smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857989795 928793588 /nfs/dbraw/zinc/79/35/88/928793588.db2.gz KVLHZTLOKISHBV-NSHDSACASA-N 1 2 286.291 1.975 10 5 CDBELO CC1(C)COCC[N@@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601114739 342471818 /nfs/dbraw/zinc/47/18/18/342471818.db2.gz WDWPQLZFLSYZIS-UHFFFAOYSA-N 1 2 298.318 1.652 10 5 CDBELO CC1(C)COCC[N@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601114739 342471819 /nfs/dbraw/zinc/47/18/19/342471819.db2.gz WDWPQLZFLSYZIS-UHFFFAOYSA-N 1 2 298.318 1.652 10 5 CDBELO Cn1c[nH+]c(CCNc2ncc(F)cc2[N+](=O)[O-])c1 ZINC000401217178 342483384 /nfs/dbraw/zinc/48/33/84/342483384.db2.gz RQWZQVOVNPEDDA-UHFFFAOYSA-N 1 2 265.248 1.517 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042513627 342265091 /nfs/dbraw/zinc/26/50/91/342265091.db2.gz ZIIDONNBUKIPCX-VIFPVBQESA-N 1 2 289.295 1.313 10 5 CDBELO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611502279 346806290 /nfs/dbraw/zinc/80/62/90/346806290.db2.gz QSJXKFRAWPQNNA-CABZTGNLSA-N 1 2 295.314 1.874 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611502279 346806293 /nfs/dbraw/zinc/80/62/93/346806293.db2.gz QSJXKFRAWPQNNA-CABZTGNLSA-N 1 2 295.314 1.874 10 5 CDBELO [NH3+]CC1(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000584051841 366253405 /nfs/dbraw/zinc/25/34/05/366253405.db2.gz VPVJYIGRAIXDBR-UHFFFAOYSA-N 1 2 265.269 1.368 10 5 CDBELO C[NH+](C)C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000330618436 203045226 /nfs/dbraw/zinc/04/52/26/203045226.db2.gz HHCIXOHHTVOQOE-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO CC(C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000275081199 374690140 /nfs/dbraw/zinc/69/01/40/374690140.db2.gz FGSOJINQIHVGEA-LBPRGKRZSA-N 1 2 281.312 1.825 10 5 CDBELO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280783563 375022905 /nfs/dbraw/zinc/02/29/05/375022905.db2.gz NNAWPZYSZYXECD-VIFPVBQESA-N 1 2 281.312 1.370 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H](O)C4(CC4)C3)nc2c1 ZINC000444668071 250162319 /nfs/dbraw/zinc/16/23/19/250162319.db2.gz BJMHRQAJTJBAQU-GFCCVEGCSA-N 1 2 288.307 1.428 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H](O)C4(CC4)C3)nc2c1 ZINC000444668071 250162326 /nfs/dbraw/zinc/16/23/26/250162326.db2.gz BJMHRQAJTJBAQU-GFCCVEGCSA-N 1 2 288.307 1.428 10 5 CDBELO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000457876430 391654372 /nfs/dbraw/zinc/65/43/72/391654372.db2.gz GZACSCVYTBDWGY-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO Cn1nccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000130414838 392902130 /nfs/dbraw/zinc/90/21/30/392902130.db2.gz HREKFGHHHGUZNX-UHFFFAOYSA-N 1 2 272.308 1.887 10 5 CDBELO Cn1nccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000130414838 392902138 /nfs/dbraw/zinc/90/21/38/392902138.db2.gz HREKFGHHHGUZNX-UHFFFAOYSA-N 1 2 272.308 1.887 10 5 CDBELO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000131427211 393201523 /nfs/dbraw/zinc/20/15/23/393201523.db2.gz OSWLZSLUYQGZIV-UHFFFAOYSA-N 1 2 288.263 1.954 10 5 CDBELO Cn1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000213211880 140160511 /nfs/dbraw/zinc/16/05/11/140160511.db2.gz SFYAGPAPWPJBGN-UHFFFAOYSA-N 1 2 252.299 1.680 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000339125378 398093059 /nfs/dbraw/zinc/09/30/59/398093059.db2.gz VAQDHNKCQUFZPV-ZWNOBZJWSA-N 1 2 280.324 1.941 10 5 CDBELO CC(C)Nc1nc[nH+]c(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040597694 174349356 /nfs/dbraw/zinc/34/93/56/174349356.db2.gz XGTXFIREQFUOEN-UHFFFAOYSA-N 1 2 268.321 1.920 10 5 CDBELO CCOC(=O)[C@@H]([NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000044356159 175167161 /nfs/dbraw/zinc/16/71/61/175167161.db2.gz NRPPLWWOIWMYCW-VIFPVBQESA-N 1 2 272.688 1.681 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000411914505 276739978 /nfs/dbraw/zinc/73/99/78/276739978.db2.gz QIVPAUBNPGELCH-UHFFFAOYSA-N 1 2 269.326 1.367 10 5 CDBELO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331232534 289211070 /nfs/dbraw/zinc/21/10/70/289211070.db2.gz JIFNUOOYTULLJZ-LLVKDONJSA-N 1 2 293.323 1.467 10 5 CDBELO Cc1cn2cc(NC(=O)c3c[nH]nc3[N+](=O)[O-])ccc2[nH+]1 ZINC000548944043 289948416 /nfs/dbraw/zinc/94/84/16/289948416.db2.gz WWNKLRMSHRVWPR-UHFFFAOYSA-N 1 2 286.251 1.526 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563285294 293333964 /nfs/dbraw/zinc/33/39/64/293333964.db2.gz XZQALERUZNDAKF-UHFFFAOYSA-N 1 2 289.295 1.686 10 5 CDBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](C)CC1 ZINC000276679374 301287272 /nfs/dbraw/zinc/28/72/72/301287272.db2.gz ORBIVDCSEKDXNS-UHFFFAOYSA-N 1 2 297.742 1.944 10 5 CDBELO CC[NH2+][C@@](C)(COc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000045462153 520136225 /nfs/dbraw/zinc/13/62/25/520136225.db2.gz OVBBAOJWAYJTFV-AWEZNQCLSA-N 1 2 296.323 1.905 10 5 CDBELO CC1(C)COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050817624 520505142 /nfs/dbraw/zinc/50/51/42/520505142.db2.gz ZKMYNZYNOKUKNC-UHFFFAOYSA-N 1 2 265.313 1.788 10 5 CDBELO CC1(C)COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050817624 520505149 /nfs/dbraw/zinc/50/51/49/520505149.db2.gz ZKMYNZYNOKUKNC-UHFFFAOYSA-N 1 2 265.313 1.788 10 5 CDBELO C[NH2+][C@@](C)(C[C@H](C)Oc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000068650977 522421516 /nfs/dbraw/zinc/42/15/16/522421516.db2.gz SFOQXYKQHNAKRL-HZMBPMFUSA-N 1 2 296.323 1.903 10 5 CDBELO CNc1[nH+]cnc2c1cnn2-c1ccc([N+](=O)[O-])cc1 ZINC000062366828 522718216 /nfs/dbraw/zinc/71/82/16/522718216.db2.gz KNUORALLBWUMOP-UHFFFAOYSA-N 1 2 270.252 1.765 10 5 CDBELO Cn1ccc([C@@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000905718282 626939112 /nfs/dbraw/zinc/93/91/12/626939112.db2.gz ONADDDNAWAYUMI-LLVKDONJSA-N 1 2 290.327 1.362 10 5 CDBELO Cn1ccc([C@@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000905718282 626939116 /nfs/dbraw/zinc/93/91/16/626939116.db2.gz ONADDDNAWAYUMI-LLVKDONJSA-N 1 2 290.327 1.362 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000793260061 678138299 /nfs/dbraw/zinc/13/82/99/678138299.db2.gz ZVSMWAYLQFNEGD-UHFFFAOYSA-N 1 2 290.279 1.431 10 5 CDBELO C[N@H+](CC[S@@](C)=O)Cc1ccccc1[N+](=O)[O-] ZINC000798193375 678237866 /nfs/dbraw/zinc/23/78/66/678237866.db2.gz KWHNSLIFKBZLCC-QGZVFWFLSA-N 1 2 256.327 1.405 10 5 CDBELO C[N@@H+](CC[S@@](C)=O)Cc1ccccc1[N+](=O)[O-] ZINC000798193375 678237868 /nfs/dbraw/zinc/23/78/68/678237868.db2.gz KWHNSLIFKBZLCC-QGZVFWFLSA-N 1 2 256.327 1.405 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)cs1 ZINC000879361656 679468121 /nfs/dbraw/zinc/46/81/21/679468121.db2.gz KMQSVMFYDRFEMY-WDEREUQCSA-N 1 2 286.353 1.222 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)cs1 ZINC000879361656 679468124 /nfs/dbraw/zinc/46/81/24/679468124.db2.gz KMQSVMFYDRFEMY-WDEREUQCSA-N 1 2 286.353 1.222 10 5 CDBELO Cc1nnc([C@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001643450656 1167251985 /nfs/dbraw/zinc/25/19/85/1167251985.db2.gz ZRGWAYFZCRRBBR-JTQLQIEISA-N 1 2 288.311 1.406 10 5 CDBELO Cc1nnc([C@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001643450656 1167251990 /nfs/dbraw/zinc/25/19/90/1167251990.db2.gz ZRGWAYFZCRRBBR-JTQLQIEISA-N 1 2 288.311 1.406 10 5 CDBELO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC001643450656 1167251999 /nfs/dbraw/zinc/25/19/99/1167251999.db2.gz ZRGWAYFZCRRBBR-JTQLQIEISA-N 1 2 288.311 1.406 10 5 CDBELO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC001643450656 1167252004 /nfs/dbraw/zinc/25/20/04/1167252004.db2.gz ZRGWAYFZCRRBBR-JTQLQIEISA-N 1 2 288.311 1.406 10 5 CDBELO Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001643834652 1167275022 /nfs/dbraw/zinc/27/50/22/1167275022.db2.gz DYEIBUBNFGRXJG-UHFFFAOYSA-N 1 2 274.280 1.485 10 5 CDBELO Cc1c[nH+]cc(C)c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC001584251446 1172810152 /nfs/dbraw/zinc/81/01/52/1172810152.db2.gz OTBNSNSVRRWGSU-UHFFFAOYSA-N 1 2 286.291 1.984 10 5 CDBELO O=C(Nc1cc[nH]n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001136506750 931094750 /nfs/dbraw/zinc/09/47/50/931094750.db2.gz DRPIRWCADGAFTH-UHFFFAOYSA-N 1 2 298.262 1.756 10 5 CDBELO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000687592553 934333440 /nfs/dbraw/zinc/33/34/40/934333440.db2.gz JRLYSZKYOVJTNI-JTQLQIEISA-N 1 2 285.731 1.361 10 5 CDBELO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000687592553 934333449 /nfs/dbraw/zinc/33/34/49/934333449.db2.gz JRLYSZKYOVJTNI-JTQLQIEISA-N 1 2 285.731 1.361 10 5 CDBELO O=[N+]([O-])c1cccc2ncnc(N3CCc4[nH+]c[nH]c4C3)c21 ZINC001458417759 969298105 /nfs/dbraw/zinc/29/81/05/969298105.db2.gz WMZMAAPSZVHMJN-UHFFFAOYSA-N 1 2 296.290 1.824 10 5 CDBELO CCc1[nH]c(CNc2ncc([N+](=O)[O-])c(C)n2)c[nH+]1 ZINC001458653637 969330807 /nfs/dbraw/zinc/33/08/07/969330807.db2.gz HUYMKOYWXOZINH-UHFFFAOYSA-N 1 2 262.273 1.591 10 5 CDBELO CCc1[nH]cc(CNc2ncc([N+](=O)[O-])c(C)n2)[nH+]1 ZINC001458653637 969330810 /nfs/dbraw/zinc/33/08/10/969330810.db2.gz HUYMKOYWXOZINH-UHFFFAOYSA-N 1 2 262.273 1.591 10 5 CDBELO Cc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cccc1[N+](=O)[O-] ZINC000593103229 342768016 /nfs/dbraw/zinc/76/80/16/342768016.db2.gz WXHVFTOILPHBDV-ZKTNFTSUSA-N 1 2 280.349 1.608 10 5 CDBELO Cc1c(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cccc1[N+](=O)[O-] ZINC000593103229 342768017 /nfs/dbraw/zinc/76/80/17/342768017.db2.gz WXHVFTOILPHBDV-ZKTNFTSUSA-N 1 2 280.349 1.608 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000595443867 343062944 /nfs/dbraw/zinc/06/29/44/343062944.db2.gz CGFVLGHJBYKFPD-CQSZACIVSA-N 1 2 296.298 1.725 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000595443867 343062946 /nfs/dbraw/zinc/06/29/46/343062946.db2.gz CGFVLGHJBYKFPD-CQSZACIVSA-N 1 2 296.298 1.725 10 5 CDBELO CCN1OC[C@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595483919 343065624 /nfs/dbraw/zinc/06/56/24/343065624.db2.gz JPHQCHKAYRMNDE-ZDUSSCGKSA-N 1 2 293.323 1.231 10 5 CDBELO CCN1OC[C@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595483919 343065626 /nfs/dbraw/zinc/06/56/26/343065626.db2.gz JPHQCHKAYRMNDE-ZDUSSCGKSA-N 1 2 293.323 1.231 10 5 CDBELO Cc1noc(C[N@H+]2CCC[C@H](O)[C@@H]2C)c1[N+](=O)[O-] ZINC000595513847 343082596 /nfs/dbraw/zinc/08/25/96/343082596.db2.gz HEFRZYFBMGQWFR-IUCAKERBSA-N 1 2 255.274 1.236 10 5 CDBELO Cc1noc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)c1[N+](=O)[O-] ZINC000595513847 343082597 /nfs/dbraw/zinc/08/25/97/343082597.db2.gz HEFRZYFBMGQWFR-IUCAKERBSA-N 1 2 255.274 1.236 10 5 CDBELO Cc1ccc(NC[C@@H]2COCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000599160497 343971213 /nfs/dbraw/zinc/97/12/13/343971213.db2.gz KRUKSZJKLZMGPO-LLVKDONJSA-N 1 2 265.313 1.646 10 5 CDBELO Cc1ccc(NC[C@@H]2COCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000599160497 343971216 /nfs/dbraw/zinc/97/12/16/343971216.db2.gz KRUKSZJKLZMGPO-LLVKDONJSA-N 1 2 265.313 1.646 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599779165 344140430 /nfs/dbraw/zinc/14/04/30/344140430.db2.gz IVHPCEHMINOQES-LBPRGKRZSA-N 1 2 294.311 1.047 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599779165 344140432 /nfs/dbraw/zinc/14/04/32/344140432.db2.gz IVHPCEHMINOQES-LBPRGKRZSA-N 1 2 294.311 1.047 10 5 CDBELO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293411308 362559314 /nfs/dbraw/zinc/55/93/14/362559314.db2.gz MLIMOMJLGZEVKP-VHSXEESVSA-N 1 2 263.297 1.874 10 5 CDBELO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293411308 362559317 /nfs/dbraw/zinc/55/93/17/362559317.db2.gz MLIMOMJLGZEVKP-VHSXEESVSA-N 1 2 263.297 1.874 10 5 CDBELO CCOc1cccc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000134925681 356661035 /nfs/dbraw/zinc/66/10/35/356661035.db2.gz DOKPWSVBGCERPW-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO CCOc1cccc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000134925681 356661037 /nfs/dbraw/zinc/66/10/37/356661037.db2.gz DOKPWSVBGCERPW-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO Cc1c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000185170102 357517570 /nfs/dbraw/zinc/51/75/70/357517570.db2.gz LZDIGSNUSPVWBI-HNNXBMFYSA-N 1 2 292.335 1.895 10 5 CDBELO Cc1c(C[N@H+]2CCO[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000185170102 357517572 /nfs/dbraw/zinc/51/75/72/357517572.db2.gz LZDIGSNUSPVWBI-HNNXBMFYSA-N 1 2 292.335 1.895 10 5 CDBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263000893 358928310 /nfs/dbraw/zinc/92/83/10/358928310.db2.gz OUHCKKJOUCDYAR-SNVBAGLBSA-N 1 2 299.277 1.550 10 5 CDBELO CC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000339077598 359285322 /nfs/dbraw/zinc/28/53/22/359285322.db2.gz UPKLXXXMTPDIFP-NSHDSACASA-N 1 2 251.286 1.119 10 5 CDBELO CC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000339077598 359285329 /nfs/dbraw/zinc/28/53/29/359285329.db2.gz UPKLXXXMTPDIFP-NSHDSACASA-N 1 2 251.286 1.119 10 5 CDBELO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000339137531 359299946 /nfs/dbraw/zinc/29/99/46/359299946.db2.gz UFYQSODIPGDPTK-LBPRGKRZSA-N 1 2 296.323 1.538 10 5 CDBELO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000339137531 359299948 /nfs/dbraw/zinc/29/99/48/359299948.db2.gz UFYQSODIPGDPTK-LBPRGKRZSA-N 1 2 296.323 1.538 10 5 CDBELO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000190328952 373346994 /nfs/dbraw/zinc/34/69/94/373346994.db2.gz FXXHBWHCLYNYTN-SECBINFHSA-N 1 2 284.341 1.326 10 5 CDBELO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000190328952 373346998 /nfs/dbraw/zinc/34/69/98/373346998.db2.gz FXXHBWHCLYNYTN-SECBINFHSA-N 1 2 284.341 1.326 10 5 CDBELO CN1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000191663341 373507503 /nfs/dbraw/zinc/50/75/03/373507503.db2.gz AILJTZSSDLMQTA-QPJJXVBHSA-N 1 2 289.335 1.772 10 5 CDBELO CN1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000191663341 373507507 /nfs/dbraw/zinc/50/75/07/373507507.db2.gz AILJTZSSDLMQTA-QPJJXVBHSA-N 1 2 289.335 1.772 10 5 CDBELO Cc1cccc(Nc2nc[nH+]c(NN(C)C)c2[N+](=O)[O-])n1 ZINC000040584657 174345621 /nfs/dbraw/zinc/34/56/21/174345621.db2.gz KOTUOWZXHALCLP-UHFFFAOYSA-N 1 2 289.299 1.720 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NCCc1cn(C)c[nH+]1 ZINC000313448602 270325136 /nfs/dbraw/zinc/32/51/36/270325136.db2.gz WCMZPCLVWINALP-UHFFFAOYSA-N 1 2 261.285 1.686 10 5 CDBELO C[N@@H+]1CCO[C@H](CSc2ncc([N+](=O)[O-])cc2F)C1 ZINC000563050548 293257501 /nfs/dbraw/zinc/25/75/01/293257501.db2.gz XQOUFMYCKHQWMX-VIFPVBQESA-N 1 2 287.316 1.552 10 5 CDBELO C[N@H+]1CCO[C@H](CSc2ncc([N+](=O)[O-])cc2F)C1 ZINC000563050548 293257502 /nfs/dbraw/zinc/25/75/02/293257502.db2.gz XQOUFMYCKHQWMX-VIFPVBQESA-N 1 2 287.316 1.552 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(=O)OC ZINC000050814330 522645292 /nfs/dbraw/zinc/64/52/92/522645292.db2.gz HLLJQBGZMYZZLS-ZDUSSCGKSA-N 1 2 293.323 1.774 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(=O)OC ZINC000050814330 522645301 /nfs/dbraw/zinc/64/53/01/522645301.db2.gz HLLJQBGZMYZZLS-ZDUSSCGKSA-N 1 2 293.323 1.774 10 5 CDBELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817782 524082612 /nfs/dbraw/zinc/08/26/12/524082612.db2.gz HHTWOZLEOLUQEY-LBPRGKRZSA-N 1 2 292.339 1.347 10 5 CDBELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817782 524082613 /nfs/dbraw/zinc/08/26/13/524082613.db2.gz HHTWOZLEOLUQEY-LBPRGKRZSA-N 1 2 292.339 1.347 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761101539 576548694 /nfs/dbraw/zinc/54/86/94/576548694.db2.gz XQQJPBLVKRIRPT-PWSUYJOCSA-N 1 2 275.308 1.936 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761101539 576548697 /nfs/dbraw/zinc/54/86/97/576548697.db2.gz XQQJPBLVKRIRPT-PWSUYJOCSA-N 1 2 275.308 1.936 10 5 CDBELO C[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000814046588 681224609 /nfs/dbraw/zinc/22/46/09/681224609.db2.gz HGQGOBIUNOHDHH-NWDGAFQWSA-N 1 2 292.335 1.642 10 5 CDBELO C[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000814046588 681224623 /nfs/dbraw/zinc/22/46/23/681224623.db2.gz HGQGOBIUNOHDHH-NWDGAFQWSA-N 1 2 292.335 1.642 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000839631980 683077248 /nfs/dbraw/zinc/07/72/48/683077248.db2.gz DBQRTPHVLBZFAJ-UHFFFAOYSA-N 1 2 281.287 1.444 10 5 CDBELO COc1cc(C[N@@H+]2CCCN(C=O)CC2)ccc1[N+](=O)[O-] ZINC000839022491 683727567 /nfs/dbraw/zinc/72/75/67/683727567.db2.gz WIQJJQUNSTZFLA-UHFFFAOYSA-N 1 2 293.323 1.268 10 5 CDBELO COc1cc(C[N@H+]2CCCN(C=O)CC2)ccc1[N+](=O)[O-] ZINC000839022491 683727574 /nfs/dbraw/zinc/72/75/74/683727574.db2.gz WIQJJQUNSTZFLA-UHFFFAOYSA-N 1 2 293.323 1.268 10 5 CDBELO Cn1c[nH+]cc1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000811846667 683881525 /nfs/dbraw/zinc/88/15/25/683881525.db2.gz YIQDYMIRCZYOHH-UHFFFAOYSA-N 1 2 277.284 1.015 10 5 CDBELO CC[N@H+](C)[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813104420 684100148 /nfs/dbraw/zinc/10/01/48/684100148.db2.gz CHGIPQGISLOARY-AAEUAGOBSA-N 1 2 280.324 1.888 10 5 CDBELO CC[N@@H+](C)[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813104420 684100149 /nfs/dbraw/zinc/10/01/49/684100149.db2.gz CHGIPQGISLOARY-AAEUAGOBSA-N 1 2 280.324 1.888 10 5 CDBELO O=C(c1csc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637317696 1166745777 /nfs/dbraw/zinc/74/57/77/1166745777.db2.gz NBXNQTJNSBBDPO-UWVGGRQHSA-N 1 2 299.327 1.525 10 5 CDBELO O=C(c1csc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637317696 1166745783 /nfs/dbraw/zinc/74/57/83/1166745783.db2.gz NBXNQTJNSBBDPO-UWVGGRQHSA-N 1 2 299.327 1.525 10 5 CDBELO C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001639634181 1166958432 /nfs/dbraw/zinc/95/84/32/1166958432.db2.gz XYWLFXOSYVMLAG-JTQLQIEISA-N 1 2 288.307 1.780 10 5 CDBELO Cn1cc[nH+]c1CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001135679409 930347378 /nfs/dbraw/zinc/34/73/78/930347378.db2.gz NTGDGOKGWIKWKX-UHFFFAOYSA-N 1 2 274.280 1.900 10 5 CDBELO Cn1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001655068492 1171664784 /nfs/dbraw/zinc/66/47/84/1171664784.db2.gz DDJMAYCUEVFXRQ-UHFFFAOYSA-N 1 2 290.323 1.839 10 5 CDBELO Cn1ccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001655068492 1171664790 /nfs/dbraw/zinc/66/47/90/1171664790.db2.gz DDJMAYCUEVFXRQ-UHFFFAOYSA-N 1 2 290.323 1.839 10 5 CDBELO O=[N+]([O-])c1sccc1NC1CC([NH+]2CCOCC2)C1 ZINC000601180949 342487675 /nfs/dbraw/zinc/48/76/75/342487675.db2.gz AHKPCAOJBMLBKV-UHFFFAOYSA-N 1 2 283.353 1.931 10 5 CDBELO CN(CCC[NH+](C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234225276 342042908 /nfs/dbraw/zinc/04/29/08/342042908.db2.gz CTIIZDURYBHCMA-UHFFFAOYSA-N 1 2 281.312 1.324 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101780 342767780 /nfs/dbraw/zinc/76/77/80/342767780.db2.gz ZIDLNIPZGJVNGD-JOOBJXAISA-N 1 2 296.348 1.309 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593101780 342767782 /nfs/dbraw/zinc/76/77/82/342767782.db2.gz ZIDLNIPZGJVNGD-JOOBJXAISA-N 1 2 296.348 1.309 10 5 CDBELO COc1cc(C[N@H+](C)Cc2n[nH]c(=O)o2)ccc1[N+](=O)[O-] ZINC000595547920 343085133 /nfs/dbraw/zinc/08/51/33/343085133.db2.gz UHGMYEDXFAAGPQ-UHFFFAOYSA-N 1 2 294.267 1.324 10 5 CDBELO COc1cc(C[N@@H+](C)Cc2n[nH]c(=O)o2)ccc1[N+](=O)[O-] ZINC000595547920 343085134 /nfs/dbraw/zinc/08/51/34/343085134.db2.gz UHGMYEDXFAAGPQ-UHFFFAOYSA-N 1 2 294.267 1.324 10 5 CDBELO O=C(Cn1cc[nH+]c1)NCCc1ccccc1[N+](=O)[O-] ZINC000081465905 342369417 /nfs/dbraw/zinc/36/94/17/342369417.db2.gz PGECXOWOHYRTOA-UHFFFAOYSA-N 1 2 274.280 1.150 10 5 CDBELO COC[C@@H](O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599063567 343947441 /nfs/dbraw/zinc/94/74/41/343947441.db2.gz CWLRDFZWUAODIM-NSHDSACASA-N 1 2 291.307 1.952 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2COCC[N@H+]2C)c1 ZINC000599159511 343970656 /nfs/dbraw/zinc/97/06/56/343970656.db2.gz CJLVENHYXJHSJI-LLVKDONJSA-N 1 2 265.313 1.646 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000599159511 343970658 /nfs/dbraw/zinc/97/06/58/343970658.db2.gz CJLVENHYXJHSJI-LLVKDONJSA-N 1 2 265.313 1.646 10 5 CDBELO CC[C@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000271833716 191356315 /nfs/dbraw/zinc/35/63/15/191356315.db2.gz XPBDRFQRFUZNGF-JTQLQIEISA-N 1 2 277.284 1.247 10 5 CDBELO O=[N+]([O-])c1cnccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000338057634 358734222 /nfs/dbraw/zinc/73/42/22/358734222.db2.gz ULXIANWERWWZTI-NSHDSACASA-N 1 2 285.307 1.498 10 5 CDBELO CCn1cc[nH+]c1[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000450835682 359012764 /nfs/dbraw/zinc/01/27/64/359012764.db2.gz XMVZZMDOKUBDKA-VIFPVBQESA-N 1 2 261.285 1.801 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2nncc2C1 ZINC000570057066 359271642 /nfs/dbraw/zinc/27/16/42/359271642.db2.gz RVDAIDVPRAUNCJ-UHFFFAOYSA-N 1 2 289.295 1.211 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2nncc2C1 ZINC000570057066 359271646 /nfs/dbraw/zinc/27/16/46/359271646.db2.gz RVDAIDVPRAUNCJ-UHFFFAOYSA-N 1 2 289.295 1.211 10 5 CDBELO O=[N+]([O-])c1cnccc1NCCCNc1cccc[nH+]1 ZINC000340152174 359579768 /nfs/dbraw/zinc/57/97/68/359579768.db2.gz ROMRNWISUAEPBU-UHFFFAOYSA-N 1 2 273.296 1.721 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH+]c[nH]1 ZINC000088753325 366555948 /nfs/dbraw/zinc/55/59/48/366555948.db2.gz RVEXZNIRFKGXOF-UHFFFAOYSA-N 1 2 260.253 1.556 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH]c[nH+]1 ZINC000088753325 366555951 /nfs/dbraw/zinc/55/59/51/366555951.db2.gz RVEXZNIRFKGXOF-UHFFFAOYSA-N 1 2 260.253 1.556 10 5 CDBELO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275350908 193007469 /nfs/dbraw/zinc/00/74/69/193007469.db2.gz ZTBVMHJFTSJIKD-IINYFYTJSA-N 1 2 278.308 1.539 10 5 CDBELO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275350908 193007471 /nfs/dbraw/zinc/00/74/71/193007471.db2.gz ZTBVMHJFTSJIKD-IINYFYTJSA-N 1 2 278.308 1.539 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000275389948 193019166 /nfs/dbraw/zinc/01/91/66/193019166.db2.gz AVXJRYCHYUDVKI-SNVBAGLBSA-N 1 2 275.312 1.883 10 5 CDBELO Cc1ccc[nH+]c1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000295675156 370566795 /nfs/dbraw/zinc/56/67/95/370566795.db2.gz GKTUAYORVFXQTH-UHFFFAOYSA-N 1 2 274.284 1.325 10 5 CDBELO C[NH+](C)CC(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280818073 375026812 /nfs/dbraw/zinc/02/68/12/375026812.db2.gz RWDGEJGZKZKQEJ-UHFFFAOYSA-N 1 2 295.339 1.618 10 5 CDBELO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cn1cc[nH+]c1 ZINC000282357844 375080278 /nfs/dbraw/zinc/08/02/78/375080278.db2.gz BCMITZXKUYDQNY-UHFFFAOYSA-N 1 2 288.307 1.492 10 5 CDBELO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000057326846 375416911 /nfs/dbraw/zinc/41/69/11/375416911.db2.gz WRAYKIPWXIRUPO-UHFFFAOYSA-N 1 2 279.340 1.941 10 5 CDBELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000057326846 375416917 /nfs/dbraw/zinc/41/69/17/375416917.db2.gz WRAYKIPWXIRUPO-UHFFFAOYSA-N 1 2 279.340 1.941 10 5 CDBELO O=[N+]([O-])c1cnc(N2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000192479342 392082309 /nfs/dbraw/zinc/08/23/09/392082309.db2.gz XWXYCGSFRFVOEF-SECBINFHSA-N 1 2 279.325 1.917 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000189077820 287180177 /nfs/dbraw/zinc/18/01/77/287180177.db2.gz LQULIZZECAAXHU-SNVBAGLBSA-N 1 2 263.297 1.305 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000189077820 287180180 /nfs/dbraw/zinc/18/01/80/287180180.db2.gz LQULIZZECAAXHU-SNVBAGLBSA-N 1 2 263.297 1.305 10 5 CDBELO O=[N+]([O-])c1cccc(C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000057911804 279190928 /nfs/dbraw/zinc/19/09/28/279190928.db2.gz VOBBQPGEKQIVMD-UHFFFAOYSA-N 1 2 285.294 1.978 10 5 CDBELO O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000563094511 293271974 /nfs/dbraw/zinc/27/19/74/293271974.db2.gz LOOPZKIOHZZROU-SECBINFHSA-N 1 2 279.296 1.629 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000574451037 295001602 /nfs/dbraw/zinc/00/16/02/295001602.db2.gz ZKXKHBMRVJXEFV-JTQLQIEISA-N 1 2 291.307 1.629 10 5 CDBELO CCOC(=O)[C@@](C)([NH3+])COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442081 521153734 /nfs/dbraw/zinc/15/37/34/521153734.db2.gz PRTLGTJIPABAKV-AWEZNQCLSA-N 1 2 296.323 1.871 10 5 CDBELO COC(=O)[C@@H]([NH3+])COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471828 523601101 /nfs/dbraw/zinc/60/11/01/523601101.db2.gz HZEWSCOSEJZGIX-QMMMGPOBSA-N 1 2 274.660 1.127 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(F)c1)N1CCn2cc[nH+]c2C1 ZINC000062253445 526713481 /nfs/dbraw/zinc/71/34/81/526713481.db2.gz GIFRADSSFHUUOI-UHFFFAOYSA-N 1 2 290.254 1.586 10 5 CDBELO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934034776 617881378 /nfs/dbraw/zinc/88/13/78/617881378.db2.gz BBAFETXWONHDOG-DGCLKSJQSA-N 1 2 282.296 1.194 10 5 CDBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912909456 630276075 /nfs/dbraw/zinc/27/60/75/630276075.db2.gz RYVAVCULWQBQLW-SNVBAGLBSA-N 1 2 291.307 1.221 10 5 CDBELO O=[N+]([O-])c1nccn1Cc1[nH+]ccn1CC(F)F ZINC000918397221 632365178 /nfs/dbraw/zinc/36/51/78/632365178.db2.gz YIBWFVRNLXFYTK-UHFFFAOYSA-N 1 2 257.200 1.301 10 5 CDBELO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019559 684755160 /nfs/dbraw/zinc/75/51/60/684755160.db2.gz ZVJJXPIQZQPRFP-IUCAKERBSA-N 1 2 283.303 1.909 10 5 CDBELO CC(C)NC(=O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017480 685889161 /nfs/dbraw/zinc/88/91/61/685889161.db2.gz AKLYEKLKBSHVIP-SECBINFHSA-N 1 2 283.303 1.909 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840082267 686288780 /nfs/dbraw/zinc/28/87/80/686288780.db2.gz CKGCLOFSCNCOJQ-LBPRGKRZSA-N 1 2 276.296 1.623 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840082267 686288790 /nfs/dbraw/zinc/28/87/90/686288790.db2.gz CKGCLOFSCNCOJQ-LBPRGKRZSA-N 1 2 276.296 1.623 10 5 CDBELO COC[C@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000167525451 687148836 /nfs/dbraw/zinc/14/88/36/687148836.db2.gz GAHFQKISACBKPK-VIFPVBQESA-N 1 2 264.241 1.291 10 5 CDBELO C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000711134437 687898075 /nfs/dbraw/zinc/89/80/75/687898075.db2.gz GRCAAFHBYDAQPZ-ZETCQYMHSA-N 1 2 271.704 1.554 10 5 CDBELO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000711134437 687898083 /nfs/dbraw/zinc/89/80/83/687898083.db2.gz GRCAAFHBYDAQPZ-ZETCQYMHSA-N 1 2 271.704 1.554 10 5 CDBELO Nc1[nH+]ccc2c1CN(C(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC001642211930 1167160390 /nfs/dbraw/zinc/16/03/90/1167160390.db2.gz HDVVXLLWWJEONS-UHFFFAOYSA-N 1 2 299.290 1.166 10 5 CDBELO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1F ZINC000139444381 1177409705 /nfs/dbraw/zinc/40/97/05/1177409705.db2.gz OOUASMSYZPEBRB-UHFFFAOYSA-N 1 2 278.243 1.430 10 5 CDBELO CC(C)c1[nH]cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]1 ZINC001179092271 915743108 /nfs/dbraw/zinc/74/31/08/915743108.db2.gz LEFRMEVYKQULJL-UHFFFAOYSA-N 1 2 282.344 1.985 10 5 CDBELO CC(C)c1[nH]c(CNC(=O)CCC(C)(C)[N+](=O)[O-])c[nH+]1 ZINC001179092271 915743117 /nfs/dbraw/zinc/74/31/17/915743117.db2.gz LEFRMEVYKQULJL-UHFFFAOYSA-N 1 2 282.344 1.985 10 5 CDBELO Cc1[nH]c(CNc2c([N+](=O)[O-])cnn2C)[nH+]c1C ZINC001164190460 939428081 /nfs/dbraw/zinc/42/80/81/939428081.db2.gz CEELSPOTNDXCOX-UHFFFAOYSA-N 1 2 250.262 1.280 10 5 CDBELO Cc1nnc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC001473362811 970782574 /nfs/dbraw/zinc/78/25/74/970782574.db2.gz VHADFOFWOVKNIR-ZETCQYMHSA-N 1 2 280.288 1.142 10 5 CDBELO O=C1NCCC[C@@H]1[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319541054 958618219 /nfs/dbraw/zinc/61/82/19/958618219.db2.gz LIJMKVQFJCAIRT-LBPRGKRZSA-N 1 2 261.281 1.189 10 5 CDBELO O=C1NCCC[C@@H]1[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319541054 958618224 /nfs/dbraw/zinc/61/82/24/958618224.db2.gz LIJMKVQFJCAIRT-LBPRGKRZSA-N 1 2 261.281 1.189 10 5 CDBELO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1noc(C)n1 ZINC001559736515 960806186 /nfs/dbraw/zinc/80/61/86/960806186.db2.gz NCTDFFXFGOQWTM-JTQLQIEISA-N 1 2 294.315 1.532 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001468694718 970187322 /nfs/dbraw/zinc/18/73/22/970187322.db2.gz RACOURBHJKHKOQ-SNVBAGLBSA-N 1 2 264.285 1.210 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001468694718 970187323 /nfs/dbraw/zinc/18/73/23/970187323.db2.gz RACOURBHJKHKOQ-SNVBAGLBSA-N 1 2 264.285 1.210 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC000591153027 342619833 /nfs/dbraw/zinc/61/98/33/342619833.db2.gz JNOKNWABBAXBQU-UHFFFAOYSA-N 1 2 277.259 1.654 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCO[C@@H]1CC1(F)F)CC2 ZINC000595422140 343055614 /nfs/dbraw/zinc/05/56/14/343055614.db2.gz GNKLUSKYUUVGIO-GFCCVEGCSA-N 1 2 299.277 1.772 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCO[C@@H]1CC1(F)F)CC2 ZINC000595422140 343055615 /nfs/dbraw/zinc/05/56/15/343055615.db2.gz GNKLUSKYUUVGIO-GFCCVEGCSA-N 1 2 299.277 1.772 10 5 CDBELO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000610576152 346316681 /nfs/dbraw/zinc/31/66/81/346316681.db2.gz VYOXVDJYFWQSPI-BXUZGUMPSA-N 1 2 292.339 1.147 10 5 CDBELO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1[nH]cc[nH+]1 ZINC000347944229 359956927 /nfs/dbraw/zinc/95/69/27/359956927.db2.gz DRHNDRDRGYUYHL-LLVKDONJSA-N 1 2 289.295 1.902 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1N(C)Cc1ccc(N)[nH+]c1 ZINC000135986065 360212714 /nfs/dbraw/zinc/21/27/14/360212714.db2.gz MBNNELDEUVIIAM-UHFFFAOYSA-N 1 2 273.296 1.912 10 5 CDBELO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])nc2)CCO1 ZINC000580479373 363914739 /nfs/dbraw/zinc/91/47/39/363914739.db2.gz WTYZCIQNYWJLNG-JTQLQIEISA-N 1 2 266.301 1.122 10 5 CDBELO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])nc2)CCO1 ZINC000580479373 363914744 /nfs/dbraw/zinc/91/47/44/363914744.db2.gz WTYZCIQNYWJLNG-JTQLQIEISA-N 1 2 266.301 1.122 10 5 CDBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(CO)C3)c2c1 ZINC000413232043 240582787 /nfs/dbraw/zinc/58/27/87/240582787.db2.gz MQSGQLGFWGQOLU-UHFFFAOYSA-N 1 2 259.265 1.572 10 5 CDBELO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nncn1C ZINC000037562891 369079631 /nfs/dbraw/zinc/07/96/31/369079631.db2.gz AZHFOJAJCITWKX-ZETCQYMHSA-N 1 2 267.314 1.636 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248956909 374307807 /nfs/dbraw/zinc/30/78/07/374307807.db2.gz FXVRRBMSSCYWSZ-SUNKGSAMSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000248956909 374307813 /nfs/dbraw/zinc/30/78/13/374307813.db2.gz FXVRRBMSSCYWSZ-SUNKGSAMSA-N 1 2 280.324 1.737 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])s1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195039516 375976640 /nfs/dbraw/zinc/97/66/40/375976640.db2.gz MJOXAQCZDGQCME-SNVBAGLBSA-N 1 2 295.364 1.967 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])s1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195039516 375976645 /nfs/dbraw/zinc/97/66/45/375976645.db2.gz MJOXAQCZDGQCME-SNVBAGLBSA-N 1 2 295.364 1.967 10 5 CDBELO O=C1NCCNc2c3cc([N+](=O)[O-])ccc3[nH+]cc21 ZINC000053994740 284891190 /nfs/dbraw/zinc/89/11/90/284891190.db2.gz ZTIJLEBRPIITCD-UHFFFAOYSA-N 1 2 258.237 1.298 10 5 CDBELO C[C@H]([N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)O ZINC000451364964 390614378 /nfs/dbraw/zinc/61/43/78/390614378.db2.gz DKDXKIPNZPKGBJ-VIFPVBQESA-N 1 2 268.313 1.892 10 5 CDBELO C[C@H]([N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)O ZINC000451364964 390614380 /nfs/dbraw/zinc/61/43/80/390614380.db2.gz DKDXKIPNZPKGBJ-VIFPVBQESA-N 1 2 268.313 1.892 10 5 CDBELO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000574133830 391052385 /nfs/dbraw/zinc/05/23/85/391052385.db2.gz QDALTNAWGOMTJT-GZMMTYOYSA-N 1 2 287.279 1.622 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185158307 148390054 /nfs/dbraw/zinc/39/00/54/148390054.db2.gz LSXPJOVPKZYPNH-GHMZBOCLSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185158307 148390059 /nfs/dbraw/zinc/39/00/59/148390059.db2.gz LSXPJOVPKZYPNH-GHMZBOCLSA-N 1 2 286.715 1.176 10 5 CDBELO CCOC(=O)[C@H]([NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044340521 175163900 /nfs/dbraw/zinc/16/39/00/175163900.db2.gz AFZRDVMZCAMXOS-SECBINFHSA-N 1 2 272.688 1.681 10 5 CDBELO O=[N+]([O-])c1ccccc1CC[N@H+]1CCCN(CCO)CC1 ZINC000071350491 176133901 /nfs/dbraw/zinc/13/39/01/176133901.db2.gz VNTWJCCDQXEXMN-UHFFFAOYSA-N 1 2 293.367 1.137 10 5 CDBELO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCCN(CCO)CC1 ZINC000071350491 176133902 /nfs/dbraw/zinc/13/39/02/176133902.db2.gz VNTWJCCDQXEXMN-UHFFFAOYSA-N 1 2 293.367 1.137 10 5 CDBELO Cc1nn(C)c(N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000370273625 279198356 /nfs/dbraw/zinc/19/83/56/279198356.db2.gz YNLLJHOWUHUTCB-UHFFFAOYSA-N 1 2 290.327 1.744 10 5 CDBELO Cc1nn(C)c(N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000370273625 279198360 /nfs/dbraw/zinc/19/83/60/279198360.db2.gz YNLLJHOWUHUTCB-UHFFFAOYSA-N 1 2 290.327 1.744 10 5 CDBELO C[C@@H]1[C@H](C)N(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000354465140 289011864 /nfs/dbraw/zinc/01/18/64/289011864.db2.gz SGLRXYDWGPECDL-ZJUUUORDSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1[C@H](C)N(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000354465140 289011867 /nfs/dbraw/zinc/01/18/67/289011867.db2.gz SGLRXYDWGPECDL-ZJUUUORDSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@H]1CC[N@H+](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000562683702 293173557 /nfs/dbraw/zinc/17/35/57/293173557.db2.gz WTMXXUHQBXHMAD-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO C[C@H]1CC[N@@H+](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000562683702 293173559 /nfs/dbraw/zinc/17/35/59/293173559.db2.gz WTMXXUHQBXHMAD-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO CCOC(=O)[C@@H](CCOc1cccc([N+](=O)[O-])c1)[NH2+]C ZINC000062539268 521061921 /nfs/dbraw/zinc/06/19/21/521061921.db2.gz BYBUAMKZLLPDOC-GFCCVEGCSA-N 1 2 282.296 1.515 10 5 CDBELO C[NH2+][C@@H](CCOc1cc(C)ccc1[N+](=O)[O-])C(=O)OC ZINC000062539862 522345999 /nfs/dbraw/zinc/34/59/99/522345999.db2.gz IPOQLZPPYGOYTP-JTQLQIEISA-N 1 2 282.296 1.433 10 5 CDBELO C[NH2+][C@H](CCOc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000062540284 522460925 /nfs/dbraw/zinc/46/09/25/522460925.db2.gz BRXRWLMWSSQGLZ-SNVBAGLBSA-N 1 2 298.295 1.133 10 5 CDBELO O=[N+]([O-])c1c(Cl)ncnc1N1CC[NH+](C2CC2)CC1 ZINC000050455314 527318871 /nfs/dbraw/zinc/31/88/71/527318871.db2.gz LTWATVLQFHGGPH-UHFFFAOYSA-N 1 2 283.719 1.323 10 5 CDBELO O=C(Cc1ccc([N+](=O)[O-])cc1)OCCn1cc[nH+]c1 ZINC000771862773 575629601 /nfs/dbraw/zinc/62/96/01/575629601.db2.gz XSFLHZDFNSIONJ-UHFFFAOYSA-N 1 2 275.264 1.577 10 5 CDBELO CC(C)[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000812291386 688395656 /nfs/dbraw/zinc/39/56/56/688395656.db2.gz NTCNJRIIBNSDDB-SNVBAGLBSA-N 1 2 254.290 1.248 10 5 CDBELO CC(C)[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000812291386 688395660 /nfs/dbraw/zinc/39/56/60/688395660.db2.gz NTCNJRIIBNSDDB-SNVBAGLBSA-N 1 2 254.290 1.248 10 5 CDBELO Cn1ncc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000848550662 688492249 /nfs/dbraw/zinc/49/22/49/688492249.db2.gz SWXVZXTWGZLRJS-GFCCVEGCSA-N 1 2 273.296 1.500 10 5 CDBELO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C ZINC000928435924 692210650 /nfs/dbraw/zinc/21/06/50/692210650.db2.gz HVRGRRKRVTVLAK-LDYMZIIASA-N 1 2 279.296 1.123 10 5 CDBELO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000928435924 692210658 /nfs/dbraw/zinc/21/06/58/692210658.db2.gz HVRGRRKRVTVLAK-LDYMZIIASA-N 1 2 279.296 1.123 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857982647 693071454 /nfs/dbraw/zinc/07/14/54/693071454.db2.gz KVXQRCXQWNHQJH-LLVKDONJSA-N 1 2 286.291 1.975 10 5 CDBELO O=[N+]([O-])CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000931547147 693087912 /nfs/dbraw/zinc/08/79/12/693087912.db2.gz CQSLBCLFKLDVFD-UHFFFAOYSA-N 1 2 280.328 1.793 10 5 CDBELO Cc1cc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001129858515 1162500221 /nfs/dbraw/zinc/50/02/21/1162500221.db2.gz MOSDNFWRNPRNFG-UHFFFAOYSA-N 1 2 289.295 1.270 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001290429843 954047555 /nfs/dbraw/zinc/04/75/55/954047555.db2.gz IJLCADJMGDWSBB-LLVKDONJSA-N 1 2 263.297 1.936 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001290429843 954047561 /nfs/dbraw/zinc/04/75/61/954047561.db2.gz IJLCADJMGDWSBB-LLVKDONJSA-N 1 2 263.297 1.936 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001527793606 968733643 /nfs/dbraw/zinc/73/36/43/968733643.db2.gz DXXHVGFMDPOSJR-UHFFFAOYSA-N 1 2 274.280 1.301 10 5 CDBELO CCn1nc(C)c([N+](=O)[O-])c1NCc1c[nH+]cn1C ZINC000291082010 342476589 /nfs/dbraw/zinc/47/65/89/342476589.db2.gz IHCXODRQZHGPHS-UHFFFAOYSA-N 1 2 264.289 1.465 10 5 CDBELO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000594405586 342900760 /nfs/dbraw/zinc/90/07/60/342900760.db2.gz XUZWRXNMUZVEMA-JGZJWPJOSA-N 1 2 293.323 1.370 10 5 CDBELO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595755800 343141903 /nfs/dbraw/zinc/14/19/03/343141903.db2.gz CVEBVGHQDGVPOF-SMDDNHRTSA-N 1 2 278.308 1.769 10 5 CDBELO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595755800 343141904 /nfs/dbraw/zinc/14/19/04/343141904.db2.gz CVEBVGHQDGVPOF-SMDDNHRTSA-N 1 2 278.308 1.769 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cn(C)nn1 ZINC000597210481 343475730 /nfs/dbraw/zinc/47/57/30/343475730.db2.gz NANOYYCYQBECCW-UHFFFAOYSA-N 1 2 275.312 1.664 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cn(C)nn1 ZINC000597210481 343475733 /nfs/dbraw/zinc/47/57/33/343475733.db2.gz NANOYYCYQBECCW-UHFFFAOYSA-N 1 2 275.312 1.664 10 5 CDBELO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)[NH2+]1 ZINC000598535533 343828000 /nfs/dbraw/zinc/82/80/00/343828000.db2.gz FZNIEZCUURKZRO-GXSJLCMTSA-N 1 2 293.323 1.513 10 5 CDBELO CC(C)([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000104316106 185965258 /nfs/dbraw/zinc/96/52/58/185965258.db2.gz WRMFNTJBTLFHQL-UHFFFAOYSA-N 1 2 271.704 1.602 10 5 CDBELO O=C1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000062100297 362995858 /nfs/dbraw/zinc/99/58/58/362995858.db2.gz AQTNGQPHTOSBPC-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO O=C1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000062100297 362995861 /nfs/dbraw/zinc/99/58/61/362995861.db2.gz AQTNGQPHTOSBPC-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO CC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000339077597 359285359 /nfs/dbraw/zinc/28/53/59/359285359.db2.gz UPKLXXXMTPDIFP-LLVKDONJSA-N 1 2 251.286 1.119 10 5 CDBELO CC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000339077597 359285367 /nfs/dbraw/zinc/28/53/67/359285367.db2.gz UPKLXXXMTPDIFP-LLVKDONJSA-N 1 2 251.286 1.119 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCn3c[nH+]cc3C2)n1 ZINC000357586764 375918025 /nfs/dbraw/zinc/91/80/25/375918025.db2.gz YSJBASQFMIBPFI-UHFFFAOYSA-N 1 2 273.296 1.823 10 5 CDBELO CC1(CO)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459624056 392494246 /nfs/dbraw/zinc/49/42/46/392494246.db2.gz TUOPNHNREJTWFI-XQRVVYSFSA-N 1 2 262.309 1.922 10 5 CDBELO CNC(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420971618 392922565 /nfs/dbraw/zinc/92/25/65/392922565.db2.gz IKKBCSQQQDYCQR-MRVPVSSYSA-N 1 2 299.277 1.441 10 5 CDBELO CNC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420971618 392922567 /nfs/dbraw/zinc/92/25/67/392922567.db2.gz IKKBCSQQQDYCQR-MRVPVSSYSA-N 1 2 299.277 1.441 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+]2CCC1CC2 ZINC000188862646 140103479 /nfs/dbraw/zinc/10/34/79/140103479.db2.gz ZGAFWALSYFULLE-UHFFFAOYSA-N 1 2 291.307 1.221 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000339203209 296508216 /nfs/dbraw/zinc/50/82/16/296508216.db2.gz GADZYVMEUGWZIO-CYBMUJFWSA-N 1 2 280.324 1.941 10 5 CDBELO CC(C)(CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N+](=O)[O-] ZINC001584613757 1172834792 /nfs/dbraw/zinc/83/47/92/1172834792.db2.gz AGTNLCSWNMGPHK-LLVKDONJSA-N 1 2 294.355 1.951 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000349964170 154289878 /nfs/dbraw/zinc/28/98/78/154289878.db2.gz DIBAYDDWGQZJHR-LBPRGKRZSA-N 1 2 291.351 1.956 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000349964170 154289880 /nfs/dbraw/zinc/28/98/80/154289880.db2.gz DIBAYDDWGQZJHR-LBPRGKRZSA-N 1 2 291.351 1.956 10 5 CDBELO Cn1c[nH+]cc1Cc1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000357940971 157842666 /nfs/dbraw/zinc/84/26/66/157842666.db2.gz XSRHTFCKDNRYHQ-UHFFFAOYSA-N 1 2 285.263 1.969 10 5 CDBELO O=[N+]([O-])c1c(Nc2ccccn2)ncnc1-n1cc[nH+]c1 ZINC000040646952 174365028 /nfs/dbraw/zinc/36/50/28/174365028.db2.gz UPLXZPYGTSUUPR-UHFFFAOYSA-N 1 2 283.251 1.709 10 5 CDBELO COC(=O)[C@@H]([NH3+])Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000044330698 175163974 /nfs/dbraw/zinc/16/39/74/175163974.db2.gz BYKHCLNVFXNCNL-QMMMGPOBSA-N 1 2 258.661 1.291 10 5 CDBELO C[C@@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450818118 278905455 /nfs/dbraw/zinc/90/54/55/278905455.db2.gz HOUKEAOGRIKDLD-PSASIEDQSA-N 1 2 259.269 1.726 10 5 CDBELO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000362062582 279373687 /nfs/dbraw/zinc/37/36/87/279373687.db2.gz DZGOGBCFWWBZNK-AYLIAGHASA-N 1 2 286.353 1.499 10 5 CDBELO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000362062582 279373690 /nfs/dbraw/zinc/37/36/90/279373690.db2.gz DZGOGBCFWWBZNK-AYLIAGHASA-N 1 2 286.353 1.499 10 5 CDBELO Cc1ccc(N2CC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000301473235 280595681 /nfs/dbraw/zinc/59/56/81/280595681.db2.gz LRTWKOHBEDMAAR-ZDUSSCGKSA-N 1 2 291.351 1.814 10 5 CDBELO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050814108 520474401 /nfs/dbraw/zinc/47/44/01/520474401.db2.gz QBXXTPWJRBGBLV-UHFFFAOYSA-N 1 2 265.313 1.788 10 5 CDBELO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050814108 520474393 /nfs/dbraw/zinc/47/43/93/520474393.db2.gz QBXXTPWJRBGBLV-UHFFFAOYSA-N 1 2 265.313 1.788 10 5 CDBELO C[C@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050813584 524720145 /nfs/dbraw/zinc/72/01/45/524720145.db2.gz GUQIOOYLAYSFER-VIFPVBQESA-N 1 2 251.286 1.398 10 5 CDBELO C[C@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050813584 524720152 /nfs/dbraw/zinc/72/01/52/524720152.db2.gz GUQIOOYLAYSFER-VIFPVBQESA-N 1 2 251.286 1.398 10 5 CDBELO C[C@@H]1[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719337469 695887766 /nfs/dbraw/zinc/88/77/66/695887766.db2.gz NAVTZAIBUCUVKP-LDYMZIIASA-N 1 2 279.296 1.123 10 5 CDBELO C[C@@H]1[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719337469 695887767 /nfs/dbraw/zinc/88/77/67/695887767.db2.gz NAVTZAIBUCUVKP-LDYMZIIASA-N 1 2 279.296 1.123 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1csc([N+](=O)[O-])c1 ZINC000857984690 695969512 /nfs/dbraw/zinc/96/95/12/695969512.db2.gz DSJRRAWQAPNFGH-MRVPVSSYSA-N 1 2 278.293 1.728 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC001129649112 1162489138 /nfs/dbraw/zinc/48/91/38/1162489138.db2.gz RPDIHPKHCSOCPT-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cn1)n1cc[nH+]c1 ZINC001630604099 1166216102 /nfs/dbraw/zinc/21/61/02/1166216102.db2.gz ZBYFPCYUHDEUHB-UHFFFAOYSA-N 1 2 289.295 1.351 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC001634085299 1166468343 /nfs/dbraw/zinc/46/83/43/1166468343.db2.gz UMLDRQWOEFBOJC-SNVBAGLBSA-N 1 2 287.279 1.370 10 5 CDBELO CNC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001654085533 1171591420 /nfs/dbraw/zinc/59/14/20/1171591420.db2.gz IKCJFYDGCMHVCY-NSHDSACASA-N 1 2 296.302 1.237 10 5 CDBELO CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001654085533 1171591428 /nfs/dbraw/zinc/59/14/28/1171591428.db2.gz IKCJFYDGCMHVCY-NSHDSACASA-N 1 2 296.302 1.237 10 5 CDBELO Cn1cc(C[NH2+][C@H](CCO)c2ccco2)c([N+](=O)[O-])n1 ZINC001654248261 1171599347 /nfs/dbraw/zinc/59/93/47/1171599347.db2.gz BZQOHNAZDXIUIY-SNVBAGLBSA-N 1 2 280.284 1.135 10 5 CDBELO Cc1c(NC(=O)C[C@@H]([NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000724726801 725409793 /nfs/dbraw/zinc/40/97/93/725409793.db2.gz GHSZBGRLHKOZMY-SSDOTTSWSA-N 1 2 273.239 1.824 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928222 725554036 /nfs/dbraw/zinc/55/40/36/725554036.db2.gz ULHFANBMYANJJK-JTQLQIEISA-N 1 2 286.282 1.975 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928222 725554046 /nfs/dbraw/zinc/55/40/46/725554046.db2.gz ULHFANBMYANJJK-JTQLQIEISA-N 1 2 286.282 1.975 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NCc1ccc[nH+]c1N ZINC001186478698 920033820 /nfs/dbraw/zinc/03/38/20/920033820.db2.gz CFBQCGQQLKTSCF-UHFFFAOYSA-N 1 2 259.269 1.888 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001137261123 931406228 /nfs/dbraw/zinc/40/62/28/931406228.db2.gz ZDQYXLBKDUEUQY-UHFFFAOYSA-N 1 2 292.299 1.081 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1[nH+]ccn1C ZINC001349649230 966420262 /nfs/dbraw/zinc/42/02/62/966420262.db2.gz MMKFIQHHZVZTHY-UHFFFAOYSA-N 1 2 289.295 1.004 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2cn(C)c[nH+]2)n1 ZINC001528213609 968823417 /nfs/dbraw/zinc/82/34/17/968823417.db2.gz POJVLVOFSFNISZ-UHFFFAOYSA-N 1 2 289.295 1.004 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC001459874233 969455039 /nfs/dbraw/zinc/45/50/39/969455039.db2.gz NFEOVAJWMALAQT-VXNVDRBHSA-N 1 2 255.274 1.094 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC001459874233 969455041 /nfs/dbraw/zinc/45/50/41/969455041.db2.gz NFEOVAJWMALAQT-VXNVDRBHSA-N 1 2 255.274 1.094 10 5 CDBELO Cc1sc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000590377734 342540991 /nfs/dbraw/zinc/54/09/91/342540991.db2.gz TWLHKTNVOLAUTM-UHFFFAOYSA-N 1 2 292.320 1.886 10 5 CDBELO Cc1sc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000590377734 342540992 /nfs/dbraw/zinc/54/09/92/342540992.db2.gz TWLHKTNVOLAUTM-UHFFFAOYSA-N 1 2 292.320 1.886 10 5 CDBELO CN(C)C(=O)CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599017099 343944475 /nfs/dbraw/zinc/94/44/75/343944475.db2.gz YBSLVYJIPLKILQ-UHFFFAOYSA-N 1 2 288.307 1.667 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943282 343924042 /nfs/dbraw/zinc/92/40/42/343924042.db2.gz GDRMIXQQLPZZGV-SNVBAGLBSA-N 1 2 286.291 1.454 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000599159427 343970461 /nfs/dbraw/zinc/97/04/61/343970461.db2.gz BOQBWHZUWCQXIF-QMMMGPOBSA-N 1 2 284.291 1.059 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000599159427 343970464 /nfs/dbraw/zinc/97/04/64/343970464.db2.gz BOQBWHZUWCQXIF-QMMMGPOBSA-N 1 2 284.291 1.059 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000599160798 343970848 /nfs/dbraw/zinc/97/08/48/343970848.db2.gz OGMDFYQZNQBTNK-SNVBAGLBSA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCOC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000599160798 343970850 /nfs/dbraw/zinc/97/08/50/343970850.db2.gz OGMDFYQZNQBTNK-SNVBAGLBSA-N 1 2 269.276 1.476 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282769851 357473521 /nfs/dbraw/zinc/47/35/21/357473521.db2.gz PMLOZSRPKFKWRX-CYBMUJFWSA-N 1 2 298.364 1.522 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282769851 357473525 /nfs/dbraw/zinc/47/35/25/357473525.db2.gz PMLOZSRPKFKWRX-CYBMUJFWSA-N 1 2 298.364 1.522 10 5 CDBELO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000270617874 366911585 /nfs/dbraw/zinc/91/15/85/366911585.db2.gz JMHDTHHDDXFMTJ-SNVBAGLBSA-N 1 2 298.730 1.491 10 5 CDBELO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000270617874 366911595 /nfs/dbraw/zinc/91/15/95/366911595.db2.gz JMHDTHHDDXFMTJ-SNVBAGLBSA-N 1 2 298.730 1.491 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000414564203 241258763 /nfs/dbraw/zinc/25/87/63/241258763.db2.gz COSVUJNSTOYQTB-NTMLRVMTSA-N 1 2 292.335 1.690 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000414564203 241258767 /nfs/dbraw/zinc/25/87/67/241258767.db2.gz COSVUJNSTOYQTB-NTMLRVMTSA-N 1 2 292.335 1.690 10 5 CDBELO C[C@H](O)[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000414564201 241259153 /nfs/dbraw/zinc/25/91/53/241259153.db2.gz COSVUJNSTOYQTB-HKBBKRBJSA-N 1 2 292.335 1.690 10 5 CDBELO C[C@H](O)[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000414564201 241259157 /nfs/dbraw/zinc/25/91/57/241259157.db2.gz COSVUJNSTOYQTB-HKBBKRBJSA-N 1 2 292.335 1.690 10 5 CDBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)C(F)(F)F)C2 ZINC000547308152 373419457 /nfs/dbraw/zinc/41/94/57/373419457.db2.gz XQJVXIXVXKZCNF-NSHDSACASA-N 1 2 290.241 1.876 10 5 CDBELO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)C(F)(F)F)C2 ZINC000547308152 373419462 /nfs/dbraw/zinc/41/94/62/373419462.db2.gz XQJVXIXVXKZCNF-NSHDSACASA-N 1 2 290.241 1.876 10 5 CDBELO CCC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000092546241 374697178 /nfs/dbraw/zinc/69/71/78/374697178.db2.gz PUGCAOZLCRRZJM-NSHDSACASA-N 1 2 281.312 1.969 10 5 CDBELO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000352951447 375556312 /nfs/dbraw/zinc/55/63/12/375556312.db2.gz NJCSAVBPRYXFKO-SNVBAGLBSA-N 1 2 293.323 1.324 10 5 CDBELO COC(=O)CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352998280 375563212 /nfs/dbraw/zinc/56/32/12/375563212.db2.gz CMCKLIQUCDLPAN-UHFFFAOYSA-N 1 2 279.296 1.301 10 5 CDBELO COC(=O)CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352998280 375563218 /nfs/dbraw/zinc/56/32/18/375563218.db2.gz CMCKLIQUCDLPAN-UHFFFAOYSA-N 1 2 279.296 1.301 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+](C2CC2)CC1 ZINC000133794713 375836307 /nfs/dbraw/zinc/83/63/07/375836307.db2.gz ZNEHGUHUDPMAAZ-UHFFFAOYSA-N 1 2 291.307 1.221 10 5 CDBELO Cn1c[nH+]cc1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000357581835 378327671 /nfs/dbraw/zinc/32/76/71/378327671.db2.gz NXBQBCQEENWJFU-UHFFFAOYSA-N 1 2 283.291 1.911 10 5 CDBELO C[C@H]1C(=O)NCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189080958 391079286 /nfs/dbraw/zinc/07/92/86/391079286.db2.gz ILSCGZNJEJRZOG-NTYUQYKDSA-N 1 2 289.335 1.818 10 5 CDBELO C[C@H]1C(=O)NCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189080958 391079290 /nfs/dbraw/zinc/07/92/90/391079290.db2.gz ILSCGZNJEJRZOG-NTYUQYKDSA-N 1 2 289.335 1.818 10 5 CDBELO COc1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000421013667 392926025 /nfs/dbraw/zinc/92/60/25/392926025.db2.gz GHZPQBQPNWATGN-AWEZNQCLSA-N 1 2 278.308 1.968 10 5 CDBELO COc1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1[N+](=O)[O-] ZINC000421013667 392926027 /nfs/dbraw/zinc/92/60/27/392926027.db2.gz GHZPQBQPNWATGN-AWEZNQCLSA-N 1 2 278.308 1.968 10 5 CDBELO CC[N@H+](CCNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000280682221 393152266 /nfs/dbraw/zinc/15/22/66/393152266.db2.gz CONLCAGMWDHEPG-UHFFFAOYSA-N 1 2 293.323 1.515 10 5 CDBELO CC[N@@H+](CCNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000280682221 393152267 /nfs/dbraw/zinc/15/22/67/393152267.db2.gz CONLCAGMWDHEPG-UHFFFAOYSA-N 1 2 293.323 1.515 10 5 CDBELO Cn1cc[nH+]c1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771921 147094675 /nfs/dbraw/zinc/09/46/75/147094675.db2.gz INHLIVKFUUHITO-UHFFFAOYSA-N 1 2 272.268 1.817 10 5 CDBELO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000305757511 149155308 /nfs/dbraw/zinc/15/53/08/149155308.db2.gz FIAOYSIXXNPFCN-WCBMZHEXSA-N 1 2 256.327 1.859 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000305757511 149155309 /nfs/dbraw/zinc/15/53/09/149155309.db2.gz FIAOYSIXXNPFCN-WCBMZHEXSA-N 1 2 256.327 1.859 10 5 CDBELO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000426789718 279383399 /nfs/dbraw/zinc/38/33/99/279383399.db2.gz XDGMRCFSGCZSJI-JTQLQIEISA-N 1 2 295.339 1.759 10 5 CDBELO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000426789718 279383402 /nfs/dbraw/zinc/38/34/02/279383402.db2.gz XDGMRCFSGCZSJI-JTQLQIEISA-N 1 2 295.339 1.759 10 5 CDBELO CCC[NH2+][C@H](CCOc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000062539390 520079188 /nfs/dbraw/zinc/07/91/88/520079188.db2.gz KYEPLDFBRFUIQM-LLVKDONJSA-N 1 2 296.323 1.905 10 5 CDBELO COC(=O)[C@@](C)([NH3+])COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442078 523817424 /nfs/dbraw/zinc/81/74/24/523817424.db2.gz SXJUIGDEQUGLIY-ZDUSSCGKSA-N 1 2 282.296 1.481 10 5 CDBELO COC(=O)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726433 523884621 /nfs/dbraw/zinc/88/46/21/523884621.db2.gz BPMLXWKECZRIIH-VIFPVBQESA-N 1 2 252.270 1.288 10 5 CDBELO Nc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050815253 527482094 /nfs/dbraw/zinc/48/20/94/527482094.db2.gz FWSDISIXANTLEW-JSGCOSHPSA-N 1 2 277.324 1.930 10 5 CDBELO Nc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050815253 527482098 /nfs/dbraw/zinc/48/20/98/527482098.db2.gz FWSDISIXANTLEW-JSGCOSHPSA-N 1 2 277.324 1.930 10 5 CDBELO Nc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)c[nH+]1 ZINC000050829994 527486547 /nfs/dbraw/zinc/48/65/47/527486547.db2.gz BEGQCSVOQGEUAW-UHFFFAOYSA-N 1 2 298.100 1.579 10 5 CDBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898482381 621753659 /nfs/dbraw/zinc/75/36/59/621753659.db2.gz BNESIWMJKASWAB-GFCCVEGCSA-N 1 2 295.314 1.759 10 5 CDBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898482381 621753664 /nfs/dbraw/zinc/75/36/64/621753664.db2.gz BNESIWMJKASWAB-GFCCVEGCSA-N 1 2 295.314 1.759 10 5 CDBELO CC[C@@H](C[NH+]1CCOCC1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001612939514 1165526158 /nfs/dbraw/zinc/52/61/58/1165526158.db2.gz IBQZKPISDYJBSS-JTQLQIEISA-N 1 2 296.327 1.218 10 5 CDBELO CCc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC001639092792 1166895968 /nfs/dbraw/zinc/89/59/68/1166895968.db2.gz AVZIUDLSMXZMBG-UHFFFAOYSA-N 1 2 292.270 1.949 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC001639092792 1166895978 /nfs/dbraw/zinc/89/59/78/1166895978.db2.gz AVZIUDLSMXZMBG-UHFFFAOYSA-N 1 2 292.270 1.949 10 5 CDBELO CC1(C(N)=O)C[NH+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000829052381 726109748 /nfs/dbraw/zinc/10/97/48/726109748.db2.gz ZWGQLSFQHNXURZ-UHFFFAOYSA-N 1 2 267.260 1.041 10 5 CDBELO CCN(OC)C(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000842768130 727461872 /nfs/dbraw/zinc/46/18/72/727461872.db2.gz IYISWFPXABBIHV-UHFFFAOYSA-N 1 2 273.314 1.156 10 5 CDBELO NC(=O)c1cc(NCc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC001163075780 939192174 /nfs/dbraw/zinc/19/21/74/939192174.db2.gz DBQDEFMLRQWOHT-UHFFFAOYSA-N 1 2 287.279 1.283 10 5 CDBELO COc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC001291857071 954117576 /nfs/dbraw/zinc/11/75/76/954117576.db2.gz ANKMLFNLJPUASP-UHFFFAOYSA-N 1 2 290.279 1.185 10 5 CDBELO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c(C)c[nH+]cc1C ZINC001462728767 969713732 /nfs/dbraw/zinc/71/37/32/969713732.db2.gz BJZZWIWZIIHCBK-UHFFFAOYSA-N 1 2 289.295 1.172 10 5 CDBELO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000590445675 342546692 /nfs/dbraw/zinc/54/66/92/342546692.db2.gz QNIMHOHLCXHBIQ-MWLCHTKSSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000590445675 342546693 /nfs/dbraw/zinc/54/66/93/342546693.db2.gz QNIMHOHLCXHBIQ-MWLCHTKSSA-N 1 2 291.307 1.077 10 5 CDBELO CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258175 342683422 /nfs/dbraw/zinc/68/34/22/342683422.db2.gz QEAPDUNKRYUJIS-SNVBAGLBSA-N 1 2 265.269 1.237 10 5 CDBELO CC(C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC000592258582 342683543 /nfs/dbraw/zinc/68/35/43/342683543.db2.gz VYOOYQSIKHKYBF-PELKAZGASA-N 1 2 281.312 1.858 10 5 CDBELO COc1c(C)[nH+]cnc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000594549205 342916228 /nfs/dbraw/zinc/91/62/28/342916228.db2.gz ZMXPNUSDWGKJRX-UHFFFAOYSA-N 1 2 288.307 1.778 10 5 CDBELO COc1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000595756061 343142183 /nfs/dbraw/zinc/14/21/83/343142183.db2.gz DEHKSCASFXUWOB-IINYFYTJSA-N 1 2 296.298 1.699 10 5 CDBELO COc1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000595756061 343142186 /nfs/dbraw/zinc/14/21/86/343142186.db2.gz DEHKSCASFXUWOB-IINYFYTJSA-N 1 2 296.298 1.699 10 5 CDBELO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000602713962 