101565273 543033691 /nfs/dbraw/zinc/03/36/91/543033691.db2.gz YLDZNMPAWMWIKQ-CQSZACIVSA-N 1 2 362.430 2.222 10 5 FEBELO Cc1noc([C@@H](C)N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000106131801 543205549 /nfs/dbraw/zinc/20/55/49/543205549.db2.gz FJIRNEJVTMCWKQ-CYBMUJFWSA-N 1 2 361.402 2.044 10 5 FEBELO O=C1[C@H]([NH+]2CCC(c3ccn[nH]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131730 543315301 /nfs/dbraw/zinc/31/53/01/543315301.db2.gz SZUQTMHAJIGKIH-QGZVFWFLSA-N 1 2 355.398 2.303 10 5 FEBELO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000182110096 327761239 /nfs/dbraw/zinc/76/12/39/327761239.db2.gz BYIBBWCDHMDXQS-NSHDSACASA-N 1 2 373.862 2.177 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000106370185 325595934 /nfs/dbraw/zinc/59/59/34/325595934.db2.gz RKGTXQPBVVJJBG-HNNXBMFYSA-N 1 2 374.441 2.250 10 5 FEBELO Cn1cc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000116313038 326005847 /nfs/dbraw/zinc/00/58/47/326005847.db2.gz QRXGYQMHLLETRK-LLVKDONJSA-N 1 2 363.805 2.410 10 5 FEBELO Cn1cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000116313038 326005850 /nfs/dbraw/zinc/00/58/50/326005850.db2.gz QRXGYQMHLLETRK-LLVKDONJSA-N 1 2 363.805 2.410 10 5 FEBELO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000173970526 327298893 /nfs/dbraw/zinc/29/88/93/327298893.db2.gz QOPDJEPQRDZURT-IAQYHMDHSA-N 1 2 353.806 2.041 10 5 FEBELO COC(=O)c1cnc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000276576119 330166587 /nfs/dbraw/zinc/16/65/87/330166587.db2.gz NXNALNCUHOWCGX-LBPRGKRZSA-N 1 2 357.370 2.110 10 5 FEBELO COC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181658841 547354284 /nfs/dbraw/zinc/35/42/84/547354284.db2.gz LDRLZIUFAFMAHT-AWEZNQCLSA-N 1 2 353.350 2.090 10 5 FEBELO COC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181658841 547354289 /nfs/dbraw/zinc/35/42/89/547354289.db2.gz LDRLZIUFAFMAHT-AWEZNQCLSA-N 1 2 353.350 2.090 10 5 FEBELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000195504922 548650761 /nfs/dbraw/zinc/65/07/61/548650761.db2.gz OJPCONUTHCTPCK-UHFFFAOYSA-N 1 2 355.398 2.087 10 5 FEBELO CCC(=O)N1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301187039 553629637 /nfs/dbraw/zinc/62/96/37/553629637.db2.gz PXWIYMQNBCRICN-UHFFFAOYSA-N 1 2 355.398 2.419 10 5 FEBELO Cc1cc(N[C@H](C)C(=O)N2CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301241396 553634491 /nfs/dbraw/zinc/63/44/91/553634491.db2.gz OLGMPNBCEMUOLC-CYBMUJFWSA-N 1 2 371.397 2.019 10 5 FEBELO Cc1cc(N2CCC[C@@H](CC(N)=O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000080700489 542602641 /nfs/dbraw/zinc/60/26/41/542602641.db2.gz MYXPCRHHEXHGLT-ZDUSSCGKSA-N 1 2 355.398 2.452 10 5 FEBELO Cc1noc([C@H](C)N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000106131804 543206023 /nfs/dbraw/zinc/20/60/23/543206023.db2.gz FJIRNEJVTMCWKQ-ZDUSSCGKSA-N 1 2 361.402 2.044 10 5 FEBELO Cc1nn(C)c(C)c1CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000106142362 543207663 /nfs/dbraw/zinc/20/76/63/543207663.db2.gz BTGHBIAPZLJSDF-UHFFFAOYSA-N 1 2 373.457 2.142 10 5 FEBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106157047 543210436 /nfs/dbraw/zinc/21/04/36/543210436.db2.gz DHNPOKFCPAKASI-UHFFFAOYSA-N 1 2 359.430 2.045 10 5 FEBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106157047 543210438 /nfs/dbraw/zinc/21/04/38/543210438.db2.gz DHNPOKFCPAKASI-UHFFFAOYSA-N 1 2 359.430 2.045 10 5 FEBELO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000134079869 544293653 /nfs/dbraw/zinc/29/36/53/544293653.db2.gz NOGHUBSVQIZDJV-GOSISDBHSA-N 1 2 373.384 2.225 10 5 FEBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000135662844 544358327 /nfs/dbraw/zinc/35/83/27/544358327.db2.gz ALOSZDRMRWJHSY-LBPRGKRZSA-N 1 2 353.444 2.157 10 5 FEBELO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000137313111 544388906 /nfs/dbraw/zinc/38/89/06/544388906.db2.gz JAPGURNWEZIENG-BXUZGUMPSA-N 1 2 353.806 2.041 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000112667151 325797887 /nfs/dbraw/zinc/79/78/87/325797887.db2.gz QDAWMBGNMVTHND-UHFFFAOYSA-N 1 2 357.414 2.449 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000173289502 327247344 /nfs/dbraw/zinc/24/73/44/327247344.db2.gz OLARIJUZIUTCJS-CQSZACIVSA-N 1 2 371.401 2.217 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000173289502 327247345 /nfs/dbraw/zinc/24/73/45/327247345.db2.gz OLARIJUZIUTCJS-CQSZACIVSA-N 1 2 371.401 2.217 10 5 FEBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000173731208 327279646 /nfs/dbraw/zinc/27/96/46/327279646.db2.gz RPTXUQAKPDPYEM-GFCCVEGCSA-N 1 2 370.818 2.298 10 5 FEBELO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175057135 327371215 /nfs/dbraw/zinc/37/12/15/327371215.db2.gz YIIHXIMKRSTSNF-NSHDSACASA-N 1 2 353.338 2.372 10 5 FEBELO CC[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000175790544 327413241 /nfs/dbraw/zinc/41/32/41/327413241.db2.gz CSVQMVPMSTYZRB-XJKSGUPXSA-N 1 2 350.419 2.066 10 5 FEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246307680 549102755 /nfs/dbraw/zinc/10/27/55/549102755.db2.gz YPUKFADQJDVVQP-SUMWQHHRSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246307680 549102756 /nfs/dbraw/zinc/10/27/56/549102756.db2.gz YPUKFADQJDVVQP-SUMWQHHRSA-N 1 2 356.382 2.470 10 5 FEBELO Cc1cc(NCC2(C(N)=O)CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301255972 553636152 /nfs/dbraw/zinc/63/61/52/553636152.db2.gz FKLGQLFGMIXAER-UHFFFAOYSA-N 1 2 371.397 2.054 10 5 FEBELO CCOC(=O)c1ccc(Nc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])cc1 ZINC000040645847 205073910 /nfs/dbraw/zinc/07/39/10/205073910.db2.gz HTLQGILVQHGHTE-UHFFFAOYSA-N 1 2 354.326 2.491 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000106372288 543227069 /nfs/dbraw/zinc/22/70/69/543227069.db2.gz XHJJNIQQECIDRP-UHFFFAOYSA-N 1 2 357.414 2.109 10 5 FEBELO CC(C)(C)n1cc(C[NH+]2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)cn1 ZINC000193412342 328374020 /nfs/dbraw/zinc/37/40/20/328374020.db2.gz JYQKKXHVVBPLPA-UHFFFAOYSA-N 1 2 358.446 2.451 10 5 FEBELO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000171651307 327151741 /nfs/dbraw/zinc/15/17/41/327151741.db2.gz USBGQCMIFIRDKM-AWEZNQCLSA-N 1 2 363.439 2.338 10 5 FEBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000175149932 327376865 /nfs/dbraw/zinc/37/68/65/327376865.db2.gz SWGTYEJEEXNRIX-CQSZACIVSA-N 1 2 364.427 2.261 10 5 FEBELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)s1 ZINC000183604940 547688646 /nfs/dbraw/zinc/68/86/46/547688646.db2.gz UOUQNGJRNFNUIN-UHFFFAOYSA-N 1 2 362.415 2.104 10 5 FEBELO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245402041 548907952 /nfs/dbraw/zinc/90/79/52/548907952.db2.gz GRBQAGKBRQWKTJ-GHMZBOCLSA-N 1 2 369.805 2.460 10 5 FEBELO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245402041 548907956 /nfs/dbraw/zinc/90/79/56/548907956.db2.gz GRBQAGKBRQWKTJ-GHMZBOCLSA-N 1 2 369.805 2.460 10 5 FEBELO O=C(CC[N@@H+]1CCO[C@H](c2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103478806 543111098 /nfs/dbraw/zinc/11/10/98/543111098.db2.gz KFAJOVPEKKSUPF-AWEZNQCLSA-N 1 2 362.411 2.453 10 5 FEBELO O=C(CC[N@H+]1CCO[C@H](c2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103478806 543111102 /nfs/dbraw/zinc/11/11/02/543111102.db2.gz KFAJOVPEKKSUPF-AWEZNQCLSA-N 1 2 362.411 2.453 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000109662492 543333459 /nfs/dbraw/zinc/33/34/59/543333459.db2.gz IILHAEVQMVHFIJ-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000109662492 543333463 /nfs/dbraw/zinc/33/34/63/543333463.db2.gz IILHAEVQMVHFIJ-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000080279783 325126276 /nfs/dbraw/zinc/12/62/76/325126276.db2.gz MEVHREPSBWIDCX-UHFFFAOYSA-N 1 2 354.363 2.020 10 5 FEBELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000110943654 325696963 /nfs/dbraw/zinc/69/69/63/325696963.db2.gz JBYPXRYYKPFXHN-UHFFFAOYSA-N 1 2 360.439 2.247 10 5 FEBELO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4cncn4)C3)n2)cc1 ZINC000171705819 327156365 /nfs/dbraw/zinc/15/63/65/327156365.db2.gz XVOUMGSRCDUFBP-AWEZNQCLSA-N 1 2 355.358 2.073 10 5 FEBELO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](n4cncn4)C3)n2)cc1 ZINC000171705819 327156367 /nfs/dbraw/zinc/15/63/67/327156367.db2.gz XVOUMGSRCDUFBP-AWEZNQCLSA-N 1 2 355.358 2.073 10 5 FEBELO Cc1nn(C)c(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000173941338 327296101 /nfs/dbraw/zinc/29/61/01/327296101.db2.gz NHBXTESWULASNK-LLVKDONJSA-N 1 2 354.370 2.313 10 5 FEBELO CSc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173967788 327298506 /nfs/dbraw/zinc/29/85/06/327298506.db2.gz VKYHHQJISTVBQC-DOMZBBRYSA-N 1 2 365.455 2.109 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000175196418 327379214 /nfs/dbraw/zinc/37/92/14/327379214.db2.gz GDQJQEVGJGDQTO-UHFFFAOYSA-N 1 2 373.457 2.435 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000175196418 327379216 /nfs/dbraw/zinc/37/92/16/327379216.db2.gz GDQJQEVGJGDQTO-UHFFFAOYSA-N 1 2 373.457 2.435 10 5 FEBELO CC[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176073560 546401193 /nfs/dbraw/zinc/40/11/93/546401193.db2.gz MGZSCCUHFMMNHD-MRXNPFEDSA-N 1 2 364.446 2.456 10 5 FEBELO CC[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176073560 546401197 /nfs/dbraw/zinc/40/11/97/546401197.db2.gz MGZSCCUHFMMNHD-MRXNPFEDSA-N 1 2 364.446 2.456 10 5 FEBELO CN(C)Nc1[nH+]cnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-] ZINC000040628691 205073940 /nfs/dbraw/zinc/07/39/40/205073940.db2.gz JONDSCIZJZAXSE-UHFFFAOYSA-N 1 2 354.168 2.174 10 5 FEBELO CN(C(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154626279 544929263 /nfs/dbraw/zinc/92/92/63/544929263.db2.gz WPMATVIYONDKRA-QGZVFWFLSA-N 1 2 356.382 2.106 10 5 FEBELO CN(C(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154626279 544929266 /nfs/dbraw/zinc/92/92/66/544929266.db2.gz WPMATVIYONDKRA-QGZVFWFLSA-N 1 2 356.382 2.106 10 5 FEBELO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000171407372 327137601 /nfs/dbraw/zinc/13/76/01/327137601.db2.gz SDAQLQUHFBJIKQ-AWEZNQCLSA-N 1 2 373.413 2.488 10 5 FEBELO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000171407372 327137603 /nfs/dbraw/zinc/13/76/03/327137603.db2.gz SDAQLQUHFBJIKQ-AWEZNQCLSA-N 1 2 373.413 2.488 10 5 FEBELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000173658391 327274072 /nfs/dbraw/zinc/27/40/72/327274072.db2.gz OGVAYTQSUWPTJY-UHFFFAOYSA-N 1 2 360.439 2.247 10 5 FEBELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114203009 543507297 /nfs/dbraw/zinc/50/72/97/543507297.db2.gz XMJRKYPAJGDZRO-INIZCTEOSA-N 1 2 355.398 2.434 10 5 FEBELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114203009 543507299 /nfs/dbraw/zinc/50/72/99/543507299.db2.gz XMJRKYPAJGDZRO-INIZCTEOSA-N 1 2 355.398 2.434 10 5 FEBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000247780556 549381180 /nfs/dbraw/zinc/38/11/80/549381180.db2.gz RVYVUICPDOSWPM-UONOGXRCSA-N 1 2 358.402 2.159 10 5 FEBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000247780556 549381185 /nfs/dbraw/zinc/38/11/85/549381185.db2.gz RVYVUICPDOSWPM-UONOGXRCSA-N 1 2 358.402 2.159 10 5 FEBELO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@H]1n1cc[nH+]c1 ZINC000301780067 553678635 /nfs/dbraw/zinc/67/86/35/553678635.db2.gz ILBRHONAKQLDCR-IUODEOHRSA-N 1 2 364.427 2.282 10 5 FEBELO Cc1noc([C@@H](C)N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000106131906 543206654 /nfs/dbraw/zinc/20/66/54/543206654.db2.gz MVSSDCVZHUSCFS-CYBMUJFWSA-N 1 2 361.402 2.044 10 5 FEBELO Cc1noc([C@H](C)N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000106131909 543206729 /nfs/dbraw/zinc/20/67/29/543206729.db2.gz MVSSDCVZHUSCFS-ZDUSSCGKSA-N 1 2 361.402 2.044 10 5 FEBELO COc1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000106154952 543209201 /nfs/dbraw/zinc/20/92/01/543209201.db2.gz ZPKRETSPWDRPNL-UHFFFAOYSA-N 1 2 359.430 2.045 10 5 FEBELO COc1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000106154952 543209203 /nfs/dbraw/zinc/20/92/03/543209203.db2.gz ZPKRETSPWDRPNL-UHFFFAOYSA-N 1 2 359.430 2.045 10 5 FEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152557930 544668100 /nfs/dbraw/zinc/66/81/00/544668100.db2.gz DTPVTXGPPGGJIJ-HIFRSBDPSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152557930 544668105 /nfs/dbraw/zinc/66/81/05/544668105.db2.gz DTPVTXGPPGGJIJ-HIFRSBDPSA-N 1 2 356.382 2.470 10 5 FEBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000120948748 326301354 /nfs/dbraw/zinc/30/13/54/326301354.db2.gz TXFVCVSKMORYKB-AWEZNQCLSA-N 1 2 365.455 2.254 10 5 FEBELO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171705356 327156318 /nfs/dbraw/zinc/15/63/18/327156318.db2.gz DTZNBSITEAXETQ-LBPRGKRZSA-N 1 2 364.793 2.115 10 5 FEBELO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171705356 327156320 /nfs/dbraw/zinc/15/63/20/327156320.db2.gz DTZNBSITEAXETQ-LBPRGKRZSA-N 1 2 364.793 2.115 10 5 FEBELO CSc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173967815 327298492 /nfs/dbraw/zinc/29/84/92/327298492.db2.gz VKYHHQJISTVBQC-IUODEOHRSA-N 1 2 365.455 2.109 10 5 FEBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000175149951 327376779 /nfs/dbraw/zinc/37/67/79/327376779.db2.gz SWGTYEJEEXNRIX-AWEZNQCLSA-N 1 2 364.427 2.261 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245201114 548900222 /nfs/dbraw/zinc/90/02/22/548900222.db2.gz OMWBSPHJQDJZHD-UKRRQHHQSA-N 1 2 362.430 2.303 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245201114 548900223 /nfs/dbraw/zinc/90/02/23/548900223.db2.gz OMWBSPHJQDJZHD-UKRRQHHQSA-N 1 2 362.430 2.303 10 5 FEBELO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000302024858 553698621 /nfs/dbraw/zinc/69/86/21/553698621.db2.gz HIXWTQWZKRLJJP-UXHICEINSA-N 1 2 369.421 2.177 10 5 FEBELO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000302024858 553698623 /nfs/dbraw/zinc/69/86/23/553698623.db2.gz HIXWTQWZKRLJJP-UXHICEINSA-N 1 2 369.421 2.177 10 5 FEBELO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000106096000 543195683 /nfs/dbraw/zinc/19/56/83/543195683.db2.gz QTXMXVCILWVDGE-HXUWFJFHSA-N 1 2 371.437 2.325 10 5 FEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154628657 544930797 /nfs/dbraw/zinc/93/07/97/544930797.db2.gz YOROMZBAQKSGBV-INIZCTEOSA-N 1 2 356.382 2.390 10 5 FEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154628657 544930801 /nfs/dbraw/zinc/93/08/01/544930801.db2.gz YOROMZBAQKSGBV-INIZCTEOSA-N 1 2 356.382 2.390 10 5 FEBELO O=C(C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154683698 544937163 /nfs/dbraw/zinc/93/71/63/544937163.db2.gz AHKODANNNFNMLT-QGZVFWFLSA-N 1 2 368.393 2.032 10 5 FEBELO O=C(C[N@H+]1CC[C@@H](Oc2cccnc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154683698 544937170 /nfs/dbraw/zinc/93/71/70/544937170.db2.gz AHKODANNNFNMLT-QGZVFWFLSA-N 1 2 368.393 2.032 10 5 FEBELO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000191912440 328288300 /nfs/dbraw/zinc/28/83/00/328288300.db2.gz MTKKYBXPOZXMQK-CQSZACIVSA-N 1 2 364.427 2.261 10 5 FEBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000121092563 326312663 /nfs/dbraw/zinc/31/26/63/326312663.db2.gz LHOSEOJSQCIUEW-CQSZACIVSA-N 1 2 357.357 2.103 10 5 FEBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000121092563 326312664 /nfs/dbraw/zinc/31/26/64/326312664.db2.gz LHOSEOJSQCIUEW-CQSZACIVSA-N 1 2 357.357 2.103 10 5 FEBELO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000121092563 326312666 /nfs/dbraw/zinc/31/26/66/326312666.db2.gz LHOSEOJSQCIUEW-CQSZACIVSA-N 1 2 357.357 2.103 10 5 FEBELO CCOC(=O)c1ccnc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000133781316 326614865 /nfs/dbraw/zinc/61/48/65/326614865.db2.gz WXUGCEHVFGHRRB-ZDUSSCGKSA-N 1 2 371.397 2.500 10 5 FEBELO COC(=O)c1cnc(N2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000276576116 330166400 /nfs/dbraw/zinc/16/64/00/330166400.db2.gz NXNALNCUHOWCGX-GFCCVEGCSA-N 1 2 357.370 2.110 10 5 FEBELO CC(C)CN(CC(C)C)c1ncnc(N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040610382 535037748 /nfs/dbraw/zinc/03/77/48/535037748.db2.gz CLKKRLBIDLYTTH-UHFFFAOYSA-N 1 2 350.467 2.255 10 5 FEBELO CCOc1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000183333203 547640599 /nfs/dbraw/zinc/64/05/99/547640599.db2.gz DGOJVOGMGLAXAW-UHFFFAOYSA-N 1 2 357.414 2.414 10 5 FEBELO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125466770 672011987 /nfs/dbraw/zinc/01/19/87/672011987.db2.gz YAHZDHMRNXJLFL-GFCCVEGCSA-N 1 2 373.862 2.415 10 5 FEBELO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000125466770 672011993 /nfs/dbraw/zinc/01/19/93/672011993.db2.gz YAHZDHMRNXJLFL-GFCCVEGCSA-N 1 2 373.862 2.415 10 5 FEBELO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000077169855 542349951 /nfs/dbraw/zinc/34/99/51/542349951.db2.gz DAXCJRAMONQESV-FZMZJTMJSA-N 1 2 359.386 2.306 10 5 FEBELO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000077169855 542349954 /nfs/dbraw/zinc/34/99/54/542349954.db2.gz DAXCJRAMONQESV-FZMZJTMJSA-N 1 2 359.386 2.306 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092708383 542883565 /nfs/dbraw/zinc/88/35/65/542883565.db2.gz PUGCPWWIGMFBBH-AWEZNQCLSA-N 1 2 365.430 2.493 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092708383 542883567 /nfs/dbraw/zinc/88/35/67/542883567.db2.gz PUGCPWWIGMFBBH-AWEZNQCLSA-N 1 2 365.430 2.493 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000106370707 543226441 /nfs/dbraw/zinc/22/64/41/543226441.db2.gz MJACCDHISWYEIT-UHFFFAOYSA-N 1 2 371.441 2.473 10 5 FEBELO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126182070 543922474 /nfs/dbraw/zinc/92/24/74/543922474.db2.gz ILBRHONAKQLDCR-WFASDCNBSA-N 1 2 364.427 2.282 10 5 FEBELO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000152184684 544623098 /nfs/dbraw/zinc/62/30/98/544623098.db2.gz SGEUOCUNHHBCDA-ZDUSSCGKSA-N 1 2 372.429 2.413 10 5 FEBELO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000170662621 327091964 /nfs/dbraw/zinc/09/19/64/327091964.db2.gz HLTYDAJWWJZMPM-GFCCVEGCSA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000170662621 327091965 /nfs/dbraw/zinc/09/19/65/327091965.db2.gz HLTYDAJWWJZMPM-GFCCVEGCSA-N 1 2 359.835 2.107 10 5 FEBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173733079 327279787 /nfs/dbraw/zinc/27/97/87/327279787.db2.gz ZLZLONBYDASVNL-HNNXBMFYSA-N 1 2 364.427 2.207 10 5 FEBELO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000177234985 546575954 /nfs/dbraw/zinc/57/59/54/546575954.db2.gz IQYPKBULGGJGPN-ABAIWWIYSA-N 1 2 368.821 2.433 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000182241831 547459105 /nfs/dbraw/zinc/45/91/05/547459105.db2.gz HSPOGNPCQHLVJS-CQSZACIVSA-N 1 2 374.441 2.250 10 5 FEBELO COCC[N@@H+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247269491 549309491 /nfs/dbraw/zinc/30/94/91/549309491.db2.gz ZJDQZNMNQXLNQQ-KGLIPLIRSA-N 1 2 367.471 2.255 10 5 FEBELO COCC[N@H+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247269491 549309494 /nfs/dbraw/zinc/30/94/94/549309494.db2.gz ZJDQZNMNQXLNQQ-KGLIPLIRSA-N 1 2 367.471 2.255 10 5 FEBELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000066835047 541377430 /nfs/dbraw/zinc/37/74/30/541377430.db2.gz BWLYJNVBIMYUAC-SNVBAGLBSA-N 1 2 355.778 2.072 10 5 FEBELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000066835047 541377434 /nfs/dbraw/zinc/37/74/34/541377434.db2.gz BWLYJNVBIMYUAC-SNVBAGLBSA-N 1 2 355.778 2.072 10 5 FEBELO O=C(CC[N@@H+]1CCO[C@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000103478800 543111199 /nfs/dbraw/zinc/11/11/99/543111199.db2.gz RLRRQWBSLLSBHR-AWEZNQCLSA-N 1 2 362.411 2.453 10 5 FEBELO O=C(CC[N@H+]1CCO[C@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000103478800 543111203 /nfs/dbraw/zinc/11/12/03/543111203.db2.gz RLRRQWBSLLSBHR-AWEZNQCLSA-N 1 2 362.411 2.453 10 5 FEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082924 543192475 /nfs/dbraw/zinc/19/24/75/543192475.db2.gz XACYNQOVNVJVEM-ZDUSSCGKSA-N 1 2 370.413 2.288 10 5 FEBELO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000113323984 543483755 /nfs/dbraw/zinc/48/37/55/543483755.db2.gz ANVXAMPRGSOVJY-UHFFFAOYSA-N 1 2 366.418 2.109 10 5 FEBELO C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000245838007 549001707 /nfs/dbraw/zinc/00/17/07/549001707.db2.gz HJWBKQRIYGEDPT-KBXCAEBGSA-N 1 2 372.425 2.402 10 5 FEBELO CCOCC[N@@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000150726988 672151820 /nfs/dbraw/zinc/15/18/20/672151820.db2.gz BGXLDJAPJLCZKO-CYBMUJFWSA-N 1 2 353.394 2.225 10 5 FEBELO CCOCC[N@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000150726988 672151824 /nfs/dbraw/zinc/15/18/24/672151824.db2.gz BGXLDJAPJLCZKO-CYBMUJFWSA-N 1 2 353.394 2.225 10 5 FEBELO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000182856869 672455162 /nfs/dbraw/zinc/45/51/62/672455162.db2.gz UYCOSBNQIGQKSC-JTQLQIEISA-N 1 2 353.375 2.232 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379200 541452014 /nfs/dbraw/zinc/45/20/14/541452014.db2.gz JZBZTRMKUXEXGL-WMLDXEAASA-N 1 2 374.441 2.081 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379200 541452019 /nfs/dbraw/zinc/45/20/19/541452019.db2.gz JZBZTRMKUXEXGL-WMLDXEAASA-N 1 2 374.441 2.081 10 5 FEBELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000173339752 327250623 /nfs/dbraw/zinc/25/06/23/327250623.db2.gz CVJBTRKUNKHCAH-UHFFFAOYSA-N 1 2 372.429 2.333 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2C)nc[nH+]1 ZINC000173424010 327255489 /nfs/dbraw/zinc/25/54/89/327255489.db2.gz DBLXGBKGUFQGTG-CYBMUJFWSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2C)[nH+]cn1 ZINC000173424010 327255490 /nfs/dbraw/zinc/25/54/90/327255490.db2.gz DBLXGBKGUFQGTG-CYBMUJFWSA-N 1 2 370.413 2.134 10 5 FEBELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173626267 327272037 /nfs/dbraw/zinc/27/20/37/327272037.db2.gz QLEYJSVJTFTFEH-RYUDHWBXSA-N 1 2 358.402 2.200 10 5 FEBELO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1C ZINC000173728769 327279518 /nfs/dbraw/zinc/27/95/18/327279518.db2.gz YSGXXYROCPUSAX-AWEZNQCLSA-N 1 2 364.427 2.261 10 5 FEBELO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000173970501 327298752 /nfs/dbraw/zinc/29/87/52/327298752.db2.gz QOPDJEPQRDZURT-ABAIWWIYSA-N 1 2 353.806 2.041 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000262481719 549823443 /nfs/dbraw/zinc/82/34/43/549823443.db2.gz KOGOUMVZFNFHSW-OAHLLOKOSA-N 1 2 365.430 2.364 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000262481719 549823444 /nfs/dbraw/zinc/82/34/44/549823444.db2.gz KOGOUMVZFNFHSW-OAHLLOKOSA-N 1 2 365.430 2.364 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262481719 549823445 /nfs/dbraw/zinc/82/34/45/549823445.db2.gz KOGOUMVZFNFHSW-OAHLLOKOSA-N 1 2 365.430 2.364 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262481719 549823446 /nfs/dbraw/zinc/82/34/46/549823446.db2.gz KOGOUMVZFNFHSW-OAHLLOKOSA-N 1 2 365.430 2.364 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000112669712 543456487 /nfs/dbraw/zinc/45/64/87/543456487.db2.gz MJPPDKIYFIMMPW-UHFFFAOYSA-N 1 2 358.398 2.415 10 5 FEBELO CC(C)c1nc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCCC2)no1 ZINC000090551166 325362525 /nfs/dbraw/zinc/36/25/25/325362525.db2.gz DKNZSIOMLXDYGG-UHFFFAOYSA-N 1 2 361.402 2.322 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000112667466 325797780 /nfs/dbraw/zinc/79/77/80/325797780.db2.gz LLYUWCYLEGPDDV-UHFFFAOYSA-N 1 2 361.377 2.372 10 5 FEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000173826344 327286967 /nfs/dbraw/zinc/28/69/67/327286967.db2.gz QHPQWQUACFEBCY-LRDDRELGSA-N 1 2 365.455 2.109 10 5 FEBELO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000194605216 548504050 /nfs/dbraw/zinc/50/40/50/548504050.db2.gz PIDLSWNOKDQXNF-GOSISDBHSA-N 1 2 369.421 2.395 10 5 FEBELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000106141971 543207726 /nfs/dbraw/zinc/20/77/26/543207726.db2.gz CJUFZSHFCCAXKP-UHFFFAOYSA-N 1 2 361.421 2.402 10 5 FEBELO O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154696036 544938811 /nfs/dbraw/zinc/93/88/11/544938811.db2.gz OHQCBWHJSGEQCU-KRWDZBQOSA-N 1 2 368.393 2.032 10 5 FEBELO O=C(C[N@H+]1CC[C@H](Oc2cccnc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154696036 544938814 /nfs/dbraw/zinc/93/88/14/544938814.db2.gz OHQCBWHJSGEQCU-KRWDZBQOSA-N 1 2 368.393 2.032 10 5 FEBELO O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000188137264 328068876 /nfs/dbraw/zinc/06/88/76/328068876.db2.gz ICZKDHIEQGVJRB-KBPBESRZSA-N 1 2 361.423 2.303 10 5 FEBELO O=C(C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000188137264 328068877 /nfs/dbraw/zinc/06/88/77/328068877.db2.gz ICZKDHIEQGVJRB-KBPBESRZSA-N 1 2 361.423 2.303 10 5 FEBELO CCn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000190769616 328231707 /nfs/dbraw/zinc/23/17/07/328231707.db2.gz YXQCABFHARSQRU-QGZVFWFLSA-N 1 2 373.413 2.213 10 5 FEBELO CCn1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000190769616 328231709 /nfs/dbraw/zinc/23/17/09/328231709.db2.gz YXQCABFHARSQRU-QGZVFWFLSA-N 1 2 373.413 2.213 10 5 FEBELO CSc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000188178598 328071567 /nfs/dbraw/zinc/07/15/67/328071567.db2.gz KAHMERWNRROROY-OCCSQVGLSA-N 1 2 365.455 2.109 10 5 FEBELO CC[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000175548019 327398768 /nfs/dbraw/zinc/39/87/68/327398768.db2.gz VLMWJYFWKVGEAP-MRXNPFEDSA-N 1 2 364.446 2.456 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(C)cccc2[N+](=O)[O-])nc[nH+]1 ZINC000194772107 548529553 /nfs/dbraw/zinc/52/95/53/548529553.db2.gz SKSAFFMXKPIDAZ-CYBMUJFWSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(C)cccc2[N+](=O)[O-])[nH+]cn1 ZINC000194772107 548529556 /nfs/dbraw/zinc/52/95/56/548529556.db2.gz SKSAFFMXKPIDAZ-CYBMUJFWSA-N 1 2 370.413 2.134 10 5 FEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246207197 549078011 /nfs/dbraw/zinc/07/80/11/549078011.db2.gz DTPVTXGPPGGJIJ-DZGCQCFKSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246207197 549078015 /nfs/dbraw/zinc/07/80/15/549078015.db2.gz DTPVTXGPPGGJIJ-DZGCQCFKSA-N 1 2 356.382 2.470 10 5 FEBELO Cc1cc(N(C)CC[NH+]2CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301228071 553633254 /nfs/dbraw/zinc/63/32/54/553633254.db2.gz HUHUXVLDFKBVIY-UHFFFAOYSA-N 1 2 357.414 2.129 10 5 FEBELO COc1ccc(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000106185198 543214498 /nfs/dbraw/zinc/21/44/98/543214498.db2.gz LTHRJRTWSBZTJJ-UHFFFAOYSA-N 1 2 373.413 2.151 10 5 FEBELO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000110031872 543347174 /nfs/dbraw/zinc/34/71/74/543347174.db2.gz OLPPWPANIDNRLR-GOSISDBHSA-N 1 2 370.409 2.478 10 5 FEBELO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000114203284 543507270 /nfs/dbraw/zinc/50/72/70/543507270.db2.gz RELOYGWGVGCQBS-HNNXBMFYSA-N 1 2 359.386 2.492 10 5 FEBELO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000114203284 543507273 /nfs/dbraw/zinc/50/72/73/543507273.db2.gz RELOYGWGVGCQBS-HNNXBMFYSA-N 1 2 359.386 2.492 10 5 FEBELO Cc1nn(C)c(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000173941325 327296029 /nfs/dbraw/zinc/29/60/29/327296029.db2.gz NHBXTESWULASNK-NSHDSACASA-N 1 2 354.370 2.313 10 5 FEBELO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000177235001 327508685 /nfs/dbraw/zinc/50/86/85/327508685.db2.gz IQYPKBULGGJGPN-NHYWBVRUSA-N 1 2 368.821 2.433 10 5 FEBELO CC[N@@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000110261095 670848609 /nfs/dbraw/zinc/84/86/09/670848609.db2.gz YYTMPKUAJUQNSE-SNVBAGLBSA-N 1 2 363.386 2.487 10 5 FEBELO CC[N@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000110261095 670848613 /nfs/dbraw/zinc/84/86/13/670848613.db2.gz YYTMPKUAJUQNSE-SNVBAGLBSA-N 1 2 363.386 2.487 10 5 FEBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000135662819 544358124 /nfs/dbraw/zinc/35/81/24/544358124.db2.gz ALOSZDRMRWJHSY-GFCCVEGCSA-N 1 2 353.444 2.157 10 5 FEBELO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000194605200 328431808 /nfs/dbraw/zinc/43/18/08/328431808.db2.gz PIDLSWNOKDQXNF-SFHVURJKSA-N 1 2 369.421 2.395 10 5 FEBELO CCC(=O)N1CCN(c2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301203362 553630528 /nfs/dbraw/zinc/63/05/28/553630528.db2.gz XSNRMGZXZLYTLI-UHFFFAOYSA-N 1 2 355.398 2.419 10 5 FEBELO Cc1cc(NCc2ccc[nH+]c2N2CCC[C@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000301444481 553652249 /nfs/dbraw/zinc/65/22/49/553652249.db2.gz QJIAOACHWXCGJW-AWEZNQCLSA-N 1 2 370.413 2.007 10 5 FEBELO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC000106096001 543195480 /nfs/dbraw/zinc/19/54/80/543195480.db2.gz QTXMXVCILWVDGE-FQEVSTJZSA-N 1 2 371.437 2.325 10 5 FEBELO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000106224301 543220135 /nfs/dbraw/zinc/22/01/35/543220135.db2.gz CAEZMXJQJPJRGN-AWEZNQCLSA-N 1 2 373.413 2.384 10 5 FEBELO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000106224301 543220138 /nfs/dbraw/zinc/22/01/38/543220138.db2.gz CAEZMXJQJPJRGN-AWEZNQCLSA-N 1 2 373.413 2.384 10 5 FEBELO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000109645586 543330207 /nfs/dbraw/zinc/33/02/07/543330207.db2.gz YEFNKUUNQLVJPJ-GOSISDBHSA-N 1 2 373.384 2.225 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cn1 ZINC000109662987 543333067 /nfs/dbraw/zinc/33/30/67/543333067.db2.gz XGQYKEGLYRXQIS-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cn1 ZINC000109662987 543333069 /nfs/dbraw/zinc/33/30/69/543333069.db2.gz XGQYKEGLYRXQIS-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000124283870 543811785 /nfs/dbraw/zinc/81/17/85/543811785.db2.gz JPCXRZRKRLYXLT-SNVBAGLBSA-N 1 2 361.320 2.064 10 5 FEBELO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000124283692 543811878 /nfs/dbraw/zinc/81/18/78/543811878.db2.gz JPCXRZRKRLYXLT-JTQLQIEISA-N 1 2 361.320 2.064 10 5 FEBELO CS(=O)(=O)c1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000126180670 543922320 /nfs/dbraw/zinc/92/23/20/543922320.db2.gz DDMVMLPPKYBJPW-AWEZNQCLSA-N 1 2 363.395 2.051 10 5 FEBELO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000191912451 328288504 /nfs/dbraw/zinc/28/85/04/328288504.db2.gz MTKKYBXPOZXMQK-AWEZNQCLSA-N 1 2 364.427 2.261 10 5 FEBELO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171705314 327156226 /nfs/dbraw/zinc/15/62/26/327156226.db2.gz YWKHYAYKFDYSIP-GFCCVEGCSA-N 1 2 364.793 2.115 10 5 FEBELO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171705314 327156228 /nfs/dbraw/zinc/15/62/28/327156228.db2.gz YWKHYAYKFDYSIP-GFCCVEGCSA-N 1 2 364.793 2.115 10 5 FEBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173965542 327298249 /nfs/dbraw/zinc/29/82/49/327298249.db2.gz MYYQTLVIUOIVDJ-IAQYHMDHSA-N 1 2 353.806 2.041 10 5 FEBELO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000173967476 327298555 /nfs/dbraw/zinc/29/85/55/327298555.db2.gz DOKCCTXMLOBXHD-NHYWBVRUSA-N 1 2 353.806 2.041 10 5 FEBELO C[NH+](C)C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000123682505 543776356 /nfs/dbraw/zinc/77/63/56/543776356.db2.gz VIYPYPWTPSUGEP-AWEZNQCLSA-N 1 2 367.402 2.315 10 5 FEBELO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1Cl ZINC000124997224 543855104 /nfs/dbraw/zinc/85/51/04/543855104.db2.gz PGYZSGBYHMIKIF-NSHDSACASA-N 1 2 369.805 2.310 10 5 FEBELO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[N@H+](C3CC3)CCO2)cc1Cl ZINC000124997224 543855106 /nfs/dbraw/zinc/85/51/06/543855106.db2.gz PGYZSGBYHMIKIF-NSHDSACASA-N 1 2 369.805 2.310 10 5 FEBELO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000191644108 328275269 /nfs/dbraw/zinc/27/52/69/328275269.db2.gz SJPCPGYLFILUBE-LBPRGKRZSA-N 1 2 354.370 2.488 10 5 FEBELO CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090561067 325363707 /nfs/dbraw/zinc/36/37/07/325363707.db2.gz OLXGTPGTFZCQFI-VBQJREDUSA-N 1 2 364.446 2.454 10 5 FEBELO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000171409127 327137529 /nfs/dbraw/zinc/13/75/29/327137529.db2.gz FHMAFGDMYFDIQV-CYBMUJFWSA-N 1 2 359.386 2.179 10 5 