344554244 /nfs/dbraw/zinc/55/42/44/344554244.db2.gz QVKHXZLARXJJCA-UHFFFAOYSA-N 1 2 263.253 1.881 10 5 CDBELO Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000542807140 362614648 /nfs/dbraw/zinc/61/46/48/362614648.db2.gz JYXZECIUSAWEEX-UHFFFAOYSA-N 1 2 275.268 1.014 10 5 CDBELO C[C@@H]([NH2+]Cc1nncn1C)c1ccccc1[N+](=O)[O-] ZINC000038007365 346375754 /nfs/dbraw/zinc/37/57/54/346375754.db2.gz DUMRZYBDLVBPMA-SECBINFHSA-N 1 2 261.285 1.574 10 5 CDBELO CN(C)c1cc[nH+]c(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000612345113 347123788 /nfs/dbraw/zinc/12/37/88/347123788.db2.gz AYUOLUKOWRNMFZ-UHFFFAOYSA-N 1 2 290.283 1.042 10 5 CDBELO CN(C)c1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000614050575 347970677 /nfs/dbraw/zinc/97/06/77/347970677.db2.gz MSVNBAUGZVAKIV-UHFFFAOYSA-N 1 2 289.295 1.069 10 5 CDBELO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614530025 348136287 /nfs/dbraw/zinc/13/62/87/348136287.db2.gz YKRVJFZTQKPMML-SECBINFHSA-N 1 2 271.342 1.159 10 5 CDBELO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614530025 348136289 /nfs/dbraw/zinc/13/62/89/348136289.db2.gz YKRVJFZTQKPMML-SECBINFHSA-N 1 2 271.342 1.159 10 5 CDBELO CCN1OC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000616016676 349245150 /nfs/dbraw/zinc/24/51/50/349245150.db2.gz BOFWMJUZGSMPQY-PWSUYJOCSA-N 1 2 293.323 1.716 10 5 CDBELO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000155740647 188224747 /nfs/dbraw/zinc/22/47/47/188224747.db2.gz RFDOMJIKZJGXIN-IUCAKERBSA-N 1 2 283.353 1.821 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2[nH]cc[nH+]2)c1 ZINC000360128334 356822625 /nfs/dbraw/zinc/82/26/25/356822625.db2.gz OVFXLVOOEUCOEU-UHFFFAOYSA-N 1 2 290.279 1.741 10 5 CDBELO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186275701 357633935 /nfs/dbraw/zinc/63/39/35/357633935.db2.gz NMWIENRDJHCAFW-JTQLQIEISA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186275701 357633941 /nfs/dbraw/zinc/63/39/41/357633941.db2.gz NMWIENRDJHCAFW-JTQLQIEISA-N 1 2 279.296 1.124 10 5 CDBELO COCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000190325346 358067297 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C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000362062583 159055149 /nfs/dbraw/zinc/05/51/49/159055149.db2.gz DZGOGBCFWWBZNK-HOGDKLEQSA-N 1 2 286.353 1.499 10 5 CDBELO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000362062583 159055152 /nfs/dbraw/zinc/05/51/52/159055152.db2.gz DZGOGBCFWWBZNK-HOGDKLEQSA-N 1 2 286.353 1.499 10 5 CDBELO Cc1cc(C)n(-c2nc[nH+]c(NN(C)C)c2[N+](=O)[O-])n1 ZINC000040629066 174357445 /nfs/dbraw/zinc/35/74/45/174357445.db2.gz GJSLVMDNZPJELL-UHFFFAOYSA-N 1 2 277.288 1.076 10 5 CDBELO O=C(Cn1cc[nH+]c1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089421098 279261070 /nfs/dbraw/zinc/26/10/70/279261070.db2.gz GIMULSYMBAFJMO-UHFFFAOYSA-N 1 2 286.251 1.306 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000408446831 281013397 /nfs/dbraw/zinc/01/33/97/281013397.db2.gz RGBAUFKGRFIEKJ-CYBMUJFWSA-N 1 2 291.351 1.814 10 5 CDBELO C[NH2+][C@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000068651570 522520501 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[NH3+]Cc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000842650248 729057759 /nfs/dbraw/zinc/05/77/59/729057759.db2.gz QBSBNHSILOXNBR-NXEZZACHSA-N 1 2 260.253 1.328 10 5 CDBELO Cc1ccc(NC(=O)C[C@H]([NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000724726478 729674207 /nfs/dbraw/zinc/67/42/07/729674207.db2.gz DHARELDMBDKWCK-QMMMGPOBSA-N 1 2 273.239 1.824 10 5 CDBELO C[C@@H](COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000813113870 729867511 /nfs/dbraw/zinc/86/75/11/729867511.db2.gz VQSOUJQYEVFOEH-GXTWGEPZSA-N 1 2 292.335 1.859 10 5 CDBELO C[C@@H](COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000813113870 729867512 /nfs/dbraw/zinc/86/75/12/729867512.db2.gz VQSOUJQYEVFOEH-GXTWGEPZSA-N 1 2 292.335 1.859 10 5 CDBELO O=C(Cc1c[nH+]c[nH]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001148565873 932742365 /nfs/dbraw/zinc/74/23/65/932742365.db2.gz BKNICRWZHLCJQB-UHFFFAOYSA-N 1 2 272.264 1.403 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC001459874228 969456152 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O=[N+]([O-])c1cnccc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596247940 343273824 /nfs/dbraw/zinc/27/38/24/343273824.db2.gz UANMLUJBVOCBKU-LBPRGKRZSA-N 1 2 292.339 1.291 10 5 CDBELO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943643 343924701 /nfs/dbraw/zinc/92/47/01/343924701.db2.gz URRGPXIRDCTUAS-LLVKDONJSA-N 1 2 286.291 1.075 10 5 CDBELO CCOc1cccc(NC[C@@H]2COCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000599161791 343971855 /nfs/dbraw/zinc/97/18/55/343971855.db2.gz VXYDMJHWDYYVJO-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO CCOc1cccc(NC[C@@H]2COCC[N@H+]2C)c1[N+](=O)[O-] ZINC000599161791 343971858 /nfs/dbraw/zinc/97/18/58/343971858.db2.gz VXYDMJHWDYYVJO-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614530006 348136232 /nfs/dbraw/zinc/13/62/32/348136232.db2.gz VEYIMIPIFDGRHR-VIFPVBQESA-N 1 2 271.342 1.159 10 5 CDBELO C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614530006 348136236 /nfs/dbraw/zinc/13/62/36/348136236.db2.gz VEYIMIPIFDGRHR-VIFPVBQESA-N 1 2 271.342 1.159 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000108945456 186236972 /nfs/dbraw/zinc/23/69/72/186236972.db2.gz CPAUUFNSBHDHPH-SECBINFHSA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000108945456 186236973 /nfs/dbraw/zinc/23/69/73/186236973.db2.gz CPAUUFNSBHDHPH-SECBINFHSA-N 1 2 269.276 1.476 10 5 CDBELO CC[C@H]([NH2+][C@H](C)c1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000189855583 358042265 /nfs/dbraw/zinc/04/22/65/358042265.db2.gz XEZNCUAPILRUKK-SKDRFNHKSA-N 1 2 290.327 1.920 10 5 CDBELO Cc1sc(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000337592907 358091318 /nfs/dbraw/zinc/09/13/18/358091318.db2.gz NUPQWRFTJYPMMD-UHFFFAOYSA-N 1 2 269.326 1.400 10 5 CDBELO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436667856 359075890 /nfs/dbraw/zinc/07/58/90/359075890.db2.gz ZTUJYGWCVCVZLE-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000338925526 359237344 /nfs/dbraw/zinc/23/73/44/359237344.db2.gz AUAOZFCBBXELMU-VIFPVBQESA-N 1 2 280.280 1.295 10 5 CDBELO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000338925526 359237347 /nfs/dbraw/zinc/23/73/47/359237347.db2.gz AUAOZFCBBXELMU-VIFPVBQESA-N 1 2 280.280 1.295 10 5 CDBELO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275350906 193006990 /nfs/dbraw/zinc/00/69/90/193006990.db2.gz ZTBVMHJFTSJIKD-HZMBPMFUSA-N 1 2 278.308 1.539 10 5 CDBELO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275350906 193006993 /nfs/dbraw/zinc/00/69/93/193006993.db2.gz ZTBVMHJFTSJIKD-HZMBPMFUSA-N 1 2 278.308 1.539 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000268674923 365354250 /nfs/dbraw/zinc/35/42/50/365354250.db2.gz KZJFIDXCDSWXAA-LLVKDONJSA-N 1 2 277.324 1.647 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000268674923 365354255 /nfs/dbraw/zinc/35/42/55/365354255.db2.gz KZJFIDXCDSWXAA-LLVKDONJSA-N 1 2 277.324 1.647 10 5 CDBELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351985484 367133761 /nfs/dbraw/zinc/13/37/61/367133761.db2.gz XUGPIZBUDVPQBV-LBPRGKRZSA-N 1 2 293.323 1.314 10 5 CDBELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351985484 367133766 /nfs/dbraw/zinc/13/37/66/367133766.db2.gz XUGPIZBUDVPQBV-LBPRGKRZSA-N 1 2 293.323 1.314 10 5 CDBELO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000331177640 374901474 /nfs/dbraw/zinc/90/14/74/374901474.db2.gz QGGLEYCLNUVPNE-KOLCDFICSA-N 1 2 286.353 1.628 10 5 CDBELO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000331177640 374901491 /nfs/dbraw/zinc/90/14/91/374901491.db2.gz QGGLEYCLNUVPNE-KOLCDFICSA-N 1 2 286.353 1.628 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282335794 375079243 /nfs/dbraw/zinc/07/92/43/375079243.db2.gz VAXWNGBSKSPIBS-GWCFXTLKSA-N 1 2 298.364 1.775 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282335794 375079248 /nfs/dbraw/zinc/07/92/48/375079248.db2.gz VAXWNGBSKSPIBS-GWCFXTLKSA-N 1 2 298.364 1.775 10 5 CDBELO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)n1 ZINC000357905151 375939402 /nfs/dbraw/zinc/93/94/02/375939402.db2.gz DFGWXZXIGDZQMP-UHFFFAOYSA-N 1 2 286.251 1.228 10 5 CDBELO COc1cc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352536088 155256757 /nfs/dbraw/zinc/25/67/57/155256757.db2.gz ZEAXJOCEUAGOSC-CMPLNLGQSA-N 1 2 296.323 1.185 10 5 CDBELO COc1cc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352536088 155256758 /nfs/dbraw/zinc/25/67/58/155256758.db2.gz ZEAXJOCEUAGOSC-CMPLNLGQSA-N 1 2 296.323 1.185 10 5 CDBELO COC(=O)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000358809753 158036375 /nfs/dbraw/zinc/03/63/75/158036375.db2.gz FQXVXUPOKVAPIU-CYBMUJFWSA-N 1 2 278.308 1.679 10 5 CDBELO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F)N(C)C ZINC000038087504 174099890 /nfs/dbraw/zinc/09/98/90/174099890.db2.gz ZQGFJEJFQVUQOE-MRVPVSSYSA-N 1 2 273.283 1.913 10 5 CDBELO CN1CCC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000554546052 290173511 /nfs/dbraw/zinc/17/35/11/290173511.db2.gz MNKLFGYJVYXSPD-CQSZACIVSA-N 1 2 289.335 1.574 10 5 CDBELO CN1CCC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000554546052 290173514 /nfs/dbraw/zinc/17/35/14/290173514.db2.gz MNKLFGYJVYXSPD-CQSZACIVSA-N 1 2 289.335 1.574 10 5 CDBELO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000575866506 317028808 /nfs/dbraw/zinc/02/88/08/317028808.db2.gz VSJBSDNMXPFUAF-UWVGGRQHSA-N 1 2 279.296 1.627 10 5 CDBELO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000575866505 317028839 /nfs/dbraw/zinc/02/88/39/317028839.db2.gz VSJBSDNMXPFUAF-NXEZZACHSA-N 1 2 279.296 1.627 10 5 CDBELO COc1cc(F)c([N+](=O)[O-])c(-n2c[nH+]c(CCCO)c2)c1 ZINC000771200701 575556682 /nfs/dbraw/zinc/55/66/82/575556682.db2.gz RZJHUTLTNPIHJY-UHFFFAOYSA-N 1 2 295.270 1.853 10 5 CDBELO Cc1n[nH]c(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1[N+](=O)[O-] ZINC001639428232 1166936278 /nfs/dbraw/zinc/93/62/78/1166936278.db2.gz YIVMIEASZNYUQC-UHFFFAOYSA-N 1 2 292.299 1.403 10 5 CDBELO Cc1[nH+]c[nH]c1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001587348476 1172983640 /nfs/dbraw/zinc/98/36/40/1172983640.db2.gz PAPAYIKGGMHSPW-UHFFFAOYSA-N 1 2 292.270 1.624 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928149 730631317 /nfs/dbraw/zinc/63/13/17/730631317.db2.gz RICCSHXPBDPODD-VIFPVBQESA-N 1 2 271.296 1.174 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928149 730631323 /nfs/dbraw/zinc/63/13/23/730631323.db2.gz RICCSHXPBDPODD-VIFPVBQESA-N 1 2 271.296 1.174 10 5 CDBELO [NH3+][C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000724739342 731094565 /nfs/dbraw/zinc/09/45/65/731094565.db2.gz MKCVQJJVZHKKEV-QMMMGPOBSA-N 1 2 259.212 1.516 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]([NH3+])C(F)F ZINC000724727025 731178224 /nfs/dbraw/zinc/17/82/24/731178224.db2.gz IEBFLSHMFWCGIU-QMMMGPOBSA-N 1 2 273.239 1.824 10 5 CDBELO Cc1nn(C[N@@H+]2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000797416022 731463361 /nfs/dbraw/zinc/46/33/61/731463361.db2.gz FLHNVRARKQOYPN-SECBINFHSA-N 1 2 250.302 1.955 10 5 CDBELO Cc1nn(C[N@H+]2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000797416022 731463363 /nfs/dbraw/zinc/46/33/63/731463363.db2.gz FLHNVRARKQOYPN-SECBINFHSA-N 1 2 250.302 1.955 10 5 CDBELO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000931617279 731830115 /nfs/dbraw/zinc/83/01/15/731830115.db2.gz ZEJKCXUCZBPINW-SFYZADRCSA-N 1 2 256.224 1.305 10 5 CDBELO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000931617279 731830117 /nfs/dbraw/zinc/83/01/17/731830117.db2.gz ZEJKCXUCZBPINW-SFYZADRCSA-N 1 2 256.224 1.305 10 5 CDBELO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000724726476 897317309 /nfs/dbraw/zinc/31/73/09/897317309.db2.gz DHARELDMBDKWCK-MRVPVSSYSA-N 1 2 273.239 1.824 10 5 CDBELO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(C)(C)C1 ZINC001178709970 915605937 /nfs/dbraw/zinc/60/59/37/915605937.db2.gz SWZPGCWCDDYROW-LBPRGKRZSA-N 1 2 293.323 1.370 10 5 CDBELO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(C)(C)C1 ZINC001178709970 915605941 /nfs/dbraw/zinc/60/59/41/915605941.db2.gz SWZPGCWCDDYROW-LBPRGKRZSA-N 1 2 293.323 1.370 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)C1(O)CCCC1)C2 ZINC001119680603 937746631 /nfs/dbraw/zinc/74/66/31/937746631.db2.gz MSBPODVKWYYWGO-CQSZACIVSA-N 1 2 292.335 1.576 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)C1(O)CCCC1)C2 ZINC001119680603 937746632 /nfs/dbraw/zinc/74/66/32/937746632.db2.gz MSBPODVKWYYWGO-CQSZACIVSA-N 1 2 292.335 1.576 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001447281017 966741058 /nfs/dbraw/zinc/74/10/58/966741058.db2.gz CBOSETNGWIWHPM-UHFFFAOYSA-N 1 2 286.251 1.375 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590379505 342541247 /nfs/dbraw/zinc/54/12/47/342541247.db2.gz VCLWUKKEWZYALM-UHFFFAOYSA-N 1 2 286.291 1.825 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590379505 342541248 /nfs/dbraw/zinc/54/12/48/342541248.db2.gz VCLWUKKEWZYALM-UHFFFAOYSA-N 1 2 286.291 1.825 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595769267 343146437 /nfs/dbraw/zinc/14/64/37/343146437.db2.gz UXRBZCNYRGTSED-TVQRCGJNSA-N 1 2 266.272 1.691 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595769267 343146438 /nfs/dbraw/zinc/14/64/38/343146438.db2.gz UXRBZCNYRGTSED-TVQRCGJNSA-N 1 2 266.272 1.691 10 5 CDBELO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000093143293 342424068 /nfs/dbraw/zinc/42/40/68/342424068.db2.gz PLGZTRSCBUXVOD-JTQLQIEISA-N 1 2 268.313 1.892 10 5 CDBELO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000093143293 342424069 /nfs/dbraw/zinc/42/40/69/342424069.db2.gz PLGZTRSCBUXVOD-JTQLQIEISA-N 1 2 268.313 1.892 10 5 CDBELO Cc1noc(C[N@@H+]2CCO[C@H](C(F)F)CC2)c1[N+](=O)[O-] ZINC000601977200 344305779 /nfs/dbraw/zinc/30/57/79/344305779.db2.gz SBPRLGOLRLBDCI-QMMMGPOBSA-N 1 2 291.254 1.747 10 5 CDBELO Cc1noc(C[N@H+]2CCO[C@H](C(F)F)CC2)c1[N+](=O)[O-] ZINC000601977200 344305780 /nfs/dbraw/zinc/30/57/80/344305780.db2.gz SBPRLGOLRLBDCI-QMMMGPOBSA-N 1 2 291.254 1.747 10 5 CDBELO COC[C@](C)(CCO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339017545 293251672 /nfs/dbraw/zinc/25/16/72/293251672.db2.gz PGRQUHMLDXKLSO-ZDUSSCGKSA-N 1 2 284.312 1.178 10 5 CDBELO O=C(Cn1cc[nH+]c1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073032744 345404427 /nfs/dbraw/zinc/40/44/27/345404427.db2.gz IXJZXEXMNXKPHS-UHFFFAOYSA-N 1 2 274.280 1.150 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cc[nH]n1)CC2 ZINC000450690836 358981596 /nfs/dbraw/zinc/98/15/96/358981596.db2.gz HPSVCCUPLSZFJT-UHFFFAOYSA-N 1 2 259.269 1.271 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cc[nH]n1)CC2 ZINC000450690836 358981600 /nfs/dbraw/zinc/98/16/00/358981600.db2.gz HPSVCCUPLSZFJT-UHFFFAOYSA-N 1 2 259.269 1.271 10 5 CDBELO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330459029 367791318 /nfs/dbraw/zinc/79/13/18/367791318.db2.gz STAXZTDMJXPKBT-ZANVPECISA-N 1 2 266.297 1.503 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330459029 367791328 /nfs/dbraw/zinc/79/13/28/367791328.db2.gz STAXZTDMJXPKBT-ZANVPECISA-N 1 2 266.297 1.503 10 5 CDBELO COc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1[N+](=O)[O-] ZINC000352778175 375538841 /nfs/dbraw/zinc/53/88/41/375538841.db2.gz JDPVDTDAQKLFMY-UHFFFAOYSA-N 1 2 288.307 1.885 10 5 CDBELO COc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1[N+](=O)[O-] ZINC000352778175 375538845 /nfs/dbraw/zinc/53/88/45/375538845.db2.gz JDPVDTDAQKLFMY-UHFFFAOYSA-N 1 2 288.307 1.885 10 5 CDBELO C[N@H+]1CC=C(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000354536467 375721659 /nfs/dbraw/zinc/72/16/59/375721659.db2.gz IWMUCPXLNLROEM-UHFFFAOYSA-N 1 2 291.307 1.292 10 5 CDBELO C[N@@H+]1CC=C(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000354536467 375721669 /nfs/dbraw/zinc/72/16/69/375721669.db2.gz IWMUCPXLNLROEM-UHFFFAOYSA-N 1 2 291.307 1.292 10 5 CDBELO CC(C)[C@@H]([NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232685608 375977853 /nfs/dbraw/zinc/97/78/53/375977853.db2.gz SPHUOHKVWUOSEE-VIFPVBQESA-N 1 2 267.285 1.612 10 5 CDBELO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1c[nH+]cn1C ZINC000357589861 375920067 /nfs/dbraw/zinc/92/00/67/375920067.db2.gz BEUIUOKZFWWIHD-UHFFFAOYSA-N 1 2 289.295 1.300 10 5 CDBELO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H](O)C3(CC3)C2)c(F)c1 ZINC000351825417 154744577 /nfs/dbraw/zinc/74/45/77/154744577.db2.gz YJGOSSDLGPIAJK-GFCCVEGCSA-N 1 2 284.262 1.830 10 5 CDBELO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(F)c1 ZINC000351825417 154744580 /nfs/dbraw/zinc/74/45/80/154744580.db2.gz YJGOSSDLGPIAJK-GFCCVEGCSA-N 1 2 284.262 1.830 10 5 CDBELO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CSC[NH2+]1 ZINC000035679052 172349942 /nfs/dbraw/zinc/34/99/42/172349942.db2.gz GAQZETFULXDPPW-SECBINFHSA-N 1 2 271.273 1.335 10 5 CDBELO CCNc1nc[nH+]c(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040596495 174348771 /nfs/dbraw/zinc/34/87/71/174348771.db2.gz ACNAQLFSZZSHMI-UHFFFAOYSA-N 1 2 254.294 1.532 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([N+](=O)[O-])C2)cc1 ZINC000071260722 176096242 /nfs/dbraw/zinc/09/62/42/176096242.db2.gz FGYNZSNZHVWHDL-NSHDSACASA-N 1 2 251.242 1.446 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([N+](=O)[O-])C2)cc1 ZINC000071260722 176096243 /nfs/dbraw/zinc/09/62/43/176096243.db2.gz FGYNZSNZHVWHDL-NSHDSACASA-N 1 2 251.242 1.446 10 5 CDBELO Cc1sc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000408114362 294070429 /nfs/dbraw/zinc/07/04/29/294070429.db2.gz XQDUCDWLGOWWST-MRVPVSSYSA-N 1 2 283.353 1.741 10 5 CDBELO Cc1sc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000408114362 294070433 /nfs/dbraw/zinc/07/04/33/294070433.db2.gz XQDUCDWLGOWWST-MRVPVSSYSA-N 1 2 283.353 1.741 10 5 CDBELO CCOC(=O)[C@@](C)([NH3+])COc1cccc(C)c1[N+](=O)[O-] ZINC000045464055 521152007 /nfs/dbraw/zinc/15/20/07/521152007.db2.gz GIHPIQGFVHKVHQ-ZDUSSCGKSA-N 1 2 282.296 1.563 10 5 CDBELO CCNC(=O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816407 521736073 /nfs/dbraw/zinc/73/60/73/521736073.db2.gz AXNKAUMIRMLXGF-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO CCNC(=O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816407 521736074 /nfs/dbraw/zinc/73/60/74/521736074.db2.gz AXNKAUMIRMLXGF-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)C(C)C ZINC000050816107 520328732 /nfs/dbraw/zinc/32/87/32/520328732.db2.gz HKYJJFGISXLCME-UHFFFAOYSA-N 1 2 294.355 1.722 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)C(C)C ZINC000050816107 520328739 /nfs/dbraw/zinc/32/87/39/520328739.db2.gz HKYJJFGISXLCME-UHFFFAOYSA-N 1 2 294.355 1.722 10 5 CDBELO C[N@@H+](Cc1cc[nH]n1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750065881 576974280 /nfs/dbraw/zinc/97/42/80/576974280.db2.gz FBHLZBNTFFMXFM-ZDUSSCGKSA-N 1 2 276.296 1.483 10 5 CDBELO C[N@H+](Cc1cc[nH]n1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750065881 576974281 /nfs/dbraw/zinc/97/42/81/576974281.db2.gz FBHLZBNTFFMXFM-ZDUSSCGKSA-N 1 2 276.296 1.483 10 5 CDBELO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc(C)[nH+]1 ZINC001129857616 1162500279 /nfs/dbraw/zinc/50/02/79/1162500279.db2.gz BJRRKKCJGTZOAY-UHFFFAOYSA-N 1 2 286.291 1.932 10 5 CDBELO O=[N+]([O-])c1ccccc1-c1nnn(CCCn2cc[nH+]c2)n1 ZINC001641458319 1167109894 /nfs/dbraw/zinc/10/98/94/1167109894.db2.gz CWPZGEDXFMNZMZ-UHFFFAOYSA-N 1 2 299.294 1.535 10 5 CDBELO Nc1[nH+]cccc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC001642702884 1167191626 /nfs/dbraw/zinc/19/16/26/1167191626.db2.gz VTRHYTLROVQXPJ-UHFFFAOYSA-N 1 2 279.687 1.654 10 5 CDBELO Cn1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001655068462 1171663801 /nfs/dbraw/zinc/66/38/01/1171663801.db2.gz CUDHMGUWFLQCRD-AWEZNQCLSA-N 1 2 290.323 1.494 10 5 CDBELO Cn1ccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001655068462 1171663804 /nfs/dbraw/zinc/66/38/04/1171663804.db2.gz CUDHMGUWFLQCRD-AWEZNQCLSA-N 1 2 290.323 1.494 10 5 CDBELO Cn1c[nH+]c(CCNc2nc3ccccn3c2[N+](=O)[O-])c1 ZINC001655547553 1171703005 /nfs/dbraw/zinc/70/30/05/1171703005.db2.gz PVFBKXPOYWPXGZ-UHFFFAOYSA-N 1 2 286.295 1.631 10 5 CDBELO Cc1c(NC(=O)C[C@H]([NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000724726803 735370704 /nfs/dbraw/zinc/37/07/04/735370704.db2.gz GHSZBGRLHKOZMY-ZETCQYMHSA-N 1 2 273.239 1.824 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cn1 ZINC000857981640 735926161 /nfs/dbraw/zinc/92/61/61/735926161.db2.gz AGSQWJPDCAUKNQ-SECBINFHSA-N 1 2 273.252 1.061 10 5 CDBELO C[N@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OC(F)(F)O2 ZINC000930890960 734341177 /nfs/dbraw/zinc/34/11/77/734341177.db2.gz XWWLLAJQSZDVGF-UHFFFAOYSA-N 1 2 274.223 1.717 10 5 CDBELO C[N@@H+](CC[N+](=O)[O-])Cc1ccc2c(c1)OC(F)(F)O2 ZINC000930890960 734341182 /nfs/dbraw/zinc/34/11/82/734341182.db2.gz XWWLLAJQSZDVGF-UHFFFAOYSA-N 1 2 274.223 1.717 10 5 CDBELO CCn1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000838917512 735594476 /nfs/dbraw/zinc/59/44/76/735594476.db2.gz ORXYFNQFNNQUME-UHFFFAOYSA-N 1 2 261.285 1.496 10 5 CDBELO CCc1[nH]c(CNC(=O)c2csc([N+](=O)[O-])c2)c[nH+]1 ZINC001178662774 915549923 /nfs/dbraw/zinc/54/99/23/915549923.db2.gz ZRRIHTSMZHKUFJ-UHFFFAOYSA-N 1 2 280.309 1.872 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2csc([N+](=O)[O-])c2)[nH+]1 ZINC001178662774 915549932 /nfs/dbraw/zinc/54/99/32/915549932.db2.gz ZRRIHTSMZHKUFJ-UHFFFAOYSA-N 1 2 280.309 1.872 10 5 CDBELO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001193485880 923726290 /nfs/dbraw/zinc/72/62/90/923726290.db2.gz VVQKWYOTXISVOY-DLOVCJGASA-N 1 2 290.323 1.076 10 5 CDBELO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001193485880 923726309 /nfs/dbraw/zinc/72/63/09/923726309.db2.gz VVQKWYOTXISVOY-DLOVCJGASA-N 1 2 290.323 1.076 10 5 CDBELO CC(C)c1[nH]cc(CNc2ccncc2[N+](=O)[O-])[nH+]1 ZINC001559288908 965428631 /nfs/dbraw/zinc/42/86/31/965428631.db2.gz YKMSESBEMLKUAD-UHFFFAOYSA-N 1 2 261.285 1.870 10 5 CDBELO CC(C)c1[nH]c(CNc2ccncc2[N+](=O)[O-])c[nH+]1 ZINC001559288908 965428633 /nfs/dbraw/zinc/42/86/33/965428633.db2.gz YKMSESBEMLKUAD-UHFFFAOYSA-N 1 2 261.285 1.870 10 5 CDBELO Cc1nc(NCc2ccc[nH+]c2N)ccc1[N+](=O)[O-] ZINC001472786946 968810312 /nfs/dbraw/zinc/81/03/12/968810312.db2.gz STFQZOUIBBMNMI-UHFFFAOYSA-N 1 2 259.269 1.888 10 5 CDBELO CC(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001472115526 970577485 /nfs/dbraw/zinc/57/74/85/970577485.db2.gz MASXUMBWQINUBQ-UHFFFAOYSA-N 1 2 295.364 1.711 10 5 CDBELO CC(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001472115526 970577493 /nfs/dbraw/zinc/57/74/93/970577493.db2.gz MASXUMBWQINUBQ-UHFFFAOYSA-N 1 2 295.364 1.711 10 5 CDBELO Cc1cc(N[C@@H](CO)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000601177634 342487174 /nfs/dbraw/zinc/48/71/74/342487174.db2.gz YIXWNWDUPQXJOC-CYBMUJFWSA-N 1 2 295.339 1.008 10 5 CDBELO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258156 342683467 /nfs/dbraw/zinc/68/34/67/342683467.db2.gz NYYSWBSIQTZCFJ-SECBINFHSA-N 1 2 297.336 1.334 10 5 CDBELO CC(C)Oc1cc[nH+]c(Cn2cnc([N+](=O)[O-])n2)c1 ZINC000593424323 342795292 /nfs/dbraw/zinc/79/52/92/342795292.db2.gz ZKXLLFIDDDTNCN-UHFFFAOYSA-N 1 2 263.257 1.417 10 5 CDBELO Cc1noc(C[NH2+][C@H](C)c2cn[nH]c2)c1[N+](=O)[O-] ZINC000595433192 343059424 /nfs/dbraw/zinc/05/94/24/343059424.db2.gz PKURRFAGWZUAMR-ZCFIWIBFSA-N 1 2 251.246 1.465 10 5 CDBELO C[C@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000610576155 346316582 /nfs/dbraw/zinc/31/65/82/346316582.db2.gz VYOXVDJYFWQSPI-SMDDNHRTSA-N 1 2 292.339 1.147 10 5 CDBELO Cn1cc[nH+]c1CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297356088 200160468 /nfs/dbraw/zinc/16/04/68/200160468.db2.gz HAGDAXFOZZGRLC-UHFFFAOYSA-N 1 2 288.307 1.592 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(CCc2c[nH+]cn2C)c1=O ZINC000287483811 239152618 /nfs/dbraw/zinc/15/26/18/239152618.db2.gz JAHSYJXOOLFPTI-UHFFFAOYSA-N 1 2 262.269 1.041 10 5 CDBELO CCNC(=O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459613694 392493390 /nfs/dbraw/zinc/49/33/90/392493390.db2.gz VUEGERUZOBVYAV-UHFFFAOYSA-N 1 2 297.742 1.816 10 5 CDBELO NC(=O)c1coc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000494431617 393231992 /nfs/dbraw/zinc/23/19/92/393231992.db2.gz FGGUVMWCVTYHER-UHFFFAOYSA-N 1 2 293.254 1.716 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195323450 140153507 /nfs/dbraw/zinc/15/35/07/140153507.db2.gz WDWAKQCKVYKZLL-LLVKDONJSA-N 1 2 291.307 1.221 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195323450 140153508 /nfs/dbraw/zinc/15/35/08/140153508.db2.gz WDWAKQCKVYKZLL-LLVKDONJSA-N 1 2 291.307 1.221 10 5 CDBELO COC1CC[NH+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000037337299 173138518 /nfs/dbraw/zinc/13/85/18/173138518.db2.gz FPGOQBZPMGFNPO-UHFFFAOYSA-N 1 2 267.285 1.216 10 5 CDBELO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000070987878 176018779 /nfs/dbraw/zinc/01/87/79/176018779.db2.gz PLQGMIIKDSZAHA-UHFFFAOYSA-N 1 2 278.243 1.729 10 5 CDBELO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153359478 289166635 /nfs/dbraw/zinc/16/66/35/289166635.db2.gz PXPGXGYCTJGMBX-SNVBAGLBSA-N 1 2 277.324 1.430 10 5 CDBELO C[C@H](C(=O)N(C)C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153359478 289166636 /nfs/dbraw/zinc/16/66/36/289166636.db2.gz PXPGXGYCTJGMBX-SNVBAGLBSA-N 1 2 277.324 1.430 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(N2CC(n3cc[nH+]c3)C2)n1 ZINC000542864480 289571573 /nfs/dbraw/zinc/57/15/73/289571573.db2.gz ZZBJOTVIBZKXOM-UHFFFAOYSA-N 1 2 273.296 1.864 10 5 CDBELO COc1cccc([N+](=O)[O-])c1N(C)Cc1[nH]cc[nH+]1 ZINC000580581078 324507052 /nfs/dbraw/zinc/50/70/52/324507052.db2.gz IDJFMSLOERLSJM-UHFFFAOYSA-N 1 2 262.269 1.963 10 5 CDBELO CCNc1cc(Cn2cc([N+](=O)[O-])ccc2=O)cc[nH+]1 ZINC000052732866 520272346 /nfs/dbraw/zinc/27/23/46/520272346.db2.gz FVNKWXBGSDMSJN-UHFFFAOYSA-N 1 2 274.280 1.632 10 5 CDBELO CNc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050816189 522609330 /nfs/dbraw/zinc/60/93/30/522609330.db2.gz IENQOSFNCKIUAC-GFCCVEGCSA-N 1 2 292.339 1.476 10 5 CDBELO CNc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050816189 522609337 /nfs/dbraw/zinc/60/93/37/522609337.db2.gz IENQOSFNCKIUAC-GFCCVEGCSA-N 1 2 292.339 1.476 10 5 CDBELO COC(=O)[C@@H](CCOc1cccc([N+](=O)[O-])c1)[NH2+]C(C)C ZINC000062539315 523574403 /nfs/dbraw/zinc/57/44/03/523574403.db2.gz NVSLZHUMJRYZAJ-CYBMUJFWSA-N 1 2 296.323 1.903 10 5 CDBELO COC(=O)[C@H](CCOc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC1 ZINC000062541028 523900224 /nfs/dbraw/zinc/90/02/24/523900224.db2.gz VWTLULDVMDOLMV-ZDUSSCGKSA-N 1 2 294.307 1.657 10 5 CDBELO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000299908770 524287034 /nfs/dbraw/zinc/28/70/34/524287034.db2.gz VMPRZSWUXCOXPI-GXFFZTMASA-N 1 2 293.323 1.236 10 5 CDBELO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000299908770 524287045 /nfs/dbraw/zinc/28/70/45/524287045.db2.gz VMPRZSWUXCOXPI-GXFFZTMASA-N 1 2 293.323 1.236 10 5 CDBELO CC(C)(CNC(=O)c1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000898893564 621939047 /nfs/dbraw/zinc/93/90/47/621939047.db2.gz MLAJWCWICPRVHW-UHFFFAOYSA-N 1 2 288.307 1.956 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001570015059 1170059957 /nfs/dbraw/zinc/05/99/57/1170059957.db2.gz VFXUQHZHHLCSCK-UHFFFAOYSA-N 1 2 290.279 1.898 10 5 CDBELO O=C(NCCc1[nH]cc[nH+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000141119084 1177638334 /nfs/dbraw/zinc/63/83/34/1177638334.db2.gz MOILOFLEMWPZOB-UHFFFAOYSA-N 1 2 294.698 1.944 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001607512164 1164214056 /nfs/dbraw/zinc/21/40/56/1164214056.db2.gz NPZXMDLIOMIGHB-LBPRGKRZSA-N 1 2 263.297 1.936 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001607512164 1164214061 /nfs/dbraw/zinc/21/40/61/1164214061.db2.gz NPZXMDLIOMIGHB-LBPRGKRZSA-N 1 2 263.297 1.936 10 5 CDBELO [NH3+][C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000724739340 736454032 /nfs/dbraw/zinc/45/40/32/736454032.db2.gz MKCVQJJVZHKKEV-MRVPVSSYSA-N 1 2 259.212 1.516 10 5 CDBELO C[C@@H](COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000813113872 737190185 /nfs/dbraw/zinc/19/01/85/737190185.db2.gz VQSOUJQYEVFOEH-JSGCOSHPSA-N 1 2 292.335 1.859 10 5 CDBELO C[C@@H](COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000813113872 737190190 /nfs/dbraw/zinc/19/01/90/737190190.db2.gz VQSOUJQYEVFOEH-JSGCOSHPSA-N 1 2 292.335 1.859 10 5 CDBELO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1nnc2ccccn21 ZINC000930236645 737554817 /nfs/dbraw/zinc/55/48/17/737554817.db2.gz NXGAXYUMGHIDNM-NSHDSACASA-N 1 2 263.301 1.293 10 5 CDBELO CC(C)COC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000124300502 737738541 /nfs/dbraw/zinc/73/85/41/737738541.db2.gz ZXCRYENDQFGZTQ-UHFFFAOYSA-N 1 2 282.344 1.886 10 5 CDBELO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019557 738527882 /nfs/dbraw/zinc/52/78/82/738527882.db2.gz ZVJJXPIQZQPRFP-DTWKUNHWSA-N 1 2 283.303 1.909 10 5 CDBELO CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000812295951 737255370 /nfs/dbraw/zinc/25/53/70/737255370.db2.gz ISLTVIVICCODKY-NSHDSACASA-N 1 2 268.317 1.476 10 5 CDBELO CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000812295951 737255374 /nfs/dbraw/zinc/25/53/74/737255374.db2.gz ISLTVIVICCODKY-NSHDSACASA-N 1 2 268.317 1.476 10 5 CDBELO CCn1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000858207531 738118418 /nfs/dbraw/zinc/11/84/18/738118418.db2.gz YOCDEJAFMLTHRF-UHFFFAOYSA-N 1 2 275.312 1.804 10 5 CDBELO Cc1nn(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001328026587 955166027 /nfs/dbraw/zinc/16/60/27/955166027.db2.gz MRFBJXRTGXYBOL-ZJUUUORDSA-N 1 2 268.317 1.557 10 5 CDBELO Cc1nn(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001328026587 955166034 /nfs/dbraw/zinc/16/60/34/955166034.db2.gz MRFBJXRTGXYBOL-ZJUUUORDSA-N 1 2 268.317 1.557 10 5 CDBELO CC[C@@H](C[N+](=O)[O-])OC(=O)C[N@H+](C)Cc1ccccc1 ZINC001347431335 965524554 /nfs/dbraw/zinc/52/45/54/965524554.db2.gz XZABPZGQJDXYIR-ZDUSSCGKSA-N 1 2 280.324 1.717 10 5 CDBELO CC[C@@H](C[N+](=O)[O-])OC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001347431335 965524568 /nfs/dbraw/zinc/52/45/68/965524568.db2.gz XZABPZGQJDXYIR-ZDUSSCGKSA-N 1 2 280.324 1.717 10 5 CDBELO Cc1noc(C[N@H+]2C[C@@H](C)OCC[C@H]2C)c1[N+](=O)[O-] ZINC001460958023 969574525 /nfs/dbraw/zinc/57/45/25/969574525.db2.gz BVKJOLIGBYBNJB-RKDXNWHRSA-N 1 2 269.301 1.891 10 5 CDBELO Cc1noc(C[N@@H+]2C[C@@H](C)OCC[C@H]2C)c1[N+](=O)[O-] ZINC001460958023 969574530 /nfs/dbraw/zinc/57/45/30/969574530.db2.gz BVKJOLIGBYBNJB-RKDXNWHRSA-N 1 2 269.301 1.891 10 5 CDBELO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000300442424 342538818 /nfs/dbraw/zinc/53/88/18/342538818.db2.gz VAIHAUJOPVECPT-WPRPVWTQSA-N 1 2 279.296 1.614 10 5 CDBELO Cc1ccnc(NC2CC([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000594873593 342972888 /nfs/dbraw/zinc/97/28/88/342972888.db2.gz AESPVIDWQWDUPH-UHFFFAOYSA-N 1 2 292.339 1.573 10 5 CDBELO [NH3+]C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC2(CCC2)C1 ZINC000595950503 343194173 /nfs/dbraw/zinc/19/41/73/343194173.db2.gz FVCRCINCMWRKFC-UHFFFAOYSA-N 1 2 291.307 1.901 10 5 CDBELO NC(=O)CC1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599069968 343948748 /nfs/dbraw/zinc/94/87/48/343948748.db2.gz DTIXXJXHELFVIJ-UHFFFAOYSA-N 1 2 286.291 1.455 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599082403 343957821 /nfs/dbraw/zinc/95/78/21/343957821.db2.gz BNEDIGMNTSXQPA-MNOVXSKESA-N 1 2 293.323 1.232 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599082403 343957824 /nfs/dbraw/zinc/95/78/24/343957824.db2.gz BNEDIGMNTSXQPA-MNOVXSKESA-N 1 2 293.323 1.232 10 5 CDBELO Cc1sc(C(=O)NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000275230580 365969727 /nfs/dbraw/zinc/96/97/27/365969727.db2.gz MNEYFWVLBIUCOX-UHFFFAOYSA-N 1 2 283.353 1.787 10 5 CDBELO CCc1nn(C)c(N2CCn3cc(C)[nH+]c3C2)c1[N+](=O)[O-] ZINC000359900364 356437637 /nfs/dbraw/zinc/43/76/37/356437637.db2.gz PFDFMWGVMRJOPG-UHFFFAOYSA-N 1 2 290.327 1.416 10 5 CDBELO C[N@H+](CCOCCO)Cc1csc([N+](=O)[O-])c1 ZINC000337448049 358046110 /nfs/dbraw/zinc/04/61/10/358046110.db2.gz MDLUMPAVBQOQKF-UHFFFAOYSA-N 1 2 260.315 1.097 10 5 CDBELO C[N@@H+](CCOCCO)Cc1csc([N+](=O)[O-])c1 ZINC000337448049 358046112 /nfs/dbraw/zinc/04/61/12/358046112.db2.gz MDLUMPAVBQOQKF-UHFFFAOYSA-N 1 2 260.315 1.097 10 5 CDBELO COc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000191123889 373452820 /nfs/dbraw/zinc/45/28/20/373452820.db2.gz DINWZTCDZLTFRQ-UHFFFAOYSA-N 1 2 293.323 1.268 10 5 CDBELO COc1ccc(C[N@H+]2CCCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000191123889 373452835 /nfs/dbraw/zinc/45/28/35/373452835.db2.gz DINWZTCDZLTFRQ-UHFFFAOYSA-N 1 2 293.323 1.268 10 5 CDBELO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275230522 374693360 /nfs/dbraw/zinc/69/33/60/374693360.db2.gz MSMJZQGMMKMTHC-NSHDSACASA-N 1 2 278.308 1.885 10 5 CDBELO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275230522 374693366 /nfs/dbraw/zinc/69/33/66/374693366.db2.gz MSMJZQGMMKMTHC-NSHDSACASA-N 1 2 278.308 1.885 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000331172954 374899038 /nfs/dbraw/zinc/89/90/38/374899038.db2.gz IVZHSVCNHORNGB-SNVBAGLBSA-N 1 2 266.297 1.505 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000331172954 374899042 /nfs/dbraw/zinc/89/90/42/374899042.db2.gz IVZHSVCNHORNGB-SNVBAGLBSA-N 1 2 266.297 1.505 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](OCCO)C2)cs1 ZINC000172292197 377421409 /nfs/dbraw/zinc/42/14/09/377421409.db2.gz IZLSZJJDRVCOOX-NSHDSACASA-N 1 2 286.353 1.630 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](OCCO)C2)cs1 ZINC000172292197 377421411 /nfs/dbraw/zinc/42/14/11/377421411.db2.gz IZLSZJJDRVCOOX-NSHDSACASA-N 1 2 286.353 1.630 10 5 CDBELO Cc1ccc(Cn2cccc([N+](=O)[O-])c2=O)c(C)[nH+]1 ZINC000186601053 140065581 /nfs/dbraw/zinc/06/55/81/140065581.db2.gz GNLQXJNGWGUAOC-UHFFFAOYSA-N 1 2 259.265 1.817 10 5 CDBELO Cn1cc[nH+]c1CNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2 ZINC000071274360 176106116 /nfs/dbraw/zinc/10/61/16/176106116.db2.gz RWSUPKBQMRPHKQ-UHFFFAOYSA-N 1 2 287.279 1.435 10 5 CDBELO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282023531 288214467 /nfs/dbraw/zinc/21/44/67/288214467.db2.gz FDBXXMHARYSZDQ-SNVBAGLBSA-N 1 2 263.297 1.257 10 5 CDBELO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282023531 288214468 /nfs/dbraw/zinc/21/44/68/288214468.db2.gz FDBXXMHARYSZDQ-SNVBAGLBSA-N 1 2 263.297 1.257 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000363677919 281544124 /nfs/dbraw/zinc/54/41/24/281544124.db2.gz ZITJEZDSLCNOEX-UHFFFAOYSA-N 1 2 286.291 1.756 10 5 CDBELO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272413908 289210971 /nfs/dbraw/zinc/21/09/71/289210971.db2.gz PAGICXBKHBSNIM-LLVKDONJSA-N 1 2 293.323 1.467 10 5 CDBELO CN(CCCn1cc[nH+]c1)c1ccncc1[N+](=O)[O-] ZINC000337114152 522804209 /nfs/dbraw/zinc/80/42/09/522804209.db2.gz GEUFEOOVFPVZSR-UHFFFAOYSA-N 1 2 261.285 1.713 10 5 CDBELO Cc1sc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748348004 576907100 /nfs/dbraw/zinc/90/71/00/576907100.db2.gz XIVXGZOBOBHHMN-MRVPVSSYSA-N 1 2 283.353 1.741 10 5 CDBELO Cc1sc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748348004 576907102 /nfs/dbraw/zinc/90/71/02/576907102.db2.gz XIVXGZOBOBHHMN-MRVPVSSYSA-N 1 2 283.353 1.741 10 5 CDBELO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001630565616 1166215060 /nfs/dbraw/zinc/21/50/60/1166215060.db2.gz GLSSASDLJUDCSU-NSHDSACASA-N 1 2 287.279 1.248 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984824 740586505 /nfs/dbraw/zinc/58/65/05/740586505.db2.gz MDSZQOUSEKSALZ-LBPRGKRZSA-N 1 2 286.291 1.975 10 5 CDBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000859905509 741253499 /nfs/dbraw/zinc/25/34/99/741253499.db2.gz KWLRCGCOGAFRIV-KBPBESRZSA-N 1 2 298.314 1.689 10 5 CDBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000859905509 741253503 /nfs/dbraw/zinc/25/35/03/741253503.db2.gz KWLRCGCOGAFRIV-KBPBESRZSA-N 1 2 298.314 1.689 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000164951339 741820534 /nfs/dbraw/zinc/82/05/34/741820534.db2.gz CPEVCXUZNCWTMQ-DGCLKSJQSA-N 1 2 280.328 1.376 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000164951339 741820535 /nfs/dbraw/zinc/82/05/35/741820535.db2.gz CPEVCXUZNCWTMQ-DGCLKSJQSA-N 1 2 280.328 1.376 10 5 CDBELO CO[C@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000795676172 740130380 /nfs/dbraw/zinc/13/03/80/740130380.db2.gz XQRQJKPACKNEON-AOOOYVTPSA-N 1 2 254.290 1.166 10 5 CDBELO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000795676172 740130382 /nfs/dbraw/zinc/13/03/82/740130382.db2.gz XQRQJKPACKNEON-AOOOYVTPSA-N 1 2 254.290 1.166 10 5 CDBELO COC(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852571236 741077031 /nfs/dbraw/zinc/07/70/31/741077031.db2.gz MHOCHMHHVNZSJG-UHFFFAOYSA-N 1 2 299.302 1.864 10 5 CDBELO COC(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852571236 741077034 /nfs/dbraw/zinc/07/70/34/741077034.db2.gz MHOCHMHHVNZSJG-UHFFFAOYSA-N 1 2 299.302 1.864 10 5 CDBELO O=C1NCC2(CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)O1 ZINC000781997736 741624385 /nfs/dbraw/zinc/62/43/85/741624385.db2.gz BAGIJJPYAFEHQS-UHFFFAOYSA-N 1 2 297.336 1.731 10 5 CDBELO Cn1cc([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC001642646062 1167188696 /nfs/dbraw/zinc/18/86/96/1167188696.db2.gz CGRSBQVNZXWLQT-CYBMUJFWSA-N 1 2 294.286 1.291 10 5 CDBELO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])cnc2C)[nH+]c1C ZINC001445479657 966208136 /nfs/dbraw/zinc/20/81/36/966208136.db2.gz VJNDAYVYGVLKPB-UHFFFAOYSA-N 1 2 289.295 1.568 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(Cn2cc[nH+]c2)c1 ZINC001657596301 1171974990 /nfs/dbraw/zinc/97/49/90/1171974990.db2.gz JEVRRHWEWLKWHK-UHFFFAOYSA-N 1 2 261.237 1.626 10 5 CDBELO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])s1 ZINC000587051331 342474018 /nfs/dbraw/zinc/47/40/18/342474018.db2.gz LIZOCVFZEVXFGH-MRVPVSSYSA-N 1 2 292.320 1.598 10 5 CDBELO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447462 342546806 /nfs/dbraw/zinc/54/68/06/342546806.db2.gz XRBKSOCTCWNOPZ-NOZJJQNGSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447462 342546807 /nfs/dbraw/zinc/54/68/07/342546807.db2.gz XRBKSOCTCWNOPZ-NOZJJQNGSA-N 1 2 291.307 1.077 10 5 CDBELO CC1(CO)C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590969959 342612157 /nfs/dbraw/zinc/61/21/57/342612157.db2.gz FUOVJSAZQMFMJA-UHFFFAOYSA-N 1 2 294.307 1.180 10 5 CDBELO CC(C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000592258585 342683476 /nfs/dbraw/zinc/68/34/76/342683476.db2.gz VYOOYQSIKHKYBF-UFBFGSQYSA-N 1 2 281.312 1.858 10 5 CDBELO CCN1OC[C@@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000595476527 343064142 /nfs/dbraw/zinc/06/41/42/343064142.db2.gz NKUIYSOPRPFVOS-CYBMUJFWSA-N 1 2 293.323 1.231 10 5 CDBELO CCN1OC[C@@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000595476527 343064144 /nfs/dbraw/zinc/06/41/44/343064144.db2.gz NKUIYSOPRPFVOS-CYBMUJFWSA-N 1 2 293.323 1.231 10 5 CDBELO CO[C@]1(CO)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595660285 343119536 /nfs/dbraw/zinc/11/95/36/343119536.db2.gz DBRFRSXFOMXTGM-CQSZACIVSA-N 1 2 298.314 1.707 10 5 CDBELO CO[C@]1(CO)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595660285 343119538 /nfs/dbraw/zinc/11/95/38/343119538.db2.gz DBRFRSXFOMXTGM-CQSZACIVSA-N 1 2 298.314 1.707 10 5 CDBELO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126728000 187258863 /nfs/dbraw/zinc/25/88/63/187258863.db2.gz VPMRSFMEQDNIKT-RBHXEPJQSA-N 1 2 276.383 1.855 10 5 CDBELO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126728000 187258865 /nfs/dbraw/zinc/25/88/65/187258865.db2.gz VPMRSFMEQDNIKT-RBHXEPJQSA-N 1 2 276.383 1.855 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NC[C@@H]1COCC[N@@H+]1C ZINC000599161945 343971736 /nfs/dbraw/zinc/97/17/36/343971736.db2.gz YPNNWHFLFBGMCH-SNVBAGLBSA-N 1 2 281.312 1.346 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NC[C@@H]1COCC[N@H+]1C ZINC000599161945 343971739 /nfs/dbraw/zinc/97/17/39/343971739.db2.gz YPNNWHFLFBGMCH-SNVBAGLBSA-N 1 2 281.312 1.346 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[NH+](CCCF)CC2)s1 ZINC000599091521 343952208 /nfs/dbraw/zinc/95/22/08/343952208.db2.gz BCRJLRAQQSEJAX-UHFFFAOYSA-N 1 2 274.321 1.533 10 5 CDBELO [NH3+][C@]1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOC1 ZINC000085850972 179187718 /nfs/dbraw/zinc/18/77/18/179187718.db2.gz VDWIDONAYXKWQB-GFCCVEGCSA-N 1 2 276.252 1.219 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cn(C)nn1 ZINC000612582030 347216414 /nfs/dbraw/zinc/21/64/14/347216414.db2.gz MIWLGRCENFUZNG-UHFFFAOYSA-N 1 2 261.285 1.322 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000105471228 186059814 /nfs/dbraw/zinc/05/98/14/186059814.db2.gz GDRRCPCXPGGKPY-LBPRGKRZSA-N 1 2 299.758 1.668 10 5 CDBELO C[N@H+]1CCO[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000105471228 186059816 /nfs/dbraw/zinc/05/98/16/186059816.db2.gz GDRRCPCXPGGKPY-LBPRGKRZSA-N 1 2 299.758 1.668 10 5 CDBELO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000155740748 188225509 /nfs/dbraw/zinc/22/55/09/188225509.db2.gz RFDOMJIKZJGXIN-RKDXNWHRSA-N 1 2 283.353 1.821 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H](O)C2)c(Cl)c1 ZINC000294675009 199130245 /nfs/dbraw/zinc/13/02/45/199130245.db2.gz BBOUDMGRXHOENM-NSHDSACASA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(Cl)c1 ZINC000294675009 199130247 /nfs/dbraw/zinc/13/02/47/199130247.db2.gz BBOUDMGRXHOENM-NSHDSACASA-N 1 2 286.715 1.441 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268645581 365192305 /nfs/dbraw/zinc/19/23/05/365192305.db2.gz FMDFNEBHWMESID-LLVKDONJSA-N 1 2 277.324 1.647 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268645581 365192308 /nfs/dbraw/zinc/19/23/08/365192308.db2.gz FMDFNEBHWMESID-LLVKDONJSA-N 1 2 277.324 1.647 10 5 CDBELO CC(C)c1ccc(C[N@@H+]2CCOC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449412715 374808090 /nfs/dbraw/zinc/80/80/90/374808090.db2.gz GIVRNFMAWSQYMM-CYBMUJFWSA-N 1 2 294.351 1.911 10 5 CDBELO CC(C)c1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449412715 374808093 /nfs/dbraw/zinc/80/80/93/374808093.db2.gz GIVRNFMAWSQYMM-CYBMUJFWSA-N 1 2 294.351 1.911 10 5 CDBELO C[C@H]1C(=O)NCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000471809582 375056485 /nfs/dbraw/zinc/05/64/85/375056485.db2.gz ILSCGZNJEJRZOG-KMSCOEIWSA-N 1 2 289.335 1.818 10 5 CDBELO C[C@H]1C(=O)NCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000471809582 375056494 /nfs/dbraw/zinc/05/64/94/375056494.db2.gz ILSCGZNJEJRZOG-KMSCOEIWSA-N 1 2 289.335 1.818 10 5 CDBELO CN(C)c1[nH+]cccc1CNc1c([N+](=O)[O-])ncn1C ZINC000048559472 375321982 /nfs/dbraw/zinc/32/19/82/375321982.db2.gz RBFQTZSURZCFQD-UHFFFAOYSA-N 1 2 276.300 1.401 10 5 CDBELO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354465134 375715043 /nfs/dbraw/zinc/71/50/43/375715043.db2.gz SGLRXYDWGPECDL-VHSXEESVSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354465134 375715046 /nfs/dbraw/zinc/71/50/46/375715046.db2.gz SGLRXYDWGPECDL-VHSXEESVSA-N 1 2 293.323 1.465 10 5 CDBELO CC(C)[C@H]([NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232724284 377115756 /nfs/dbraw/zinc/11/57/56/377115756.db2.gz SPHUOHKVWUOSEE-SECBINFHSA-N 1 2 267.285 1.612 10 5 CDBELO C[NH+](C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000507205324 254098319 /nfs/dbraw/zinc/09/83/19/254098319.db2.gz VQRPLFQNIZDZDG-CYBMUJFWSA-N 1 2 293.323 1.370 10 5 CDBELO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330443735 392022309 /nfs/dbraw/zinc/02/23/09/392022309.db2.gz BPFHOXOGNBJCHJ-WDEREUQCSA-N 1 2 279.340 1.825 10 5 CDBELO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330443735 392022315 /nfs/dbraw/zinc/02/23/15/392022315.db2.gz BPFHOXOGNBJCHJ-WDEREUQCSA-N 1 2 279.340 1.825 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(CCO)C1 ZINC000459591924 392487554 /nfs/dbraw/zinc/48/75/54/392487554.db2.gz LWTHDSGGBGANBO-UHFFFAOYSA-N 1 2 280.324 1.808 10 5 CDBELO CCNC(=O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459613771 392491911 /nfs/dbraw/zinc/49/19/11/392491911.db2.gz VZUZZETZWRGJNC-UHFFFAOYSA-N 1 2 281.287 1.302 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000305757509 149155392 /nfs/dbraw/zinc/15/53/92/149155392.db2.gz FIAOYSIXXNPFCN-PSASIEDQSA-N 1 2 256.327 1.859 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000305757509 149155393 /nfs/dbraw/zinc/15/53/93/149155393.db2.gz FIAOYSIXXNPFCN-PSASIEDQSA-N 1 2 256.327 1.859 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000078741906 177380605 /nfs/dbraw/zinc/38/06/05/177380605.db2.gz CHJLRUGORAFXHH-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000078741906 177380607 /nfs/dbraw/zinc/38/06/07/177380607.db2.gz CHJLRUGORAFXHH-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153393529 289167163 /nfs/dbraw/zinc/16/71/63/289167163.db2.gz NBZBWQQREZCKBU-SNVBAGLBSA-N 1 2 289.335 1.620 10 5 CDBELO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153393529 289167167 /nfs/dbraw/zinc/16/71/67/289167167.db2.gz NBZBWQQREZCKBU-SNVBAGLBSA-N 1 2 289.335 1.620 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000339203211 304804330 /nfs/dbraw/zinc/80/43/30/304804330.db2.gz GADZYVMEUGWZIO-ZDUSSCGKSA-N 1 2 280.324 1.941 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000583575209 325203056 /nfs/dbraw/zinc/20/30/56/325203056.db2.gz WBPOQDDOMCGWCF-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000583575209 325203057 /nfs/dbraw/zinc/20/30/57/325203057.db2.gz WBPOQDDOMCGWCF-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO CCOC(=O)[C@H]([NH3+])COc1cc([N+](=O)[O-])ccc1Cl ZINC000069508297 521260740 /nfs/dbraw/zinc/26/07/40/521260740.db2.gz LAYDAFKALOAKJY-SECBINFHSA-N 1 2 288.687 1.517 10 5 CDBELO COC(=O)[C@@H](CCOc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)C ZINC000062541065 523574083 /nfs/dbraw/zinc/57/40/83/523574083.db2.gz MDMVSSHNDYAPPG-CYBMUJFWSA-N 1 2 296.323 1.903 10 5 CDBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccoc3)CC2)cn1 ZINC000768301951 576269847 /nfs/dbraw/zinc/26/98/47/576269847.db2.gz BZTBEXFQTNTCAQ-UHFFFAOYSA-N 1 2 288.307 1.905 10 5 CDBELO Cc1[nH]c(CNc2cc[nH]c(=O)c2[N+](=O)[O-])[nH+]c1C ZINC001643213551 1167236406 /nfs/dbraw/zinc/23/64/06/1167236406.db2.gz FTMVPMQUWIZOTG-UHFFFAOYSA-N 1 2 263.257 1.647 10 5 CDBELO Cc1[nH]c(CNC(=O)c2c(N)cccc2[N+](=O)[O-])[nH+]c1C ZINC001566257633 1168253898 /nfs/dbraw/zinc/25/38/98/1168253898.db2.gz BHCBCVFAWMRZPU-UHFFFAOYSA-N 1 2 289.295 1.447 10 5 CDBELO CC(C)c1[nH]cc(CNC(=O)c2c([N+](=O)[O-])cnn2C)[nH+]1 ZINC001652743524 1171470475 /nfs/dbraw/zinc/47/04/75/1171470475.db2.gz OGJVROJVFZAIGX-UHFFFAOYSA-N 1 2 292.299 1.105 10 5 CDBELO CC(C)c1[nH]c(CNC(=O)c2c([N+](=O)[O-])cnn2C)c[nH+]1 ZINC001652743524 1171470481 /nfs/dbraw/zinc/47/04/81/1171470481.db2.gz OGJVROJVFZAIGX-UHFFFAOYSA-N 1 2 292.299 1.105 10 5 CDBELO CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001654085532 1171590958 /nfs/dbraw/zinc/59/09/58/1171590958.db2.gz IKCJFYDGCMHVCY-LLVKDONJSA-N 1 2 296.302 1.237 10 5 CDBELO CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001654085532 1171590963 /nfs/dbraw/zinc/59/09/63/1171590963.db2.gz IKCJFYDGCMHVCY-LLVKDONJSA-N 1 2 296.302 1.237 10 5 CDBELO CCN1OC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000852096507 743256796 /nfs/dbraw/zinc/25/67/96/743256796.db2.gz LEGUIACKSXNJHP-JOYOIKCWSA-N 1 2 279.296 1.408 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])s1 ZINC000857990019 745109110 /nfs/dbraw/zinc/10/91/10/745109110.db2.gz LPBHIZPQFBJNOG-ZETCQYMHSA-N 1 2 278.293 1.728 10 5 CDBELO Cn1cc([N+](=O)[O-])c(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC001639580504 1166953772 /nfs/dbraw/zinc/95/37/72/1166953772.db2.gz NUPVYDVGCMLDLC-UHFFFAOYSA-N 1 2 276.300 1.435 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC001334603398 959235168 /nfs/dbraw/zinc/23/51/68/959235168.db2.gz MRSNVVUTKDSHRK-AEGPPILISA-N 1 2 290.319 1.714 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC001334603398 959235180 /nfs/dbraw/zinc/23/51/80/959235180.db2.gz MRSNVVUTKDSHRK-AEGPPILISA-N 1 2 290.319 1.714 10 5 CDBELO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCn1cc[nH+]c1 ZINC001441325939 964462200 /nfs/dbraw/zinc/46/22/00/964462200.db2.gz YKOOHOUMWFMYFP-UHFFFAOYSA-N 1 2 292.270 1.669 10 5 CDBELO O=C(Nc1cn[nH]c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001471174447 970401977 /nfs/dbraw/zinc/40/19/77/970401977.db2.gz AWBGHSYPHVVNOZ-UHFFFAOYSA-N 1 2 298.262 1.756 10 5 CDBELO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447464 342546698 /nfs/dbraw/zinc/54/66/98/342546698.db2.gz XRBKSOCTCWNOPZ-TVQRCGJNSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447464 342546699 /nfs/dbraw/zinc/54/66/99/342546699.db2.gz XRBKSOCTCWNOPZ-TVQRCGJNSA-N 1 2 291.307 1.077 10 5 CDBELO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000598942154 343923967 /nfs/dbraw/zinc/92/39/67/343923967.db2.gz JBFSLTNFUDKSGX-NSHDSACASA-N 1 2 286.291 1.454 10 5 CDBELO C[C@@](O)(CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599070434 343948907 /nfs/dbraw/zinc/94/89/07/343948907.db2.gz HPKTWLFCKMIAAR-ZDUSSCGKSA-N 1 2 277.280 1.298 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000108945458 186236917 /nfs/dbraw/zinc/23/69/17/186236917.db2.gz CPAUUFNSBHDHPH-VIFPVBQESA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000108945458 186236919 /nfs/dbraw/zinc/23/69/19/186236919.db2.gz CPAUUFNSBHDHPH-VIFPVBQESA-N 1 2 269.276 1.476 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000293717274 363100357 /nfs/dbraw/zinc/10/03/57/363100357.db2.gz YEWDSQGDBXMZLZ-SNVBAGLBSA-N 1 2 277.280 1.957 10 5 CDBELO COC[C@H]1CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000293717274 363100360 /nfs/dbraw/zinc/10/03/60/363100360.db2.gz YEWDSQGDBXMZLZ-SNVBAGLBSA-N 1 2 277.280 1.957 10 5 CDBELO Cc1cnc(N(C)Cc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000127115828 356434716 /nfs/dbraw/zinc/43/47/16/356434716.db2.gz UTSNSMYNSGEXEF-UHFFFAOYSA-N 1 2 273.296 1.912 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070980926 357178611 /nfs/dbraw/zinc/17/86/11/357178611.db2.gz OHRWAKZLWCJITL-UHFFFAOYSA-N 1 2 274.280 1.899 10 5 CDBELO CNC(=O)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339074143 283385980 /nfs/dbraw/zinc/38/59/80/283385980.db2.gz OMRUTYGFAOKTDD-LBPRGKRZSA-N 1 2 281.312 1.161 10 5 CDBELO COc1cc(NC[C@@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000599161265 358729702 /nfs/dbraw/zinc/72/97/02/358729702.db2.gz NJWFWAOXIFEKRR-LLVKDONJSA-N 1 2 281.312 1.346 10 5 CDBELO COc1cc(NC[C@@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000599161265 358729706 /nfs/dbraw/zinc/72/97/06/358729706.db2.gz NJWFWAOXIFEKRR-LLVKDONJSA-N 1 2 281.312 1.346 10 5 CDBELO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339127561 359296690 /nfs/dbraw/zinc/29/66/90/359296690.db2.gz UNZQVYQZJVCANU-CABZTGNLSA-N 1 2 266.297 1.815 10 5 CDBELO COCCOCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347804505 359661270 /nfs/dbraw/zinc/66/12/70/359661270.db2.gz FVWINXWSNXQOOY-UHFFFAOYSA-N 1 2 281.312 1.011 10 5 CDBELO COCCOCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347804505 359661271 /nfs/dbraw/zinc/66/12/71/359661271.db2.gz FVWINXWSNXQOOY-UHFFFAOYSA-N 1 2 281.312 1.011 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275389947 193018910 /nfs/dbraw/zinc/01/89/10/193018910.db2.gz AVXJRYCHYUDVKI-JTQLQIEISA-N 1 2 275.312 1.883 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@@H]2CCO)cs1 ZINC000330628107 203056926 /nfs/dbraw/zinc/05/69/26/203056926.db2.gz YIFDSRCRQWCASG-JTQLQIEISA-N 1 2 288.394 1.956 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@@H]2CCO)cs1 ZINC000330628107 203056928 /nfs/dbraw/zinc/05/69/28/203056928.db2.gz YIFDSRCRQWCASG-JTQLQIEISA-N 1 2 288.394 1.956 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000368812938 374329622 /nfs/dbraw/zinc/32/96/22/374329622.db2.gz ASMUPEORKKHBOQ-AWEZNQCLSA-N 1 2 277.324 1.111 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000368812938 374329625 /nfs/dbraw/zinc/32/96/25/374329625.db2.gz ASMUPEORKKHBOQ-AWEZNQCLSA-N 1 2 277.324 1.111 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000069896114 379080303 /nfs/dbraw/zinc/08/03/03/379080303.db2.gz CHAPEVDOSMIRAW-RYUDHWBXSA-N 1 2 294.355 1.819 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCCO1)CC2 ZINC000408196752 285184126 /nfs/dbraw/zinc/18/41/26/285184126.db2.gz FKLOFLJPVOKKGV-LBPRGKRZSA-N 1 2 263.297 1.527 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCCO1)CC2 ZINC000408196752 285184127 /nfs/dbraw/zinc/18/41/27/285184127.db2.gz FKLOFLJPVOKKGV-LBPRGKRZSA-N 1 2 263.297 1.527 10 5 CDBELO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1[NH+]1CCOCC1 ZINC000249462214 391904503 /nfs/dbraw/zinc/90/45/03/391904503.db2.gz ZQMABONJXUSBGU-VHSXEESVSA-N 1 2 298.368 1.208 10 5 CDBELO CCc1nn(C)c(NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC000313463731 260296412 /nfs/dbraw/zinc/29/64/12/260296412.db2.gz UBTGWPOBLGIUNP-UHFFFAOYSA-N 1 2 278.316 1.279 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000339095086 280369205 /nfs/dbraw/zinc/36/92/05/280369205.db2.gz ZQDORBIEAVULDI-LBPRGKRZSA-N 1 2 264.281 1.257 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000339095086 280369210 /nfs/dbraw/zinc/36/92/10/280369210.db2.gz ZQDORBIEAVULDI-LBPRGKRZSA-N 1 2 264.281 1.257 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000127728495 281013742 /nfs/dbraw/zinc/01/37/42/281013742.db2.gz JCZBPQYTQHDZIB-LBPRGKRZSA-N 1 2 292.339 1.209 10 5 CDBELO C[NH2+]C[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000584468493 329492158 /nfs/dbraw/zinc/49/21/58/329492158.db2.gz ULGIXISQGYSROM-ZETCQYMHSA-N 1 2 253.258 1.094 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N(C)C ZINC000050813456 520328980 /nfs/dbraw/zinc/32/89/80/520328980.db2.gz ZCPLXVYMRJNJHH-UHFFFAOYSA-N 1 2 294.355 1.547 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N(C)C ZINC000050813456 520328985 /nfs/dbraw/zinc/32/89/85/520328985.db2.gz ZCPLXVYMRJNJHH-UHFFFAOYSA-N 1 2 294.355 1.547 10 5 CDBELO C[NH2+][C@](COc1ccc([N+](=O)[O-])cc1)(C(=O)OC)C1CC1 ZINC000069194430 522529520 /nfs/dbraw/zinc/52/95/20/522529520.db2.gz HUTCOQZQRQVPIU-AWEZNQCLSA-N 1 2 294.307 1.515 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1N ZINC000052840977 524965656 /nfs/dbraw/zinc/96/56/56/524965656.db2.gz HMILHYGLFDXURX-VIFPVBQESA-N 1 2 261.285 1.874 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000183225778 525564437 /nfs/dbraw/zinc/56/44/37/525564437.db2.gz NZSYOJRRHMXZMR-CYBMUJFWSA-N 1 2 298.364 1.522 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000183225778 525564448 /nfs/dbraw/zinc/56/44/48/525564448.db2.gz NZSYOJRRHMXZMR-CYBMUJFWSA-N 1 2 298.364 1.522 10 5 CDBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912909455 630275893 /nfs/dbraw/zinc/27/58/93/630275893.db2.gz RYVAVCULWQBQLW-JTQLQIEISA-N 1 2 291.307 1.221 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NC[C@H]2c3ccccc3C[N@H+]2C)n1 ZINC001640292990 1167011930 /nfs/dbraw/zinc/01/19/30/1167011930.db2.gz VLWBVSWOXDYLQU-LBPRGKRZSA-N 1 2 287.323 1.927 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NC[C@H]2c3ccccc3C[N@@H+]2C)n1 ZINC001640292990 1167011936 /nfs/dbraw/zinc/01/19/36/1167011936.db2.gz VLWBVSWOXDYLQU-LBPRGKRZSA-N 1 2 287.323 1.927 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)CCn1cc[nH+]c1 ZINC001652732507 1171470928 /nfs/dbraw/zinc/47/09/28/1171470928.db2.gz TVKOSWHDUUZMTI-UHFFFAOYSA-N 1 2 