FEBELO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000171409127 327137531 /nfs/dbraw/zinc/13/75/31/327137531.db2.gz FHMAFGDMYFDIQV-CYBMUJFWSA-N 1 2 359.386 2.179 10 5 FEBELO Cc1cc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000171813789 327163105 /nfs/dbraw/zinc/16/31/05/327163105.db2.gz ROHGOLLOJDWHRQ-IBGZPJMESA-N 1 2 369.421 2.395 10 5 FEBELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000173629056 327272307 /nfs/dbraw/zinc/27/23/07/327272307.db2.gz DRUJLTMXGXSLPX-NEPJUHHUSA-N 1 2 358.402 2.200 10 5 FEBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173982669 327299880 /nfs/dbraw/zinc/29/98/80/327299880.db2.gz QPVPBFHYFWLGIE-XHDPSFHLSA-N 1 2 353.806 2.041 10 5 FEBELO CC[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000175772211 546347838 /nfs/dbraw/zinc/34/78/38/546347838.db2.gz JVJBOYDZLMQTPW-CZUORRHYSA-N 1 2 350.419 2.066 10 5 FEBELO CC[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176121706 546410683 /nfs/dbraw/zinc/41/06/83/546410683.db2.gz RPZSETBSCCYIMN-MRXNPFEDSA-N 1 2 364.446 2.456 10 5 FEBELO CC[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176121706 546410686 /nfs/dbraw/zinc/41/06/86/546410686.db2.gz RPZSETBSCCYIMN-MRXNPFEDSA-N 1 2 364.446 2.456 10 5 FEBELO CC[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176121691 546411043 /nfs/dbraw/zinc/41/10/43/546411043.db2.gz RPZSETBSCCYIMN-INIZCTEOSA-N 1 2 364.446 2.456 10 5 FEBELO CC[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176121691 546411046 /nfs/dbraw/zinc/41/10/46/546411046.db2.gz RPZSETBSCCYIMN-INIZCTEOSA-N 1 2 364.446 2.456 10 5 FEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000179649607 546991445 /nfs/dbraw/zinc/99/14/45/546991445.db2.gz HCKWALNPONAGTG-GDBMZVCRSA-N 1 2 361.442 2.313 10 5 FEBELO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000106224298 543220245 /nfs/dbraw/zinc/22/02/45/543220245.db2.gz CAEZMXJQJPJRGN-CQSZACIVSA-N 1 2 373.413 2.384 10 5 FEBELO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000106224298 543220247 /nfs/dbraw/zinc/22/02/47/543220247.db2.gz CAEZMXJQJPJRGN-CQSZACIVSA-N 1 2 373.413 2.384 10 5 FEBELO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000110031873 543346770 /nfs/dbraw/zinc/34/67/70/543346770.db2.gz OLPPWPANIDNRLR-SFHVURJKSA-N 1 2 370.409 2.478 10 5 FEBELO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000137313029 544388827 /nfs/dbraw/zinc/38/88/27/544388827.db2.gz JAPGURNWEZIENG-RISCZKNCSA-N 1 2 353.806 2.041 10 5 FEBELO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000109645588 325672135 /nfs/dbraw/zinc/67/21/35/325672135.db2.gz YEFNKUUNQLVJPJ-SFHVURJKSA-N 1 2 373.384 2.225 10 5 FEBELO CCOc1ccc(NC(=O)C[NH+]2CCC([C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000111289057 325712286 /nfs/dbraw/zinc/71/22/86/325712286.db2.gz SGHPSYXBZCIQAY-LBPRGKRZSA-N 1 2 351.403 2.025 10 5 FEBELO Cn1cc([C@@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000116319115 326007277 /nfs/dbraw/zinc/00/72/77/326007277.db2.gz ZAEQWDXISVPQCQ-LLVKDONJSA-N 1 2 363.805 2.410 10 5 FEBELO Cn1cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000116319115 326007279 /nfs/dbraw/zinc/00/72/79/326007279.db2.gz ZAEQWDXISVPQCQ-LLVKDONJSA-N 1 2 363.805 2.410 10 5 FEBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1C ZINC000121056985 326309752 /nfs/dbraw/zinc/30/97/52/326309752.db2.gz ZAJGZCPJHOTBMB-AWEZNQCLSA-N 1 2 364.427 2.261 10 5 FEBELO COc1ccc(NC(=O)C[NH+]2CCC(c3ccnn3C)CC2)c([N+](=O)[O-])c1 ZINC000195503640 548650149 /nfs/dbraw/zinc/65/01/49/548650149.db2.gz WAVVKCZBVKNCPH-UHFFFAOYSA-N 1 2 373.413 2.155 10 5 FEBELO C[NH+](C)Cc1cc2cc([N+](=O)[O-])cnc2n1S(=O)(=O)c1ccccc1 ZINC000095937175 542983604 /nfs/dbraw/zinc/98/36/04/542983604.db2.gz SOMZQWAOXKUGLL-UHFFFAOYSA-N 1 2 360.395 2.243 10 5 FEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082580 543192244 /nfs/dbraw/zinc/19/22/44/543192244.db2.gz HYHVLZPXEFYHBL-CYBMUJFWSA-N 1 2 370.413 2.288 10 5 FEBELO Cc1nn(C)c(C)c1CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000106142105 543207917 /nfs/dbraw/zinc/20/79/17/543207917.db2.gz SVXWQGZHWJWOKO-UHFFFAOYSA-N 1 2 373.457 2.142 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000112670228 543456406 /nfs/dbraw/zinc/45/64/06/543456406.db2.gz WSOIBPPSMIZLOL-UHFFFAOYSA-N 1 2 358.398 2.415 10 5 FEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000154628773 544930690 /nfs/dbraw/zinc/93/06/90/544930690.db2.gz YOROMZBAQKSGBV-MRXNPFEDSA-N 1 2 356.382 2.390 10 5 FEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000154628773 544930694 /nfs/dbraw/zinc/93/06/94/544930694.db2.gz YOROMZBAQKSGBV-MRXNPFEDSA-N 1 2 356.382 2.390 10 5 FEBELO CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000152184766 326701095 /nfs/dbraw/zinc/70/10/95/326701095.db2.gz SGEUOCUNHHBCDA-CYBMUJFWSA-N 1 2 372.429 2.413 10 5 FEBELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155396395 326786856 /nfs/dbraw/zinc/78/68/56/326786856.db2.gz YYCOBKYROQYGRM-UHFFFAOYSA-N 1 2 372.429 2.333 10 5 FEBELO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173931156 327295599 /nfs/dbraw/zinc/29/55/99/327295599.db2.gz BSBVQHMUHHCYED-LBPRGKRZSA-N 1 2 354.370 2.163 10 5 FEBELO Cn1cc(CN2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cn1 ZINC000177056660 546534561 /nfs/dbraw/zinc/53/45/61/546534561.db2.gz FXQHLMFZHQFDGJ-UHFFFAOYSA-N 1 2 370.413 2.177 10 5 FEBELO Cn1cc(CN2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cn1 ZINC000177056660 546534564 /nfs/dbraw/zinc/53/45/64/546534564.db2.gz FXQHLMFZHQFDGJ-UHFFFAOYSA-N 1 2 370.413 2.177 10 5 FEBELO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249756205 549626204 /nfs/dbraw/zinc/62/62/04/549626204.db2.gz KFPZZFLTMLPVFC-LBPRGKRZSA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249756205 549626207 /nfs/dbraw/zinc/62/62/07/549626207.db2.gz KFPZZFLTMLPVFC-LBPRGKRZSA-N 1 2 359.835 2.107 10 5 FEBELO Cc1ccnc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000301646069 553668444 /nfs/dbraw/zinc/66/84/44/553668444.db2.gz NWAWWEQUSQETPP-IRXDYDNUSA-N 1 2 354.410 2.388 10 5 FEBELO Cc1ccnc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000301646069 553668446 /nfs/dbraw/zinc/66/84/46/553668446.db2.gz NWAWWEQUSQETPP-IRXDYDNUSA-N 1 2 354.410 2.388 10 5 FEBELO CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090561073 542786348 /nfs/dbraw/zinc/78/63/48/542786348.db2.gz OLXGTPGTFZCQFI-KEYYUXOJSA-N 1 2 364.446 2.454 10 5 FEBELO Cc1cc(C)n(C[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000106199989 543216522 /nfs/dbraw/zinc/21/65/22/543216522.db2.gz JNBAWBNFDPVEAK-INIZCTEOSA-N 1 2 360.414 2.188 10 5 FEBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000106199989 543216524 /nfs/dbraw/zinc/21/65/24/543216524.db2.gz JNBAWBNFDPVEAK-INIZCTEOSA-N 1 2 360.414 2.188 10 5 FEBELO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000114203281 543507631 /nfs/dbraw/zinc/50/76/31/543507631.db2.gz RELOYGWGVGCQBS-OAHLLOKOSA-N 1 2 359.386 2.492 10 5 FEBELO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000114203281 543507632 /nfs/dbraw/zinc/50/76/32/543507632.db2.gz RELOYGWGVGCQBS-OAHLLOKOSA-N 1 2 359.386 2.492 10 5 FEBELO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000191789218 328281750 /nfs/dbraw/zinc/28/17/50/328281750.db2.gz NPUGRUZURVONLN-CQSZACIVSA-N 1 2 364.427 2.261 10 5 FEBELO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000079506258 325094375 /nfs/dbraw/zinc/09/43/75/325094375.db2.gz ZFXPVXLDUGEXAU-JTQLQIEISA-N 1 2 361.320 2.064 10 5 FEBELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000172044124 327177507 /nfs/dbraw/zinc/17/75/07/327177507.db2.gz YWFFZIUVPVRZST-UHFFFAOYSA-N 1 2 372.429 2.295 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2C)nc[nH+]1 ZINC000173411741 327254288 /nfs/dbraw/zinc/25/42/88/327254288.db2.gz PVTMGSBVPUNIHF-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2C)[nH+]cn1 ZINC000173411741 327254289 /nfs/dbraw/zinc/25/42/89/327254289.db2.gz PVTMGSBVPUNIHF-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173629082 327272317 /nfs/dbraw/zinc/27/23/17/327272317.db2.gz DRUJLTMXGXSLPX-VXGBXAGGSA-N 1 2 358.402 2.200 10 5 FEBELO CSc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173967830 327298509 /nfs/dbraw/zinc/29/85/09/327298509.db2.gz VKYHHQJISTVBQC-SWLSCSKDSA-N 1 2 365.455 2.109 10 5 FEBELO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175057158 327371377 /nfs/dbraw/zinc/37/13/77/327371377.db2.gz YIIHXIMKRSTSNF-LLVKDONJSA-N 1 2 353.338 2.372 10 5 FEBELO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000245838011 549001965 /nfs/dbraw/zinc/00/19/65/549001965.db2.gz HJWBKQRIYGEDPT-RDTXWAMCSA-N 1 2 372.425 2.402 10 5 FEBELO C[NH+]1CCN(C(=O)c2csc(COc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000040402630 211744484 /nfs/dbraw/zinc/74/44/84/211744484.db2.gz BHCRFRCNXBCNPR-UHFFFAOYSA-N 1 2 362.411 2.018 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000101564977 543033229 /nfs/dbraw/zinc/03/32/29/543033229.db2.gz OMWBSPHJQDJZHD-DZGCQCFKSA-N 1 2 362.430 2.303 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000101564977 543033233 /nfs/dbraw/zinc/03/32/33/543033233.db2.gz OMWBSPHJQDJZHD-DZGCQCFKSA-N 1 2 362.430 2.303 10 5 FEBELO Cc1nn(C)c(C)c1CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106142055 543207898 /nfs/dbraw/zinc/20/78/98/543207898.db2.gz VLXCHKJIAMZFAG-UHFFFAOYSA-N 1 2 373.457 2.142 10 5 FEBELO O=C(C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154695936 544938979 /nfs/dbraw/zinc/93/89/79/544938979.db2.gz OHQCBWHJSGEQCU-QGZVFWFLSA-N 1 2 368.393 2.032 10 5 FEBELO O=C(C[N@H+]1CC[C@@H](Oc2cccnc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000154695936 544938983 /nfs/dbraw/zinc/93/89/83/544938983.db2.gz OHQCBWHJSGEQCU-QGZVFWFLSA-N 1 2 368.393 2.032 10 5 FEBELO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173776329 327283260 /nfs/dbraw/zinc/28/32/60/327283260.db2.gz YBZLQEIOFLQKNP-GFCCVEGCSA-N 1 2 354.794 2.187 10 5 FEBELO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000255520618 549706257 /nfs/dbraw/zinc/70/62/57/549706257.db2.gz DAXCJRAMONQESV-BXUZGUMPSA-N 1 2 359.386 2.306 10 5 FEBELO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000255520618 549706261 /nfs/dbraw/zinc/70/62/61/549706261.db2.gz DAXCJRAMONQESV-BXUZGUMPSA-N 1 2 359.386 2.306 10 5 FEBELO O=C(CC[N@@H+]1CCO[C@@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000103478803 543110815 /nfs/dbraw/zinc/11/08/15/543110815.db2.gz RLRRQWBSLLSBHR-CQSZACIVSA-N 1 2 362.411 2.453 10 5 FEBELO O=C(CC[N@H+]1CCO[C@@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000103478803 543110817 /nfs/dbraw/zinc/11/08/17/543110817.db2.gz RLRRQWBSLLSBHR-CQSZACIVSA-N 1 2 362.411 2.453 10 5 FEBELO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000137313159 544388983 /nfs/dbraw/zinc/38/89/83/544388983.db2.gz JAPGURNWEZIENG-SMDDNHRTSA-N 1 2 353.806 2.041 10 5 FEBELO Cc1ncc(C[NH+]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000137040422 544383300 /nfs/dbraw/zinc/38/33/00/544383300.db2.gz CHOWQLZLZOATCN-KRWDZBQOSA-N 1 2 362.455 2.211 10 5 FEBELO Cc1ncc(CN2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000137040422 544383302 /nfs/dbraw/zinc/38/33/02/544383302.db2.gz CHOWQLZLZOATCN-KRWDZBQOSA-N 1 2 362.455 2.211 10 5 FEBELO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000190645773 328221536 /nfs/dbraw/zinc/22/15/36/328221536.db2.gz DKIWKKBNAKRUGV-OAHLLOKOSA-N 1 2 370.409 2.290 10 5 FEBELO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000190645773 328221537 /nfs/dbraw/zinc/22/15/37/328221537.db2.gz DKIWKKBNAKRUGV-OAHLLOKOSA-N 1 2 370.409 2.290 10 5 FEBELO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000191644124 328275395 /nfs/dbraw/zinc/27/53/95/328275395.db2.gz SJPCPGYLFILUBE-GFCCVEGCSA-N 1 2 354.370 2.488 10 5 FEBELO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000171407381 327137666 /nfs/dbraw/zinc/13/76/66/327137666.db2.gz CGCUBNCAWOYRIR-CQSZACIVSA-N 1 2 373.413 2.488 10 5 FEBELO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000171407381 327137668 /nfs/dbraw/zinc/13/76/68/327137668.db2.gz CGCUBNCAWOYRIR-CQSZACIVSA-N 1 2 373.413 2.488 10 5 FEBELO O=[N+]([O-])c1cc(-c2nnc(C[NH+]3CCSCC3)o2)cc([N+](=O)[O-])c1 ZINC000020428823 539674469 /nfs/dbraw/zinc/67/44/69/539674469.db2.gz OOFRNRBLVUZOEE-UHFFFAOYSA-N 1 2 351.344 2.102 10 5 FEBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000056058435 540698170 /nfs/dbraw/zinc/69/81/70/540698170.db2.gz MFLOJNMUOCXAMS-GFCCVEGCSA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000056058435 540698174 /nfs/dbraw/zinc/69/81/74/540698174.db2.gz MFLOJNMUOCXAMS-GFCCVEGCSA-N 1 2 359.835 2.107 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000103478226 543111341 /nfs/dbraw/zinc/11/13/41/543111341.db2.gz BPWAHMCPCFXOBH-CQSZACIVSA-N 1 2 372.429 2.333 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000103478226 543111342 /nfs/dbraw/zinc/11/13/42/543111342.db2.gz BPWAHMCPCFXOBH-CQSZACIVSA-N 1 2 372.429 2.333 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000106370187 543226377 /nfs/dbraw/zinc/22/63/77/543226377.db2.gz RKGTXQPBVVJJBG-OAHLLOKOSA-N 1 2 374.441 2.250 10 5 FEBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC([C@H](C)O)CC1 ZINC000111289072 543392885 /nfs/dbraw/zinc/39/28/85/543392885.db2.gz HLMBDOPCHHPGGN-RYUDHWBXSA-N 1 2 351.403 2.023 10 5 FEBELO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1Cl ZINC000124997050 543855410 /nfs/dbraw/zinc/85/54/10/543855410.db2.gz PGYZSGBYHMIKIF-LLVKDONJSA-N 1 2 369.805 2.310 10 5 FEBELO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1Cl ZINC000124997050 543855412 /nfs/dbraw/zinc/85/54/12/543855412.db2.gz PGYZSGBYHMIKIF-LLVKDONJSA-N 1 2 369.805 2.310 10 5 FEBELO CN(C)c1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc[nH+]1 ZINC000129127497 544092344 /nfs/dbraw/zinc/09/23/44/544092344.db2.gz BEIFUCHEUHJMPC-UHFFFAOYSA-N 1 2 356.429 2.133 10 5 FEBELO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000131195057 326570000 /nfs/dbraw/zinc/57/00/00/326570000.db2.gz KUXCRDOMFDMYFJ-CYBMUJFWSA-N 1 2 373.331 2.160 10 5 FEBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)o2)cc1 ZINC000171704718 327156383 /nfs/dbraw/zinc/15/63/83/327156383.db2.gz LIJFKWGJCFZMSW-CQSZACIVSA-N 1 2 355.358 2.073 10 5 FEBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](n4cncn4)C3)o2)cc1 ZINC000171704718 327156384 /nfs/dbraw/zinc/15/63/84/327156384.db2.gz LIJFKWGJCFZMSW-CQSZACIVSA-N 1 2 355.358 2.073 10 5 FEBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1C ZINC000173729294 327279687 /nfs/dbraw/zinc/27/96/87/327279687.db2.gz OOUUMXPCDBMNKC-CQSZACIVSA-N 1 2 364.427 2.261 10 5 FEBELO CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090561069 325363971 /nfs/dbraw/zinc/36/39/71/325363971.db2.gz OLXGTPGTFZCQFI-CPUCHLNUSA-N 1 2 364.446 2.454 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc([N+](=O)[O-])c2C)nc[nH+]1 ZINC000173423993 327255523 /nfs/dbraw/zinc/25/55/23/327255523.db2.gz DBLXGBKGUFQGTG-ZDUSSCGKSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc([N+](=O)[O-])c2C)[nH+]cn1 ZINC000173423993 327255524 /nfs/dbraw/zinc/25/55/24/327255524.db2.gz DBLXGBKGUFQGTG-ZDUSSCGKSA-N 1 2 370.413 2.134 10 5 FEBELO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000173967456 327298403 /nfs/dbraw/zinc/29/84/03/327298403.db2.gz DOKCCTXMLOBXHD-ABAIWWIYSA-N 1 2 353.806 2.041 10 5 FEBELO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180577394 547134666 /nfs/dbraw/zinc/13/46/66/547134666.db2.gz XPQUCSSNPMQKMC-NSHDSACASA-N 1 2 352.354 2.249 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103477800 543111067 /nfs/dbraw/zinc/11/10/67/543111067.db2.gz SUTFTJXQCSGTHK-KBPBESRZSA-N 1 2 372.429 2.413 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103477800 543111070 /nfs/dbraw/zinc/11/10/70/543111070.db2.gz SUTFTJXQCSGTHK-KBPBESRZSA-N 1 2 372.429 2.413 10 5 FEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082365 325577586 /nfs/dbraw/zinc/57/75/86/325577586.db2.gz DVCKLGDUYSKKDV-UHFFFAOYSA-N 1 2 370.413 2.208 10 5 FEBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173982637 327299790 /nfs/dbraw/zinc/29/97/90/327299790.db2.gz QPVPBFHYFWLGIE-ABAIWWIYSA-N 1 2 353.806 2.041 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245198264 548899399 /nfs/dbraw/zinc/89/93/99/548899399.db2.gz IXDLCDUXJDHHEK-HIFRSBDPSA-N 1 2 362.430 2.303 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245198264 548899401 /nfs/dbraw/zinc/89/94/01/548899401.db2.gz IXDLCDUXJDHHEK-HIFRSBDPSA-N 1 2 362.430 2.303 10 5 FEBELO Cc1cc(N[C@H]2CC(=O)N(C(C)C)C2=O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301480809 553654766 /nfs/dbraw/zinc/65/47/66/553654766.db2.gz DMQKCYWUXDEGHD-AWEZNQCLSA-N 1 2 369.381 2.308 10 5 FEBELO CC[N@@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000110261092 670848470 /nfs/dbraw/zinc/84/84/70/670848470.db2.gz YYTMPKUAJUQNSE-JTQLQIEISA-N 1 2 363.386 2.487 10 5 FEBELO CC[N@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000110261092 670848472 /nfs/dbraw/zinc/84/84/72/670848472.db2.gz YYTMPKUAJUQNSE-JTQLQIEISA-N 1 2 363.386 2.487 10 5 FEBELO Cc1cc(NCC[NH+]2CCN(C(=O)C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000080606751 542597277 /nfs/dbraw/zinc/59/72/77/542597277.db2.gz NSXHXFYQBQHADZ-UHFFFAOYSA-N 1 2 361.446 2.045 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000101565284 543033103 /nfs/dbraw/zinc/03/31/03/543033103.db2.gz HXXBPCDRFXCIQF-CQSZACIVSA-N 1 2 362.430 2.222 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000101565284 543033106 /nfs/dbraw/zinc/03/31/06/543033106.db2.gz HXXBPCDRFXCIQF-CQSZACIVSA-N 1 2 362.430 2.222 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000112667876 543456391 /nfs/dbraw/zinc/45/63/91/543456391.db2.gz BITDIXZKAVMJED-UHFFFAOYSA-N 1 2 358.398 2.415 10 5 FEBELO COCC[N@@H+]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000117293955 543628262 /nfs/dbraw/zinc/62/82/62/543628262.db2.gz ZJDQZNMNQXLNQQ-UONOGXRCSA-N 1 2 367.471 2.255 10 5 FEBELO COCC[N@H+]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000117293955 543628263 /nfs/dbraw/zinc/62/82/63/543628263.db2.gz ZJDQZNMNQXLNQQ-UONOGXRCSA-N 1 2 367.471 2.255 10 5 FEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152557868 544667450 /nfs/dbraw/zinc/66/74/50/544667450.db2.gz DTPVTXGPPGGJIJ-ZFWWWQNUSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152557868 544667453 /nfs/dbraw/zinc/66/74/53/544667453.db2.gz DTPVTXGPPGGJIJ-ZFWWWQNUSA-N 1 2 356.382 2.470 10 5 FEBELO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173728736 327279447 /nfs/dbraw/zinc/27/94/47/327279447.db2.gz AHAYPFAMSMKHRO-LBPRGKRZSA-N 1 2 370.818 2.298 10 5 FEBELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000066836029 541377364 /nfs/dbraw/zinc/37/73/64/541377364.db2.gz YMMJBVIDCUZQJZ-SNVBAGLBSA-N 1 2 355.778 2.072 10 5 FEBELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000066836029 541377367 /nfs/dbraw/zinc/37/73/67/541377367.db2.gz YMMJBVIDCUZQJZ-SNVBAGLBSA-N 1 2 355.778 2.072 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092708382 542883938 /nfs/dbraw/zinc/88/39/38/542883938.db2.gz PUGCPWWIGMFBBH-CQSZACIVSA-N 1 2 365.430 2.493 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092708382 542883941 /nfs/dbraw/zinc/88/39/41/542883941.db2.gz PUGCPWWIGMFBBH-CQSZACIVSA-N 1 2 365.430 2.493 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000103478228 543110835 /nfs/dbraw/zinc/11/08/35/543110835.db2.gz BPWAHMCPCFXOBH-AWEZNQCLSA-N 1 2 372.429 2.333 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000103478228 543110837 /nfs/dbraw/zinc/11/08/37/543110837.db2.gz BPWAHMCPCFXOBH-AWEZNQCLSA-N 1 2 372.429 2.333 10 5 FEBELO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000106143671 543208115 /nfs/dbraw/zinc/20/81/15/543208115.db2.gz AEPFZJZCMHCIND-UHFFFAOYSA-N 1 2 373.457 2.272 10 5 FEBELO CCOc1cc(C)nc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000106154181 543209364 /nfs/dbraw/zinc/20/93/64/543209364.db2.gz HVWBAQKSVHSDGP-UHFFFAOYSA-N 1 2 357.414 2.414 10 5 FEBELO Cc1cc(C)n(C[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000106199876 543216753 /nfs/dbraw/zinc/21/67/53/543216753.db2.gz FIRQWBWQUNADAB-SFHVURJKSA-N 1 2 360.414 2.188 10 5 FEBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000106199876 543216756 /nfs/dbraw/zinc/21/67/56/543216756.db2.gz FIRQWBWQUNADAB-SFHVURJKSA-N 1 2 360.414 2.188 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106225701 543219934 /nfs/dbraw/zinc/21/99/34/543219934.db2.gz VRMDTEXLGZQOBZ-HNNXBMFYSA-N 1 2 373.413 2.384 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106225701 543219938 /nfs/dbraw/zinc/21/99/38/543219938.db2.gz VRMDTEXLGZQOBZ-HNNXBMFYSA-N 1 2 373.413 2.384 10 5 FEBELO C[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000182110115 327761288 /nfs/dbraw/zinc/76/12/88/327761288.db2.gz BYIBBWCDHMDXQS-LLVKDONJSA-N 1 2 373.862 2.177 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000101565274 543033357 /nfs/dbraw/zinc/03/33/57/543033357.db2.gz YLDZNMPAWMWIKQ-AWEZNQCLSA-N 1 2 362.430 2.222 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000101565274 543033359 /nfs/dbraw/zinc/03/33/59/543033359.db2.gz YLDZNMPAWMWIKQ-AWEZNQCLSA-N 1 2 362.430 2.222 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103478301 543110841 /nfs/dbraw/zinc/11/08/41/543110841.db2.gz MTYNVXHEQKJQQE-CYBMUJFWSA-N 1 2 358.402 2.024 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103478301 543110844 /nfs/dbraw/zinc/11/08/44/543110844.db2.gz MTYNVXHEQKJQQE-CYBMUJFWSA-N 1 2 358.402 2.024 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)cn1 ZINC000109661434 543333505 /nfs/dbraw/zinc/33/35/05/543333505.db2.gz XJVKYKNESHRAEQ-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)cn1 ZINC000109661434 543333508 /nfs/dbraw/zinc/33/35/08/543333508.db2.gz XJVKYKNESHRAEQ-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO Cc1ncc(C[NH+]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000137040471 544383647 /nfs/dbraw/zinc/38/36/47/544383647.db2.gz CHOWQLZLZOATCN-QGZVFWFLSA-N 1 2 362.455 2.211 10 5 FEBELO Cc1ncc(CN2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000137040471 544383648 /nfs/dbraw/zinc/38/36/48/544383648.db2.gz CHOWQLZLZOATCN-QGZVFWFLSA-N 1 2 362.455 2.211 10 5 FEBELO CC[C@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090522458 325362281 /nfs/dbraw/zinc/36/22/81/325362281.db2.gz JVJBOYDZLMQTPW-CJNGLKHVSA-N 1 2 350.419 2.066 10 5 FEBELO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000090551171 325362679 /nfs/dbraw/zinc/36/26/79/325362679.db2.gz IZIGLIKUUIXDIH-UHFFFAOYSA-N 1 2 359.386 2.076 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(c1cc3nc[nH]c(=O)c3cc1[N+](=O)[O-])C2 ZINC000108952561 325654806 /nfs/dbraw/zinc/65/48/06/325654806.db2.gz FIQJKEYVUDKRMC-UHFFFAOYSA-N 1 2 368.397 2.251 10 5 FEBELO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000137313067 326659828 /nfs/dbraw/zinc/65/98/28/326659828.db2.gz JAPGURNWEZIENG-FZMZJTMJSA-N 1 2 353.806 2.041 10 5 FEBELO C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151174274 326676528 /nfs/dbraw/zinc/67/65/28/326676528.db2.gz LHWJVHVGAGSEOF-CYBMUJFWSA-N 1 2 369.385 2.037 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000171818084 327163560 /nfs/dbraw/zinc/16/35/60/327163560.db2.gz NCPLUDLWMPGCRT-UHFFFAOYSA-N 1 2 363.443 2.221 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000171818084 327163561 /nfs/dbraw/zinc/16/35/61/327163561.db2.gz NCPLUDLWMPGCRT-UHFFFAOYSA-N 1 2 363.443 2.221 10 5 FEBELO CC(C)(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000172747947 327216811 /nfs/dbraw/zinc/21/68/11/327216811.db2.gz OBICNHLGPBUUCF-HNNXBMFYSA-N 1 2 361.442 2.439 10 5 FEBELO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000173728754 327279485 /nfs/dbraw/zinc/27/94/85/327279485.db2.gz YSGXXYROCPUSAX-CQSZACIVSA-N 1 2 364.427 2.261 10 5 FEBELO Cc1sc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000109658376 543332270 /nfs/dbraw/zinc/33/22/70/543332270.db2.gz FTYNKSZQOJSUPT-UHFFFAOYSA-N 1 2 363.443 2.046 10 5 FEBELO Cc1sc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000109658376 543332274 /nfs/dbraw/zinc/33/22/74/543332274.db2.gz FTYNKSZQOJSUPT-UHFFFAOYSA-N 1 2 363.443 2.046 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cn1 ZINC000109661020 543332614 /nfs/dbraw/zinc/33/26/14/543332614.db2.gz KLMMLSVFRREQFT-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cn1 ZINC000109661020 543332615 /nfs/dbraw/zinc/33/26/15/543332615.db2.gz KLMMLSVFRREQFT-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]([NH+]4CCOCC4)C3)co2)cc1 ZINC000119110900 326127999 /nfs/dbraw/zinc/12/79/99/326127999.db2.gz XDGMAXKRMGYKHS-KRWDZBQOSA-N 1 2 358.398 2.156 10 5 FEBELO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173834425 327287820 /nfs/dbraw/zinc/28/78/20/327287820.db2.gz JCPQQQKVBADMSU-NHYWBVRUSA-N 1 2 353.806 2.041 10 5 FEBELO CC[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000176699690 327470688 /nfs/dbraw/zinc/47/06/88/327470688.db2.gz ZQRBRTPVKZRNPK-MRXNPFEDSA-N 1 2 350.419 2.020 10 5 FEBELO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177735256 546676925 /nfs/dbraw/zinc/67/69/25/546676925.db2.gz CBPNXALEAJGJSI-OAHLLOKOSA-N 1 2 366.381 2.282 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000262481715 549823467 /nfs/dbraw/zinc/82/34/67/549823467.db2.gz KOGOUMVZFNFHSW-HNNXBMFYSA-N 1 2 365.430 2.364 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000262481715 549823468 /nfs/dbraw/zinc/82/34/68/549823468.db2.gz KOGOUMVZFNFHSW-HNNXBMFYSA-N 1 2 365.430 2.364 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262481715 549823469 /nfs/dbraw/zinc/82/34/69/549823469.db2.gz KOGOUMVZFNFHSW-HNNXBMFYSA-N 1 2 365.430 2.364 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262481715 549823470 /nfs/dbraw/zinc/82/34/70/549823470.db2.gz KOGOUMVZFNFHSW-HNNXBMFYSA-N 1 2 365.430 2.364 10 5 FEBELO Cc1cc(N[C@@H]2CC(=O)N(C(C)C)C2=O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301480810 553654805 /nfs/dbraw/zinc/65/48/05/553654805.db2.gz DMQKCYWUXDEGHD-CQSZACIVSA-N 1 2 369.381 2.308 10 5 FEBELO CC(C)CC[NH+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301900864 553690304 /nfs/dbraw/zinc/69/03/04/553690304.db2.gz VBQAOVKUTHODJZ-UHFFFAOYSA-N 1 2 355.460 2.166 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103477797 543111020 /nfs/dbraw/zinc/11/10/20/543111020.db2.gz SUTFTJXQCSGTHK-UONOGXRCSA-N 1 2 372.429 2.413 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103477797 543111024 /nfs/dbraw/zinc/11/10/24/543111024.db2.gz SUTFTJXQCSGTHK-UONOGXRCSA-N 1 2 372.429 2.413 10 5 FEBELO CCOc1cc(C)nc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000106153544 543209253 /nfs/dbraw/zinc/20/92/53/543209253.db2.gz KZFAFQNHZKRWTP-UHFFFAOYSA-N 1 2 357.414 2.414 10 5 FEBELO C[NH+](C)C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000123682766 543776982 /nfs/dbraw/zinc/77/69/82/543776982.db2.gz VIYPYPWTPSUGEP-CQSZACIVSA-N 1 2 367.402 2.315 10 5 FEBELO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)ccc1Cl ZINC000153796828 544825020 /nfs/dbraw/zinc/82/50/20/544825020.db2.gz QBQOLKTYMHZDQF-UHFFFAOYSA-N 1 2 373.804 2.008 10 5 FEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082926 325577561 /nfs/dbraw/zinc/57/75/61/325577561.db2.gz XACYNQOVNVJVEM-CYBMUJFWSA-N 1 2 370.413 2.288 10 5 FEBELO Cc1cc(N[C@H]2CCc3ncnn3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000108947842 325654301 /nfs/dbraw/zinc/65/43/01/325654301.db2.gz CVNATBXQSTUPTQ-ZDUSSCGKSA-N 1 2 351.370 2.379 10 5 FEBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)O)CC1 ZINC000111289075 325712282 /nfs/dbraw/zinc/71/22/82/325712282.db2.gz HLMBDOPCHHPGGN-NEPJUHHUSA-N 1 2 351.403 2.023 10 5 FEBELO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000116319119 326007109 /nfs/dbraw/zinc/00/71/09/326007109.db2.gz ZAEQWDXISVPQCQ-NSHDSACASA-N 1 2 363.805 2.410 10 5 FEBELO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000116319119 326007112 /nfs/dbraw/zinc/00/71/12/326007112.db2.gz ZAEQWDXISVPQCQ-NSHDSACASA-N 1 2 363.805 2.410 10 5 FEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173826335 327286762 /nfs/dbraw/zinc/28/67/62/327286762.db2.gz QHPQWQUACFEBCY-WBMJQRKESA-N 1 2 365.455 2.109 10 5 FEBELO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180577422 547134057 /nfs/dbraw/zinc/13/40/57/547134057.db2.gz XPQUCSSNPMQKMC-LLVKDONJSA-N 1 2 352.354 2.249 10 5 FEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246220209 549081418 /nfs/dbraw/zinc/08/14/18/549081418.db2.gz HOYJZJQQXHWIJM-SUMWQHHRSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246220209 549081420 /nfs/dbraw/zinc/08/14/20/549081420.db2.gz HOYJZJQQXHWIJM-SUMWQHHRSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246307674 549102744 /nfs/dbraw/zinc/10/27/44/549102744.db2.gz YPUKFADQJDVVQP-CXAGYDPISA-N 1 2 356.382 2.470 10 5 FEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246307674 549102746 /nfs/dbraw/zinc/10/27/46/549102746.db2.gz YPUKFADQJDVVQP-CXAGYDPISA-N 1 2 356.382 2.470 10 5 FEBELO CC(=O)NC1CCN(c2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301127857 553624699 /nfs/dbraw/zinc/62/46/99/553624699.db2.gz VNXUVADLHHIXRN-UHFFFAOYSA-N 1 2 355.398 2.465 10 5 FEBELO O=[N+]([O-])c1c(Nc2ccc(Br)cn2)ncnc1-n1cc[nH+]c1 ZINC000040647476 205075138 /nfs/dbraw/zinc/07/51/38/205075138.db2.gz RBWGHHGMQYACEP-UHFFFAOYSA-N 1 2 362.147 2.472 10 5 FEBELO CCOc1ccnc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)n1 ZINC000106152994 543209262 /nfs/dbraw/zinc/20/92/62/543209262.db2.gz MZVHSFQEGYCKNT-UHFFFAOYSA-N 1 2 373.413 2.114 10 5 FEBELO O=C1[C@@H]([NH+]2CCC(c3ccn[nH]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131728 543315053 /nfs/dbraw/zinc/31/50/53/543315053.db2.gz SZUQTMHAJIGKIH-KRWDZBQOSA-N 1 2 355.398 2.303 10 5 FEBELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114482462 543520665 /nfs/dbraw/zinc/52/06/65/543520665.db2.gz HAQXGEDGPCQKOM-INIZCTEOSA-N 1 2 355.398 2.434 10 5 FEBELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114482462 543520668 /nfs/dbraw/zinc/52/06/68/543520668.db2.gz HAQXGEDGPCQKOM-INIZCTEOSA-N 1 2 355.398 2.434 10 5 FEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000154699691 544938750 /nfs/dbraw/zinc/93/87/50/544938750.db2.gz JLZVKGJUWJYYSC-MRXNPFEDSA-N 1 2 356.382 2.390 10 5 FEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000154699691 544938753 /nfs/dbraw/zinc/93/87/53/544938753.db2.gz JLZVKGJUWJYYSC-MRXNPFEDSA-N 1 2 356.382 2.390 10 5 FEBELO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000190650817 328222272 /nfs/dbraw/zinc/22/22/72/328222272.db2.gz VKWKHSYSSYXINJ-OAHLLOKOSA-N 1 2 370.409 2.290 10 5 FEBELO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000190650817 328222273 /nfs/dbraw/zinc/22/22/73/328222273.db2.gz VKWKHSYSSYXINJ-OAHLLOKOSA-N 1 2 370.409 2.290 10 5 FEBELO CCOc1ccnc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000121504002 326343770 /nfs/dbraw/zinc/34/37/70/326343770.db2.gz MKQUDQKCNSTBMN-UHFFFAOYSA-N 1 2 357.414 2.414 10 5 FEBELO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177760800 327542998 /nfs/dbraw/zinc/54/29/98/327542998.db2.gz BDHKCNVFEUPUFD-QGZVFWFLSA-N 1 2 366.381 2.282 10 5 FEBELO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177143452 546555070 /nfs/dbraw/zinc/55/50/70/546555070.db2.gz HSRBCEKCKUJJEP-ZDUSSCGKSA-N 1 2 354.370 2.281 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503661 548650354 /nfs/dbraw/zinc/65/03/54/548650354.db2.gz NYJSKPCRFKZZII-UHFFFAOYSA-N 1 2 373.413 2.155 10 5 FEBELO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250083800 549637604 /nfs/dbraw/zinc/63/76/04/549637604.db2.gz CREMFAUKJKHFPI-NSHDSACASA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250083800 549637607 /nfs/dbraw/zinc/63/76/07/549637607.db2.gz CREMFAUKJKHFPI-NSHDSACASA-N 1 2 359.835 2.107 10 5 FEBELO CN(c1ncnc(NNc2ccccc2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040624728 205074348 /nfs/dbraw/zinc/07/43/48/205074348.db2.gz AJEUOHLMPXSALG-UHFFFAOYSA-N 1 2 357.418 