290.279 1.829 10 5 CDBELO Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001587559681 1172991073 /nfs/dbraw/zinc/99/10/73/1172991073.db2.gz IQJVYROXHQRFCO-UHFFFAOYSA-N 1 2 274.280 1.416 10 5 CDBELO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000711134429 749980811 /nfs/dbraw/zinc/98/08/11/749980811.db2.gz GRCAAFHBYDAQPZ-SSDOTTSWSA-N 1 2 271.704 1.554 10 5 CDBELO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000711134429 749980818 /nfs/dbraw/zinc/98/08/18/749980818.db2.gz GRCAAFHBYDAQPZ-SSDOTTSWSA-N 1 2 271.704 1.554 10 5 CDBELO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000922641453 753161030 /nfs/dbraw/zinc/16/10/30/753161030.db2.gz LPYWSZVIIPCJPA-KWQFWETISA-N 1 2 252.270 1.425 10 5 CDBELO Cn1cc(C[N@@H+]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])n1 ZINC001560240893 960905805 /nfs/dbraw/zinc/90/58/05/960905805.db2.gz XTJGTGMYZXCWJV-UHFFFAOYSA-N 1 2 288.307 1.592 10 5 CDBELO Cn1cc(C[N@H+]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])n1 ZINC001560240893 960905810 /nfs/dbraw/zinc/90/58/10/960905810.db2.gz XTJGTGMYZXCWJV-UHFFFAOYSA-N 1 2 288.307 1.592 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)n1 ZINC001543925952 967326746 /nfs/dbraw/zinc/32/67/46/967326746.db2.gz DMMDRWFJNCTTAS-SNVBAGLBSA-N 1 2 289.295 1.313 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001466636628 969983173 /nfs/dbraw/zinc/98/31/73/969983173.db2.gz UQVGOUXZPANUNY-LLVKDONJSA-N 1 2 289.295 1.504 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001466636628 969983177 /nfs/dbraw/zinc/98/31/77/969983177.db2.gz UQVGOUXZPANUNY-LLVKDONJSA-N 1 2 289.295 1.504 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000592257485 342683501 /nfs/dbraw/zinc/68/35/01/342683501.db2.gz GNXOCXOYKYXAMX-NOZJJQNGSA-N 1 2 277.280 1.239 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593102126 342767587 /nfs/dbraw/zinc/76/75/87/342767587.db2.gz QGDZQPNGSZEMRZ-PZROIBLQSA-N 1 2 266.322 1.300 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593102126 342767588 /nfs/dbraw/zinc/76/75/88/342767588.db2.gz QGDZQPNGSZEMRZ-PZROIBLQSA-N 1 2 266.322 1.300 10 5 CDBELO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000595067158 343002130 /nfs/dbraw/zinc/00/21/30/343002130.db2.gz LRTMFVCTQOBYSO-SECBINFHSA-N 1 2 291.311 1.710 10 5 CDBELO C[C@]12COC[C@@H]1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595755798 343142195 /nfs/dbraw/zinc/14/21/95/343142195.db2.gz CVEBVGHQDGVPOF-FZMZJTMJSA-N 1 2 278.308 1.769 10 5 CDBELO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595755798 343142198 /nfs/dbraw/zinc/14/21/98/343142198.db2.gz CVEBVGHQDGVPOF-FZMZJTMJSA-N 1 2 278.308 1.769 10 5 CDBELO CC(C)C[N@H+](CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092010972 342409552 /nfs/dbraw/zinc/40/95/52/342409552.db2.gz XGTLXUSBMHILGD-UHFFFAOYSA-N 1 2 281.312 1.244 10 5 CDBELO CC(C)C[N@@H+](CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092010972 342409553 /nfs/dbraw/zinc/40/95/53/342409553.db2.gz XGTLXUSBMHILGD-UHFFFAOYSA-N 1 2 281.312 1.244 10 5 CDBELO COc1cc(NC[C@H]2COCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000599159364 343970711 /nfs/dbraw/zinc/97/07/11/343970711.db2.gz ARIGNJCDIVXTIS-VIFPVBQESA-N 1 2 299.302 1.485 10 5 CDBELO COc1cc(NC[C@H]2COCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000599159364 343970713 /nfs/dbraw/zinc/97/07/13/343970713.db2.gz ARIGNJCDIVXTIS-VIFPVBQESA-N 1 2 299.302 1.485 10 5 CDBELO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]ccn3c2)n1 ZINC000611334951 346750545 /nfs/dbraw/zinc/75/05/45/346750545.db2.gz KZWFXNZPNSSKFX-UHFFFAOYSA-N 1 2 286.251 1.228 10 5 CDBELO [NH3+][C@@]1(C(F)(F)CO)CCCc2ccc([N+](=O)[O-])cc21 ZINC000147933082 348724767 /nfs/dbraw/zinc/72/47/67/348724767.db2.gz NMPXREQXJAXJHU-NSHDSACASA-N 1 2 272.251 1.713 10 5 CDBELO O=C(Cn1cc[nH+]c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000073848803 350075076 /nfs/dbraw/zinc/07/50/76/350075076.db2.gz DBAZEFCCSCPBAA-UHFFFAOYSA-N 1 2 272.264 1.381 10 5 CDBELO [NH3+]C1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000236188985 363006555 /nfs/dbraw/zinc/00/65/55/363006555.db2.gz GJYREPHNSIVZFC-UHFFFAOYSA-N 1 2 279.296 1.756 10 5 CDBELO Cc1sc(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000049388494 359303970 /nfs/dbraw/zinc/30/39/70/359303970.db2.gz ULPQMNZOULNNSV-UHFFFAOYSA-N 1 2 295.364 1.885 10 5 CDBELO CNC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000180241298 189245925 /nfs/dbraw/zinc/24/59/25/189245925.db2.gz OGDVKSHSJSRFDO-GWCFXTLKSA-N 1 2 293.323 1.103 10 5 CDBELO CNC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000180241298 189245926 /nfs/dbraw/zinc/24/59/26/189245926.db2.gz OGDVKSHSJSRFDO-GWCFXTLKSA-N 1 2 293.323 1.103 10 5 CDBELO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000272592959 367780572 /nfs/dbraw/zinc/78/05/72/367780572.db2.gz VZWDOBQWUUOWPX-UHFFFAOYSA-N 1 2 291.307 1.221 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000543791643 374751749 /nfs/dbraw/zinc/75/17/49/374751749.db2.gz PXUXZEKIMFEBQD-LBPRGKRZSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000543791643 374751752 /nfs/dbraw/zinc/75/17/52/374751752.db2.gz PXUXZEKIMFEBQD-LBPRGKRZSA-N 1 2 294.355 1.739 10 5 CDBELO COc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1[N+](=O)[O-] ZINC000353444077 375609596 /nfs/dbraw/zinc/60/95/96/375609596.db2.gz FYGIBPATYBLXHD-UHFFFAOYSA-N 1 2 276.296 1.959 10 5 CDBELO COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1[N+](=O)[O-] ZINC000353444077 375609600 /nfs/dbraw/zinc/60/96/00/375609600.db2.gz FYGIBPATYBLXHD-UHFFFAOYSA-N 1 2 276.296 1.959 10 5 CDBELO Cc1ccc(C[NH2+]Cc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000213171647 140160575 /nfs/dbraw/zinc/16/05/75/140160575.db2.gz JDMPOXBIIHRDQC-UHFFFAOYSA-N 1 2 260.297 1.927 10 5 CDBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000373580455 160212599 /nfs/dbraw/zinc/21/25/99/160212599.db2.gz FYXKGSSPTNOGDW-CABCVRRESA-N 1 2 292.335 1.739 10 5 CDBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000373580455 160212601 /nfs/dbraw/zinc/21/26/01/160212601.db2.gz FYXKGSSPTNOGDW-CABCVRRESA-N 1 2 292.335 1.739 10 5 CDBELO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000071275987 176106637 /nfs/dbraw/zinc/10/66/37/176106637.db2.gz ARTVFFMHRBEIGZ-UHFFFAOYSA-N 1 2 278.243 1.397 10 5 CDBELO O=C(NCCc1c[nH+]c[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000078742694 177380723 /nfs/dbraw/zinc/38/07/23/177380723.db2.gz JGWYLEOANDRTIO-UHFFFAOYSA-N 1 2 278.243 1.430 10 5 CDBELO O=C(NCCc1c[nH]c[nH+]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000078742694 177380724 /nfs/dbraw/zinc/38/07/24/177380724.db2.gz JGWYLEOANDRTIO-UHFFFAOYSA-N 1 2 278.243 1.430 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC000364682339 281544273 /nfs/dbraw/zinc/54/42/73/281544273.db2.gz AFQRXJFVJFQZOT-UHFFFAOYSA-N 1 2 287.279 1.151 10 5 CDBELO CCOC(=O)[C@H]([NH3+])COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471831 521259468 /nfs/dbraw/zinc/25/94/68/521259468.db2.gz BHQTZFUICMNQSX-SECBINFHSA-N 1 2 288.687 1.517 10 5 CDBELO C[NH2+][C@@H](CCOc1cccc(C)c1[N+](=O)[O-])C(=O)OC ZINC000062540754 522350283 /nfs/dbraw/zinc/35/02/83/522350283.db2.gz XULNAQXAHXIWCB-JTQLQIEISA-N 1 2 282.296 1.433 10 5 CDBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)NC ZINC000050813377 520171405 /nfs/dbraw/zinc/17/14/05/520171405.db2.gz RUMOQEPVTRDXFP-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)NC ZINC000050813377 520171410 /nfs/dbraw/zinc/17/14/10/520171410.db2.gz RUMOQEPVTRDXFP-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCOC(=O)[C@@H](CCOc1ccccc1[N+](=O)[O-])[NH2+]C ZINC000062539496 521061535 /nfs/dbraw/zinc/06/15/35/521061535.db2.gz VORMKDVVIYCZJJ-SNVBAGLBSA-N 1 2 282.296 1.515 10 5 CDBELO C[NH2+][C@](C)(C[C@@H](C)Oc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000068650981 522519476 /nfs/dbraw/zinc/51/94/76/522519476.db2.gz SFOQXYKQHNAKRL-QMTHXVAHSA-N 1 2 296.323 1.903 10 5 CDBELO COC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356893 522869229 /nfs/dbraw/zinc/86/92/29/522869229.db2.gz AMHULJFLWMMHAF-CQSZACIVSA-N 1 2 280.324 1.750 10 5 CDBELO COC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356893 522869237 /nfs/dbraw/zinc/86/92/37/522869237.db2.gz AMHULJFLWMMHAF-CQSZACIVSA-N 1 2 280.324 1.750 10 5 CDBELO Nc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000050815255 527504281 /nfs/dbraw/zinc/50/42/81/527504281.db2.gz WFJIVKYCRWQWPC-KBPBESRZSA-N 1 2 277.324 1.930 10 5 CDBELO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000050815255 527504289 /nfs/dbraw/zinc/50/42/89/527504289.db2.gz WFJIVKYCRWQWPC-KBPBESRZSA-N 1 2 277.324 1.930 10 5 CDBELO Cn1nccc1C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000152203562 630931629 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CCC(=O)N(C)CCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001570189068 1170106488 /nfs/dbraw/zinc/10/64/88/1170106488.db2.gz LCMAVICXLQLWKH-UHFFFAOYSA-N 1 2 297.359 1.019 10 5 CDBELO CCC(=O)N(C)CCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC001570189068 1170106492 /nfs/dbraw/zinc/10/64/92/1170106492.db2.gz LCMAVICXLQLWKH-UHFFFAOYSA-N 1 2 297.359 1.019 10 5 CDBELO CCc1[nH]c(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c[nH+]1 ZINC001652460596 1171435904 /nfs/dbraw/zinc/43/59/04/1171435904.db2.gz GRPVBXMREVIZRX-UHFFFAOYSA-N 1 2 289.295 1.393 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[nH+]1 ZINC001652460596 1171435911 /nfs/dbraw/zinc/43/59/11/1171435911.db2.gz GRPVBXMREVIZRX-UHFFFAOYSA-N 1 2 289.295 1.393 10 5 CDBELO Cn1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)ccc1[N+](=O)[O-] ZINC000857989930 755816065 /nfs/dbraw/zinc/81/60/65/755816065.db2.gz UGWMDTZHNGDPOP-MRVPVSSYSA-N 1 2 275.268 1.005 10 5 CDBELO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NC ZINC000872077640 756077193 /nfs/dbraw/zinc/07/71/93/756077193.db2.gz KNVBYJYLOMAZMM-SCZZXKLOSA-N 1 2 283.303 1.909 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001149165341 936991389 /nfs/dbraw/zinc/99/13/89/936991389.db2.gz ZWSGFTFFEZERSW-NSHDSACASA-N 1 2 290.254 1.805 10 5 CDBELO CCc1[nH]c(CNc2c([N+](=O)[O-])ncn2C)c[nH+]1 ZINC001164243297 939440194 /nfs/dbraw/zinc/44/01/94/939440194.db2.gz KSBLCRNDUGLAEB-UHFFFAOYSA-N 1 2 250.262 1.226 10 5 CDBELO CCc1[nH]cc(CNc2c([N+](=O)[O-])ncn2C)[nH+]1 ZINC001164243297 939440197 /nfs/dbraw/zinc/44/01/97/939440197.db2.gz KSBLCRNDUGLAEB-UHFFFAOYSA-N 1 2 250.262 1.226 10 5 CDBELO C[C@H]1C[N@H+](CCNc2ncc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000601194387 342488690 /nfs/dbraw/zinc/48/86/90/342488690.db2.gz ZVTXJHJLMGXZEY-UWVGGRQHSA-N 1 2 298.318 1.650 10 5 CDBELO C[C@H]1C[N@@H+](CCNc2ncc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000601194387 342488691 /nfs/dbraw/zinc/48/86/91/342488691.db2.gz ZVTXJHJLMGXZEY-UWVGGRQHSA-N 1 2 298.318 1.650 10 5 CDBELO COCc1n[nH]c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000594969178 342992057 /nfs/dbraw/zinc/99/20/57/342992057.db2.gz OCBPLCVFGGPSHL-UHFFFAOYSA-N 1 2 291.311 1.458 10 5 CDBELO O=C1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000595303767 343030399 /nfs/dbraw/zinc/03/03/99/343030399.db2.gz CFTVGFQDBHGGQC-UHFFFAOYSA-N 1 2 267.260 1.056 10 5 CDBELO O=C1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000595303767 343030400 /nfs/dbraw/zinc/03/04/00/343030400.db2.gz CFTVGFQDBHGGQC-UHFFFAOYSA-N 1 2 267.260 1.056 10 5 CDBELO CCN1OC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000595414042 343051188 /nfs/dbraw/zinc/05/11/88/343051188.db2.gz HUSIRSGDBHEAEF-CABZTGNLSA-N 1 2 279.296 1.408 10 5 CDBELO Cc1c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000598943651 343924875 /nfs/dbraw/zinc/92/48/75/343924875.db2.gz VDVWTSIELUNVGV-JTQLQIEISA-N 1 2 286.291 1.454 10 5 CDBELO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597702191 358693092 /nfs/dbraw/zinc/69/30/92/358693092.db2.gz YXKNHPXMUMYRSY-ONGXEEELSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@H]1SCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000408311530 359023449 /nfs/dbraw/zinc/02/34/49/359023449.db2.gz ZLXHAXGLKRSCTF-RKDXNWHRSA-N 1 2 270.358 1.654 10 5 CDBELO C[C@H]1SCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000408311530 359023455 /nfs/dbraw/zinc/02/34/55/359023455.db2.gz ZLXHAXGLKRSCTF-RKDXNWHRSA-N 1 2 270.358 1.654 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338967484 359252654 /nfs/dbraw/zinc/25/26/54/359252654.db2.gz SGCAQZNIAREEQQ-OKILXGFUSA-N 1 2 278.308 1.503 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338967484 359252659 /nfs/dbraw/zinc/25/26/59/359252659.db2.gz SGCAQZNIAREEQQ-OKILXGFUSA-N 1 2 278.308 1.503 10 5 CDBELO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068080199 374457256 /nfs/dbraw/zinc/45/72/56/374457256.db2.gz YJSMTBHOPUXMRM-SNVBAGLBSA-N 1 2 295.339 1.761 10 5 CDBELO COc1cc(C[N@H+](C2CC2)C2COC2)ccc1[N+](=O)[O-] ZINC000451127470 390600481 /nfs/dbraw/zinc/60/04/81/390600481.db2.gz UTODWXHEGPIMJG-UHFFFAOYSA-N 1 2 278.308 1.967 10 5 CDBELO COc1cc(C[N@@H+](C2CC2)C2COC2)ccc1[N+](=O)[O-] ZINC000451127470 390600483 /nfs/dbraw/zinc/60/04/83/390600483.db2.gz UTODWXHEGPIMJG-UHFFFAOYSA-N 1 2 278.308 1.967 10 5 CDBELO Cc1nnc([C@@H](C)Nc2[nH]c3cc([N+](=O)[O-])ccc3[nH+]2)[nH]1 ZINC000392540492 393158587 /nfs/dbraw/zinc/15/85/87/393158587.db2.gz YNIIAYDJQZZJNA-ZCFIWIBFSA-N 1 2 287.283 1.493 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001583088549 1172736510 /nfs/dbraw/zinc/73/65/10/1172736510.db2.gz YATTZKSQXJLVIJ-UHFFFAOYSA-N 1 2 274.280 1.219 10 5 CDBELO CC(C)CNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153403399 289168576 /nfs/dbraw/zinc/16/85/76/289168576.db2.gz KNHZDWLRSBYHSV-UHFFFAOYSA-N 1 2 291.351 1.725 10 5 CDBELO CC(C)CNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153403399 289168579 /nfs/dbraw/zinc/16/85/79/289168579.db2.gz KNHZDWLRSBYHSV-UHFFFAOYSA-N 1 2 291.351 1.725 10 5 CDBELO Cc1c[nH+]c(C)nc1NCCNc1ccc([N+](=O)[O-])cc1 ZINC000578205523 317492621 /nfs/dbraw/zinc/49/26/21/317492621.db2.gz RZIKJGWYWOANJS-UHFFFAOYSA-N 1 2 287.323 1.948 10 5 CDBELO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182184272 323266365 /nfs/dbraw/zinc/26/63/65/323266365.db2.gz ICVGHOHRQFTKQJ-UHFFFAOYSA-N 1 2 281.312 1.324 10 5 CDBELO C[NH2+][C@H](CCOc1cc(F)ccc1[N+](=O)[O-])C(=O)OC ZINC000062540172 522461175 /nfs/dbraw/zinc/46/11/75/522461175.db2.gz XTQQOMLOJMDCQU-SECBINFHSA-N 1 2 286.259 1.264 10 5 CDBELO COC(=O)[C@@](C)([NH3+])COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471983 523816345 /nfs/dbraw/zinc/81/63/45/523816345.db2.gz DOAHJRVEIPSSOJ-NSHDSACASA-N 1 2 288.687 1.517 10 5 CDBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000898604527 621808610 /nfs/dbraw/zinc/80/86/10/621808610.db2.gz JTZOQVGFDMXPRX-UHFFFAOYSA-N 1 2 291.307 1.221 10 5 CDBELO CCC/C=C/CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001268301360 1159876354 /nfs/dbraw/zinc/87/63/54/1159876354.db2.gz VQPMMOVAAJISMI-IJWDBEHRSA-N 1 2 281.356 1.198 10 5 CDBELO CCNc1cc(CNc2ncc([N+](=O)[O-])c(N)n2)cc[nH+]1 ZINC001640242416 1167007833 /nfs/dbraw/zinc/00/78/33/1167007833.db2.gz ASCLGINRPAKIJS-UHFFFAOYSA-N 1 2 289.299 1.406 10 5 CDBELO O=[N+]([O-])c1c(NC[C@@H](O)c2c[nH+]c[nH]2)nc2sccn21 ZINC001643176849 1167230776 /nfs/dbraw/zinc/23/07/76/1167230776.db2.gz FZOANSFPMKHUFL-SSDOTTSWSA-N 1 2 294.296 1.173 10 5 CDBELO CCN1CC[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000851869583 769425988 /nfs/dbraw/zinc/42/59/88/769425988.db2.gz LCGMLTFKSLSJII-AWEZNQCLSA-N 1 2 289.335 1.574 10 5 CDBELO CCN1CC[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000851869583 769426003 /nfs/dbraw/zinc/42/60/03/769426003.db2.gz LCGMLTFKSLSJII-AWEZNQCLSA-N 1 2 289.335 1.574 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844755806 771351465 /nfs/dbraw/zinc/35/14/65/771351465.db2.gz HJQZROUZMSSYNY-SECBINFHSA-N 1 2 258.228 1.480 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844755806 771351469 /nfs/dbraw/zinc/35/14/69/771351469.db2.gz HJQZROUZMSSYNY-SECBINFHSA-N 1 2 258.228 1.480 10 5 CDBELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930654942 772309939 /nfs/dbraw/zinc/30/99/39/772309939.db2.gz FGJSFQQIWQFDAC-SECBINFHSA-N 1 2 269.267 1.079 10 5 CDBELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930654942 772309943 /nfs/dbraw/zinc/30/99/43/772309943.db2.gz FGJSFQQIWQFDAC-SECBINFHSA-N 1 2 269.267 1.079 10 5 CDBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000859905513 772524038 /nfs/dbraw/zinc/52/40/38/772524038.db2.gz KWLRCGCOGAFRIV-ZIAGYGMSSA-N 1 2 298.314 1.689 10 5 CDBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000859905513 772524041 /nfs/dbraw/zinc/52/40/41/772524041.db2.gz KWLRCGCOGAFRIV-ZIAGYGMSSA-N 1 2 298.314 1.689 10 5 CDBELO CCc1[nH]c(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])c[nH+]1 ZINC001646325887 1167782604 /nfs/dbraw/zinc/78/26/04/1167782604.db2.gz SZQFCDZPEFYLSY-UHFFFAOYSA-N 1 2 292.299 1.027 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])[nH+]1 ZINC001646325887 1167782609 /nfs/dbraw/zinc/78/26/09/1167782609.db2.gz SZQFCDZPEFYLSY-UHFFFAOYSA-N 1 2 292.299 1.027 10 5 CDBELO Cc1[nH]c(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[nH+]c1C ZINC001294516153 954520190 /nfs/dbraw/zinc/52/01/90/954520190.db2.gz UHOFETITYRDSOM-UHFFFAOYSA-N 1 2 289.295 1.447 10 5 CDBELO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001468255931 970140932 /nfs/dbraw/zinc/14/09/32/970140932.db2.gz FASHCIAQADNSCS-RYBZSIHZSA-N 1 2 298.302 1.546 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001468814834 970194126 /nfs/dbraw/zinc/19/41/26/970194126.db2.gz FUPVKSAABKMQCQ-UHFFFAOYSA-N 1 2 292.270 1.440 10 5 CDBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCC1CC1 ZINC000534509035 282198525 /nfs/dbraw/zinc/19/85/25/282198525.db2.gz BOLVIBJQDJKQFJ-UHFFFAOYSA-N 1 2 289.335 1.479 10 5 CDBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCC1CC1 ZINC000534509035 282198528 /nfs/dbraw/zinc/19/85/28/282198528.db2.gz BOLVIBJQDJKQFJ-UHFFFAOYSA-N 1 2 289.335 1.479 10 5 CDBELO Cn1cnc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000595424852 343056462 /nfs/dbraw/zinc/05/64/62/343056462.db2.gz PFXNIVWNLRASCA-UHFFFAOYSA-N 1 2 273.296 1.282 10 5 CDBELO Cn1cnc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000595424852 343056463 /nfs/dbraw/zinc/05/64/63/343056463.db2.gz PFXNIVWNLRASCA-UHFFFAOYSA-N 1 2 273.296 1.282 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093344482 342422623 /nfs/dbraw/zinc/42/26/23/342422623.db2.gz FIAOYSIXXNPFCN-SCZZXKLOSA-N 1 2 256.327 1.859 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093344482 342422624 /nfs/dbraw/zinc/42/26/24/342422624.db2.gz FIAOYSIXXNPFCN-SCZZXKLOSA-N 1 2 256.327 1.859 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000599160842 343971006 /nfs/dbraw/zinc/97/10/06/343971006.db2.gz 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ZINC000599084196 343958231 /nfs/dbraw/zinc/95/82/31/343958231.db2.gz PVBLRFPTIVYKFL-ZWNOBZJWSA-N 1 2 293.323 1.232 10 5 CDBELO Cc1nnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000293096115 362529400 /nfs/dbraw/zinc/52/94/00/362529400.db2.gz ITDDYBHUXKCVKU-MRVPVSSYSA-N 1 2 261.285 1.872 10 5 CDBELO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC(F)(F)C[NH2+]1 ZINC000263299851 362727150 /nfs/dbraw/zinc/72/71/50/362727150.db2.gz WWTRYOUIAYQLDQ-SNVBAGLBSA-N 1 2 299.277 1.251 10 5 CDBELO CN(C)c1[nH+]cccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046940743 348801147 /nfs/dbraw/zinc/80/11/47/348801147.db2.gz YSUNUFSVIBCJJK-UHFFFAOYSA-N 1 2 289.295 1.314 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285458681 358065002 /nfs/dbraw/zinc/06/50/02/358065002.db2.gz ZDFSNGJOSMOSOM-OAHLLOKOSA-N 1 2 292.335 1.976 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285458681 358065006 /nfs/dbraw/zinc/06/50/06/358065006.db2.gz ZDFSNGJOSMOSOM-OAHLLOKOSA-N 1 2 292.335 1.976 10 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/nfs/dbraw/zinc/89/04/59/374890459.db2.gz BUQLSWFYFGVHGT-OLZOCXBDSA-N 1 2 293.367 1.654 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000331123041 374890463 /nfs/dbraw/zinc/89/04/63/374890463.db2.gz BUQLSWFYFGVHGT-OLZOCXBDSA-N 1 2 293.367 1.654 10 5 CDBELO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000279648267 374940948 /nfs/dbraw/zinc/94/09/48/374940948.db2.gz BJSMOYSMXOTLFH-SECBINFHSA-N 1 2 256.327 1.859 10 5 CDBELO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000279648267 374940954 /nfs/dbraw/zinc/94/09/54/374940954.db2.gz BJSMOYSMXOTLFH-SECBINFHSA-N 1 2 256.327 1.859 10 5 CDBELO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000226564166 375368783 /nfs/dbraw/zinc/36/87/83/375368783.db2.gz RYRIWQYQFCGEGF-SNVBAGLBSA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000226564166 375368788 /nfs/dbraw/zinc/36/87/88/375368788.db2.gz RYRIWQYQFCGEGF-SNVBAGLBSA-N 1 2 279.296 1.124 10 5 CDBELO CNC(=O)c1ccc(NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000357600932 375920257 /nfs/dbraw/zinc/92/02/57/375920257.db2.gz XSIUAMHDQMDUOU-UHFFFAOYSA-N 1 2 289.295 1.300 10 5 CDBELO CCOCC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000444681064 250165762 /nfs/dbraw/zinc/16/57/62/250165762.db2.gz SBPHBUAOLWGKHN-ZDUSSCGKSA-N 1 2 295.339 1.135 10 5 CDBELO CCOCC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000444681064 250165765 /nfs/dbraw/zinc/16/57/65/250165765.db2.gz SBPHBUAOLWGKHN-ZDUSSCGKSA-N 1 2 295.339 1.135 10 5 CDBELO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC000373394470 285172389 /nfs/dbraw/zinc/17/23/89/285172389.db2.gz UEGMVKKRCZXQHS-UHFFFAOYSA-N 1 2 274.284 1.492 10 5 CDBELO O=[N+]([O-])c1cnc(N2CCC(c3c[nH+]c[nH]3)CC2)nc1 ZINC000373394470 285172391 /nfs/dbraw/zinc/17/23/91/285172391.db2.gz UEGMVKKRCZXQHS-UHFFFAOYSA-N 1 2 274.284 1.492 10 5 CDBELO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412065602 391103873 /nfs/dbraw/zinc/10/38/73/391103873.db2.gz 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CCOC(=O)[C@@H](CCOc1ccc(C)cc1[N+](=O)[O-])[NH2+]C ZINC000062541836 521059509 /nfs/dbraw/zinc/05/95/09/521059509.db2.gz SFBHCASEWUGKTQ-LLVKDONJSA-N 1 2 296.323 1.823 10 5 CDBELO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816163 526999583 /nfs/dbraw/zinc/99/95/83/526999583.db2.gz KRWNZMSSMZAYJN-LLVKDONJSA-N 1 2 278.312 1.017 10 5 CDBELO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816163 526999587 /nfs/dbraw/zinc/99/95/87/526999587.db2.gz KRWNZMSSMZAYJN-LLVKDONJSA-N 1 2 278.312 1.017 10 5 CDBELO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000420999845 538424381 /nfs/dbraw/zinc/42/43/81/538424381.db2.gz CCEKBJDLWOUYMF-SKDRFNHKSA-N 1 2 266.297 1.646 10 5 CDBELO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000420999845 538424384 /nfs/dbraw/zinc/42/43/84/538424384.db2.gz CCEKBJDLWOUYMF-SKDRFNHKSA-N 1 2 266.297 1.646 10 5 CDBELO Cc1ccc(C[NH2+]Cc2ncnn2C)cc1[N+](=O)[O-] ZINC000080531619 775825907 /nfs/dbraw/zinc/82/59/07/775825907.db2.gz NPJHZFUFOHASJM-UHFFFAOYSA-N 1 2 261.285 1.322 10 5 CDBELO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000715833906 775953444 /nfs/dbraw/zinc/95/34/44/775953444.db2.gz BNNKDAGMJGNMHI-SECBINFHSA-N 1 2 261.285 1.574 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799159332 779316576 /nfs/dbraw/zinc/31/65/76/779316576.db2.gz GDTTZOFRWJNYKA-LLVKDONJSA-N 1 2 273.296 1.633 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799159332 779316580 /nfs/dbraw/zinc/31/65/80/779316580.db2.gz GDTTZOFRWJNYKA-LLVKDONJSA-N 1 2 273.296 1.633 10 5 CDBELO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078528 780153123 /nfs/dbraw/zinc/15/31/23/780153123.db2.gz IPCQVDWYAUALKA-PTOFAABTSA-N 1 2 284.287 1.798 10 5 CDBELO COCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001135437549 930204469 /nfs/dbraw/zinc/20/44/69/930204469.db2.gz BPGUQZYSMUDMJZ-UHFFFAOYSA-N 1 2 290.279 1.157 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001444511939 965857449 /nfs/dbraw/zinc/85/74/49/965857449.db2.gz IWHWVJUWJMWJQS-ZDUSSCGKSA-N 1 2 275.308 1.578 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001444511939 965857462 /nfs/dbraw/zinc/85/74/62/965857462.db2.gz IWHWVJUWJMWJQS-ZDUSSCGKSA-N 1 2 275.308 1.578 10 5 CDBELO CCNc1ccc(Nc2ncc([N+](=O)[O-])cn2)c[nH+]1 ZINC001472905264 970725576 /nfs/dbraw/zinc/72/55/76/970725576.db2.gz PCXARPKBGBKZIA-UHFFFAOYSA-N 1 2 260.257 1.955 10 5 CDBELO C[C@H](Nc1ncc(F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000601113050 342470632 /nfs/dbraw/zinc/47/06/32/342470632.db2.gz BJKMAWNEHTXVAM-UWVGGRQHSA-N 1 2 298.318 1.650 10 5 CDBELO Cc1noc(C[N@H+](C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595298849 343027977 /nfs/dbraw/zinc/02/79/77/343027977.db2.gz UGIDJICQRUANJC-SECBINFHSA-N 1 2 255.274 1.502 10 5 CDBELO Cc1noc(C[N@@H+](C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595298849 343027978 /nfs/dbraw/zinc/02/79/78/343027978.db2.gz UGIDJICQRUANJC-SECBINFHSA-N 1 2 255.274 1.502 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000295032871 199311529 /nfs/dbraw/zinc/31/15/29/199311529.db2.gz OCEMWPDNCJEBIZ-SNVBAGLBSA-N 1 2 263.297 1.224 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)N[C@H](C)C1 ZINC000295032871 199311531 /nfs/dbraw/zinc/31/15/31/199311531.db2.gz OCEMWPDNCJEBIZ-SNVBAGLBSA-N 1 2 263.297 1.224 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000293056866 362527825 /nfs/dbraw/zinc/52/78/25/362527825.db2.gz RZXGWELYNMENNN-VHSXEESVSA-N 1 2 293.323 1.882 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000293056866 362527828 /nfs/dbraw/zinc/52/78/28/362527828.db2.gz RZXGWELYNMENNN-VHSXEESVSA-N 1 2 293.323 1.882 10 5 CDBELO COC(=O)/C=C/c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073935305 349187125 /nfs/dbraw/zinc/18/71/25/349187125.db2.gz HYVIGGVMXPJALH-HWKANZROSA-N 1 2 273.248 1.967 10 5 CDBELO C[N@@H+]1CCC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000234321082 357686728 /nfs/dbraw/zinc/68/67/28/357686728.db2.gz NXZQCAHOUNEVAW-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000234321082 357686731 /nfs/dbraw/zinc/68/67/31/357686731.db2.gz NXZQCAHOUNEVAW-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO COc1cc(NC[C@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000599161269 358729652 /nfs/dbraw/zinc/72/96/52/358729652.db2.gz NJWFWAOXIFEKRR-NSHDSACASA-N 1 2 281.312 1.346 10 5 CDBELO COc1cc(NC[C@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000599161269 358729655 /nfs/dbraw/zinc/72/96/55/358729655.db2.gz NJWFWAOXIFEKRR-NSHDSACASA-N 1 2 281.312 1.346 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000339133925 359296771 /nfs/dbraw/zinc/29/67/71/359296771.db2.gz QTQVGPJNWKCRRV-CQSZACIVSA-N 1 2 278.308 1.647 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000339133925 359296772 /nfs/dbraw/zinc/29/67/72/359296772.db2.gz QTQVGPJNWKCRRV-CQSZACIVSA-N 1 2 278.308 1.647 10 5 CDBELO Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000292619897 239269733 /nfs/dbraw/zinc/26/97/33/239269733.db2.gz NJUWUUDCXNLGKO-SNVBAGLBSA-N 1 2 283.303 1.785 10 5 CDBELO Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000292619897 239269736 /nfs/dbraw/zinc/26/97/36/239269736.db2.gz NJUWUUDCXNLGKO-SNVBAGLBSA-N 1 2 283.303 1.785 10 5 CDBELO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449525282 374818083 /nfs/dbraw/zinc/81/80/83/374818083.db2.gz VALLMIMUMNSNMT-DGCLKSJQSA-N 1 2 266.297 1.958 10 5 CDBELO CC[N@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000352864843 375546913 /nfs/dbraw/zinc/54/69/13/375546913.db2.gz YAKZISBBYJVPJF-UHFFFAOYSA-N 1 2 295.339 1.761 10 5 CDBELO CC[N@@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000352864843 375546917 /nfs/dbraw/zinc/54/69/17/375546917.db2.gz YAKZISBBYJVPJF-UHFFFAOYSA-N 1 2 295.339 1.761 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000286086559 390192401 /nfs/dbraw/zinc/19/24/01/390192401.db2.gz DRBSKBVJCSSUFX-VIFPVBQESA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000286086559 390192402 /nfs/dbraw/zinc/19/24/02/390192402.db2.gz DRBSKBVJCSSUFX-VIFPVBQESA-N 1 2 269.276 1.476 10 5 CDBELO CC1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451207029 390604785 /nfs/dbraw/zinc/60/47/85/390604785.db2.gz INCMNKUEYPCYHA-UHFFFAOYSA-N 1 2 286.291 1.872 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000190077734 391141061 /nfs/dbraw/zinc/14/10/61/391141061.db2.gz AFKFVXUFJKQPCR-LLVKDONJSA-N 1 2 277.324 1.566 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000190077734 391141064 /nfs/dbraw/zinc/14/10/64/391141064.db2.gz AFKFVXUFJKQPCR-LLVKDONJSA-N 1 2 277.324 1.566 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000412074018 391111943 /nfs/dbraw/zinc/11/19/43/391111943.db2.gz MGPVRGFPRWWIKH-SMDDNHRTSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000412074018 391111947 /nfs/dbraw/zinc/11/19/47/391111947.db2.gz MGPVRGFPRWWIKH-SMDDNHRTSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@](O)(CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413259824 391186222 /nfs/dbraw/zinc/18/62/22/391186222.db2.gz DQOQRZLVMHMSDM-CYBMUJFWSA-N 1 2 277.280 1.298 10 5 CDBELO COc1cc(C[N@@H+]2CCSC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000343762166 152293919 /nfs/dbraw/zinc/29/39/19/152293919.db2.gz KTAKKHVTXOCXRP-LLVKDONJSA-N 1 2 298.364 1.513 10 5 CDBELO COc1cc(C[N@H+]2CCSC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000343762166 152293920 /nfs/dbraw/zinc/29/39/20/152293920.db2.gz KTAKKHVTXOCXRP-LLVKDONJSA-N 1 2 298.364 1.513 10 5 CDBELO CC(C)(C)Nc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040581941 174345184 /nfs/dbraw/zinc/34/51/84/174345184.db2.gz OUZHVAROZFWQLQ-UHFFFAOYSA-N 1 2 262.273 1.781 10 5 CDBELO O=C(NCCc1c[nH+]c[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000078723270 177375989 /nfs/dbraw/zinc/37/59/89/177375989.db2.gz CGOCNCGRLATPGF-UHFFFAOYSA-N 1 2 294.698 1.944 10 5 CDBELO O=C(NCCc1c[nH]c[nH+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000078723270 177375990 /nfs/dbraw/zinc/37/59/90/177375990.db2.gz CGOCNCGRLATPGF-UHFFFAOYSA-N 1 2 294.698 1.944 10 5 CDBELO CCC/C=C\CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001268301358 1159877514 /nfs/dbraw/zinc/87/75/14/1159877514.db2.gz VQPMMOVAAJISMI-DIABFLQPSA-N 1 2 281.356 1.198 10 5 CDBELO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CC2=CCCCC2)CC1 ZINC001687428565 1160738060 /nfs/dbraw/zinc/73/80/60/1160738060.db2.gz FVTJXLZRZTYLHM-ZIAGYGMSSA-N 1 2 293.367 1.296 10 5 CDBELO CCOC(=O)[C@H](CCOc1ccc([N+](=O)[O-])cc1)[NH2+]C ZINC000062541042 521248508 /nfs/dbraw/zinc/24/85/08/521248508.db2.gz BREHBROCHFWFBJ-LBPRGKRZSA-N 1 2 282.296 1.515 10 5 CDBELO C[NH2+][C@@H](CCOc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000062540604 522346990 /nfs/dbraw/zinc/34/69/90/522346990.db2.gz DSXHMHLAOOASFT-NSHDSACASA-N 1 2 282.296 1.433 10 5 CDBELO CNc1[nH+]cccc1Cn1cccc([N+](=O)[O-])c1=O ZINC000052733669 522711231 /nfs/dbraw/zinc/71/12/31/522711231.db2.gz WVKFULUTRJEDKC-UHFFFAOYSA-N 1 2 260.253 1.242 10 5 CDBELO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814301 523695478 /nfs/dbraw/zinc/69/54/78/523695478.db2.gz WUQVGAGLJWQTGE-NSHDSACASA-N 1 2 279.296 1.314 10 5 CDBELO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814301 523695487 /nfs/dbraw/zinc/69/54/87/523695487.db2.gz WUQVGAGLJWQTGE-NSHDSACASA-N 1 2 279.296 1.314 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163895602 526713399 /nfs/dbraw/zinc/71/33/99/526713399.db2.gz PULHSZKUUIUZCD-PHIMTYICSA-N 1 2 291.307 1.267 10 5 CDBELO Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001629193509 1166121287 /nfs/dbraw/zinc/12/12/87/1166121287.db2.gz HVAADMMQVOFOEW-RKDXNWHRSA-N 1 2 287.279 1.642 10 5 CDBELO Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC001629193509 1166121291 /nfs/dbraw/zinc/12/12/91/1166121291.db2.gz HVAADMMQVOFOEW-RKDXNWHRSA-N 1 2 287.279 1.642 10 5 CDBELO Cc1[nH]c(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[nH+]c1C ZINC001629649726 1166154521 /nfs/dbraw/zinc/15/45/21/1166154521.db2.gz RLFPNGADBLUZEB-UHFFFAOYSA-N 1 2 298.690 1.241 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)cs1 ZINC001654629452 1171626942 /nfs/dbraw/zinc/62/69/42/1171626942.db2.gz FPRVZUHSWOTTQY-QMMMGPOBSA-N 1 2 280.313 1.159 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3nn[nH]n3)C2)cs1 ZINC001654629452 1171626944 /nfs/dbraw/zinc/62/69/44/1171626944.db2.gz FPRVZUHSWOTTQY-QMMMGPOBSA-N 1 2 280.313 1.159 10 5 CDBELO Cn1c[nH+]cc1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001141767227 936937246 /nfs/dbraw/zinc/93/72/46/936937246.db2.gz BOGGEZAEGLSIFW-UHFFFAOYSA-N 1 2 275.268 1.092 10 5 CDBELO Cc1sc(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928567815 933162382 /nfs/dbraw/zinc/16/23/82/933162382.db2.gz CHNURNARWKQEHA-QMMMGPOBSA-N 1 2 269.326 1.399 10 5 CDBELO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928567815 933162386 /nfs/dbraw/zinc/16/23/86/933162386.db2.gz CHNURNARWKQEHA-QMMMGPOBSA-N 1 2 269.326 1.399 10 5 CDBELO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000802240153 936033913 /nfs/dbraw/zinc/03/39/13/936033913.db2.gz PSKCEZSLNDHCGO-GFCCVEGCSA-N 1 2 282.271 1.795 10 5 CDBELO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000802240153 936033915 /nfs/dbraw/zinc/03/39/15/936033915.db2.gz PSKCEZSLNDHCGO-GFCCVEGCSA-N 1 2 282.271 1.795 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593097102 342765758 /nfs/dbraw/zinc/76/57/58/342765758.db2.gz CAGADRHRJZSQKB-PZROIBLQSA-N 1 2 266.322 1.300 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593097102 342765759 /nfs/dbraw/zinc/76/57/59/342765759.db2.gz CAGADRHRJZSQKB-PZROIBLQSA-N 1 2 266.322 1.300 10 5 CDBELO COc1c(C)[nH+]cnc1NCCc1cccc([N+](=O)[O-])c1 ZINC000594569867 342919634 /nfs/dbraw/zinc/91/96/34/342919634.db2.gz FXUOVMBVNJVMBQ-UHFFFAOYSA-N 1 2 288.307 1.778 10 5 CDBELO Cc1noc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000595496433 343077414 /nfs/dbraw/zinc/07/74/14/343077414.db2.gz CBGKPDBZMAQNMW-JTQLQIEISA-N 1 2 269.301 1.891 10 5 CDBELO Cc1noc(C[N@H+](C(C)C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000595496433 343077416 /nfs/dbraw/zinc/07/74/16/343077416.db2.gz CBGKPDBZMAQNMW-JTQLQIEISA-N 1 2 269.301 1.891 10 5 CDBELO Cn1cc[nH+]c1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248886 282246863 /nfs/dbraw/zinc/24/68/63/282246863.db2.gz YEXYDUPSKYEFSJ-UHFFFAOYSA-N 1 2 272.308 1.887 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([N+](=O)[O-])C2)cc1 ZINC000016083170 365758443 /nfs/dbraw/zinc/75/84/43/365758443.db2.gz FGYNZSNZHVWHDL-LLVKDONJSA-N 1 2 251.242 1.446 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]([N+](=O)[O-])C2)cc1 ZINC000016083170 365758448 /nfs/dbraw/zinc/75/84/48/365758448.db2.gz FGYNZSNZHVWHDL-LLVKDONJSA-N 1 2 251.242 1.446 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000293056860 362528552 /nfs/dbraw/zinc/52/85/52/362528552.db2.gz RZXGWELYNMENNN-UWVGGRQHSA-N 1 2 293.323 1.882 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000293056860 362528557 /nfs/dbraw/zinc/52/85/57/362528557.db2.gz RZXGWELYNMENNN-UWVGGRQHSA-N 1 2 293.323 1.882 10 5 CDBELO C[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000262003875 357352429 /nfs/dbraw/zinc/35/24/29/357352429.db2.gz BFSXKLHUMUKCQT-UHFFFAOYSA-N 1 2 279.296 1.124 10 5 CDBELO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408111408 358155924 /nfs/dbraw/zinc/15/59/24/358155924.db2.gz BBTBXOPNDVBUNS-MRVPVSSYSA-N 1 2 269.326 1.432 10 5 CDBELO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408111408 358155927 /nfs/dbraw/zinc/15/59/27/358155927.db2.gz BBTBXOPNDVBUNS-MRVPVSSYSA-N 1 2 269.326 1.432 10 5 CDBELO COC(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066696182 374353161 /nfs/dbraw/zinc/35/31/61/374353161.db2.gz KNEFCTPVPMSHOV-VIFPVBQESA-N 1 2 252.270 1.761 10 5 CDBELO COC(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066696182 374353165 /nfs/dbraw/zinc/35/31/65/374353165.db2.gz KNEFCTPVPMSHOV-VIFPVBQESA-N 1 2 252.270 1.761 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)cs1 ZINC000449467782 374812930 /nfs/dbraw/zinc/81/29/30/374812930.db2.gz JUHNRUZCNGSUEY-SNVBAGLBSA-N 1 2 278.280 1.858 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cs1 ZINC000449467782 374812935 /nfs/dbraw/zinc/81/29/35/374812935.db2.gz JUHNRUZCNGSUEY-SNVBAGLBSA-N 1 2 278.280 1.858 10 5 CDBELO O=[N+]([O-])c1ccccc1C[NH+]1CCN(CC(F)F)CC1 ZINC000057919713 375603626 /nfs/dbraw/zinc/60/36/26/375603626.db2.gz JRQTVIDZSBRKHH-UHFFFAOYSA-N 1 2 285.294 1.978 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189080939 391079049 /nfs/dbraw/zinc/07/90/49/391079049.db2.gz ILSCGZNJEJRZOG-RPTYSRGTSA-N 1 2 289.335 1.818 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189080939 391079053 /nfs/dbraw/zinc/07/90/53/391079053.db2.gz ILSCGZNJEJRZOG-RPTYSRGTSA-N 1 2 289.335 1.818 10 5 CDBELO C[C@@H]1C[C@@H](C)[NH+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548754902 392509362 /nfs/dbraw/zinc/50/93/62/392509362.db2.gz XCXIPCGHRHJTEQ-GHMZBOCLSA-N 1 2 298.364 1.851 10 5 CDBELO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000422038789 392950211 /nfs/dbraw/zinc/95/02/11/392950211.db2.gz QPZMJGZRNFQUON-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195010240 393039153 /nfs/dbraw/zinc/03/91/53/393039153.db2.gz FHGYVIKYGKVIEB-HNNXBMFYSA-N 1 2 292.335 1.895 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195010240 393039155 /nfs/dbraw/zinc/03/91/55/393039155.db2.gz FHGYVIKYGKVIEB-HNNXBMFYSA-N 1 2 292.335 1.895 10 5 CDBELO CC[NH+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000233470416 140226867 /nfs/dbraw/zinc/22/68/67/140226867.db2.gz VYTUADQBBWMIPB-UHFFFAOYSA-N 1 2 279.296 1.078 10 5 CDBELO C[C@H]1CCC[N@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037332556 173133849 /nfs/dbraw/zinc/13/38/49/173133849.db2.gz LZTDSKWNEPTZGN-VIFPVBQESA-N 1 2 251.286 1.838 10 5 CDBELO C[C@H]1CCC[N@@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037332556 173133852 /nfs/dbraw/zinc/13/38/52/173133852.db2.gz LZTDSKWNEPTZGN-VIFPVBQESA-N 1 2 251.286 1.838 10 5 CDBELO C[C@H](O)[C@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731970 175240924 /nfs/dbraw/zinc/24/09/24/175240924.db2.gz LQONXJMZDMVIFE-RCOVLWMOSA-N 1 2 264.241 1.025 10 5 CDBELO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235458344 280127164 /nfs/dbraw/zinc/12/71/64/280127164.db2.gz QQTRYGVXRZBDHF-SECBINFHSA-N 1 2 279.296 1.077 10 5 CDBELO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235458344 280127166 /nfs/dbraw/zinc/12/71/66/280127166.db2.gz QQTRYGVXRZBDHF-SECBINFHSA-N 1 2 279.296 1.077 10 5 CDBELO CCON(C)C(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000846062635 782101291 /nfs/dbraw/zinc/10/12/91/782101291.db2.gz JYOLGQCZLIAYRB-UHFFFAOYSA-N 1 2 273.314 1.156 10 5 CDBELO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050814853 521127690 /nfs/dbraw/zinc/12/76/90/521127690.db2.gz FBFXSRZGIQCLFA-ZDUSSCGKSA-N 1 2 293.323 1.705 10 5 CDBELO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050814853 521127697 /nfs/dbraw/zinc/12/76/97/521127697.db2.gz FBFXSRZGIQCLFA-ZDUSSCGKSA-N 1 2 293.323 1.705 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000268689845 534794669 /nfs/dbraw/zinc/79/46/69/534794669.db2.gz OSIIAEHUHBGTSD-LLVKDONJSA-N 1 2 291.351 1.956 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000268689845 534794672 /nfs/dbraw/zinc/79/46/72/534794672.db2.gz OSIIAEHUHBGTSD-LLVKDONJSA-N 1 2 291.351 1.956 10 5 CDBELO NNc1[nH+]c(Cn2cc([N+](=O)[O-])cn2)nc2sccc21 ZINC000051147511 527285476 /nfs/dbraw/zinc/28/54/76/527285476.db2.gz KOUGKOUAPJGTTQ-UHFFFAOYSA-N 1 2 291.296 1.130 10 5 CDBELO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC001637135380 1166728745 /nfs/dbraw/zinc/72/87/45/1166728745.db2.gz ZRLCZMYGLGFUDX-UHFFFAOYSA-N 1 2 290.254 1.586 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000840082996 936936993 /nfs/dbraw/zinc/93/69/93/936936993.db2.gz JPQYIQWSPNQWAS-LBPRGKRZSA-N 1 2 290.323 1.931 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000840082996 936936995 /nfs/dbraw/zinc/93/69/95/936936995.db2.gz JPQYIQWSPNQWAS-LBPRGKRZSA-N 1 2 290.323 1.931 10 5 CDBELO Cc1nn(C[N@@H+]2CCC3(COC3)C2)c(C)c1[N+](=O)[O-] ZINC000853595527 928053377 /nfs/dbraw/zinc/05/33/77/928053377.db2.gz RAUCVEQEDMFJJU-UHFFFAOYSA-N 1 2 266.301 1.088 10 5 CDBELO Cc1nn(C[N@H+]2CCC3(COC3)C2)c(C)c1[N+](=O)[O-] ZINC000853595527 928053389 /nfs/dbraw/zinc/05/33/89/928053389.db2.gz RAUCVEQEDMFJJU-UHFFFAOYSA-N 1 2 266.301 1.088 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799159334 937380281 /nfs/dbraw/zinc/38/02/81/937380281.db2.gz GDTTZOFRWJNYKA-NSHDSACASA-N 1 2 273.296 1.633 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799159334 937380282 /nfs/dbraw/zinc/38/02/82/937380282.db2.gz GDTTZOFRWJNYKA-NSHDSACASA-N 1 2 273.296 1.633 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001460733547 969537450 /nfs/dbraw/zinc/53/74/50/969537450.db2.gz IGPDQGTZACFPPR-UHFFFAOYSA-N 1 2 292.270 1.440 10 5 CDBELO CCN(CC)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153098088 342143839 /nfs/dbraw/zinc/14/38/39/342143839.db2.gz SLMBKWJYLDRPDD-UHFFFAOYSA-N 1 2 291.351 1.821 10 5 CDBELO CCN(CC)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153098088 342143840 /nfs/dbraw/zinc/14/38/40/342143840.db2.gz SLMBKWJYLDRPDD-UHFFFAOYSA-N 1 2 291.351 1.821 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593922081 342851949 /nfs/dbraw/zinc/85/19/49/342851949.db2.gz AKYSPALMJPNKJN-MNOVXSKESA-N 1 2 291.307 1.770 10 5 CDBELO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000594403256 342900462 /nfs/dbraw/zinc/90/04/62/342900462.db2.gz OMRCTKKBPHREEF-AOOOYVTPSA-N 1 2 293.323 1.370 10 5 CDBELO Cn1c[nH+]cc1Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000545139484 362138921 /nfs/dbraw/zinc/13/89/21/362138921.db2.gz TUFXJLXXSVNOIK-UHFFFAOYSA-N 1 2 286.251 1.364 10 5 CDBELO COC(OC)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[N+](=O)[O-] ZINC000221573557 342446955 /nfs/dbraw/zinc/44/69/55/342446955.db2.gz ZLDQPHQBJSXYNN-OLZOCXBDSA-N 1 2 280.324 1.383 10 5 CDBELO COC(OC)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[N+](=O)[O-] ZINC000221573557 342446956 /nfs/dbraw/zinc/44/69/56/342446956.db2.gz ZLDQPHQBJSXYNN-OLZOCXBDSA-N 1 2 280.324 1.383 10 5 CDBELO COC(OC)[C@@H]1C[N@H+](Cc2ccccc2)CC1[N+](=O)[O-] ZINC000221573557 342446957 /nfs/dbraw/zinc/44/69/57/342446957.db2.gz ZLDQPHQBJSXYNN-OLZOCXBDSA-N 1 2 280.324 1.383 10 5 CDBELO COC(OC)[C@@H]1C[N@@H+](Cc2ccccc2)CC1[N+](=O)[O-] ZINC000221573557 342446958 /nfs/dbraw/zinc/44/69/58/342446958.db2.gz ZLDQPHQBJSXYNN-OLZOCXBDSA-N 1 2 280.324 1.383 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000598945366 343925390 /nfs/dbraw/zinc/92/53/90/343925390.db2.gz ZXFIDAYBSAVQDV-JTQLQIEISA-N 1 2 286.291 1.454 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000609624897 345981676 /nfs/dbraw/zinc/98/16/76/345981676.db2.gz WRIMXXZNHAFHTB-UHFFFAOYSA-N 1 2 287.279 1.192 10 5 CDBELO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181911064 357390032 /nfs/dbraw/zinc/39/00/32/357390032.db2.gz PFMSMNHPDODLFY-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181911064 357390035 /nfs/dbraw/zinc/39/00/35/357390035.db2.gz PFMSMNHPDODLFY-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO C[N@H+](CC(=O)NC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000026883228 359469791 /nfs/dbraw/zinc/46/97/91/359469791.db2.gz RQCZDKFWVVWVSN-UHFFFAOYSA-N 1 2 279.340 1.941 10 5 CDBELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000026883228 359469795 /nfs/dbraw/zinc/46/97/95/359469795.db2.gz RQCZDKFWVVWVSN-UHFFFAOYSA-N 1 2 279.340 1.941 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000571702658 359603605 /nfs/dbraw/zinc/60/36/05/359603605.db2.gz PQMWGWYAGATAPT-TXEJJXNPSA-N 1 2 295.339 1.174 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000571702658 359603610 /nfs/dbraw/zinc/60/36/10/359603610.db2.gz PQMWGWYAGATAPT-TXEJJXNPSA-N 1 2 295.339 1.174 10 5 CDBELO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000566194249 316510413 /nfs/dbraw/zinc/51/04/13/316510413.db2.gz ZFFOVKKBKYNODI-NKWVEPMBSA-N 1 2 253.258 1.222 10 5 CDBELO Cc1nn(C)c(SC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000573114636 365179679 /nfs/dbraw/zinc/17/96/79/365179679.db2.gz BDYMVIQEYSAWBJ-VIFPVBQESA-N 1 2 286.357 1.059 10 5 CDBELO Cc1nn(C)c(SC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000573114636 365179684 /nfs/dbraw/zinc/17/96/84/365179684.db2.gz BDYMVIQEYSAWBJ-VIFPVBQESA-N 1 2 286.357 1.059 10 5 CDBELO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000302476912 375205847 /nfs/dbraw/zinc/20/58/47/375205847.db2.gz WWILOAIAEGYLBG-JTQLQIEISA-N 1 2 299.758 1.751 10 5 CDBELO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000302476912 375205853 /nfs/dbraw/zinc/20/58/53/375205853.db2.gz WWILOAIAEGYLBG-JTQLQIEISA-N 1 2 299.758 1.751 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457856322 391648545 /nfs/dbraw/zinc/64/85/45/391648545.db2.gz LVXFYOMBEZYOHQ-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO Cc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000457883532 391657021 /nfs/dbraw/zinc/65/70/21/391657021.db2.gz OJFWICQGCBHRKT-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425359426 393020867 /nfs/dbraw/zinc/02/08/67/393020867.db2.gz SJGKDJCNSDSINP-SECBINFHSA-N 1 2 289.295 1.408 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425359426 393020871 /nfs/dbraw/zinc/02/08/71/393020871.db2.gz SJGKDJCNSDSINP-SECBINFHSA-N 1 2 289.295 1.408 10 5 CDBELO C[N@@H+]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000281248979 393156166 /nfs/dbraw/zinc/15/61/66/393156166.db2.gz UJAIUYAHDFWAHX-UHFFFAOYSA-N 1 2 279.296 1.078 10 5 CDBELO C[N@H+]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000281248979 393156172 /nfs/dbraw/zinc/15/61/72/393156172.db2.gz UJAIUYAHDFWAHX-UHFFFAOYSA-N 1 2 279.296 1.078 10 5 CDBELO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093343984 147048940 /nfs/dbraw/zinc/04/89/40/147048940.db2.gz VMPRZSWUXCOXPI-GWCFXTLKSA-N 1 2 293.323 1.236 10 5 CDBELO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093343984 147048942 /nfs/dbraw/zinc/04/89/42/147048942.db2.gz VMPRZSWUXCOXPI-GWCFXTLKSA-N 1 2 293.323 1.236 10 5 CDBELO C[C@@H](O)[C@@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731973 175241039 /nfs/dbraw/zinc/24/10/39/175241039.db2.gz LQONXJMZDMVIFE-HZGVNTEJSA-N 1 2 264.241 1.025 10 5 CDBELO CCn1c(C)nc([N+](=O)[O-])c1NCCc1cn(C)c[nH+]1 ZINC000313463485 260296467 /nfs/dbraw/zinc/29/64/67/260296467.db2.gz SODLVHLKPTXRLS-UHFFFAOYSA-N 1 2 278.316 1.508 10 5 CDBELO Cn1c[nH+]c(CCNc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000313474141 260297629 /nfs/dbraw/zinc/29/76/29/260297629.db2.gz QPJVHBSMJYTNRI-UHFFFAOYSA-N 1 2 292.324 1.692 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000250139101 270305575 /nfs/dbraw/zinc/30/55/75/270305575.db2.gz YPPWUMIYJOBBKJ-ZDUSSCGKSA-N 1 2 293.367 1.402 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000250139101 270305577 /nfs/dbraw/zinc/30/55/77/270305577.db2.gz YPPWUMIYJOBBKJ-ZDUSSCGKSA-N 1 2 293.367 1.402 10 5 CDBELO CC1(C)COC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449625086 278355641 /nfs/dbraw/zinc/35/56/41/278355641.db2.gz QWQGRXPAHBPOKD-LBPRGKRZSA-N 1 2 266.297 1.815 10 5 CDBELO Cc1c[nH+]c(C)nc1NCCNc1ccccc1[N+](=O)[O-] ZINC000584261994 327203718 /nfs/dbraw/zinc/20/37/18/327203718.db2.gz FJMJBRXQDLNKLR-UHFFFAOYSA-N 1 2 287.323 1.948 10 5 CDBELO CC[C@@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050814162 523498379 /nfs/dbraw/zinc/49/83/79/523498379.db2.gz BHXGOCGMHCOLTM-LLVKDONJSA-N 1 2 265.313 1.788 10 5 CDBELO CC[C@@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050814162 523498389 /nfs/dbraw/zinc/49/83/89/523498389.db2.gz BHXGOCGMHCOLTM-LLVKDONJSA-N 1 2 265.313 1.788 10 5 CDBELO Cc1ccc(NC(=O)c2cccc(NN)[nH+]2)cc1[N+](=O)[O-] ZINC000051092459 525245010 /nfs/dbraw/zinc/24/50/10/525245010.db2.gz KDHOFQVWLATHGD-UHFFFAOYSA-N 1 2 287.279 1.836 10 5 CDBELO O=[N+]([O-])c1cnccc1NCc1cccnc1-n1cc[nH+]c1 ZINC000727431586 574583512 /nfs/dbraw/zinc/58/35/12/574583512.db2.gz STDZRJFFLJVWCF-UHFFFAOYSA-N 1 2 296.290 1.605 10 5 CDBELO O=[N+]([O-])c1ccnn1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000152768957 630664395 /nfs/dbraw/zinc/66/43/95/630664395.db2.gz FWFVIJPJDPZLEP-UHFFFAOYSA-N 1 2 290.327 1.358 10 5 CDBELO COc1nccnc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787857 1164692928 /nfs/dbraw/zinc/69/29/28/1164692928.db2.gz UIVPYUUNHDCZSC-UHFFFAOYSA-N 1 2 288.307 1.992 10 5 CDBELO CCc1[nH]c(CNc2nn(C)cc2[N+](=O)[O-])c[nH+]1 ZINC001612983911 1165527499 /nfs/dbraw/zinc/52/74/99/1165527499.db2.gz OTQHBIMIWXOUJT-UHFFFAOYSA-N 1 2 250.262 1.226 10 5 CDBELO CCc1[nH]cc(CNc2nn(C)cc2[N+](=O)[O-])[nH+]1 ZINC001612983911 1165527506 /nfs/dbraw/zinc/52/75/06/1165527506.db2.gz OTQHBIMIWXOUJT-UHFFFAOYSA-N 1 2 250.262 1.226 10 5 CDBELO CC(C)(NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001628641074 1166084923 /nfs/dbraw/zinc/08/49/23/1166084923.db2.gz AHGPZHXGFLLWDG-UHFFFAOYSA-N 1 2 288.307 1.912 10 5 CDBELO Cc1cc(C)c(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c[nH+]1 ZINC001629923343 1166173542 /nfs/dbraw/zinc/17/35/42/1166173542.db2.gz HDTDCXBBIJSERX-UHFFFAOYSA-N 1 2 275.268 1.260 10 5 CDBELO CCNc1ccc(Nc2ccncc2[N+](=O)[O-])c[nH+]1 ZINC001640543882 1167033894 /nfs/dbraw/zinc/03/38/94/1167033894.db2.gz WLMVZJWZHUSOKN-UHFFFAOYSA-N 1 2 259.269 1.982 10 5 CDBELO C[C@@H]([NH2+]Cc1cnnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071561 787666907 /nfs/dbraw/zinc/66/69/07/787666907.db2.gz RGUSDVQCRLNAFJ-MRVPVSSYSA-N 1 2 279.275 1.713 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001643713622 1167265472 /nfs/dbraw/zinc/26/54/72/1167265472.db2.gz CMYDAYRNJPUCRR-UHFFFAOYSA-N 1 2 296.233 1.455 10 5 CDBELO Cc1nc(NCC(C)(C)n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC001331964787 957369844 /nfs/dbraw/zinc/36/98/44/957369844.db2.gz DWIQTTUZQMHAGK-UHFFFAOYSA-N 1 2 276.300 1.737 10 5 CDBELO CCc1[nH]c(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001456142837 968871018 /nfs/dbraw/zinc/87/10/18/968871018.db2.gz OENUCDSCPQJDFL-UHFFFAOYSA-N 1 2 288.307 1.739 10 5 CDBELO CCc1[nH]cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001456142837 968871030 /nfs/dbraw/zinc/87/10/30/968871030.db2.gz OENUCDSCPQJDFL-UHFFFAOYSA-N 1 2 288.307 1.739 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001466411818 969951785 /nfs/dbraw/zinc/95/17/85/969951785.db2.gz MCGAIEYCRAYSOD-LBPRGKRZSA-N 1 2 289.335 1.887 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001466411818 969951791 /nfs/dbraw/zinc/95/17/91/969951791.db2.gz MCGAIEYCRAYSOD-LBPRGKRZSA-N 1 2 289.335 1.887 10 5 CDBELO COCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595481018 343065003 /nfs/dbraw/zinc/06/50/03/343065003.db2.gz MWVWFEAMWLHHHS-ZDUSSCGKSA-N 1 2 298.314 1.971 10 5 CDBELO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595481018 343065006 /nfs/dbraw/zinc/06/50/06/343065006.db2.gz MWVWFEAMWLHHHS-ZDUSSCGKSA-N 1 2 298.314 1.971 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000302825475 362364882 /nfs/dbraw/zinc/36/48/82/362364882.db2.gz YXAFSUSZVXFLIV-LLVKDONJSA-N 1 2 280.303 1.146 10 5 CDBELO CC[C@@H]([NH2+]Cc1nc(=O)[nH][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000271833718 191356401 /nfs/dbraw/zinc/35/64/01/191356401.db2.gz XPBDRFQRFUZNGF-SNVBAGLBSA-N 1 2 277.284 1.247 10 5 CDBELO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000408076437 357814134 /nfs/dbraw/zinc/81/41/34/357814134.db2.gz IYNFNTMRIMHCLR-UWVGGRQHSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000408076437 357814138 /nfs/dbraw/zinc/81/41/38/357814138.db2.gz IYNFNTMRIMHCLR-UWVGGRQHSA-N 1 2 293.323 1.465 10 5 CDBELO O=[N+]([O-])c1cnccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000338057630 358734521 /nfs/dbraw/zinc/73/45/21/358734521.db2.gz ULXIANWERWWZTI-LLVKDONJSA-N 1 2 285.307 1.498 10 5 CDBELO CCOC(=O)CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347781186 359637596 /nfs/dbraw/zinc/63/75/96/359637596.db2.gz GXSQZJKKVHUBFH-UHFFFAOYSA-N 1 2 293.323 1.691 10 5 CDBELO CCOC(=O)CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347781186 359637598 /nfs/dbraw/zinc/63/75/98/359637598.db2.gz GXSQZJKKVHUBFH-UHFFFAOYSA-N 1 2 293.323 1.691 10 5 CDBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cn1 ZINC000371360575 374416068 /nfs/dbraw/zinc/41/60/68/374416068.db2.gz OWRDWZWYAMXPOP-QMMMGPOBSA-N 1 2 287.279 1.000 10 5 CDBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cn1 ZINC000371360575 374416075 /nfs/dbraw/zinc/41/60/75/374416075.db2.gz OWRDWZWYAMXPOP-QMMMGPOBSA-N 1 2 287.279 1.000 10 5 CDBELO C[C@H](CC[NH+](C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235425354 140235154 /nfs/dbraw/zinc/23/51/54/140235154.db2.gz SRRKUNVLXHDCAG-SECBINFHSA-N 1 2 281.312 1.370 10 5 CDBELO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000343401261 152157352 /nfs/dbraw/zinc/15/73/52/152157352.db2.gz KHADVEFGYKJSKI-UHFFFAOYSA-N 1 2 290.283 1.061 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000349972853 154292899 /nfs/dbraw/zinc/29/28/99/154292899.db2.gz UDYVGSPDSUGGGG-SMDDNHRTSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000349972853 154292904 /nfs/dbraw/zinc/29/29/04/154292904.db2.gz UDYVGSPDSUGGGG-SMDDNHRTSA-N 1 2 280.324 1.485 10 5 CDBELO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000362062584 159054644 /nfs/dbraw/zinc/05/46/44/159054644.db2.gz DZGOGBCFWWBZNK-UGZDLDLSSA-N 1 2 286.353 1.499 10 5 CDBELO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000362062584 159054646 /nfs/dbraw/zinc/05/46/46/159054646.db2.gz DZGOGBCFWWBZNK-UGZDLDLSSA-N 1 2 286.353 1.499 10 5 CDBELO O=[N+]([O-])c1ccc(OCCn2cc[nH+]c2)c(CO)c1 ZINC000035414966 172189243 /nfs/dbraw/zinc/18/92/43/172189243.db2.gz VPWWCOZZIGHLHZ-UHFFFAOYSA-N 1 2 263.253 1.363 10 5 CDBELO Cc1nc(N)c(CNC(=O)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000556842079 290307921 /nfs/dbraw/zinc/30/79/21/290307921.db2.gz NOIRFHDNCRUHRG-UHFFFAOYSA-N 1 2 287.279 1.036 10 5 CDBELO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000564471459 293363983 /nfs/dbraw/zinc/36/39/83/293363983.db2.gz DVNFMHDKDQIZNV-KLPPZKSPSA-N 1 2 266.297 1.910 10 5 CDBELO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000564471459 293363984 /nfs/dbraw/zinc/36/39/84/293363984.db2.gz DVNFMHDKDQIZNV-KLPPZKSPSA-N 1 2 266.297 1.910 10 5 CDBELO CCNC(=O)C[N@H+](C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816405 521736145 /nfs/dbraw/zinc/73/61/45/521736145.db2.gz ACYPMVWYKBXJIP-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO CCNC(=O)C[N@@H+](C)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816405 521736146 /nfs/dbraw/zinc/73/61/46/521736146.db2.gz ACYPMVWYKBXJIP-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000050812511 520330325 /nfs/dbraw/zinc/33/03/25/520330325.db2.gz FSNLVIREKCDUJI-ZDUSSCGKSA-N 1 2 292.339 1.476 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000050812511 520330332 /nfs/dbraw/zinc/33/03/32/520330332.db2.gz FSNLVIREKCDUJI-ZDUSSCGKSA-N 1 2 292.339 1.476 10 5 CDBELO CCOC(=O)[C@@H](CCOc1cc([N+](=O)[O-])ccc1C)[NH2+]C ZINC000062540599 521060757 /nfs/dbraw/zinc/06/07/57/521060757.db2.gz FEQDQTONTSNBOB-GFCCVEGCSA-N 1 2 296.323 1.823 10 5 CDBELO CNc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000050813617 522609657 /nfs/dbraw/zinc/60/96/57/522609657.db2.gz JFBRUGRLQNHMGO-SNVBAGLBSA-N 1 2 265.313 1.857 10 5 CDBELO CNc1ccc(C[N@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000050813617 522609664 /nfs/dbraw/zinc/60/96/64/522609664.db2.gz JFBRUGRLQNHMGO-SNVBAGLBSA-N 1 2 265.313 1.857 10 5 CDBELO O=[N+]([O-])c1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)ccc1O ZINC000725269281 538460505 /nfs/dbraw/zinc/46/05/05/538460505.db2.gz JEVDKURMTOTNHP-RYUDHWBXSA-N 1 2 278.308 1.815 10 5 CDBELO Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001623660227 1165782582 /nfs/dbraw/zinc/78/25/82/1165782582.db2.gz