2.354 10 5 FEBELO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000195673387 206331377 /nfs/dbraw/zinc/33/13/77/206331377.db2.gz DAXCJRAMONQESV-SMDDNHRTSA-N 1 2 359.386 2.306 10 5 FEBELO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000195673387 206331381 /nfs/dbraw/zinc/33/13/81/206331381.db2.gz DAXCJRAMONQESV-SMDDNHRTSA-N 1 2 359.386 2.306 10 5 FEBELO COc1ccc(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)cc1[N+](=O)[O-] ZINC000106132236 543206714 /nfs/dbraw/zinc/20/67/14/543206714.db2.gz JSRGJBNEUNFMDD-GFCCVEGCSA-N 1 2 361.402 2.174 10 5 FEBELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114482459 543519775 /nfs/dbraw/zinc/51/97/75/543519775.db2.gz HAQXGEDGPCQKOM-MRXNPFEDSA-N 1 2 355.398 2.434 10 5 FEBELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114482459 543519779 /nfs/dbraw/zinc/51/97/79/543519779.db2.gz HAQXGEDGPCQKOM-MRXNPFEDSA-N 1 2 355.398 2.434 10 5 FEBELO CC[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090685032 325367620 /nfs/dbraw/zinc/36/76/20/325367620.db2.gz ZQRBRTPVKZRNPK-INIZCTEOSA-N 1 2 350.419 2.020 10 5 FEBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4cncn4)C3)o2)cc1 ZINC000171704715 327156483 /nfs/dbraw/zinc/15/64/83/327156483.db2.gz LIJFKWGJCFZMSW-AWEZNQCLSA-N 1 2 355.358 2.073 10 5 FEBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4cncn4)C3)o2)cc1 ZINC000171704715 327156484 /nfs/dbraw/zinc/15/64/84/327156484.db2.gz LIJFKWGJCFZMSW-AWEZNQCLSA-N 1 2 355.358 2.073 10 5 FEBELO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173982657 327299843 /nfs/dbraw/zinc/29/98/43/327299843.db2.gz QPVPBFHYFWLGIE-IAQYHMDHSA-N 1 2 353.806 2.041 10 5 FEBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000106218609 543219298 /nfs/dbraw/zinc/21/92/98/543219298.db2.gz RVYVUICPDOSWPM-KBPBESRZSA-N 1 2 358.402 2.159 10 5 FEBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000106218609 543219300 /nfs/dbraw/zinc/21/93/00/543219300.db2.gz RVYVUICPDOSWPM-KBPBESRZSA-N 1 2 358.402 2.159 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000106225698 543220332 /nfs/dbraw/zinc/22/03/32/543220332.db2.gz VRMDTEXLGZQOBZ-OAHLLOKOSA-N 1 2 373.413 2.384 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000106225698 543220334 /nfs/dbraw/zinc/22/03/34/543220334.db2.gz VRMDTEXLGZQOBZ-OAHLLOKOSA-N 1 2 373.413 2.384 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cn1 ZINC000109662153 543333129 /nfs/dbraw/zinc/33/31/29/543333129.db2.gz IGHKOIZJSOOSSF-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cn1 ZINC000109662153 543333130 /nfs/dbraw/zinc/33/31/30/543333130.db2.gz IGHKOIZJSOOSSF-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152474611 544658819 /nfs/dbraw/zinc/65/88/19/544658819.db2.gz HOYJZJQQXHWIJM-DYVFJYSZSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152474611 544658823 /nfs/dbraw/zinc/65/88/23/544658823.db2.gz HOYJZJQQXHWIJM-DYVFJYSZSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082971 325577823 /nfs/dbraw/zinc/57/78/23/325577823.db2.gz MJDBCBDBQZISSF-ZDUSSCGKSA-N 1 2 370.413 2.288 10 5 FEBELO COc1ccc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)cc1[N+](=O)[O-] ZINC000106132239 325585049 /nfs/dbraw/zinc/58/50/49/325585049.db2.gz JSRGJBNEUNFMDD-LBPRGKRZSA-N 1 2 361.402 2.174 10 5 FEBELO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000116313041 326005171 /nfs/dbraw/zinc/00/51/71/326005171.db2.gz QRXGYQMHLLETRK-NSHDSACASA-N 1 2 363.805 2.410 10 5 FEBELO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000116313041 326005174 /nfs/dbraw/zinc/00/51/74/326005174.db2.gz QRXGYQMHLLETRK-NSHDSACASA-N 1 2 363.805 2.410 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(C)c2[N+](=O)[O-])nc[nH+]1 ZINC000173414964 327254591 /nfs/dbraw/zinc/25/45/91/327254591.db2.gz LPNUIBHIGMTVBI-CYBMUJFWSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(C)c2[N+](=O)[O-])[nH+]cn1 ZINC000173414964 327254593 /nfs/dbraw/zinc/25/45/93/327254593.db2.gz LPNUIBHIGMTVBI-CYBMUJFWSA-N 1 2 370.413 2.134 10 5 FEBELO CCc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000174198347 327312444 /nfs/dbraw/zinc/31/24/44/327312444.db2.gz LLJSWEHQTSMXPH-UHFFFAOYSA-N 1 2 371.441 2.239 10 5 FEBELO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000174198347 327312445 /nfs/dbraw/zinc/31/24/45/327312445.db2.gz LLJSWEHQTSMXPH-UHFFFAOYSA-N 1 2 371.441 2.239 10 5 FEBELO CC[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000175790527 546351030 /nfs/dbraw/zinc/35/10/30/546351030.db2.gz CSVQMVPMSTYZRB-BBRMVZONSA-N 1 2 350.419 2.066 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246016796 549036519 /nfs/dbraw/zinc/03/65/19/549036519.db2.gz JZBZTRMKUXEXGL-PBHICJAKSA-N 1 2 374.441 2.081 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246016796 549036524 /nfs/dbraw/zinc/03/65/24/549036524.db2.gz JZBZTRMKUXEXGL-PBHICJAKSA-N 1 2 374.441 2.081 10 5 FEBELO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000077169856 542350096 /nfs/dbraw/zinc/35/00/96/542350096.db2.gz DAXCJRAMONQESV-RISCZKNCSA-N 1 2 359.386 2.306 10 5 FEBELO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000077169856 542350100 /nfs/dbraw/zinc/35/01/00/542350100.db2.gz DAXCJRAMONQESV-RISCZKNCSA-N 1 2 359.386 2.306 10 5 FEBELO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000192567414 328326028 /nfs/dbraw/zinc/32/60/28/328326028.db2.gz LVMRSDJBCLBZGB-GFCCVEGCSA-N 1 2 360.422 2.032 10 5 FEBELO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000192567414 328326030 /nfs/dbraw/zinc/32/60/30/328326030.db2.gz LVMRSDJBCLBZGB-GFCCVEGCSA-N 1 2 360.422 2.032 10 5 FEBELO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171647529 327151445 /nfs/dbraw/zinc/15/14/45/327151445.db2.gz UAAJSGAGVXXSAC-AWEZNQCLSA-N 1 2 355.398 2.362 10 5 FEBELO O=C(C[N@H+]1CC[C@@H](CNc2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171647529 327151446 /nfs/dbraw/zinc/15/14/46/327151446.db2.gz UAAJSGAGVXXSAC-AWEZNQCLSA-N 1 2 355.398 2.362 10 5 FEBELO Cc1cc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000171813794 327163262 /nfs/dbraw/zinc/16/32/62/327163262.db2.gz ROHGOLLOJDWHRQ-LJQANCHMSA-N 1 2 369.421 2.395 10 5 FEBELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173621807 327271783 /nfs/dbraw/zinc/27/17/83/327271783.db2.gz FAWIDWFYCHKUHU-RYUDHWBXSA-N 1 2 358.402 2.200 10 5 FEBELO Cc1cc(N[C@@H](C)C(=O)N2CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301241397 553634470 /nfs/dbraw/zinc/63/44/70/553634470.db2.gz OLGMPNBCEMUOLC-ZDUSSCGKSA-N 1 2 371.397 2.019 10 5 FEBELO CC1(C)C[NH+]=C(N2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)S1 ZINC000302037683 553699840 /nfs/dbraw/zinc/69/98/40/553699840.db2.gz MMNQTEFZJVNJGC-UHFFFAOYSA-N 1 2 350.444 2.091 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103478302 543111131 /nfs/dbraw/zinc/11/11/31/543111131.db2.gz MTYNVXHEQKJQQE-ZDUSSCGKSA-N 1 2 358.402 2.024 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103478302 543111133 /nfs/dbraw/zinc/11/11/33/543111133.db2.gz MTYNVXHEQKJQQE-ZDUSSCGKSA-N 1 2 358.402 2.024 10 5 FEBELO Cc1cc(C)n(C[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000106200443 543217356 /nfs/dbraw/zinc/21/73/56/543217356.db2.gz OOCJSMABKYTQIX-SFHVURJKSA-N 1 2 360.414 2.188 10 5 FEBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000106200443 543217358 /nfs/dbraw/zinc/21/73/58/543217358.db2.gz OOCJSMABKYTQIX-SFHVURJKSA-N 1 2 360.414 2.188 10 5 FEBELO Cc1cc(N[C@@H]2CCc3ncnn3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000108947840 543309094 /nfs/dbraw/zinc/30/90/94/543309094.db2.gz CVNATBXQSTUPTQ-CYBMUJFWSA-N 1 2 351.370 2.379 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193825445 328397506 /nfs/dbraw/zinc/39/75/06/328397506.db2.gz IFXYZFMTLCDQJV-CYBMUJFWSA-N 1 2 350.375 2.384 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193825445 328397508 /nfs/dbraw/zinc/39/75/08/328397508.db2.gz IFXYZFMTLCDQJV-CYBMUJFWSA-N 1 2 350.375 2.384 10 5 FEBELO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000171407386 327137671 /nfs/dbraw/zinc/13/76/71/327137671.db2.gz CGCUBNCAWOYRIR-AWEZNQCLSA-N 1 2 373.413 2.488 10 5 FEBELO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000171407386 327137673 /nfs/dbraw/zinc/13/76/73/327137673.db2.gz CGCUBNCAWOYRIR-AWEZNQCLSA-N 1 2 373.413 2.488 10 5 FEBELO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000171703769 327155955 /nfs/dbraw/zinc/15/59/55/327155955.db2.gz DTDXOTGUTPIYSQ-GFCCVEGCSA-N 1 2 364.793 2.115 10 5 FEBELO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000171703769 327155956 /nfs/dbraw/zinc/15/59/56/327155956.db2.gz DTDXOTGUTPIYSQ-GFCCVEGCSA-N 1 2 364.793 2.115 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2C)nc[nH+]1 ZINC000173411756 327254297 /nfs/dbraw/zinc/25/42/97/327254297.db2.gz PVTMGSBVPUNIHF-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2C)[nH+]cn1 ZINC000173411756 327254298 /nfs/dbraw/zinc/25/42/98/327254298.db2.gz PVTMGSBVPUNIHF-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000174180119 327311140 /nfs/dbraw/zinc/31/11/40/327311140.db2.gz OWXIWNWKFWNKIP-CQSZACIVSA-N 1 2 371.401 2.217 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000174180119 327311142 /nfs/dbraw/zinc/31/11/42/327311142.db2.gz OWXIWNWKFWNKIP-CQSZACIVSA-N 1 2 371.401 2.217 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000174180132 327311279 /nfs/dbraw/zinc/31/12/79/327311279.db2.gz OWXIWNWKFWNKIP-AWEZNQCLSA-N 1 2 371.401 2.217 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000174180132 327311280 /nfs/dbraw/zinc/31/12/80/327311280.db2.gz OWXIWNWKFWNKIP-AWEZNQCLSA-N 1 2 371.401 2.217 10 5 FEBELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000110945105 543374661 /nfs/dbraw/zinc/37/46/61/543374661.db2.gz QYHSKQWKBFEYLK-UHFFFAOYSA-N 1 2 360.439 2.247 10 5 FEBELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000171651309 327151436 /nfs/dbraw/zinc/15/14/36/327151436.db2.gz USBGQCMIFIRDKM-CQSZACIVSA-N 1 2 363.439 2.338 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)nc[nH+]1 ZINC000173413561 327254482 /nfs/dbraw/zinc/25/44/82/327254482.db2.gz DYALLXZWNPYWGD-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH+]cn1 ZINC000173413561 327254483 /nfs/dbraw/zinc/25/44/83/327254483.db2.gz DYALLXZWNPYWGD-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173930685 327295487 /nfs/dbraw/zinc/29/54/87/327295487.db2.gz SOMAHIVAEPMYGO-CYBMUJFWSA-N 1 2 354.370 2.245 10 5 FEBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184827051 547884000 /nfs/dbraw/zinc/88/40/00/547884000.db2.gz PNGHXWZSRTYMMC-AEFFLSMTSA-N 1 2 361.442 2.097 10 5 FEBELO COc1ccc(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000195506737 548651895 /nfs/dbraw/zinc/65/18/95/548651895.db2.gz TWXKZZMPAOFALZ-UHFFFAOYSA-N 1 2 359.386 2.145 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245198265 548899017 /nfs/dbraw/zinc/89/90/17/548899017.db2.gz IXDLCDUXJDHHEK-UKRRQHHQSA-N 1 2 362.430 2.303 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245198265 548899022 /nfs/dbraw/zinc/89/90/22/548899022.db2.gz IXDLCDUXJDHHEK-UKRRQHHQSA-N 1 2 362.430 2.303 10 5 FEBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000249759449 549626101 /nfs/dbraw/zinc/62/61/01/549626101.db2.gz MFLOJNMUOCXAMS-LBPRGKRZSA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000249759449 549626107 /nfs/dbraw/zinc/62/61/07/549626107.db2.gz MFLOJNMUOCXAMS-LBPRGKRZSA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1ccc(CO)cc1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000302026376 553698852 /nfs/dbraw/zinc/69/88/52/553698852.db2.gz IESIDXKZPPIMAQ-UHFFFAOYSA-N 1 2 362.817 2.458 10 5 FEBELO Cc1noc([C@H](C)N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000106132377 543206521 /nfs/dbraw/zinc/20/65/21/543206521.db2.gz GBECNOOKZMMBDN-ZDUSSCGKSA-N 1 2 361.402 2.044 10 5 FEBELO C[N@@H+]1CCO[C@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000108945484 543308922 /nfs/dbraw/zinc/30/89/22/543308922.db2.gz HZWZVDJBZAAMSH-SECBINFHSA-N 1 2 364.280 2.264 10 5 FEBELO C[N@H+]1CCO[C@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000108945484 543308923 /nfs/dbraw/zinc/30/89/23/543308923.db2.gz HZWZVDJBZAAMSH-SECBINFHSA-N 1 2 364.280 2.264 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cn1 ZINC000109661212 543332480 /nfs/dbraw/zinc/33/24/80/543332480.db2.gz BMWLGHPMUANUQJ-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cn1 ZINC000109661212 543332481 /nfs/dbraw/zinc/33/24/81/543332481.db2.gz BMWLGHPMUANUQJ-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193825462 328397494 /nfs/dbraw/zinc/39/74/94/328397494.db2.gz IFXYZFMTLCDQJV-ZDUSSCGKSA-N 1 2 350.375 2.384 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193825462 328397495 /nfs/dbraw/zinc/39/74/95/328397495.db2.gz IFXYZFMTLCDQJV-ZDUSSCGKSA-N 1 2 350.375 2.384 10 5 FEBELO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000173967490 327298465 /nfs/dbraw/zinc/29/84/65/327298465.db2.gz DOKCCTXMLOBXHD-IAQYHMDHSA-N 1 2 353.806 2.041 10 5 FEBELO CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090561071 542785978 /nfs/dbraw/zinc/78/59/78/542785978.db2.gz OLXGTPGTFZCQFI-ZQIUZPCESA-N 1 2 364.446 2.454 10 5 FEBELO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000134080084 544293636 /nfs/dbraw/zinc/29/36/36/544293636.db2.gz NOGHUBSVQIZDJV-SFHVURJKSA-N 1 2 373.384 2.225 10 5 FEBELO CN(C(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154626166 544929604 /nfs/dbraw/zinc/92/96/04/544929604.db2.gz WPMATVIYONDKRA-KRWDZBQOSA-N 1 2 356.382 2.106 10 5 FEBELO CN(C(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154626166 544929609 /nfs/dbraw/zinc/92/96/09/544929609.db2.gz WPMATVIYONDKRA-KRWDZBQOSA-N 1 2 356.382 2.106 10 5 FEBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000121056845 326309813 /nfs/dbraw/zinc/30/98/13/326309813.db2.gz ZAJGZCPJHOTBMB-CQSZACIVSA-N 1 2 364.427 2.261 10 5 FEBELO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171814363 327163114 /nfs/dbraw/zinc/16/31/14/327163114.db2.gz ZITDPCGQJINUSD-HNNXBMFYSA-N 1 2 361.423 2.148 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000173419782 327255183 /nfs/dbraw/zinc/25/51/83/327255183.db2.gz JKISRIYFASXYQZ-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH+]cn1 ZINC000173419782 327255185 /nfs/dbraw/zinc/25/51/85/327255185.db2.gz JKISRIYFASXYQZ-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173728719 327279425 /nfs/dbraw/zinc/27/94/25/327279425.db2.gz AHAYPFAMSMKHRO-GFCCVEGCSA-N 1 2 370.818 2.298 10 5 FEBELO COc1cc(C[N@@H+]2CCCN(c3cccnn3)CC2)c([N+](=O)[O-])cc1F ZINC000184201306 547785779 /nfs/dbraw/zinc/78/57/79/547785779.db2.gz GAORJEAZSMYDIR-UHFFFAOYSA-N 1 2 361.377 2.245 10 5 FEBELO COc1cc(C[N@H+]2CCCN(c3cccnn3)CC2)c([N+](=O)[O-])cc1F ZINC000184201306 547785782 /nfs/dbraw/zinc/78/57/82/547785782.db2.gz GAORJEAZSMYDIR-UHFFFAOYSA-N 1 2 361.377 2.245 10 5 FEBELO CS(=O)(=O)c1cccc(NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000121846013 326371544 /nfs/dbraw/zinc/37/15/44/326371544.db2.gz FIZRIQBITNRTNJ-UHFFFAOYSA-N 1 2 373.394 2.191 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506757 548652594 /nfs/dbraw/zinc/65/25/94/548652594.db2.gz SUCHKPVDUOSBNL-UHFFFAOYSA-N 1 2 359.386 2.145 10 5 FEBELO COC(=O)c1cnc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c([N+](=O)[O-])c1 ZINC000276723584 550589165 /nfs/dbraw/zinc/58/91/65/550589165.db2.gz DJJKKFRLUGRKNM-UHFFFAOYSA-N 1 2 359.386 2.196 10 5 FEBELO O=C(CCNc1cc(F)ccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000302819331 553734131 /nfs/dbraw/zinc/73/41/31/553734131.db2.gz NXCLGIZYNUZKPV-UHFFFAOYSA-N 1 2 373.388 2.280 10 5 FEBELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000066836099 670448558 /nfs/dbraw/zinc/44/85/58/670448558.db2.gz BYLPXRUJNYPVOE-SNVBAGLBSA-N 1 2 355.778 2.072 10 5 FEBELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000066836099 670448560 /nfs/dbraw/zinc/44/85/60/670448560.db2.gz BYLPXRUJNYPVOE-SNVBAGLBSA-N 1 2 355.778 2.072 10 5 FEBELO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000182856885 672455190 /nfs/dbraw/zinc/45/51/90/672455190.db2.gz UYCOSBNQIGQKSC-SNVBAGLBSA-N 1 2 353.375 2.232 10 5 FEBELO O=C(CC[N@@H+]1CCO[C@@H](c2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103478810 543111373 /nfs/dbraw/zinc/11/13/73/543111373.db2.gz KFAJOVPEKKSUPF-CQSZACIVSA-N 1 2 362.411 2.453 10 5 FEBELO O=C(CC[N@H+]1CCO[C@@H](c2nccs2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103478810 543111374 /nfs/dbraw/zinc/11/13/74/543111374.db2.gz KFAJOVPEKKSUPF-CQSZACIVSA-N 1 2 362.411 2.453 10 5 FEBELO Cc1noc([C@@H](C)N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000106132373 543206310 /nfs/dbraw/zinc/20/63/10/543206310.db2.gz GBECNOOKZMMBDN-CYBMUJFWSA-N 1 2 361.402 2.044 10 5 FEBELO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000106218607 543219365 /nfs/dbraw/zinc/21/93/65/543219365.db2.gz RVYVUICPDOSWPM-KGLIPLIRSA-N 1 2 358.402 2.159 10 5 FEBELO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000106218607 543219367 /nfs/dbraw/zinc/21/93/67/543219367.db2.gz RVYVUICPDOSWPM-KGLIPLIRSA-N 1 2 358.402 2.159 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000109661605 543333153 /nfs/dbraw/zinc/33/31/53/543333153.db2.gz SDKDHYGKFZEQHK-UHFFFAOYSA-N 1 2 357.414 2.159 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000109661605 543333154 /nfs/dbraw/zinc/33/31/54/543333154.db2.gz SDKDHYGKFZEQHK-UHFFFAOYSA-N 1 2 357.414 2.159 10 5 FEBELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115633792 325970010 /nfs/dbraw/zinc/97/00/10/325970010.db2.gz NDNYKMKVPISOFA-UHFFFAOYSA-N 1 2 372.429 2.295 10 5 FEBELO CC(C)Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125484059 326472579 /nfs/dbraw/zinc/47/25/79/326472579.db2.gz UXAWLXVBIGWOCU-UHFFFAOYSA-N 1 2 352.416 2.463 10 5 FEBELO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171705360 327156269 /nfs/dbraw/zinc/15/62/69/327156269.db2.gz DTZNBSITEAXETQ-GFCCVEGCSA-N 1 2 364.793 2.115 10 5 FEBELO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171705360 327156270 /nfs/dbraw/zinc/15/62/70/327156270.db2.gz DTZNBSITEAXETQ-GFCCVEGCSA-N 1 2 364.793 2.115 10 5 FEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173826355 327286994 /nfs/dbraw/zinc/28/69/94/327286994.db2.gz QHPQWQUACFEBCY-MLGOLLRUSA-N 1 2 365.455 2.109 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000109661156 543332740 /nfs/dbraw/zinc/33/27/40/543332740.db2.gz YQJPUOXBBMVWSX-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cn1 ZINC000109661156 543332742 /nfs/dbraw/zinc/33/27/42/543332742.db2.gz YQJPUOXBBMVWSX-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CC[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000175772235 546347060 /nfs/dbraw/zinc/34/70/60/546347060.db2.gz JVJBOYDZLMQTPW-XJKSGUPXSA-N 1 2 350.419 2.066 10 5 FEBELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175870800 672371302 /nfs/dbraw/zinc/37/13/02/672371302.db2.gz MDEPOTJSTZYFKC-UHFFFAOYSA-N 1 2 354.363 2.020 10 5 FEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152477480 544658657 /nfs/dbraw/zinc/65/86/57/544658657.db2.gz YPUKFADQJDVVQP-GUYCJALGSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152477480 544658661 /nfs/dbraw/zinc/65/86/61/544658661.db2.gz YPUKFADQJDVVQP-GUYCJALGSA-N 1 2 356.382 2.470 10 5 FEBELO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000171407368 327137476 /nfs/dbraw/zinc/13/74/76/327137476.db2.gz SDAQLQUHFBJIKQ-CQSZACIVSA-N 1 2 373.413 2.488 10 5 FEBELO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)no1 ZINC000171407368 327137478 /nfs/dbraw/zinc/13/74/78/327137478.db2.gz SDAQLQUHFBJIKQ-CQSZACIVSA-N 1 2 373.413 2.488 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)nc[nH+]1 ZINC000173413573 327254758 /nfs/dbraw/zinc/25/47/58/327254758.db2.gz DYALLXZWNPYWGD-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH+]cn1 ZINC000173413573 327254759 /nfs/dbraw/zinc/25/47/59/327254759.db2.gz DYALLXZWNPYWGD-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2C)nc[nH+]1 ZINC000173432264 327256588 /nfs/dbraw/zinc/25/65/88/327256588.db2.gz XIVHZZOYYCZTCR-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2C)[nH+]cn1 ZINC000173432264 327256590 /nfs/dbraw/zinc/25/65/90/327256590.db2.gz XIVHZZOYYCZTCR-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000177235032 327508493 /nfs/dbraw/zinc/50/84/93/327508493.db2.gz IQYPKBULGGJGPN-XHDPSFHLSA-N 1 2 368.821 2.433 10 5 FEBELO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000180992068 547225900 /nfs/dbraw/zinc/22/59/00/547225900.db2.gz OCTGAJWYOFPCQV-ZDUSSCGKSA-N 1 2 353.444 2.156 10 5 FEBELO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000180992068 547225903 /nfs/dbraw/zinc/22/59/03/547225903.db2.gz OCTGAJWYOFPCQV-ZDUSSCGKSA-N 1 2 353.444 2.156 10 5 FEBELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195505392 548651481 /nfs/dbraw/zinc/65/14/81/548651481.db2.gz SMEMTJSLNQYONQ-UHFFFAOYSA-N 1 2 355.398 2.087 10 5 FEBELO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000247780557 549381193 /nfs/dbraw/zinc/38/11/93/549381193.db2.gz RVYVUICPDOSWPM-ZIAGYGMSSA-N 1 2 358.402 2.159 10 5 FEBELO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000247780557 549381197 /nfs/dbraw/zinc/38/11/97/549381197.db2.gz RVYVUICPDOSWPM-ZIAGYGMSSA-N 1 2 358.402 2.159 10 5 FEBELO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](Cc4ccc(Cl)cn4)CC3)nn21 ZINC000302185294 553709126 /nfs/dbraw/zinc/70/91/26/553709126.db2.gz TVQWQAHGUZKJGV-UHFFFAOYSA-N 1 2 373.804 2.008 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000101565258 543033761 /nfs/dbraw/zinc/03/37/61/543033761.db2.gz IXDLCDUXJDHHEK-ZFWWWQNUSA-N 1 2 362.430 2.303 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000101565258 543033763 /nfs/dbraw/zinc/03/37/63/543033763.db2.gz IXDLCDUXJDHHEK-ZFWWWQNUSA-N 1 2 362.430 2.303 10 5 FEBELO Cc1cc(C)n(C[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000106199879 543216762 /nfs/dbraw/zinc/21/67/62/543216762.db2.gz FIRQWBWQUNADAB-GOSISDBHSA-N 1 2 360.414 2.188 10 5 FEBELO Cc1cc(C)n(C[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000106199879 543216765 /nfs/dbraw/zinc/21/67/65/543216765.db2.gz FIRQWBWQUNADAB-GOSISDBHSA-N 1 2 360.414 2.188 10 5 FEBELO Cc1cc(C)n(C[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000106200445 543217370 /nfs/dbraw/zinc/21/73/70/543217370.db2.gz OOCJSMABKYTQIX-GOSISDBHSA-N 1 2 360.414 2.188 10 5 FEBELO Cc1cc(C)n(C[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000106200445 543217373 /nfs/dbraw/zinc/21/73/73/543217373.db2.gz OOCJSMABKYTQIX-GOSISDBHSA-N 1 2 360.414 2.188 10 5 FEBELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cn1 ZINC000107254016 543263836 /nfs/dbraw/zinc/26/38/36/543263836.db2.gz YJJQNVPGZSPWGX-UHFFFAOYSA-N 1 2 361.402 2.142 10 5 FEBELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cn1 ZINC000107254016 543263840 /nfs/dbraw/zinc/26/38/40/543263840.db2.gz YJJQNVPGZSPWGX-UHFFFAOYSA-N 1 2 361.402 2.142 10 5 FEBELO CS(=O)(=O)c1cc(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000124358692 543816438 /nfs/dbraw/zinc/81/64/38/543816438.db2.gz OQMJRUJBYBSUDP-UHFFFAOYSA-N 1 2 350.400 2.036 10 5 FEBELO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000190645749 328221520 /nfs/dbraw/zinc/22/15/20/328221520.db2.gz DKIWKKBNAKRUGV-HNNXBMFYSA-N 1 2 370.409 2.290 10 5 FEBELO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000190645749 328221521 /nfs/dbraw/zinc/22/15/21/328221521.db2.gz DKIWKKBNAKRUGV-HNNXBMFYSA-N 1 2 370.409 2.290 10 5 FEBELO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]([NH+]4CCOCC4)C3)co2)cc1 ZINC000119111069 326127935 /nfs/dbraw/zinc/12/79/35/326127935.db2.gz XDGMAXKRMGYKHS-QGZVFWFLSA-N 1 2 358.398 2.156 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)nc[nH+]1 ZINC000173436975 327256852 /nfs/dbraw/zinc/25/68/52/327256852.db2.gz KCPAYAXNUVBKBO-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH+]cn1 ZINC000173436975 327256854 /nfs/dbraw/zinc/25/68/54/327256854.db2.gz KCPAYAXNUVBKBO-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173930676 327295467 /nfs/dbraw/zinc/29/54/67/327295467.db2.gz SOMAHIVAEPMYGO-ZDUSSCGKSA-N 1 2 354.370 2.245 10 5 FEBELO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000027567387 539810362 /nfs/dbraw/zinc/81/03/62/539810362.db2.gz OVHXCJRKUWRUHP-LLVKDONJSA-N 1 2 373.356 2.257 10 5 FEBELO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000027567387 539810365 /nfs/dbraw/zinc/81/03/65/539810365.db2.gz OVHXCJRKUWRUHP-LLVKDONJSA-N 1 2 373.356 2.257 10 5 FEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154699567 544938495 /nfs/dbraw/zinc/93/84/95/544938495.db2.gz JLZVKGJUWJYYSC-INIZCTEOSA-N 1 2 356.382 2.390 10 5 FEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154699567 544938499 /nfs/dbraw/zinc/93/84/99/544938499.db2.gz JLZVKGJUWJYYSC-INIZCTEOSA-N 1 2 356.382 2.390 10 5 FEBELO CCOc1ccnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000106152257 325586434 /nfs/dbraw/zinc/58/64/34/325586434.db2.gz CSNBXKNJUACSLX-UHFFFAOYSA-N 1 2 357.414 2.414 10 5 FEBELO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000119382822 326156308 /nfs/dbraw/zinc/15/63/08/326156308.db2.gz HJWBKQRIYGEDPT-KDOFPFPSSA-N 1 2 372.425 2.402 10 5 FEBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000175871567 327418879 /nfs/dbraw/zinc/41/88/79/327418879.db2.gz RORFAWGQGKGRAQ-UHFFFAOYSA-N 1 2 350.400 2.189 10 5 FEBELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160186071 546015756 /nfs/dbraw/zinc/01/57/56/546015756.db2.gz CAVZQLNJZGZQSM-JTQLQIEISA-N 1 2 362.308 2.066 10 5 FEBELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000160186071 546015759 /nfs/dbraw/zinc/01/57/59/546015759.db2.gz CAVZQLNJZGZQSM-JTQLQIEISA-N 1 2 362.308 2.066 10 5 FEBELO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177143463 546554498 /nfs/dbraw/zinc/55/44/98/546554498.db2.gz HSRBCEKCKUJJEP-CYBMUJFWSA-N 1 2 354.370 2.281 10 5 FEBELO Cc1c(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000109644567 543330212 /nfs/dbraw/zinc/33/02/12/543330212.db2.gz MQMPRQGOUJJOQB-LJQANCHMSA-N 1 2 369.421 2.395 10 5 FEBELO CCn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000190769600 328231582 /nfs/dbraw/zinc/23/15/82/328231582.db2.gz YXQCABFHARSQRU-KRWDZBQOSA-N 1 2 373.413 2.213 10 5 FEBELO CCn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000190769600 328231583 /nfs/dbraw/zinc/23/15/83/328231583.db2.gz YXQCABFHARSQRU-KRWDZBQOSA-N 1 2 373.413 2.213 10 5 FEBELO CCn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000190818004 328234048 /nfs/dbraw/zinc/23/40/48/328234048.db2.gz YSNCUIDJKHRCJU-KRWDZBQOSA-N 1 2 373.413 2.213 10 5 FEBELO CCn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000190818004 328234049 /nfs/dbraw/zinc/23/40/49/328234049.db2.gz YSNCUIDJKHRCJU-KRWDZBQOSA-N 1 2 373.413 2.213 10 5 FEBELO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000191789238 328281976 /nfs/dbraw/zinc/28/19/76/328281976.db2.gz NPUGRUZURVONLN-AWEZNQCLSA-N 1 2 364.427 2.261 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106186057 325590026 /nfs/dbraw/zinc/59/00/26/325590026.db2.gz UFHFGTJHBBOVOR-UHFFFAOYSA-N 1 2 373.413 2.151 10 5 FEBELO COCC[N@@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000117289790 326055007 /nfs/dbraw/zinc/05/50/07/326055007.db2.gz QBTWCCWBNLKLIH-GFCCVEGCSA-N 1 2 353.444 2.109 10 5 FEBELO COCC[N@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000117289790 326055009 /nfs/dbraw/zinc/05/50/09/326055009.db2.gz QBTWCCWBNLKLIH-GFCCVEGCSA-N 1 2 353.444 2.109 10 5 FEBELO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000171421717 327138357 /nfs/dbraw/zinc/13/83/57/327138357.db2.gz CYOLOVFTJOYUAF-OAHLLOKOSA-N 1 2 364.446 2.236 10 5 FEBELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173629047 327272377 /nfs/dbraw/zinc/27/23/77/327272377.db2.gz DRUJLTMXGXSLPX-RYUDHWBXSA-N 1 2 358.402 2.200 10 5 FEBELO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173776015 327283299 /nfs/dbraw/zinc/28/32/99/327283299.db2.gz IOXGBIDJCSXIBV-LBPRGKRZSA-N 1 2 354.794 2.187 10 5 FEBELO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000173970517 327298851 /nfs/dbraw/zinc/29/88/51/327298851.db2.gz QOPDJEPQRDZURT-NHYWBVRUSA-N 1 2 353.806 2.041 10 5 FEBELO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245198231 548899407 /nfs/dbraw/zinc/89/94/07/548899407.db2.gz HLTYDAJWWJZMPM-LBPRGKRZSA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245198231 548899408 /nfs/dbraw/zinc/89/94/08/548899408.db2.gz HLTYDAJWWJZMPM-LBPRGKRZSA-N 1 2 359.835 2.107 10 5 FEBELO CCOc1cc(C)nc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000106153492 543209291 /nfs/dbraw/zinc/20/92/91/543209291.db2.gz YDTWVRBZDFEWNT-UHFFFAOYSA-N 1 2 357.414 2.414 10 5 FEBELO CCOc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000111289055 543392945 /nfs/dbraw/zinc/39/29/45/543392945.db2.gz SGHPSYXBZCIQAY-GFCCVEGCSA-N 1 2 351.403 2.025 10 5 FEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152477543 544658460 /nfs/dbraw/zinc/65/84/60/544658460.db2.gz YPUKFADQJDVVQP-DYVFJYSZSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152477543 544658462 /nfs/dbraw/zinc/65/84/62/544658462.db2.gz YPUKFADQJDVVQP-DYVFJYSZSA-N 1 2 356.382 2.470 10 5 FEBELO CSc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000188178644 328071435 /nfs/dbraw/zinc/07/14/35/328071435.db2.gz KAHMERWNRROROY-TZMCWYRMSA-N 1 2 365.455 2.109 10 5 FEBELO CN(c1cccnn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193894237 328400980 /nfs/dbraw/zinc/40/09/80/328400980.db2.gz YXKXOACWAYOYJT-UHFFFAOYSA-N 1 2 372.385 2.394 10 5 FEBELO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000079506264 325094615 /nfs/dbraw/zinc/09/46/15/325094615.db2.gz ZFXPVXLDUGEXAU-SNVBAGLBSA-N 1 2 361.320 2.064 10 5 FEBELO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000172747950 327216786 /nfs/dbraw/zinc/21/67/86/327216786.db2.gz OBICNHLGPBUUCF-OAHLLOKOSA-N 1 2 361.442 2.439 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263483575 549904423 /nfs/dbraw/zinc/90/44/23/549904423.db2.gz GUNZEPFYPMDGIE-UHFFFAOYSA-N 1 2 351.403 2.021 10 5 FEBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263483575 549904425 /nfs/dbraw/zinc/90/44/25/549904425.db2.gz GUNZEPFYPMDGIE-UHFFFAOYSA-N 1 2 351.403 2.021 10 5 FEBELO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302788137 553733124 /nfs/dbraw/zinc/73/31/24/553733124.db2.gz BTTZXRZFEYBERP-CQSZACIVSA-N 1 2 364.421 2.257 10 5 FEBELO Cc1cc(N2CCC[C@H](CC(N)=O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000080700484 542602222 /nfs/dbraw/zinc/60/22/22/542602222.db2.gz MYXPCRHHEXHGLT-CYBMUJFWSA-N 1 2 355.398 2.452 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000101565285 543033415 /nfs/dbraw/zinc/03/34/15/543033415.db2.gz HXXBPCDRFXCIQF-AWEZNQCLSA-N 1 2 362.430 2.222 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000101565285 543033418 /nfs/dbraw/zinc/03/34/18/543033418.db2.gz HXXBPCDRFXCIQF-AWEZNQCLSA-N 1 2 362.430 2.222 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000109662113 543332998 /nfs/dbraw/zinc/33/29/98/543332998.db2.gz GIMNBDKDIZOFAH-UHFFFAOYSA-N 1 2 357.414 2.159 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000109662113 543333002 /nfs/dbraw/zinc/33/30/02/543333002.db2.gz GIMNBDKDIZOFAH-UHFFFAOYSA-N 1 2 357.414 2.159 10 5 FEBELO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2cc[nH+]c(N(C)C)c2)c1C ZINC000106100063 222382663 /nfs/dbraw/zinc/38/26/63/222382663.db2.gz PGQKPXBXRMOSCS-UHFFFAOYSA-N 1 2 364.427 2.151 10 5 FEBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184827032 327884778 /nfs/dbraw/zinc/88/47/78/327884778.db2.gz PNGHXWZSRTYMMC-WMZOPIPTSA-N 1 2 361.442 2.097 10 5 FEBELO Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000191774477 328281214 /nfs/dbraw/zinc/28/12/14/328281214.db2.gz KFDYUZCRQIDAFP-UHFFFAOYSA-N 1 2 364.427 2.498 10 5 FEBELO CC[C@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090522459 325362216 /nfs/dbraw/zinc/36/22/16/325362216.db2.gz JVJBOYDZLMQTPW-BBRMVZONSA-N 1 2 350.419 2.066 10 5 FEBELO CCOc1ccnc(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n1 