AJURBGGJMJXZMP-UHFFFAOYSA-N 1 2 260.253 1.808 10 5 CDBELO Cn1cc[nH+]c1CCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001629193820 1166121712 /nfs/dbraw/zinc/12/17/12/1166121712.db2.gz RZTGKPKZLIIFRS-UHFFFAOYSA-N 1 2 289.295 1.482 10 5 CDBELO O=c1c(F)cc([N+](=O)[O-])cn1Cc1[nH+]ccn1C(F)F ZINC001644029643 1167290286 /nfs/dbraw/zinc/29/02/86/1167290286.db2.gz RYZHKHOSOLYCJJ-UHFFFAOYSA-N 1 2 288.185 1.536 10 5 CDBELO Cc1[nH+]c[nH]c1CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001587238029 1172977575 /nfs/dbraw/zinc/97/75/75/1172977575.db2.gz GMCXDWOBPLPYSC-UHFFFAOYSA-N 1 2 286.291 1.711 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)OCc2cc[nH+]c(N)c2)n1 ZINC000792184082 790854994 /nfs/dbraw/zinc/85/49/94/790854994.db2.gz HTVVNDOHBYRQGS-UHFFFAOYSA-N 1 2 291.267 1.145 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313627274 790976044 /nfs/dbraw/zinc/97/60/44/790976044.db2.gz MUTQOJVNROWKON-ZDUSSCGKSA-N 1 2 284.287 1.053 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313627274 790976060 /nfs/dbraw/zinc/97/60/60/790976060.db2.gz MUTQOJVNROWKON-ZDUSSCGKSA-N 1 2 284.287 1.053 10 5 CDBELO Cc1cn[nH]c1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175322388 913540499 /nfs/dbraw/zinc/54/04/99/913540499.db2.gz CNDJSFYPKFMXOX-AWEZNQCLSA-N 1 2 290.323 1.624 10 5 CDBELO Cc1c[nH]nc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175322388 913540509 /nfs/dbraw/zinc/54/05/09/913540509.db2.gz CNDJSFYPKFMXOX-AWEZNQCLSA-N 1 2 290.323 1.624 10 5 CDBELO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001557986436 965220780 /nfs/dbraw/zinc/22/07/80/965220780.db2.gz CUHQCTYSNQJPRY-UHFFFAOYSA-N 1 2 288.307 1.794 10 5 CDBELO C[C@@H](Nc1ncc(F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000601113052 342470693 /nfs/dbraw/zinc/47/06/93/342470693.db2.gz BJKMAWNEHTXVAM-ZJUUUORDSA-N 1 2 298.318 1.650 10 5 CDBELO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588070202 342492091 /nfs/dbraw/zinc/49/20/91/342492091.db2.gz OLQFRIKXJQDQKE-RYUDHWBXSA-N 1 2 292.339 1.289 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590378609 342541095 /nfs/dbraw/zinc/54/10/95/342541095.db2.gz KORDLRKBRAAXSY-UHFFFAOYSA-N 1 2 287.279 1.220 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590378609 342541096 /nfs/dbraw/zinc/54/10/96/342541096.db2.gz KORDLRKBRAAXSY-UHFFFAOYSA-N 1 2 287.279 1.220 10 5 CDBELO COc1c(C)[nH+]cnc1NCCc1ccccc1[N+](=O)[O-] ZINC000594554071 342916936 /nfs/dbraw/zinc/91/69/36/342916936.db2.gz JBTNZQCYIGVUIV-UHFFFAOYSA-N 1 2 288.307 1.778 10 5 CDBELO C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ncnn21 ZINC000594958202 342983925 /nfs/dbraw/zinc/98/39/25/342983925.db2.gz ZHXBQLXBVGYXAM-SKDRFNHKSA-N 1 2 273.296 1.982 10 5 CDBELO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595855964 343164933 /nfs/dbraw/zinc/16/49/33/343164933.db2.gz IOHKLLCKNVQSJT-JGZJWPJOSA-N 1 2 294.307 1.684 10 5 CDBELO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595855964 343164934 /nfs/dbraw/zinc/16/49/34/343164934.db2.gz IOHKLLCKNVQSJT-JGZJWPJOSA-N 1 2 294.307 1.684 10 5 CDBELO COC[C@H](O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599063566 343947453 /nfs/dbraw/zinc/94/74/53/343947453.db2.gz CWLRDFZWUAODIM-LLVKDONJSA-N 1 2 291.307 1.952 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1NCC[NH+]1CCOCC1 ZINC000052119311 363253724 /nfs/dbraw/zinc/25/37/24/363253724.db2.gz OFRMHRHHNQXGMD-UHFFFAOYSA-N 1 2 269.276 1.478 10 5 CDBELO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000336835007 356291485 /nfs/dbraw/zinc/29/14/85/356291485.db2.gz SXXDLJXQWCJERT-VIFPVBQESA-N 1 2 281.312 1.228 10 5 CDBELO CCOc1cccc(NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000134925664 356657682 /nfs/dbraw/zinc/65/76/82/356657682.db2.gz DOKPWSVBGCERPW-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO CCOc1cccc(NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000134925664 356657686 /nfs/dbraw/zinc/65/76/86/356657686.db2.gz DOKPWSVBGCERPW-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000119291058 357358431 /nfs/dbraw/zinc/35/84/31/357358431.db2.gz KSNAHWVXHCZAAC-UHFFFAOYSA-N 1 2 292.299 1.100 10 5 CDBELO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263077886 358954662 /nfs/dbraw/zinc/95/46/62/358954662.db2.gz XEZHPMMMQGNHQJ-VIFPVBQESA-N 1 2 285.250 1.208 10 5 CDBELO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339150908 359306471 /nfs/dbraw/zinc/30/64/71/359306471.db2.gz YPUITXAYLQYJPN-MFKMUULPSA-N 1 2 296.323 1.272 10 5 CDBELO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339150908 359306475 /nfs/dbraw/zinc/30/64/75/359306475.db2.gz YPUITXAYLQYJPN-MFKMUULPSA-N 1 2 296.323 1.272 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191103630 373448091 /nfs/dbraw/zinc/44/80/91/373448091.db2.gz BGHSBHMIXBQNMD-NSHDSACASA-N 1 2 277.324 1.820 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191103630 373448098 /nfs/dbraw/zinc/44/80/98/373448098.db2.gz BGHSBHMIXBQNMD-NSHDSACASA-N 1 2 277.324 1.820 10 5 CDBELO CCC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+](C)C ZINC000092546242 373702533 /nfs/dbraw/zinc/70/25/33/373702533.db2.gz PUGCAOZLCRRZJM-LLVKDONJSA-N 1 2 281.312 1.969 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000124996156 374881643 /nfs/dbraw/zinc/88/16/43/374881643.db2.gz HMBBNTINFUBOQB-GFCCVEGCSA-N 1 2 292.339 1.573 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000124996156 374881657 /nfs/dbraw/zinc/88/16/57/374881657.db2.gz HMBBNTINFUBOQB-GFCCVEGCSA-N 1 2 292.339 1.573 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000069351320 378025808 /nfs/dbraw/zinc/02/58/08/378025808.db2.gz HPNRIGKHYZWJBI-UHFFFAOYSA-N 1 2 288.307 1.909 10 5 CDBELO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000490099162 253029304 /nfs/dbraw/zinc/02/93/04/253029304.db2.gz ORVVFDYUWVAHLW-ZDUSSCGKSA-N 1 2 298.314 1.971 10 5 CDBELO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000490099162 253029306 /nfs/dbraw/zinc/02/93/06/253029306.db2.gz ORVVFDYUWVAHLW-ZDUSSCGKSA-N 1 2 298.314 1.971 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C)(CO)C1 ZINC000459617045 392492162 /nfs/dbraw/zinc/49/21/62/392492162.db2.gz BQWRNQLJCBRDPD-UHFFFAOYSA-N 1 2 280.324 1.808 10 5 CDBELO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420995977 392924255 /nfs/dbraw/zinc/92/42/55/392924255.db2.gz AKZYHQVLCJIARJ-MWLCHTKSSA-N 1 2 290.323 1.816 10 5 CDBELO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420995977 392924256 /nfs/dbraw/zinc/92/42/56/392924256.db2.gz AKZYHQVLCJIARJ-MWLCHTKSSA-N 1 2 290.323 1.816 10 5 CDBELO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000282067702 393170330 /nfs/dbraw/zinc/17/03/30/393170330.db2.gz GZCLTWDPLRAICF-NSHDSACASA-N 1 2 293.323 1.136 10 5 CDBELO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000282067702 393170335 /nfs/dbraw/zinc/17/03/35/393170335.db2.gz GZCLTWDPLRAICF-NSHDSACASA-N 1 2 293.323 1.136 10 5 CDBELO COc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)ccc1[N+](=O)[O-] ZINC000352667962 155341645 /nfs/dbraw/zinc/34/16/45/155341645.db2.gz OKVOMNHPLIROJT-GFCCVEGCSA-N 1 2 293.323 1.266 10 5 CDBELO COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)ccc1[N+](=O)[O-] ZINC000352667962 155341648 /nfs/dbraw/zinc/34/16/48/155341648.db2.gz OKVOMNHPLIROJT-GFCCVEGCSA-N 1 2 293.323 1.266 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2C)n1 ZINC000359099502 158125681 /nfs/dbraw/zinc/12/56/81/158125681.db2.gz BYZIJCSODRBPCJ-UHFFFAOYSA-N 1 2 275.312 1.977 10 5 CDBELO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362232299 159101715 /nfs/dbraw/zinc/10/17/15/159101715.db2.gz BLJWPPDCYFAFCY-NSHDSACASA-N 1 2 293.323 1.644 10 5 CDBELO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362232299 159101717 /nfs/dbraw/zinc/10/17/17/159101717.db2.gz BLJWPPDCYFAFCY-NSHDSACASA-N 1 2 293.323 1.644 10 5 CDBELO C[C@H]1CCCC[N@@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037332286 173133631 /nfs/dbraw/zinc/13/36/31/173133631.db2.gz DYBDAOBQTLYBHH-VIFPVBQESA-N 1 2 251.286 1.980 10 5 CDBELO C[C@H]1CCCC[N@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037332286 173133634 /nfs/dbraw/zinc/13/36/34/173133634.db2.gz DYBDAOBQTLYBHH-VIFPVBQESA-N 1 2 251.286 1.980 10 5 CDBELO CC(C)OC(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000043446433 175048284 /nfs/dbraw/zinc/04/82/84/175048284.db2.gz FXKXVJDJBACVIK-UHFFFAOYSA-N 1 2 266.297 1.679 10 5 CDBELO CCCNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153297640 289163491 /nfs/dbraw/zinc/16/34/91/289163491.db2.gz VHQKDORGXQRFCL-UHFFFAOYSA-N 1 2 277.324 1.479 10 5 CDBELO CCCNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153297640 289163493 /nfs/dbraw/zinc/16/34/93/289163493.db2.gz VHQKDORGXQRFCL-UHFFFAOYSA-N 1 2 277.324 1.479 10 5 CDBELO C[NH2+][C@H](CCOc1ccc(F)cc1[N+](=O)[O-])C(=O)OC ZINC000062595953 522461676 /nfs/dbraw/zinc/46/16/76/522461676.db2.gz ANPJRYHWFPKSOV-SECBINFHSA-N 1 2 286.259 1.264 10 5 CDBELO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339207446 520634009 /nfs/dbraw/zinc/63/40/09/520634009.db2.gz RCDUJRHPZXYCBD-LBPRGKRZSA-N 1 2 266.297 1.646 10 5 CDBELO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339207446 520634018 /nfs/dbraw/zinc/63/40/18/520634018.db2.gz RCDUJRHPZXYCBD-LBPRGKRZSA-N 1 2 266.297 1.646 10 5 CDBELO C[NH2+][C@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000068651567 522522786 /nfs/dbraw/zinc/52/27/86/522522786.db2.gz MAEWMQIZURMZRM-IINYFYTJSA-N 1 2 296.323 1.903 10 5 CDBELO COC(=O)[C@@](C)([NH3+])COc1ccc(C)cc1[N+](=O)[O-] ZINC000045466377 523816229 /nfs/dbraw/zinc/81/62/29/523816229.db2.gz LXYYDYZBHNWRGK-LBPRGKRZSA-N 1 2 268.269 1.172 10 5 CDBELO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000050792376 524614422 /nfs/dbraw/zinc/61/44/22/524614422.db2.gz YCDBEOOHYGOHOS-UWVGGRQHSA-N 1 2 265.313 1.786 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050710105 524959803 /nfs/dbraw/zinc/95/98/03/524959803.db2.gz FDTZJKWOQGYNIK-VIFPVBQESA-N 1 2 289.295 1.192 10 5 CDBELO C[C@@H]1C[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000050792372 524997565 /nfs/dbraw/zinc/99/75/65/524997565.db2.gz SHBZRVITAZHLDQ-AOOOYVTPSA-N 1 2 265.313 1.786 10 5 CDBELO C[C@@H]1C[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000050792372 524997576 /nfs/dbraw/zinc/99/75/76/524997576.db2.gz SHBZRVITAZHLDQ-AOOOYVTPSA-N 1 2 265.313 1.786 10 5 CDBELO CCNc1cc(CNc2nn(C)cc2[N+](=O)[O-])cc[nH+]1 ZINC001655738600 1171721010 /nfs/dbraw/zinc/72/10/10/1171721010.db2.gz KNCIDDAYZQSTLW-UHFFFAOYSA-N 1 2 276.300 1.767 10 5 CDBELO C[C@H](COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000813113875 1163817542 /nfs/dbraw/zinc/81/75/42/1163817542.db2.gz VQSOUJQYEVFOEH-TZMCWYRMSA-N 1 2 292.335 1.859 10 5 CDBELO C[C@H](COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000813113875 1163817549 /nfs/dbraw/zinc/81/75/49/1163817549.db2.gz VQSOUJQYEVFOEH-TZMCWYRMSA-N 1 2 292.335 1.859 10 5 CDBELO O=[N+]([O-])c1cnn(Cc2[nH+]ccn2CC(F)F)c1 ZINC000871647034 797865339 /nfs/dbraw/zinc/86/53/39/797865339.db2.gz VXBKHZYFMLVRTJ-UHFFFAOYSA-N 1 2 257.200 1.301 10 5 CDBELO COC(=O)/C=C\c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000931360885 933547273 /nfs/dbraw/zinc/54/72/73/933547273.db2.gz HYVIGGVMXPJALH-HYXAFXHYSA-N 1 2 273.248 1.967 10 5 CDBELO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000802237753 936033600 /nfs/dbraw/zinc/03/36/00/936033600.db2.gz JOBQYBZTLCQWRC-LBPRGKRZSA-N 1 2 282.271 1.795 10 5 CDBELO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000802237753 936033602 /nfs/dbraw/zinc/03/36/02/936033602.db2.gz JOBQYBZTLCQWRC-LBPRGKRZSA-N 1 2 282.271 1.795 10 5 CDBELO Cc1[nH]c(CNc2nn(C)cc2[N+](=O)[O-])[nH+]c1C ZINC001559284987 965425971 /nfs/dbraw/zinc/42/59/71/965425971.db2.gz YYEBZJGQZYTAQB-UHFFFAOYSA-N 1 2 250.262 1.280 10 5 CDBELO CC(C)(CCC(=O)NCCCn1cc[nH+]c1)[N+](=O)[O-] ZINC001463619030 969744065 /nfs/dbraw/zinc/74/40/65/969744065.db2.gz WYQCJVAETVOSDR-UHFFFAOYSA-N 1 2 268.317 1.225 10 5 CDBELO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC000590445462 342546594 /nfs/dbraw/zinc/54/65/94/342546594.db2.gz MYRZWYBZDDHIGW-BXKDBHETSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC000590445462 342546595 /nfs/dbraw/zinc/54/65/95/342546595.db2.gz MYRZWYBZDDHIGW-BXKDBHETSA-N 1 2 291.307 1.077 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1NCc1cn2c([nH+]1)CCCC2 ZINC000608885630 342082823 /nfs/dbraw/zinc/08/28/23/342082823.db2.gz CJKCWSPJBASWSH-UHFFFAOYSA-N 1 2 276.300 1.473 10 5 CDBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@H](O)C[C@H](O)C3)c2c1 ZINC000591150869 342619049 /nfs/dbraw/zinc/61/90/49/342619049.db2.gz KOEDWBPJEPOKKJ-TXEJJXNPSA-N 1 2 289.291 1.075 10 5 CDBELO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093344483 342422563 /nfs/dbraw/zinc/42/25/63/342422563.db2.gz FIAOYSIXXNPFCN-WPRPVWTQSA-N 1 2 256.327 1.859 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093344483 342422564 /nfs/dbraw/zinc/42/25/64/342422564.db2.gz FIAOYSIXXNPFCN-WPRPVWTQSA-N 1 2 256.327 1.859 10 5 CDBELO O=[N+]([O-])c1c(NC[C@@]2(O)CCOC2)ccc2c[nH+]ccc21 ZINC000599059948 343947180 /nfs/dbraw/zinc/94/71/80/343947180.db2.gz QOVSXXVERSLQEE-AWEZNQCLSA-N 1 2 289.291 1.706 10 5 CDBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCOCC1 ZINC000599012863 343939933 /nfs/dbraw/zinc/93/99/33/343939933.db2.gz DFEIESWUQBXRQR-UHFFFAOYSA-N 1 2 259.265 1.980 10 5 CDBELO COC[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599074353 343949280 /nfs/dbraw/zinc/94/92/80/343949280.db2.gz QMTATGAYXUKKBF-SNVBAGLBSA-N 1 2 277.280 1.562 10 5 CDBELO O=C1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C1CC1 ZINC000610504674 346297317 /nfs/dbraw/zinc/29/73/17/346297317.db2.gz GQELKEQUJMKVCY-UHFFFAOYSA-N 1 2 289.335 1.444 10 5 CDBELO O=C1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1C1CC1 ZINC000610504674 346297321 /nfs/dbraw/zinc/29/73/21/346297321.db2.gz GQELKEQUJMKVCY-UHFFFAOYSA-N 1 2 289.335 1.444 10 5 CDBELO C[N@@H+]1CCO[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000105471225 186058791 /nfs/dbraw/zinc/05/87/91/186058791.db2.gz GDRRCPCXPGGKPY-GFCCVEGCSA-N 1 2 299.758 1.668 10 5 CDBELO C[N@H+]1CCO[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000105471225 186058792 /nfs/dbraw/zinc/05/87/92/186058792.db2.gz GDRRCPCXPGGKPY-GFCCVEGCSA-N 1 2 299.758 1.668 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000110489971 186298869 /nfs/dbraw/zinc/29/88/69/186298869.db2.gz DNHVVOYAWXMXFB-SNVBAGLBSA-N 1 2 296.283 1.246 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000110489971 186298871 /nfs/dbraw/zinc/29/88/71/186298871.db2.gz DNHVVOYAWXMXFB-SNVBAGLBSA-N 1 2 296.283 1.246 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(CC[NH+]2C[C@H](C)O[C@@H](C)C2)c1=O ZINC000571702657 359603380 /nfs/dbraw/zinc/60/33/80/359603380.db2.gz PQMWGWYAGATAPT-RYUDHWBXSA-N 1 2 295.339 1.174 10 5 CDBELO C[C@H]1CC[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408307328 360491750 /nfs/dbraw/zinc/49/17/50/360491750.db2.gz DJRDOQASEKTDBO-GWCFXTLKSA-N 1 2 277.324 1.915 10 5 CDBELO C[C@H]1CC[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408307328 360491754 /nfs/dbraw/zinc/49/17/54/360491754.db2.gz DJRDOQASEKTDBO-GWCFXTLKSA-N 1 2 277.324 1.915 10 5 CDBELO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000276623652 374736635 /nfs/dbraw/zinc/73/66/35/374736635.db2.gz FIHOESVQQSVAEE-VIFPVBQESA-N 1 2 261.285 1.574 10 5 CDBELO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449474841 374812123 /nfs/dbraw/zinc/81/21/23/374812123.db2.gz VYFPRULVQXXJNR-ZANVPECISA-N 1 2 266.297 1.646 10 5 CDBELO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449474841 374812128 /nfs/dbraw/zinc/81/21/28/374812128.db2.gz VYFPRULVQXXJNR-ZANVPECISA-N 1 2 266.297 1.646 10 5 CDBELO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000302476913 375204678 /nfs/dbraw/zinc/20/46/78/375204678.db2.gz WWILOAIAEGYLBG-SNVBAGLBSA-N 1 2 299.758 1.751 10 5 CDBELO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000302476913 375204684 /nfs/dbraw/zinc/20/46/84/375204684.db2.gz WWILOAIAEGYLBG-SNVBAGLBSA-N 1 2 299.758 1.751 10 5 CDBELO C[C@@](O)(CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413259825 391186360 /nfs/dbraw/zinc/18/63/60/391186360.db2.gz DQOQRZLVMHMSDM-ZDUSSCGKSA-N 1 2 277.280 1.298 10 5 CDBELO Cn1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2F)c1 ZINC000413383797 391209625 /nfs/dbraw/zinc/20/96/25/391209625.db2.gz OFUJQTDBJXPJQD-UHFFFAOYSA-N 1 2 265.248 1.517 10 5 CDBELO [NH3+][C@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000236322786 140239906 /nfs/dbraw/zinc/23/99/06/140239906.db2.gz LHZPZGHSMPEXQX-YUMQZZPRSA-N 1 2 265.269 1.366 10 5 CDBELO CC(C)(C(=O)NCc1ccc([N+](=O)[O-])cc1)c1c[nH]c[nH+]1 ZINC000346218487 153101530 /nfs/dbraw/zinc/10/15/30/153101530.db2.gz IDAONNYPVMOLPD-UHFFFAOYSA-N 1 2 288.307 1.912 10 5 CDBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1csc([N+](=O)[O-])c1 ZINC000362408542 159141599 /nfs/dbraw/zinc/14/15/99/159141599.db2.gz VLKUXDWBQCKPIW-QMMMGPOBSA-N 1 2 292.320 1.667 10 5 CDBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1csc([N+](=O)[O-])c1 ZINC000362408542 159141601 /nfs/dbraw/zinc/14/16/01/159141601.db2.gz VLKUXDWBQCKPIW-QMMMGPOBSA-N 1 2 292.320 1.667 10 5 CDBELO C[NH+]1CCC(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000362955452 159276558 /nfs/dbraw/zinc/27/65/58/159276558.db2.gz QTJNKXNORRSMNI-UHFFFAOYSA-N 1 2 293.323 1.971 10 5 CDBELO COc1ccc([N+](=O)[O-])c(NCCc2cn(C)c[nH+]2)c1 ZINC000313440675 270325402 /nfs/dbraw/zinc/32/54/02/270325402.db2.gz GCAYAGGEQHZPEG-UHFFFAOYSA-N 1 2 276.296 1.992 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368822042 280365281 /nfs/dbraw/zinc/36/52/81/280365281.db2.gz DKROUEQIQDIXOG-ZDUSSCGKSA-N 1 2 295.314 1.250 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368822042 280365283 /nfs/dbraw/zinc/36/52/83/280365283.db2.gz DKROUEQIQDIXOG-ZDUSSCGKSA-N 1 2 295.314 1.250 10 5 CDBELO CN(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153247646 289162369 /nfs/dbraw/zinc/16/23/69/289162369.db2.gz IZTUYGMUERUMJH-UHFFFAOYSA-N 1 2 263.297 1.041 10 5 CDBELO CN(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153247646 289162374 /nfs/dbraw/zinc/16/23/74/289162374.db2.gz IZTUYGMUERUMJH-UHFFFAOYSA-N 1 2 263.297 1.041 10 5 CDBELO CC[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000062541005 520092830 /nfs/dbraw/zinc/09/28/30/520092830.db2.gz QGVONTJOKOFGGM-LBPRGKRZSA-N 1 2 282.296 1.515 10 5 CDBELO CC[C@H]1C[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050813688 523286674 /nfs/dbraw/zinc/28/66/74/523286674.db2.gz UFYPAEMQAIZDFV-NSHDSACASA-N 1 2 265.313 1.788 10 5 CDBELO CC[C@H]1C[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050813688 523286690 /nfs/dbraw/zinc/28/66/90/523286690.db2.gz UFYPAEMQAIZDFV-NSHDSACASA-N 1 2 265.313 1.788 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752091259 577088626 /nfs/dbraw/zinc/08/86/26/577088626.db2.gz HENHMAWIOWOUDR-PHIMTYICSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752091259 577088629 /nfs/dbraw/zinc/08/86/29/577088629.db2.gz HENHMAWIOWOUDR-PHIMTYICSA-N 1 2 286.715 1.176 10 5 CDBELO Cc1c([C@H](C)[NH2+]Cc2cnn(C)n2)cccc1[N+](=O)[O-] ZINC000806168648 617313827 /nfs/dbraw/zinc/31/38/27/617313827.db2.gz WAVDZUNAEMDXBK-JTQLQIEISA-N 1 2 275.312 1.883 10 5 CDBELO Cc1[nH+]c[nH]c1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001624454067 1165841872 /nfs/dbraw/zinc/84/18/72/1165841872.db2.gz WCIYOVYMYBCFMT-UHFFFAOYSA-N 1 2 288.307 1.528 10 5 CDBELO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001636724285 1166692412 /nfs/dbraw/zinc/69/24/12/1166692412.db2.gz VJOKTKKYKBTDKW-UHFFFAOYSA-N 1 2 289.295 1.698 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001595833445 1174216921 /nfs/dbraw/zinc/21/69/21/1174216921.db2.gz FOTMUBZUVUUWLB-VIFPVBQESA-N 1 2 292.270 1.749 10 5 CDBELO O=[N+]([O-])c1cn(Cc2[nH+]ccn2CC(F)F)cn1 ZINC000871645850 811218806 /nfs/dbraw/zinc/21/88/06/811218806.db2.gz HZNXUPSGRWIOGL-UHFFFAOYSA-N 1 2 257.200 1.301 10 5 CDBELO O=C1NCCC[C@H]1[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319541053 958619269 /nfs/dbraw/zinc/61/92/69/958619269.db2.gz LIJMKVQFJCAIRT-GFCCVEGCSA-N 1 2 261.281 1.189 10 5 CDBELO O=C1NCCC[C@H]1[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319541053 958619277 /nfs/dbraw/zinc/61/92/77/958619277.db2.gz LIJMKVQFJCAIRT-GFCCVEGCSA-N 1 2 261.281 1.189 10 5 CDBELO C[C@H](CC(=O)Nc1c([N+](=O)[O-])ncn1C)n1cc[nH+]c1 ZINC001460048944 969470424 /nfs/dbraw/zinc/47/04/24/969470424.db2.gz KYAAZMNNUSAYTE-MRVPVSSYSA-N 1 2 278.272 1.115 10 5 CDBELO Cn1cc[nH+]c1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587866691 342486973 /nfs/dbraw/zinc/48/69/73/342486973.db2.gz KZTMLJAFJAOBJG-UHFFFAOYSA-N 1 2 277.284 1.015 10 5 CDBELO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592257457 342683415 /nfs/dbraw/zinc/68/34/15/342683415.db2.gz DPAHUQHUVTTYBV-MRVPVSSYSA-N 1 2 265.269 1.239 10 5 CDBELO CCN1OC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000595414045 343051214 /nfs/dbraw/zinc/05/12/14/343051214.db2.gz HUSIRSGDBHEAEF-SKDRFNHKSA-N 1 2 279.296 1.408 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000611973513 346941290 /nfs/dbraw/zinc/94/12/90/346941290.db2.gz KDHRKXNNAMEFRP-SNVBAGLBSA-N 1 2 275.312 1.883 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084191 343958000 /nfs/dbraw/zinc/95/80/00/343958000.db2.gz PVBLRFPTIVYKFL-GWCFXTLKSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084191 343958001 /nfs/dbraw/zinc/95/80/01/343958001.db2.gz PVBLRFPTIVYKFL-GWCFXTLKSA-N 1 2 293.323 1.232 10 5 CDBELO CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1ccc(N)[nH+]c1 ZINC000361015791 357773326 /nfs/dbraw/zinc/77/33/26/357773326.db2.gz VRNXKLYDECGPFC-UHFFFAOYSA-N 1 2 290.327 1.564 10 5 CDBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263000892 358928893 /nfs/dbraw/zinc/92/88/93/358928893.db2.gz OUHCKKJOUCDYAR-JTQLQIEISA-N 1 2 299.277 1.550 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000339094909 359293084 /nfs/dbraw/zinc/29/30/84/359293084.db2.gz LMUNLJHDEBOUIA-GFCCVEGCSA-N 1 2 266.297 1.911 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000339094909 359293088 /nfs/dbraw/zinc/29/30/88/359293088.db2.gz LMUNLJHDEBOUIA-GFCCVEGCSA-N 1 2 266.297 1.911 10 5 CDBELO O=[N+]([O-])c1cccnc1N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000267331509 359822773 /nfs/dbraw/zinc/82/27/73/359822773.db2.gz BVHFKSKPMFNBGJ-NSHDSACASA-N 1 2 273.296 1.855 10 5 CDBELO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000339160896 361317052 /nfs/dbraw/zinc/31/70/52/361317052.db2.gz NEUQNFQVSUEWAD-GFCCVEGCSA-N 1 2 279.296 1.011 10 5 CDBELO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000339160896 361317057 /nfs/dbraw/zinc/31/70/57/361317057.db2.gz NEUQNFQVSUEWAD-GFCCVEGCSA-N 1 2 279.296 1.011 10 5 CDBELO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000414587844 241269646 /nfs/dbraw/zinc/26/96/46/241269646.db2.gz QDUCGYJKEHGUFQ-SMDDNHRTSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1ccc(C[N@H+]2CCO[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000414587844 241269650 /nfs/dbraw/zinc/26/96/50/241269650.db2.gz QDUCGYJKEHGUFQ-SMDDNHRTSA-N 1 2 280.324 1.485 10 5 CDBELO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000217316035 373620920 /nfs/dbraw/zinc/62/09/20/373620920.db2.gz VUAHSRWFBMHRAZ-SNVBAGLBSA-N 1 2 293.323 1.515 10 5 CDBELO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000132549114 375522235 /nfs/dbraw/zinc/52/22/35/375522235.db2.gz BZHGAIAANFMEBD-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000132549114 375522241 /nfs/dbraw/zinc/52/22/41/375522241.db2.gz BZHGAIAANFMEBD-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO COC(=O)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358805013 158033654 /nfs/dbraw/zinc/03/36/54/158033654.db2.gz FANCUXOOYBINDS-ZDUSSCGKSA-N 1 2 278.308 1.679 10 5 CDBELO COC(=O)[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000358805052 158034240 /nfs/dbraw/zinc/03/42/40/158034240.db2.gz FJPFSDGAYMBIFS-CYBMUJFWSA-N 1 2 293.323 1.548 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000050725130 520328626 /nfs/dbraw/zinc/32/86/26/520328626.db2.gz VWULFGKXNJVLSC-UHFFFAOYSA-N 1 2 292.339 1.414 10 5 CDBELO CCOC(=O)[C@@H]([NH3+])COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471833 521074358 /nfs/dbraw/zinc/07/43/58/521074358.db2.gz BHQTZFUICMNQSX-VIFPVBQESA-N 1 2 288.687 1.517 10 5 CDBELO CCOC(=O)[C@H](CCOc1ccc(C)cc1[N+](=O)[O-])[NH2+]C ZINC000062541837 521247953 /nfs/dbraw/zinc/24/79/53/521247953.db2.gz SFBHCASEWUGKTQ-NSHDSACASA-N 1 2 296.323 1.823 10 5 CDBELO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000339207409 521291927 /nfs/dbraw/zinc/29/19/27/521291927.db2.gz PNPMTKSVLHFQLK-NSHDSACASA-N 1 2 266.297 1.911 10 5 CDBELO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000339207409 521291935 /nfs/dbraw/zinc/29/19/35/521291935.db2.gz PNPMTKSVLHFQLK-NSHDSACASA-N 1 2 266.297 1.911 10 5 CDBELO C[NH2+][C@@](C)(C[C@@H](C)Oc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000068650900 522417243 /nfs/dbraw/zinc/41/72/43/522417243.db2.gz RMQCYDDJJLAUOH-YGRLFVJLSA-N 1 2 296.323 1.903 10 5 CDBELO Cc1c(NCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000062723757 525867379 /nfs/dbraw/zinc/86/73/79/525867379.db2.gz BGUZKAHPKHMSPC-UHFFFAOYSA-N 1 2 278.356 1.563 10 5 CDBELO Nc1cc(N)[nH+]c(Sc2ncnc(Cl)c2[N+](=O)[O-])n1 ZINC000050456084 527458243 /nfs/dbraw/zinc/45/82/43/527458243.db2.gz ZDXUHORQRYXANI-UHFFFAOYSA-N 1 2 299.703 1.144 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000744164748 576667842 /nfs/dbraw/zinc/66/78/42/576667842.db2.gz MMPQTSSNIQEDIW-UHFFFAOYSA-N 1 2 299.294 1.521 10 5 CDBELO Cc1cc(C)c(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c[nH+]1 ZINC001639154944 1166906638 /nfs/dbraw/zinc/90/66/38/1166906638.db2.gz MWNTWEYHANWOEJ-UHFFFAOYSA-N 1 2 275.268 1.260 10 5 CDBELO COc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)sn1 ZINC001644654299 1167332164 /nfs/dbraw/zinc/33/21/64/1167332164.db2.gz YHARJZKJIDMVHS-UHFFFAOYSA-N 1 2 297.340 1.388 10 5 CDBELO COc1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)sn1 ZINC001644654299 1167332165 /nfs/dbraw/zinc/33/21/65/1167332165.db2.gz YHARJZKJIDMVHS-UHFFFAOYSA-N 1 2 297.340 1.388 10 5 CDBELO CCc1[nH]c(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c[nH+]1 ZINC001652460945 1171437605 /nfs/dbraw/zinc/43/76/05/1171437605.db2.gz RDNRBBYZUDTJHW-UHFFFAOYSA-N 1 2 292.270 1.949 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[nH+]1 ZINC001652460945 1171437610 /nfs/dbraw/zinc/43/76/10/1171437610.db2.gz RDNRBBYZUDTJHW-UHFFFAOYSA-N 1 2 292.270 1.949 10 5 CDBELO CC[N@H+](C)[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813104423 818053791 /nfs/dbraw/zinc/05/37/91/818053791.db2.gz CHGIPQGISLOARY-YPMHNXCESA-N 1 2 280.324 1.888 10 5 CDBELO CC[N@@H+](C)[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813104423 818053797 /nfs/dbraw/zinc/05/37/97/818053797.db2.gz CHGIPQGISLOARY-YPMHNXCESA-N 1 2 280.324 1.888 10 5 CDBELO Cn1c(C(=O)O[C@@H]2CC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802237759 818500362 /nfs/dbraw/zinc/50/03/62/818500362.db2.gz ADZDQMIQTKQNOO-SECBINFHSA-N 1 2 285.275 1.134 10 5 CDBELO Cn1c(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802237759 818500369 /nfs/dbraw/zinc/50/03/69/818500369.db2.gz ADZDQMIQTKQNOO-SECBINFHSA-N 1 2 285.275 1.134 10 5 CDBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](CCF)C2)c(F)c1 ZINC000865927882 821083386 /nfs/dbraw/zinc/08/33/86/821083386.db2.gz JUGJJSPBVBHBLM-SECBINFHSA-N 1 2 286.282 1.975 10 5 CDBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](CCF)C2)c(F)c1 ZINC000865927882 821083392 /nfs/dbraw/zinc/08/33/92/821083392.db2.gz JUGJJSPBVBHBLM-SECBINFHSA-N 1 2 286.282 1.975 10 5 CDBELO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CCO)c1ccco1 ZINC001645387216 1167398694 /nfs/dbraw/zinc/39/86/94/1167398694.db2.gz YRUPEAPJPQHCAC-LLVKDONJSA-N 1 