ZINC000106152259 325586550 /nfs/dbraw/zinc/58/65/50/325586550.db2.gz MMAIHVBSFFFWQW-UHFFFAOYSA-N 1 2 373.413 2.114 10 5 FEBELO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000171421719 327138482 /nfs/dbraw/zinc/13/84/82/327138482.db2.gz CYOLOVFTJOYUAF-HNNXBMFYSA-N 1 2 364.446 2.236 10 5 FEBELO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000173970536 327298686 /nfs/dbraw/zinc/29/86/86/327298686.db2.gz QOPDJEPQRDZURT-XHDPSFHLSA-N 1 2 353.806 2.041 10 5 FEBELO O=[N+]([O-])c1ccc(CO)cc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000302024860 553698848 /nfs/dbraw/zinc/69/88/48/553698848.db2.gz HIXWTQWZKRLJJP-WOJBJXKFSA-N 1 2 369.421 2.177 10 5 FEBELO O=[N+]([O-])c1ccc(CO)cc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000302024860 553698849 /nfs/dbraw/zinc/69/88/49/553698849.db2.gz HIXWTQWZKRLJJP-WOJBJXKFSA-N 1 2 369.421 2.177 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000109661613 543333061 /nfs/dbraw/zinc/33/30/61/543333061.db2.gz JUHQRIJJULLASK-UHFFFAOYSA-N 1 2 357.414 2.159 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000109661613 543333062 /nfs/dbraw/zinc/33/30/62/543333062.db2.gz JUHQRIJJULLASK-UHFFFAOYSA-N 1 2 357.414 2.159 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114201022 543507418 /nfs/dbraw/zinc/50/74/18/543507418.db2.gz KBDWLNKDEPXDBS-OAHLLOKOSA-N 1 2 359.386 2.492 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114201022 543507421 /nfs/dbraw/zinc/50/74/21/543507421.db2.gz KBDWLNKDEPXDBS-OAHLLOKOSA-N 1 2 359.386 2.492 10 5 FEBELO COCC[N@@H+]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000117293953 543628862 /nfs/dbraw/zinc/62/88/62/543628862.db2.gz ZJDQZNMNQXLNQQ-ZIAGYGMSSA-N 1 2 367.471 2.255 10 5 FEBELO COCC[N@H+]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000117293953 543628865 /nfs/dbraw/zinc/62/88/65/543628865.db2.gz ZJDQZNMNQXLNQQ-ZIAGYGMSSA-N 1 2 367.471 2.255 10 5 FEBELO CSc1cccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000188178674 328071618 /nfs/dbraw/zinc/07/16/18/328071618.db2.gz KAHMERWNRROROY-GXTWGEPZSA-N 1 2 365.455 2.109 10 5 FEBELO CC[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090512452 325361558 /nfs/dbraw/zinc/36/15/58/325361558.db2.gz VLMWJYFWKVGEAP-INIZCTEOSA-N 1 2 364.446 2.456 10 5 FEBELO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000131194884 326569975 /nfs/dbraw/zinc/56/99/75/326569975.db2.gz KUXCRDOMFDMYFJ-ZDUSSCGKSA-N 1 2 373.331 2.160 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)nc[nH+]1 ZINC000173436961 327256805 /nfs/dbraw/zinc/25/68/05/327256805.db2.gz KCPAYAXNUVBKBO-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH+]cn1 ZINC000173436961 327256807 /nfs/dbraw/zinc/25/68/07/327256807.db2.gz KCPAYAXNUVBKBO-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173826366 327286989 /nfs/dbraw/zinc/28/69/89/327286989.db2.gz QHPQWQUACFEBCY-BLLLJJGKSA-N 1 2 365.455 2.109 10 5 FEBELO O=c1c([N+](=O)[O-])c(NCCc2[nH]c3ccccc3[nH+]2)nc2ccccn21 ZINC000043535906 540103059 /nfs/dbraw/zinc/10/30/59/540103059.db2.gz ZWRUCHMJZFQQKT-UHFFFAOYSA-N 1 2 350.338 2.134 10 5 FEBELO Cc1cc(C)n(C[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000106199992 543216969 /nfs/dbraw/zinc/21/69/69/543216969.db2.gz JNBAWBNFDPVEAK-MRXNPFEDSA-N 1 2 360.414 2.188 10 5 FEBELO Cc1cc(C)n(C[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000106199992 543216973 /nfs/dbraw/zinc/21/69/73/543216973.db2.gz JNBAWBNFDPVEAK-MRXNPFEDSA-N 1 2 360.414 2.188 10 5 FEBELO C[N@@H+]1CCO[C@@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000108945488 543309163 /nfs/dbraw/zinc/30/91/63/543309163.db2.gz HZWZVDJBZAAMSH-VIFPVBQESA-N 1 2 364.280 2.264 10 5 FEBELO C[N@H+]1CCO[C@@H](CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000108945488 543309164 /nfs/dbraw/zinc/30/91/64/543309164.db2.gz HZWZVDJBZAAMSH-VIFPVBQESA-N 1 2 364.280 2.264 10 5 FEBELO Cc1cccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000109645631 543330154 /nfs/dbraw/zinc/33/01/54/543330154.db2.gz KQQIMKKIRJNZIE-SFHVURJKSA-N 1 2 369.421 2.395 10 5 FEBELO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000133658686 326612602 /nfs/dbraw/zinc/61/26/02/326612602.db2.gz DIQCJCLVEVNDTF-CQSZACIVSA-N 1 2 366.381 2.282 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246016801 549036940 /nfs/dbraw/zinc/03/69/40/549036940.db2.gz JZBZTRMKUXEXGL-YOEHRIQHSA-N 1 2 374.441 2.081 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246016801 549036941 /nfs/dbraw/zinc/03/69/41/549036941.db2.gz JZBZTRMKUXEXGL-YOEHRIQHSA-N 1 2 374.441 2.081 10 5 FEBELO Cc1ccnc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000301646067 553668273 /nfs/dbraw/zinc/66/82/73/553668273.db2.gz NWAWWEQUSQETPP-DLBZAZTESA-N 1 2 354.410 2.388 10 5 FEBELO Cc1ccnc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000301646067 553668277 /nfs/dbraw/zinc/66/82/77/553668277.db2.gz NWAWWEQUSQETPP-DLBZAZTESA-N 1 2 354.410 2.388 10 5 FEBELO CN(C)c1cc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc[nH+]1 ZINC000301878696 553687799 /nfs/dbraw/zinc/68/77/99/553687799.db2.gz HOOSPQZQGCIBKX-UHFFFAOYSA-N 1 2 350.400 2.071 10 5 FEBELO Cc1cc(NC[C@H](O)c2cnn(C)c2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078374415 542458427 /nfs/dbraw/zinc/45/84/27/542458427.db2.gz BRXDYFPHQXLXQF-HNNXBMFYSA-N 1 2 354.370 2.239 10 5 FEBELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114203006 543507337 /nfs/dbraw/zinc/50/73/37/543507337.db2.gz XMJRKYPAJGDZRO-MRXNPFEDSA-N 1 2 355.398 2.434 10 5 FEBELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000114203006 543507340 /nfs/dbraw/zinc/50/73/40/543507340.db2.gz XMJRKYPAJGDZRO-MRXNPFEDSA-N 1 2 355.398 2.434 10 5 FEBELO CCOC(=O)c1ccnc(N2CC[C@H](CNc3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000133781096 544283246 /nfs/dbraw/zinc/28/32/46/544283246.db2.gz WXUGCEHVFGHRRB-CYBMUJFWSA-N 1 2 371.397 2.500 10 5 FEBELO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000146808538 544442770 /nfs/dbraw/zinc/44/27/70/544442770.db2.gz CREMFAUKJKHFPI-LLVKDONJSA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000146808538 544442772 /nfs/dbraw/zinc/44/27/72/544442772.db2.gz CREMFAUKJKHFPI-LLVKDONJSA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c(Cl)c1 ZINC000182135690 327762599 /nfs/dbraw/zinc/76/25/99/327762599.db2.gz AKZQKZANFNAKEP-UHFFFAOYSA-N 1 2 373.804 2.008 10 5 FEBELO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000192567402 328326076 /nfs/dbraw/zinc/32/60/76/328326076.db2.gz LVMRSDJBCLBZGB-LBPRGKRZSA-N 1 2 360.422 2.032 10 5 FEBELO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000192567402 328326078 /nfs/dbraw/zinc/32/60/78/328326078.db2.gz LVMRSDJBCLBZGB-LBPRGKRZSA-N 1 2 360.422 2.032 10 5 FEBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000120948913 326301360 /nfs/dbraw/zinc/30/13/60/326301360.db2.gz TXFVCVSKMORYKB-CQSZACIVSA-N 1 2 365.455 2.254 10 5 FEBELO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173733064 327279726 /nfs/dbraw/zinc/27/97/26/327279726.db2.gz ZLZLONBYDASVNL-OAHLLOKOSA-N 1 2 364.427 2.207 10 5 FEBELO CC(=O)c1cccc(Nc2ncnc(N3CC[NH+](C)CC3)c2[N+](=O)[O-])c1 ZINC000040593153 534892781 /nfs/dbraw/zinc/89/27/81/534892781.db2.gz AAXAAZMVBBPLAU-UHFFFAOYSA-N 1 2 356.386 2.083 10 5 FEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152474559 544658856 /nfs/dbraw/zinc/65/88/56/544658856.db2.gz HOYJZJQQXHWIJM-GUYCJALGSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152474559 544658859 /nfs/dbraw/zinc/65/88/59/544658859.db2.gz HOYJZJQQXHWIJM-GUYCJALGSA-N 1 2 356.382 2.470 10 5 FEBELO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000190583481 328217692 /nfs/dbraw/zinc/21/76/92/328217692.db2.gz UXKCWQLXQHGJKN-OAHLLOKOSA-N 1 2 370.409 2.290 10 5 FEBELO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000190583481 328217693 /nfs/dbraw/zinc/21/76/93/328217693.db2.gz UXKCWQLXQHGJKN-OAHLLOKOSA-N 1 2 370.409 2.290 10 5 FEBELO CCCn1cc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)cn1 ZINC000192451498 328319890 /nfs/dbraw/zinc/31/98/90/328319890.db2.gz PXAAENQRNQVCLB-UHFFFAOYSA-N 1 2 350.448 2.370 10 5 FEBELO CCCn1cc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)cn1 ZINC000192451498 328319891 /nfs/dbraw/zinc/31/98/91/328319891.db2.gz PXAAENQRNQVCLB-UHFFFAOYSA-N 1 2 350.448 2.370 10 5 FEBELO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)cc1 ZINC000171705822 327156493 /nfs/dbraw/zinc/15/64/93/327156493.db2.gz XVOUMGSRCDUFBP-CQSZACIVSA-N 1 2 355.358 2.073 10 5 FEBELO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4cncn4)C3)n2)cc1 ZINC000171705822 327156494 /nfs/dbraw/zinc/15/64/94/327156494.db2.gz XVOUMGSRCDUFBP-CQSZACIVSA-N 1 2 355.358 2.073 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2C)nc[nH+]1 ZINC000173432274 327256725 /nfs/dbraw/zinc/25/67/25/327256725.db2.gz XIVHZZOYYCZTCR-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2C)[nH+]cn1 ZINC000173432274 327256726 /nfs/dbraw/zinc/25/67/26/327256726.db2.gz XIVHZZOYYCZTCR-CQSZACIVSA-N 1 2 370.413 2.134 10 5 FEBELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173621831 327271779 /nfs/dbraw/zinc/27/17/79/327271779.db2.gz FAWIDWFYCHKUHU-NWDGAFQWSA-N 1 2 358.402 2.200 10 5 FEBELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173621842 327271785 /nfs/dbraw/zinc/27/17/85/327271785.db2.gz FAWIDWFYCHKUHU-VXGBXAGGSA-N 1 2 358.402 2.200 10 5 FEBELO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173776030 327283156 /nfs/dbraw/zinc/28/31/56/327283156.db2.gz IOXGBIDJCSXIBV-GFCCVEGCSA-N 1 2 354.794 2.187 10 5 FEBELO CC[C@@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000274953138 550567325 /nfs/dbraw/zinc/56/73/25/550567325.db2.gz VKHQBJBXJKEMHS-OAHLLOKOSA-N 1 2 370.413 2.226 10 5 FEBELO CC[C@@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1cccc([N+](=O)[O-])c1 ZINC000274953138 550567327 /nfs/dbraw/zinc/56/73/27/550567327.db2.gz VKHQBJBXJKEMHS-OAHLLOKOSA-N 1 2 370.413 2.226 10 5 FEBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000121092417 326312754 /nfs/dbraw/zinc/31/27/54/326312754.db2.gz LHOSEOJSQCIUEW-AWEZNQCLSA-N 1 2 357.357 2.103 10 5 FEBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000121092417 326312756 /nfs/dbraw/zinc/31/27/56/326312756.db2.gz LHOSEOJSQCIUEW-AWEZNQCLSA-N 1 2 357.357 2.103 10 5 FEBELO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000121092417 326312757 /nfs/dbraw/zinc/31/27/57/326312757.db2.gz LHOSEOJSQCIUEW-AWEZNQCLSA-N 1 2 357.357 2.103 10 5 FEBELO Cn1cc([C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)cn1 ZINC000172264101 327191440 /nfs/dbraw/zinc/19/14/40/327191440.db2.gz ROCZCNFMRGMTOS-CQSZACIVSA-N 1 2 366.381 2.144 10 5 FEBELO Cn1cc([C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)cn1 ZINC000172264106 327191452 /nfs/dbraw/zinc/19/14/52/327191452.db2.gz ROCZCNFMRGMTOS-AWEZNQCLSA-N 1 2 366.381 2.144 10 5 FEBELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173629066 327272363 /nfs/dbraw/zinc/27/23/63/327272363.db2.gz DRUJLTMXGXSLPX-NWDGAFQWSA-N 1 2 358.402 2.200 10 5 FEBELO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173776314 327283252 /nfs/dbraw/zinc/28/32/52/327283252.db2.gz YBZLQEIOFLQKNP-LBPRGKRZSA-N 1 2 354.794 2.187 10 5 FEBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173965323 327298235 /nfs/dbraw/zinc/29/82/35/327298235.db2.gz MYYQTLVIUOIVDJ-ABAIWWIYSA-N 1 2 353.806 2.041 10 5 FEBELO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000177235013 546575994 /nfs/dbraw/zinc/57/59/94/546575994.db2.gz IQYPKBULGGJGPN-IAQYHMDHSA-N 1 2 368.821 2.433 10 5 FEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000179649619 546992002 /nfs/dbraw/zinc/99/20/02/546992002.db2.gz HCKWALNPONAGTG-HOCLYGCPSA-N 1 2 361.442 2.313 10 5 FEBELO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245402042 548908157 /nfs/dbraw/zinc/90/81/57/548908157.db2.gz GRBQAGKBRQWKTJ-WDEREUQCSA-N 1 2 369.805 2.460 10 5 FEBELO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000245402042 548908160 /nfs/dbraw/zinc/90/81/60/548908160.db2.gz GRBQAGKBRQWKTJ-WDEREUQCSA-N 1 2 369.805 2.460 10 5 FEBELO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@H]1n1cc[nH+]c1 ZINC000301780068 553678458 /nfs/dbraw/zinc/67/84/58/553678458.db2.gz ILBRHONAKQLDCR-SWLSCSKDSA-N 1 2 364.427 2.282 10 5 FEBELO Cc1nn(C)c(C)c1C[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106142265 543207861 /nfs/dbraw/zinc/20/78/61/543207861.db2.gz SZXMJGKYHFYXCZ-UHFFFAOYSA-N 1 2 357.458 2.305 10 5 FEBELO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116323889 326006706 /nfs/dbraw/zinc/00/67/06/326006706.db2.gz PEWRASLDXUHVSR-CYBMUJFWSA-N 1 2 373.413 2.155 10 5 FEBELO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116323889 326006709 /nfs/dbraw/zinc/00/67/09/326006709.db2.gz PEWRASLDXUHVSR-CYBMUJFWSA-N 1 2 373.413 2.155 10 5 FEBELO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171647522 327151707 /nfs/dbraw/zinc/15/17/07/327151707.db2.gz UAAJSGAGVXXSAC-CQSZACIVSA-N 1 2 355.398 2.362 10 5 FEBELO O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171647522 327151708 /nfs/dbraw/zinc/15/17/08/327151708.db2.gz UAAJSGAGVXXSAC-CQSZACIVSA-N 1 2 355.398 2.362 10 5 FEBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000171705716 327156346 /nfs/dbraw/zinc/15/63/46/327156346.db2.gz GTKCMSNPIFUEAG-AWEZNQCLSA-N 1 2 355.358 2.073 10 5 FEBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](n4cncn4)C3)n2)c1 ZINC000171705716 327156347 /nfs/dbraw/zinc/15/63/47/327156347.db2.gz GTKCMSNPIFUEAG-AWEZNQCLSA-N 1 2 355.358 2.073 10 5 FEBELO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171814360 327163202 /nfs/dbraw/zinc/16/32/02/327163202.db2.gz ZITDPCGQJINUSD-OAHLLOKOSA-N 1 2 361.423 2.148 10 5 FEBELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000173621816 327271773 /nfs/dbraw/zinc/27/17/73/327271773.db2.gz FAWIDWFYCHKUHU-NEPJUHHUSA-N 1 2 358.402 2.200 10 5 FEBELO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173834411 327287843 /nfs/dbraw/zinc/28/78/43/327287843.db2.gz JCPQQQKVBADMSU-ABAIWWIYSA-N 1 2 353.806 2.041 10 5 FEBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173965552 327298051 /nfs/dbraw/zinc/29/80/51/327298051.db2.gz MYYQTLVIUOIVDJ-XHDPSFHLSA-N 1 2 353.806 2.041 10 5 FEBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173965480 327298279 /nfs/dbraw/zinc/29/82/79/327298279.db2.gz MYYQTLVIUOIVDJ-NHYWBVRUSA-N 1 2 353.806 2.041 10 5 FEBELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184646638 547859976 /nfs/dbraw/zinc/85/99/76/547859976.db2.gz RUEDQAPBEGSINN-UHFFFAOYSA-N 1 2 350.400 2.022 10 5 FEBELO COCC[N@@H+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247269476 549309376 /nfs/dbraw/zinc/30/93/76/549309376.db2.gz ZJDQZNMNQXLNQQ-KBPBESRZSA-N 1 2 367.471 2.255 10 5 FEBELO COCC[N@H+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247269476 549309378 /nfs/dbraw/zinc/30/93/78/549309378.db2.gz ZJDQZNMNQXLNQQ-KBPBESRZSA-N 1 2 367.471 2.255 10 5 FEBELO Cc1cc(NC[C@@H](O)c2cnn(C)c2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078374416 542458738 /nfs/dbraw/zinc/45/87/38/542458738.db2.gz BRXDYFPHQXLXQF-OAHLLOKOSA-N 1 2 354.370 2.239 10 5 FEBELO C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151174195 544513781 /nfs/dbraw/zinc/51/37/81/544513781.db2.gz LHWJVHVGAGSEOF-ZDUSSCGKSA-N 1 2 369.385 2.037 10 5 FEBELO C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000119382924 326156236 /nfs/dbraw/zinc/15/62/36/326156236.db2.gz HJWBKQRIYGEDPT-KSSFIOAISA-N 1 2 372.425 2.402 10 5 FEBELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000173626304 327272008 /nfs/dbraw/zinc/27/20/08/327272008.db2.gz QLEYJSVJTFTFEH-VXGBXAGGSA-N 1 2 358.402 2.200 10 5 FEBELO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1C ZINC000173729310 327279671 /nfs/dbraw/zinc/27/96/71/327279671.db2.gz OOUUMXPCDBMNKC-AWEZNQCLSA-N 1 2 364.427 2.261 10 5 FEBELO CC[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000175790566 327413310 /nfs/dbraw/zinc/41/33/10/327413310.db2.gz CSVQMVPMSTYZRB-CJNGLKHVSA-N 1 2 350.419 2.066 10 5 FEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000179649593 546991947 /nfs/dbraw/zinc/99/19/47/546991947.db2.gz HCKWALNPONAGTG-GOEBONIOSA-N 1 2 361.442 2.313 10 5 FEBELO Cc1cc(N(C)CCN2CCCC2=O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301232497 553633713 /nfs/dbraw/zinc/63/37/13/553633713.db2.gz JWODKRSYUDIWKQ-UHFFFAOYSA-N 1 2 355.398 2.419 10 5 FEBELO Cc1cc(NCc2ccc[nH+]c2N2CCC[C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000301444482 553651900 /nfs/dbraw/zinc/65/19/00/553651900.db2.gz QJIAOACHWXCGJW-CQSZACIVSA-N 1 2 370.413 2.007 10 5 FEBELO CCOCC[N@@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000150726978 672151807 /nfs/dbraw/zinc/15/18/07/672151807.db2.gz BGXLDJAPJLCZKO-ZDUSSCGKSA-N 1 2 353.394 2.225 10 5 FEBELO CCOCC[N@H+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000150726978 672151809 /nfs/dbraw/zinc/15/18/09/672151809.db2.gz BGXLDJAPJLCZKO-ZDUSSCGKSA-N 1 2 353.394 2.225 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cn1 ZINC000109662172 543333343 /nfs/dbraw/zinc/33/33/43/543333343.db2.gz WEAFNOOTUCADBP-UHFFFAOYSA-N 1 2 363.443 2.221 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cn1 ZINC000109662172 543333345 /nfs/dbraw/zinc/33/33/45/543333345.db2.gz WEAFNOOTUCADBP-UHFFFAOYSA-N 1 2 363.443 2.221 10 5 FEBELO CSc1cccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188178625 328071461 /nfs/dbraw/zinc/07/14/61/328071461.db2.gz KAHMERWNRROROY-JSGCOSHPSA-N 1 2 365.455 2.109 10 5 FEBELO COCC[N@@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000117289793 326055246 /nfs/dbraw/zinc/05/52/46/326055246.db2.gz QBTWCCWBNLKLIH-LBPRGKRZSA-N 1 2 353.444 2.109 10 5 FEBELO COCC[N@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000117289793 326055248 /nfs/dbraw/zinc/05/52/48/326055248.db2.gz QBTWCCWBNLKLIH-LBPRGKRZSA-N 1 2 353.444 2.109 10 5 FEBELO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000171703765 327155895 /nfs/dbraw/zinc/15/58/95/327155895.db2.gz DTDXOTGUTPIYSQ-LBPRGKRZSA-N 1 2 364.793 2.115 10 5 FEBELO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000171703765 327155896 /nfs/dbraw/zinc/15/58/96/327155896.db2.gz DTDXOTGUTPIYSQ-LBPRGKRZSA-N 1 2 364.793 2.115 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000173289520 327247301 /nfs/dbraw/zinc/24/73/01/327247301.db2.gz OLARIJUZIUTCJS-AWEZNQCLSA-N 1 2 371.401 2.217 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000173289520 327247302 /nfs/dbraw/zinc/24/73/02/327247302.db2.gz OLARIJUZIUTCJS-AWEZNQCLSA-N 1 2 371.401 2.217 10 5 FEBELO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000173967506 327298440 /nfs/dbraw/zinc/29/84/40/327298440.db2.gz DOKCCTXMLOBXHD-XHDPSFHLSA-N 1 2 353.806 2.041 10 5 FEBELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)cn1 ZINC000194606335 548503844 /nfs/dbraw/zinc/50/38/44/548503844.db2.gz CQHAZMZXCSMNIA-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO CCn1cc(C[N@H+]2CCCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)cn1 ZINC000194606335 548503848 /nfs/dbraw/zinc/50/38/48/548503848.db2.gz CQHAZMZXCSMNIA-UHFFFAOYSA-N 1 2 371.441 2.468 10 5 FEBELO Cc1ccnc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000301646068 553668409 /nfs/dbraw/zinc/66/84/09/553668409.db2.gz NWAWWEQUSQETPP-IAGOWNOFSA-N 1 2 354.410 2.388 10 5 FEBELO Cc1ccnc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000301646068 553668411 /nfs/dbraw/zinc/66/84/11/553668411.db2.gz NWAWWEQUSQETPP-IAGOWNOFSA-N 1 2 354.410 2.388 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000103478218 543111256 /nfs/dbraw/zinc/11/12/56/543111256.db2.gz QVZFJPUMMFKNIT-CQSZACIVSA-N 1 2 372.429 2.333 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000103478218 543111259 /nfs/dbraw/zinc/11/12/59/543111259.db2.gz QVZFJPUMMFKNIT-CQSZACIVSA-N 1 2 372.429 2.333 10 5 FEBELO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000190583464 328217739 /nfs/dbraw/zinc/21/77/39/328217739.db2.gz UXKCWQLXQHGJKN-HNNXBMFYSA-N 1 2 370.409 2.290 10 5 FEBELO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000190583464 328217741 /nfs/dbraw/zinc/21/77/41/328217741.db2.gz UXKCWQLXQHGJKN-HNNXBMFYSA-N 1 2 370.409 2.290 10 5 FEBELO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1n1cc[nH+]c1 ZINC000126181858 326484500 /nfs/dbraw/zinc/48/45/00/326484500.db2.gz ILBRHONAKQLDCR-DOMZBBRYSA-N 1 2 364.427 2.282 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000173419772 327255309 /nfs/dbraw/zinc/25/53/09/327255309.db2.gz JKISRIYFASXYQZ-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH+]cn1 ZINC000173419772 327255310 /nfs/dbraw/zinc/25/53/10/327255310.db2.gz JKISRIYFASXYQZ-AWEZNQCLSA-N 1 2 370.413 2.134 10 5 FEBELO O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)c([N+](=O)[O-])c1 ZINC000193893863 548401768 /nfs/dbraw/zinc/40/17/68/548401768.db2.gz CVFLMMMMBPGXNX-UHFFFAOYSA-N 1 2 358.358 2.370 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c(C)cccc2[N+](=O)[O-])nc[nH+]1 ZINC000194772093 548529888 /nfs/dbraw/zinc/52/98/88/548529888.db2.gz SKSAFFMXKPIDAZ-ZDUSSCGKSA-N 1 2 370.413 2.134 10 5 FEBELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c(C)cccc2[N+](=O)[O-])[nH+]cn1 ZINC000194772093 548529891 /nfs/dbraw/zinc/52/98/91/548529891.db2.gz SKSAFFMXKPIDAZ-ZDUSSCGKSA-N 1 2 370.413 2.134 10 5 FEBELO CCS(=O)(=O)CCNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301223964 553632658 /nfs/dbraw/zinc/63/26/58/553632658.db2.gz DXKUBYGRABEDIU-UHFFFAOYSA-N 1 2 350.400 2.207 10 5 FEBELO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248059072 672854219 /nfs/dbraw/zinc/85/42/19/672854219.db2.gz YAHZDHMRNXJLFL-LBPRGKRZSA-N 1 2 373.862 2.415 10 5 FEBELO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248059072 672854223 /nfs/dbraw/zinc/85/42/23/672854223.db2.gz YAHZDHMRNXJLFL-LBPRGKRZSA-N 1 2 373.862 2.415 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000101565257 543033631 /nfs/dbraw/zinc/03/36/31/543033631.db2.gz IXDLCDUXJDHHEK-DZGCQCFKSA-N 1 2 362.430 2.303 10 5 FEBELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000101565257 543033632 /nfs/dbraw/zinc/03/36/32/543033632.db2.gz IXDLCDUXJDHHEK-DZGCQCFKSA-N 1 2 362.430 2.303 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114201023 543507392 /nfs/dbraw/zinc/50/73/92/543507392.db2.gz KBDWLNKDEPXDBS-HNNXBMFYSA-N 1 2 359.386 2.492 10 5 FEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114201023 543507395 /nfs/dbraw/zinc/50/73/95/543507395.db2.gz KBDWLNKDEPXDBS-HNNXBMFYSA-N 1 2 359.386 2.492 10 5 FEBELO O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154683795 544936505 /nfs/dbraw/zinc/93/65/05/544936505.db2.gz AHKODANNNFNMLT-KRWDZBQOSA-N 1 2 368.393 2.032 10 5 FEBELO O=C(C[N@H+]1CC[C@H](Oc2cccnc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154683795 544936508 /nfs/dbraw/zinc/93/65/08/544936508.db2.gz AHKODANNNFNMLT-KRWDZBQOSA-N 1 2 368.393 2.032 10 5 FEBELO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000171409123 327137732 /nfs/dbraw/zinc/13/77/32/327137732.db2.gz FHMAFGDMYFDIQV-ZDUSSCGKSA-N 1 2 359.386 2.179 10 5 FEBELO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000171409123 327137733 /nfs/dbraw/zinc/13/77/33/327137733.db2.gz FHMAFGDMYFDIQV-ZDUSSCGKSA-N 1 2 359.386 2.179 10 5 FEBELO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302788136 553733270 /nfs/dbraw/zinc/73/32/70/553733270.db2.gz BTTZXRZFEYBERP-AWEZNQCLSA-N 1 2 364.421 2.257 10 5 FEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082360 543192182 /nfs/dbraw/zinc/19/21/82/543192182.db2.gz SOEUCQASYUNHSU-UHFFFAOYSA-N 1 2 370.413 2.208 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000106369957 543226039 /nfs/dbraw/zinc/22/60/39/543226039.db2.gz RKLBSLQFVWGZDA-UHFFFAOYSA-N 1 2 357.414 2.449 10 5 FEBELO Cc1c(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000109644565 325672541 /nfs/dbraw/zinc/67/25/41/325672541.db2.gz MQMPRQGOUJJOQB-IBGZPJMESA-N 1 2 369.421 2.395 10 5 FEBELO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171705309 327156276 /nfs/dbraw/zinc/15/62/76/327156276.db2.gz YWKHYAYKFDYSIP-LBPRGKRZSA-N 1 2 364.793 2.115 10 5 FEBELO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171705309 327156278 /nfs/dbraw/zinc/15/62/78/327156278.db2.gz YWKHYAYKFDYSIP-LBPRGKRZSA-N 1 2 364.793 2.115 10 5 FEBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000171705718 327156418 /nfs/dbraw/zinc/15/64/18/327156418.db2.gz GTKCMSNPIFUEAG-CQSZACIVSA-N 1 2 355.358 2.073 10 5 FEBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000171705718 327156419 /nfs/dbraw/zinc/15/64/19/327156419.db2.gz GTKCMSNPIFUEAG-CQSZACIVSA-N 1 2 355.358 2.073 10 5 FEBELO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000180992047 547226130 /nfs/dbraw/zinc/22/61/30/547226130.db2.gz OCTGAJWYOFPCQV-CYBMUJFWSA-N 1 2 353.444 2.156 10 5 FEBELO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000180992047 547226132 /nfs/dbraw/zinc/22/61/32/547226132.db2.gz OCTGAJWYOFPCQV-CYBMUJFWSA-N 1 2 353.444 2.156 10 5 FEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082974 543192447 /nfs/dbraw/zinc/19/24/47/543192447.db2.gz MJDBCBDBQZISSF-CYBMUJFWSA-N 1 2 370.413 2.288 10 5 FEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082578 543192561 /nfs/dbraw/zinc/19/25/61/543192561.db2.gz HYHVLZPXEFYHBL-ZDUSSCGKSA-N 1 2 370.413 2.288 10 5 FEBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)O)CC1 ZINC000111289076 543392964 /nfs/dbraw/zinc/39/29/64/543392964.db2.gz HLMBDOPCHHPGGN-VXGBXAGGSA-N 1 2 351.403 2.023 10 5 FEBELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000152191066 544623908 /nfs/dbraw/zinc/62/39/08/544623908.db2.gz DIXOFLSTSCQPRR-UHFFFAOYSA-N 1 2 358.402 2.024 10 5 FEBELO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187147292 328004813 /nfs/dbraw/zinc/00/48/13/328004813.db2.gz PIXWIYIRYDPZCZ-NSHDSACASA-N 1 2 353.338 2.372 10 5 FEBELO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116323883 326006568 /nfs/dbraw/zinc/00/65/68/326006568.db2.gz PEWRASLDXUHVSR-ZDUSSCGKSA-N 1 2 373.413 2.155 10 5 FEBELO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116323883 326006570 /nfs/dbraw/zinc/00/65/70/326006570.db2.gz PEWRASLDXUHVSR-ZDUSSCGKSA-N 1 2 373.413 2.155 10 5 FEBELO CS(=O)(=O)c1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000126180899 326484602 /nfs/dbraw/zinc/48/46/02/326484602.db2.gz DDMVMLPPKYBJPW-CQSZACIVSA-N 1 2 363.395 2.051 10 5 FEBELO CSc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000173967802 327298453 /nfs/dbraw/zinc/29/84/53/327298453.db2.gz VKYHHQJISTVBQC-WFASDCNBSA-N 1 2 365.455 2.109 10 5 FEBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000184827066 547883845 /nfs/dbraw/zinc/88/38/45/547883845.db2.gz PNGHXWZSRTYMMC-FUHWJXTLSA-N 1 2 361.442 2.097 10 5 FEBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000184827085 547883982 /nfs/dbraw/zinc/88/39/82/547883982.db2.gz PNGHXWZSRTYMMC-SJLPKXTDSA-N 1 2 361.442 2.097 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246174417 549069700 /nfs/dbraw/zinc/06/97/00/549069700.db2.gz SUTFTJXQCSGTHK-KGLIPLIRSA-N 1 2 372.429 2.413 10 5 FEBELO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246174417 549069702 /nfs/dbraw/zinc/06/97/02/549069702.db2.gz SUTFTJXQCSGTHK-KGLIPLIRSA-N 1 2 372.429 2.413 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246174423 549070106 /nfs/dbraw/zinc/07/01/06/549070106.db2.gz SUTFTJXQCSGTHK-ZIAGYGMSSA-N 1 2 372.429 2.413 10 5 FEBELO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246174423 549070108 /nfs/dbraw/zinc/07/01/08/549070108.db2.gz SUTFTJXQCSGTHK-ZIAGYGMSSA-N 1 2 372.429 2.413 10 5 FEBELO Cc1cccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000109645634 543330725 /nfs/dbraw/zinc/33/07/25/543330725.db2.gz KQQIMKKIRJNZIE-GOSISDBHSA-N 1 2 369.421 2.395 10 5 FEBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)O)CC1 ZINC000111289074 543392899 /nfs/dbraw/zinc/39/28/99/543392899.db2.gz HLMBDOPCHHPGGN-NWDGAFQWSA-N 1 2 351.403 2.023 10 5 FEBELO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000190650795 328222218 /nfs/dbraw/zinc/22/22/18/328222218.db2.gz VKWKHSYSSYXINJ-HNNXBMFYSA-N 1 2 370.409 2.290 10 5 FEBELO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000190650795 328222220 /nfs/dbraw/zinc/22/22/20/328222220.db2.gz VKWKHSYSSYXINJ-HNNXBMFYSA-N 1 2 370.409 2.290 10 5 FEBELO CCn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000190818021 328234073 /nfs/dbraw/zinc/23/40/73/328234073.db2.gz YSNCUIDJKHRCJU-QGZVFWFLSA-N 1 2 373.413 2.213 10 5 FEBELO CCn1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000190818021 328234075 /nfs/dbraw/zinc/23/40/75/328234075.db2.gz YSNCUIDJKHRCJU-QGZVFWFLSA-N 1 2 373.413 2.213 10 5 FEBELO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000193879987 328399961 /nfs/dbraw/zinc/39/99/61/328399961.db2.gz KFPZZFLTMLPVFC-GFCCVEGCSA-N 1 2 359.835 2.107 10 5 FEBELO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000193879987 328399963 /nfs/dbraw/zinc/39/99/63/328399963.db2.gz KFPZZFLTMLPVFC-GFCCVEGCSA-N 1 2 359.835 2.107 10 5 FEBELO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173931167 327295543 /nfs/dbraw/zinc/29/55/43/327295543.db2.gz BSBVQHMUHHCYED-GFCCVEGCSA-N 1 2 354.370 2.163 10 5 FEBELO CC[C@@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000175790588 327413378 /nfs/dbraw/zinc/41/33/78/327413378.db2.gz CSVQMVPMSTYZRB-CZUORRHYSA-N 1 2 350.419 2.066 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245201111 548900231 /nfs/dbraw/zinc/90/02/31/548900231.db2.gz OMWBSPHJQDJZHD-HIFRSBDPSA-N 1 2 362.430 2.303 10 5 FEBELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245201111 548900232 /nfs/dbraw/zinc/90/02/32/548900232.db2.gz OMWBSPHJQDJZHD-HIFRSBDPSA-N 1 2 362.430 2.303 10 5 FEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246207205 549078621 /nfs/dbraw/zinc/07/86/21/549078621.db2.gz DTPVTXGPPGGJIJ-UKRRQHHQSA-N 1 2 356.382 2.470 10 5 FEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246207205 549078627 /nfs/dbraw/zinc/07/86/27/549078627.db2.gz DTPVTXGPPGGJIJ-UKRRQHHQSA-N 1 2 356.382 2.470 10 5 FEBELO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000302024857 553698805 /nfs/dbraw/zinc/69/88/05/553698805.db2.gz HIXWTQWZKRLJJP-PMACEKPBSA-N 1 2 369.421 2.177 10 5 FEBELO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000302024857 553698807 /nfs/dbraw/zinc/69/88/07/553698807.db2.gz HIXWTQWZKRLJJP-PMACEKPBSA-N 1 2 369.421 2.177 10 5 FEBELO O=C(C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000302864367 553737625 /nfs/dbraw/zinc/73/76/25/553737625.db2.gz SWSKUEXXJPNNMM-UHFFFAOYSA-N 1 2 364.421 2.259 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])C2 ZINC000173374320 327252674 /nfs/dbraw/zinc/25/26/74/327252674.db2.gz LBXACAWCJPLOQN-UHFFFAOYSA-N 1 2 371.441 2.473 10 5 FEBELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000173626279 327272043 /nfs/dbraw/zinc/27/20/43/327272043.db2.gz QLEYJSVJTFTFEH-NEPJUHHUSA-N 1 2 358.402 2.200 10 5 FEBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000173731225 327279728 /nfs/dbraw/zinc/27/97/28/327279728.db2.gz RPTXUQAKPDPYEM-LBPRGKRZSA-N 1 2 370.818 2.298 10 5 FEBELO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173982645 327299637 /nfs/dbraw/zinc/29/96/37/327299637.db2.gz QPVPBFHYFWLGIE-NHYWBVRUSA-N 1 2 353.806 2.041 10 5 FEBELO CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000177732021 546675828 /nfs/dbraw/zinc/67/58/28/546675828.db2.gz GAUBYADWRBPXNC-OAHLLOKOSA-N 1 2 372.381 2.273 10 5 FEBELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000182241810 547458790 /nfs/dbraw/zinc/45/87/90/547458790.db2.gz HSPOGNPCQHLVJS-AWEZNQCLSA-N 1 2 374.441 2.250 10 5 FEBELO CC[C@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000274953135 550567391 /nfs/dbraw/zinc/56/73/91/550567391.db2.gz VKHQBJBXJKEMHS-HNNXBMFYSA-N 1 2 370.413 2.226 10 5 FEBELO CC[C@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1cccc([N+](=O)[O-])c1 ZINC000274953135 550567393 /nfs/dbraw/zinc/56/73/93/550567393.db2.gz VKHQBJBXJKEMHS-HNNXBMFYSA-N 1 2 370.413 2.226 10 5 FEBELO