2 277.280 1.796 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000828909927 926207105 /nfs/dbraw/zinc/20/71/05/926207105.db2.gz OXIXSIWANXGCAK-NSHDSACASA-N 1 2 291.307 1.221 10 5 CDBELO C[C@@H]1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1=O ZINC000852473845 927793109 /nfs/dbraw/zinc/79/31/09/927793109.db2.gz HFSJCMSRBYQWKA-JTNHKYCSSA-N 1 2 292.335 1.785 10 5 CDBELO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC001291742639 954110802 /nfs/dbraw/zinc/11/08/02/954110802.db2.gz RAAYZULAXJTTGS-VIFPVBQESA-N 1 2 274.280 1.738 10 5 CDBELO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC001291742638 954111590 /nfs/dbraw/zinc/11/15/90/954111590.db2.gz RAAYZULAXJTTGS-SECBINFHSA-N 1 2 274.280 1.738 10 5 CDBELO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC001293568595 954386532 /nfs/dbraw/zinc/38/65/32/954386532.db2.gz KVDWWTWUXRXHPW-UHFFFAOYSA-N 1 2 290.254 1.628 10 5 CDBELO CC[C@@H](C[N+](=O)[O-])OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001344401879 964298133 /nfs/dbraw/zinc/29/81/33/964298133.db2.gz FTBWTZWFNZQTIA-NSHDSACASA-N 1 2 281.312 1.360 10 5 CDBELO CCc1[nH]c(CNc2cc[nH]c(=O)c2[N+](=O)[O-])c[nH+]1 ZINC001458657672 969331517 /nfs/dbraw/zinc/33/15/17/969331517.db2.gz VQFLBDAEKDYPMN-UHFFFAOYSA-N 1 2 263.257 1.593 10 5 CDBELO CCc1[nH]cc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])[nH+]1 ZINC001458657672 969331521 /nfs/dbraw/zinc/33/15/21/969331521.db2.gz VQFLBDAEKDYPMN-UHFFFAOYSA-N 1 2 263.257 1.593 10 5 CDBELO C[C@@H](CC(=O)Nc1c([N+](=O)[O-])ncn1C)n1cc[nH+]c1 ZINC001460048946 969470326 /nfs/dbraw/zinc/47/03/26/969470326.db2.gz KYAAZMNNUSAYTE-QMMMGPOBSA-N 1 2 278.272 1.115 10 5 CDBELO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593688894 342823105 /nfs/dbraw/zinc/82/31/05/342823105.db2.gz RGGSUGLNVRDEBR-XWIDATGUSA-N 1 2 292.360 1.813 10 5 CDBELO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593688894 342823106 /nfs/dbraw/zinc/82/31/06/342823106.db2.gz RGGSUGLNVRDEBR-XWIDATGUSA-N 1 2 292.360 1.813 10 5 CDBELO COc1ccc([N+](=O)[O-])c(NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000599160945 343970841 /nfs/dbraw/zinc/97/08/41/343970841.db2.gz MGDWXSICHOZHBX-SNVBAGLBSA-N 1 2 281.312 1.346 10 5 CDBELO COc1ccc([N+](=O)[O-])c(NC[C@@H]2COCC[N@H+]2C)c1 ZINC000599160945 343970842 /nfs/dbraw/zinc/97/08/42/343970842.db2.gz MGDWXSICHOZHBX-SNVBAGLBSA-N 1 2 281.312 1.346 10 5 CDBELO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000293165459 362533584 /nfs/dbraw/zinc/53/35/84/362533584.db2.gz VXPQADZXKIEYJJ-ZJUUUORDSA-N 1 2 293.323 1.882 10 5 CDBELO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000293165459 362533592 /nfs/dbraw/zinc/53/35/92/362533592.db2.gz VXPQADZXKIEYJJ-ZJUUUORDSA-N 1 2 293.323 1.882 10 5 CDBELO C[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000613936784 347955901 /nfs/dbraw/zinc/95/59/01/347955901.db2.gz RHAMDFHXXMSWIZ-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000613936784 347955905 /nfs/dbraw/zinc/95/59/05/347955905.db2.gz RHAMDFHXXMSWIZ-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614271686 348051576 /nfs/dbraw/zinc/05/15/76/348051576.db2.gz ROPLJLIWLWDBCB-JTQLQIEISA-N 1 2 279.296 1.723 10 5 CDBELO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614271686 348051579 /nfs/dbraw/zinc/05/15/79/348051579.db2.gz ROPLJLIWLWDBCB-JTQLQIEISA-N 1 2 279.296 1.723 10 5 CDBELO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000066797477 350876303 /nfs/dbraw/zinc/87/63/03/350876303.db2.gz YLJURBZFWWHEEK-UHFFFAOYSA-N 1 2 299.334 1.707 10 5 CDBELO CC(C)(NC(=O)Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000079980474 350997815 /nfs/dbraw/zinc/99/78/15/350997815.db2.gz HEWBUYHWDYZGDD-UHFFFAOYSA-N 1 2 288.307 1.843 10 5 CDBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286467446 356458671 /nfs/dbraw/zinc/45/86/71/356458671.db2.gz NKKYTECHGRIELX-VIFPVBQESA-N 1 2 290.270 1.147 10 5 CDBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000286467446 356458672 /nfs/dbraw/zinc/45/86/72/356458672.db2.gz NKKYTECHGRIELX-VIFPVBQESA-N 1 2 290.270 1.147 10 5 CDBELO Cc1sc(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000291252590 358901733 /nfs/dbraw/zinc/90/17/33/358901733.db2.gz YEEJLUBDNBLBLS-UHFFFAOYSA-N 1 2 292.320 1.817 10 5 CDBELO Cc1ccc[nH+]c1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450738692 358994141 /nfs/dbraw/zinc/99/41/41/358994141.db2.gz OAYGXIDBGPJHMY-UHFFFAOYSA-N 1 2 273.296 1.473 10 5 CDBELO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000414587831 241267976 /nfs/dbraw/zinc/26/79/76/241267976.db2.gz QDUCGYJKEHGUFQ-BXUZGUMPSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1ccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000414587831 241267983 /nfs/dbraw/zinc/26/79/83/241267983.db2.gz QDUCGYJKEHGUFQ-BXUZGUMPSA-N 1 2 280.324 1.485 10 5 CDBELO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](CCCO)CC1 ZINC000292478654 296510946 /nfs/dbraw/zinc/51/09/46/296510946.db2.gz LQYSLGRTNAJDCH-UHFFFAOYSA-N 1 2 299.758 1.753 10 5 CDBELO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000346982290 153368137 /nfs/dbraw/zinc/36/81/37/153368137.db2.gz NFHBUKFOOUYTLE-ZYHUDNBSSA-N 1 2 296.323 1.185 10 5 CDBELO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000346982290 153368139 /nfs/dbraw/zinc/36/81/39/153368139.db2.gz NFHBUKFOOUYTLE-ZYHUDNBSSA-N 1 2 296.323 1.185 10 5 CDBELO CN(C)C(=O)C[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000037254455 173065589 /nfs/dbraw/zinc/06/55/89/173065589.db2.gz DYTUSJUSHYKTFL-UHFFFAOYSA-N 1 2 273.239 1.051 10 5 CDBELO Cn1cc[nH+]c1CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000040690784 174376897 /nfs/dbraw/zinc/37/68/97/174376897.db2.gz POLUPKMFIXGTDZ-UHFFFAOYSA-N 1 2 292.270 1.440 10 5 CDBELO O=C(NCCc1c[nH+]c[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000078742098 177380557 /nfs/dbraw/zinc/38/05/57/177380557.db2.gz OOKKCQWZMMGYPR-UHFFFAOYSA-N 1 2 294.698 1.944 10 5 CDBELO O=C(NCCc1c[nH]c[nH+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000078742098 177380559 /nfs/dbraw/zinc/38/05/59/177380559.db2.gz OOKKCQWZMMGYPR-UHFFFAOYSA-N 1 2 294.698 1.944 10 5 CDBELO CCNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153050875 289155227 /nfs/dbraw/zinc/15/52/27/289155227.db2.gz MTNRNDNSEGYMBC-UHFFFAOYSA-N 1 2 263.297 1.089 10 5 CDBELO CCNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153050875 289155229 /nfs/dbraw/zinc/15/52/29/289155229.db2.gz MTNRNDNSEGYMBC-UHFFFAOYSA-N 1 2 263.297 1.089 10 5 CDBELO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000170859768 289316128 /nfs/dbraw/zinc/31/61/28/289316128.db2.gz CVBSTRBVBKISOV-SNVBAGLBSA-N 1 2 279.296 1.077 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000050792569 522647211 /nfs/dbraw/zinc/64/72/11/522647211.db2.gz QRIBMILJFWAYQX-JTQLQIEISA-N 1 2 265.313 1.857 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000050792569 522647218 /nfs/dbraw/zinc/64/72/18/522647218.db2.gz QRIBMILJFWAYQX-JTQLQIEISA-N 1 2 265.313 1.857 10 5 CDBELO Cc1cc(NC(=O)[C@H]2CSC[NH2+]2)c([N+](=O)[O-])cc1C ZINC000050439806 525236956 /nfs/dbraw/zinc/23/69/56/525236956.db2.gz FTHDQFWFFXXSIK-SNVBAGLBSA-N 1 2 281.337 1.813 10 5 CDBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000898482375 621753965 /nfs/dbraw/zinc/75/39/65/621753965.db2.gz BLZYHNUDLHLYSG-GFCCVEGCSA-N 1 2 295.314 1.759 10 5 CDBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000898482375 621753978 /nfs/dbraw/zinc/75/39/78/621753978.db2.gz BLZYHNUDLHLYSG-GFCCVEGCSA-N 1 2 295.314 1.759 10 5 CDBELO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000913536317 630530473 /nfs/dbraw/zinc/53/04/73/630530473.db2.gz QUYOHHJPFWUZGP-PHIMTYICSA-N 1 2 291.307 1.219 10 5 CDBELO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000913536317 630530476 /nfs/dbraw/zinc/53/04/76/630530476.db2.gz QUYOHHJPFWUZGP-PHIMTYICSA-N 1 2 291.307 1.219 10 5 CDBELO COC(=O)[C@@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000151654176 630730827 /nfs/dbraw/zinc/73/08/27/630730827.db2.gz CNVIWJXSTKVSDR-LLVKDONJSA-N 1 2 296.327 1.251 10 5 CDBELO COC(=O)[C@@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000151654176 630730829 /nfs/dbraw/zinc/73/08/29/630730829.db2.gz CNVIWJXSTKVSDR-LLVKDONJSA-N 1 2 296.327 1.251 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC001618329758 1165628604 /nfs/dbraw/zinc/62/86/04/1165628604.db2.gz MDMDCWMEKUPDSB-UHFFFAOYSA-N 1 2 289.295 1.315 10 5 CDBELO Cc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC001635375391 1166584171 /nfs/dbraw/zinc/58/41/71/1166584171.db2.gz DWGCJBYUBMUYBU-UHFFFAOYSA-N 1 2 274.280 1.865 10 5 CDBELO Cc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)on1 ZINC001659774118 1172136627 /nfs/dbraw/zinc/13/66/27/1172136627.db2.gz VAMCVJRGXHQXAH-CQSZACIVSA-N 1 2 291.307 1.889 10 5 CDBELO CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001699712178 1176579536 /nfs/dbraw/zinc/57/95/36/1176579536.db2.gz JAATXVDFEITVNF-CHWSQXEVSA-N 1 2 283.372 1.375 10 5 CDBELO Cc1noc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])n1 ZINC001168980555 927568828 /nfs/dbraw/zinc/56/88/28/927568828.db2.gz KALZBLHXKUQOIO-ZETCQYMHSA-N 1 2 280.288 1.142 10 5 CDBELO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC001135880546 930496931 /nfs/dbraw/zinc/49/69/31/930496931.db2.gz DYASDADVIJCMIV-UHFFFAOYSA-N 1 2 260.253 1.808 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)C1(O)CCCC1)C2 ZINC001119680600 937746882 /nfs/dbraw/zinc/74/68/82/937746882.db2.gz MSBPODVKWYYWGO-AWEZNQCLSA-N 1 2 292.335 1.576 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)C1(O)CCCC1)C2 ZINC001119680600 937746884 /nfs/dbraw/zinc/74/68/84/937746884.db2.gz MSBPODVKWYYWGO-AWEZNQCLSA-N 1 2 292.335 1.576 10 5 CDBELO Cc1cc(N2CC[N@@H+](C)[C@@H](CO)C2)c(F)cc1[N+](=O)[O-] ZINC000687592872 934330085 /nfs/dbraw/zinc/33/00/85/934330085.db2.gz AXMZMTUCDGSAAV-SNVBAGLBSA-N 1 2 283.303 1.155 10 5 CDBELO Cc1cc(N2CC[N@H+](C)[C@@H](CO)C2)c(F)cc1[N+](=O)[O-] ZINC000687592872 934330093 /nfs/dbraw/zinc/33/00/93/934330093.db2.gz AXMZMTUCDGSAAV-SNVBAGLBSA-N 1 2 283.303 1.155 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001524816039 970897802 /nfs/dbraw/zinc/89/78/02/970897802.db2.gz MZTOPCKQBNTCES-UHFFFAOYSA-N 1 2 288.307 1.230 10 5 CDBELO Cc1nc(N[C@H]2CCC[N@H+](CCF)C2)ncc1[N+](=O)[O-] ZINC001331904486 957324212 /nfs/dbraw/zinc/32/42/12/957324212.db2.gz AKQSHWKJFNATTJ-JTQLQIEISA-N 1 2 283.307 1.539 10 5 CDBELO Cc1nc(N[C@H]2CCC[N@@H+](CCF)C2)ncc1[N+](=O)[O-] ZINC001331904486 957324219 /nfs/dbraw/zinc/32/42/19/957324219.db2.gz AKQSHWKJFNATTJ-JTQLQIEISA-N 1 2 283.307 1.539 10 5 CDBELO Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001323594223 960849812 /nfs/dbraw/zinc/84/98/12/960849812.db2.gz AHVAIGYOIWLSBT-UHFFFAOYSA-N 1 2 287.275 1.986 10 5 CDBELO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)[nH+]c1C ZINC001465749015 969895105 /nfs/dbraw/zinc/89/51/05/969895105.db2.gz ITOFYLMUYHNFIV-UHFFFAOYSA-N 1 2 289.295 1.568 10 5 CDBELO CC[NH+](CC)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233451913 342039402 /nfs/dbraw/zinc/03/94/02/342039402.db2.gz OTBWVQDMWCNSGF-UHFFFAOYSA-N 1 2 295.339 1.762 10 5 CDBELO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000593060793 342761028 /nfs/dbraw/zinc/76/10/28/342761028.db2.gz IONQLZBNKOYNFK-VHSXEESVSA-N 1 2 272.326 1.238 10 5 CDBELO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000593060793 342761029 /nfs/dbraw/zinc/76/10/29/342761029.db2.gz IONQLZBNKOYNFK-VHSXEESVSA-N 1 2 272.326 1.238 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593922087 342851979 /nfs/dbraw/zinc/85/19/79/342851979.db2.gz AKYSPALMJPNKJN-WDEREUQCSA-N 1 2 291.307 1.770 10 5 CDBELO C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ncnn21 ZINC000594958201 342983778 /nfs/dbraw/zinc/98/37/78/342983778.db2.gz ZHXBQLXBVGYXAM-JOYOIKCWSA-N 1 2 273.296 1.982 10 5 CDBELO CCN1OC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000595414043 343051300 /nfs/dbraw/zinc/05/13/00/343051300.db2.gz HUSIRSGDBHEAEF-JOYOIKCWSA-N 1 2 279.296 1.408 10 5 CDBELO CNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000597248970 343498731 /nfs/dbraw/zinc/49/87/31/343498731.db2.gz DSGXXGZYFWEBBI-UHFFFAOYSA-N 1 2 251.286 1.081 10 5 CDBELO CNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000597248970 343498734 /nfs/dbraw/zinc/49/87/34/343498734.db2.gz DSGXXGZYFWEBBI-UHFFFAOYSA-N 1 2 251.286 1.081 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000611983988 346949413 /nfs/dbraw/zinc/94/94/13/346949413.db2.gz ANTYHTQCGQZYSR-UHFFFAOYSA-N 1 2 278.308 1.913 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000611983988 346949415 /nfs/dbraw/zinc/94/94/15/346949415.db2.gz ANTYHTQCGQZYSR-UHFFFAOYSA-N 1 2 278.308 1.913 10 5 CDBELO CC(C)[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000598572073 343832835 /nfs/dbraw/zinc/83/28/35/343832835.db2.gz KSTBKHZJFTXXHC-LLVKDONJSA-N 1 2 293.323 1.370 10 5 CDBELO CO[C@@](C)(CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599100766 343954682 /nfs/dbraw/zinc/95/46/82/343954682.db2.gz NGAIOCTUDGQHRH-CQSZACIVSA-N 1 2 291.307 1.952 10 5 CDBELO Cc1nc(N)c(CNC(=O)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000584830520 346444736 /nfs/dbraw/zinc/44/47/36/346444736.db2.gz WSCZSJFAYBYTMX-UHFFFAOYSA-N 1 2 287.279 1.036 10 5 CDBELO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000611236387 346704157 /nfs/dbraw/zinc/70/41/57/346704157.db2.gz VBLPEPHRGHRWDZ-UHFFFAOYSA-N 1 2 286.251 1.228 10 5 CDBELO O=C(Nc1ccc2[nH+]ccn2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000619787639 350848093 /nfs/dbraw/zinc/84/80/93/350848093.db2.gz RSLCARRCZSYCSW-UHFFFAOYSA-N 1 2 272.224 1.218 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000293717267 363100490 /nfs/dbraw/zinc/10/04/90/363100490.db2.gz YEWDSQGDBXMZLZ-JTQLQIEISA-N 1 2 277.280 1.957 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000293717267 363100494 /nfs/dbraw/zinc/10/04/94/363100494.db2.gz YEWDSQGDBXMZLZ-JTQLQIEISA-N 1 2 277.280 1.957 10 5 CDBELO CN1CC[NH+]([C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000725272193 538462947 /nfs/dbraw/zinc/46/29/47/538462947.db2.gz ZXEOWSIJGNCFKJ-CYBMUJFWSA-N 1 2 261.325 1.830 10 5 CDBELO CC[C@@H]([NH2+]Cc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000342290694 358986458 /nfs/dbraw/zinc/98/64/58/358986458.db2.gz QKJPXGNJDHBYLO-LLVKDONJSA-N 1 2 276.300 1.359 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1NCCCn1cc[nH+]c1 ZINC000401232614 364556228 /nfs/dbraw/zinc/55/62/28/364556228.db2.gz JEGLBSBFSOFOJR-UHFFFAOYSA-N 1 2 265.248 1.828 10 5 CDBELO C[C@H](O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000425451275 374439608 /nfs/dbraw/zinc/43/96/08/374439608.db2.gz BETQUIMMKIKALC-VIFPVBQESA-N 1 2 251.286 1.119 10 5 CDBELO C[C@H](O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000425451275 374439612 /nfs/dbraw/zinc/43/96/12/374439612.db2.gz BETQUIMMKIKALC-VIFPVBQESA-N 1 2 251.286 1.119 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000330453480 374852938 /nfs/dbraw/zinc/85/29/38/374852938.db2.gz LMUNLJHDEBOUIA-LBPRGKRZSA-N 1 2 266.297 1.911 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000330453480 374852941 /nfs/dbraw/zinc/85/29/41/374852941.db2.gz LMUNLJHDEBOUIA-LBPRGKRZSA-N 1 2 266.297 1.911 10 5 CDBELO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185324087 378653081 /nfs/dbraw/zinc/65/30/81/378653081.db2.gz PFENUCMAFLATNH-SNVBAGLBSA-N 1 2 293.323 1.515 10 5 CDBELO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185324087 378653085 /nfs/dbraw/zinc/65/30/85/378653085.db2.gz PFENUCMAFLATNH-SNVBAGLBSA-N 1 2 293.323 1.515 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185181717 391626552 /nfs/dbraw/zinc/62/65/52/391626552.db2.gz KHQQWHOTUSACLA-CQSZACIVSA-N 1 2 278.308 1.586 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185181717 391626554 /nfs/dbraw/zinc/62/65/54/391626554.db2.gz KHQQWHOTUSACLA-CQSZACIVSA-N 1 2 278.308 1.586 10 5 CDBELO CNC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248426141 391675917 /nfs/dbraw/zinc/67/59/17/391675917.db2.gz OGDVKSHSJSRFDO-GXFFZTMASA-N 1 2 293.323 1.103 10 5 CDBELO CNC(=O)[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248426141 391675919 /nfs/dbraw/zinc/67/59/19/391675919.db2.gz OGDVKSHSJSRFDO-GXFFZTMASA-N 1 2 293.323 1.103 10 5 CDBELO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000236314661 140239774 /nfs/dbraw/zinc/23/97/74/140239774.db2.gz LHZPZGHSMPEXQX-JGVFFNPUSA-N 1 2 265.269 1.366 10 5 CDBELO Cc1sc(C(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000359114540 158130701 /nfs/dbraw/zinc/13/07/01/158130701.db2.gz DXWWLFASKKCKQH-UHFFFAOYSA-N 1 2 266.282 1.618 10 5 CDBELO Cc1sc(C(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000359114540 158130705 /nfs/dbraw/zinc/13/07/05/158130705.db2.gz DXWWLFASKKCKQH-UHFFFAOYSA-N 1 2 266.282 1.618 10 5 CDBELO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000044465458 175177545 /nfs/dbraw/zinc/17/75/45/175177545.db2.gz LCELQNXMUXZNHU-MFKMUULPSA-N 1 2 288.307 1.126 10 5 CDBELO Cn1ccnc1C[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000071273825 176105783 /nfs/dbraw/zinc/10/57/83/176105783.db2.gz BIMLGGWOMJVTNN-UHFFFAOYSA-N 1 2 264.260 1.757 10 5 CDBELO Cn1cc[nH+]c1CNCc1cc(F)ccc1[N+](=O)[O-] ZINC000071273825 176105784 /nfs/dbraw/zinc/10/57/84/176105784.db2.gz BIMLGGWOMJVTNN-UHFFFAOYSA-N 1 2 264.260 1.757 10 5 CDBELO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000563094491 293272009 /nfs/dbraw/zinc/27/20/09/293272009.db2.gz JPPVVNAYABABNZ-VXNVDRBHSA-N 1 2 265.269 1.237 10 5 CDBELO Cc1ccc(OCc2cc[nH+]c(N)c2)c([N+](=O)[O-])n1 ZINC000052755600 525444817 /nfs/dbraw/zinc/44/48/17/525444817.db2.gz PQWAPIQPYZXCCV-UHFFFAOYSA-N 1 2 260.253 1.854 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1 ZINC000054455234 527313817 /nfs/dbraw/zinc/31/38/17/527313817.db2.gz JUKDHZDGDKBTGG-UHFFFAOYSA-N 1 2 289.295 1.315 10 5 CDBELO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680300 527327726 /nfs/dbraw/zinc/32/77/26/527327726.db2.gz PYHYPACYMDXIAL-UHFFFAOYSA-N 1 2 261.241 1.163 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000191694007 529154600 /nfs/dbraw/zinc/15/46/00/529154600.db2.gz XZOWOKLAEFPBBP-UHFFFAOYSA-N 1 2 275.268 1.767 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC001641997424 1167150448 /nfs/dbraw/zinc/15/04/48/1167150448.db2.gz NKFAYKKJVGGFEZ-UHFFFAOYSA-N 1 2 287.279 1.151 10 5 CDBELO C[NH+](C)Cc1nc(CNC(=O)CCC(C)(C)[N+](=O)[O-])co1 ZINC001597858498 1174294844 /nfs/dbraw/zinc/29/48/44/1174294844.db2.gz ULVZSDIZQUIUIO-UHFFFAOYSA-N 1 2 298.343 1.188 10 5 CDBELO Cc1sc(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928567813 833161241 /nfs/dbraw/zinc/16/12/41/833161241.db2.gz CHNURNARWKQEHA-MRVPVSSYSA-N 1 2 269.326 1.399 10 5 CDBELO Cc1sc(C(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928567813 833161283 /nfs/dbraw/zinc/16/12/83/833161283.db2.gz CHNURNARWKQEHA-MRVPVSSYSA-N 1 2 269.326 1.399 10 5 CDBELO CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@H]1CCOC1 ZINC000812295757 834977366 /nfs/dbraw/zinc/97/73/66/834977366.db2.gz JSNVVEGHKWSZQM-JTQLQIEISA-N 1 2 254.290 1.168 10 5 CDBELO CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@H]1CCOC1 ZINC000812295757 834977393 /nfs/dbraw/zinc/97/73/93/834977393.db2.gz JSNVVEGHKWSZQM-JTQLQIEISA-N 1 2 254.290 1.168 10 5 CDBELO CCN(C)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063075 835299659 /nfs/dbraw/zinc/29/96/59/835299659.db2.gz MYWAOPNDNDFIJU-VIFPVBQESA-N 1 2 283.303 1.863 10 5 CDBELO Nc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC001149164604 936902568 /nfs/dbraw/zinc/90/25/68/936902568.db2.gz SQXNTJJUPFTCMJ-SNVBAGLBSA-N 1 2 287.279 1.248 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC001334603399 959234981 /nfs/dbraw/zinc/23/49/81/959234981.db2.gz MRSNVVUTKDSHRK-QEJZJMRPSA-N 1 2 290.319 1.714 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC001334603399 959234996 /nfs/dbraw/zinc/23/49/96/959234996.db2.gz MRSNVVUTKDSHRK-QEJZJMRPSA-N 1 2 290.319 1.714 10 5 CDBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC(CCO)C1 ZINC000599062579 343947543 /nfs/dbraw/zinc/94/75/43/343947543.db2.gz NKGHGPVUHYNBIP-UHFFFAOYSA-N 1 2 273.292 1.962 10 5 CDBELO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599084254 343958031 /nfs/dbraw/zinc/95/80/31/343958031.db2.gz QQNXUTJYSQTETD-ZWNOBZJWSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599084254 343958032 /nfs/dbraw/zinc/95/80/32/343958032.db2.gz QQNXUTJYSQTETD-ZWNOBZJWSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000262930386 358909354 /nfs/dbraw/zinc/90/93/54/358909354.db2.gz HTZUMGXTWIHZQF-LDYMZIIASA-N 1 2 299.277 1.769 10 5 CDBELO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352845296 358965391 /nfs/dbraw/zinc/96/53/91/358965391.db2.gz WPCKOPGLQFKQBC-SNVBAGLBSA-N 1 2 295.339 1.761 10 5 CDBELO CC[N@H+](Cc1cn(C)nn1)Cc1cccc([N+](=O)[O-])c1 ZINC000341601031 373815871 /nfs/dbraw/zinc/81/58/71/373815871.db2.gz KLJKJVBVZFIUJM-UHFFFAOYSA-N 1 2 275.312 1.745 10 5 CDBELO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc([N+](=O)[O-])c1 ZINC000341601031 373815873 /nfs/dbraw/zinc/81/58/73/373815873.db2.gz KLJKJVBVZFIUJM-UHFFFAOYSA-N 1 2 275.312 1.745 10 5 CDBELO CC(C)OC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352999714 375562764 /nfs/dbraw/zinc/56/27/64/375562764.db2.gz JTDCVWXZEUAWCT-CYBMUJFWSA-N 1 2 295.339 1.134 10 5 CDBELO CC(C)OC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352999714 375562769 /nfs/dbraw/zinc/56/27/69/375562769.db2.gz JTDCVWXZEUAWCT-CYBMUJFWSA-N 1 2 295.339 1.134 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000183328897 391262087 /nfs/dbraw/zinc/26/20/87/391262087.db2.gz BUSLCIFNIHVOBG-CQSZACIVSA-N 1 2 291.351 1.860 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000183328897 391262090 /nfs/dbraw/zinc/26/20/90/391262090.db2.gz BUSLCIFNIHVOBG-CQSZACIVSA-N 1 2 291.351 1.860 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189298427 140111734 /nfs/dbraw/zinc/11/17/34/140111734.db2.gz XIZIOZBCVQJTHL-LLVKDONJSA-N 1 2 293.323 1.184 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000189298427 140111735 /nfs/dbraw/zinc/11/17/35/140111735.db2.gz XIZIOZBCVQJTHL-LLVKDONJSA-N 1 2 293.323 1.184 10 5 CDBELO CCOC(=O)[C@@H]([NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000044341050 175164088 /nfs/dbraw/zinc/16/40/88/175164088.db2.gz FKFZKXJVTUYINO-VIFPVBQESA-N 1 2 256.233 1.167 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCn1cc[nH+]c1 ZINC000194796219 280056193 /nfs/dbraw/zinc/05/61/93/280056193.db2.gz VBCSBQFZQTVKFG-UHFFFAOYSA-N 1 2 274.280 1.530 10 5 CDBELO CC1(C)C[NH+](CC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000576356581 317125029 /nfs/dbraw/zinc/12/50/29/317125029.db2.gz DYNNMQDSUWKVLS-UHFFFAOYSA-N 1 2 277.324 1.553 10 5 CDBELO CCCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815751 520450540 /nfs/dbraw/zinc/45/05/40/520450540.db2.gz WRCMWXRDQVYLBC-UHFFFAOYSA-N 1 2 294.355 1.724 10 5 CDBELO CCCC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815751 520450546 /nfs/dbraw/zinc/45/05/46/520450546.db2.gz WRCMWXRDQVYLBC-UHFFFAOYSA-N 1 2 294.355 1.724 10 5 CDBELO Cn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2N)cn1 ZINC000050817253 523515214 /nfs/dbraw/zinc/51/52/14/523515214.db2.gz TVCBTDYLBCOSKT-UHFFFAOYSA-N 1 2 275.312 1.543 10 5 CDBELO Cn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2N)cn1 ZINC000050817253 523515222 /nfs/dbraw/zinc/51/52/22/523515222.db2.gz TVCBTDYLBCOSKT-UHFFFAOYSA-N 1 2 275.312 1.543 10 5 CDBELO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050816166 526959496 /nfs/dbraw/zinc/95/94/96/526959496.db2.gz JNBUMSKOMNEJLA-LBPRGKRZSA-N 1 2 278.312 1.017 10 5 CDBELO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050816166 526959502 /nfs/dbraw/zinc/95/95/02/526959502.db2.gz JNBUMSKOMNEJLA-LBPRGKRZSA-N 1 2 278.312 1.017 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c(Cl)c1 ZINC000184011468 527351613 /nfs/dbraw/zinc/35/16/13/527351613.db2.gz KTJUSGDURBSNFL-GHMZBOCLSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c(Cl)c1 ZINC000184011468 527351620 /nfs/dbraw/zinc/35/16/20/527351620.db2.gz KTJUSGDURBSNFL-GHMZBOCLSA-N 1 2 286.715 1.176 10 5 CDBELO Cc1cnc(N2CC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000408239863 617642877 /nfs/dbraw/zinc/64/28/77/617642877.db2.gz FSDSHNHJFXDCKW-LBPRGKRZSA-N 1 2 292.339 1.209 10 5 CDBELO Cc1cnc(N2CC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000408239862 617643107 /nfs/dbraw/zinc/64/31/07/617643107.db2.gz FSDSHNHJFXDCKW-GFCCVEGCSA-N 1 2 292.339 1.209 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001616323024 1165566264 /nfs/dbraw/zinc/56/62/64/1165566264.db2.gz LWNZIKGVCCXJAU-UHFFFAOYSA-N 1 2 290.279 1.056 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001624539047 1165847789 /nfs/dbraw/zinc/84/77/89/1165847789.db2.gz ALBRDJDUCARVPH-SNVBAGLBSA-N 1 2 268.317 1.223 10 5 CDBELO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001630565615 1166215221 /nfs/dbraw/zinc/21/52/21/1166215221.db2.gz GLSSASDLJUDCSU-LLVKDONJSA-N 1 2 287.279 1.248 10 5 CDBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001641141891 1167080740 /nfs/dbraw/zinc/08/07/40/1167080740.db2.gz NAFKEGZSKNYYSB-QMMMGPOBSA-N 1 2 290.254 1.285 10 5 CDBELO Cc1nc(NCc2ccc(N)[nH+]c2)ncc1[N+](=O)[O-] ZINC001650976994 1171275545 /nfs/dbraw/zinc/27/55/45/1171275545.db2.gz FITPPYKMSJMNGC-UHFFFAOYSA-N 1 2 260.257 1.283 10 5 CDBELO [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236328726 1178262362 /nfs/dbraw/zinc/26/23/62/1178262362.db2.gz VVFPUHKFTNJNFD-ZJUUUORDSA-N 1 2 279.296 1.756 10 5 CDBELO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865927974 837588330 /nfs/dbraw/zinc/58/83/30/837588330.db2.gz MNJHPLIRELFKFJ-SNVBAGLBSA-N 1 2 268.292 1.836 10 5 CDBELO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865927974 837588354 /nfs/dbraw/zinc/58/83/54/837588354.db2.gz MNJHPLIRELFKFJ-SNVBAGLBSA-N 1 2 268.292 1.836 10 5 CDBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]([NH3+])C(F)F ZINC000724705336 897206082 /nfs/dbraw/zinc/20/60/82/897206082.db2.gz YHOVXEGUEJYXMN-VIFPVBQESA-N 1 2 287.266 1.536 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](O)[C@@H]1C ZINC001194384285 924198496 /nfs/dbraw/zinc/19/84/96/924198496.db2.gz KKRCQKWHSJZMGS-GWCFXTLKSA-N 1 2 293.323 1.297 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](O)[C@@H]1C ZINC001194384285 924198502 /nfs/dbraw/zinc/19/85/02/924198502.db2.gz KKRCQKWHSJZMGS-GWCFXTLKSA-N 1 2 293.323 1.297 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC1 ZINC001135029345 930015706 /nfs/dbraw/zinc/01/57/06/930015706.db2.gz XKJOIRQZULTCQF-UHFFFAOYSA-N 1 2 288.263 1.210 10 5 CDBELO CC/C=C\CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001277593176 943074659 /nfs/dbraw/zinc/07/46/59/943074659.db2.gz CUUZSQIKWIAIQX-DIABFLQPSA-N 1 2 281.356 1.151 10 5 CDBELO CON(C)C(=O)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346916875 965296565 /nfs/dbraw/zinc/29/65/65/965296565.db2.gz DJNYZJXEQBEOIL-UHFFFAOYSA-N 1 2 279.296 1.320 10 5 CDBELO CON(C)C(=O)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346916875 965296574 /nfs/dbraw/zinc/29/65/74/965296574.db2.gz DJNYZJXEQBEOIL-UHFFFAOYSA-N 1 2 279.296 1.320 10 5 CDBELO CC(C)c1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])cn2C)[nH+]1 ZINC001472092089 970566685 /nfs/dbraw/zinc/56/66/85/970566685.db2.gz FQROEQMOWKUWKN-UHFFFAOYSA-N 1 2 291.311 1.710 10 5 CDBELO CC(C)c1[nH]c(CNC(=O)c2cc([N+](=O)[O-])cn2C)c[nH+]1 ZINC001472092089 970566692 /nfs/dbraw/zinc/56/66/92/970566692.db2.gz FQROEQMOWKUWKN-UHFFFAOYSA-N 1 2 291.311 1.710 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c(F)c1 ZINC000593098409 342765998 /nfs/dbraw/zinc/76/59/98/342765998.db2.gz XQORURVBSNLFGN-ZHYXMNDGSA-N 1 2 284.312 1.439 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c(F)c1 ZINC000593098409 342766000 /nfs/dbraw/zinc/76/60/00/342766000.db2.gz XQORURVBSNLFGN-ZHYXMNDGSA-N 1 2 284.312 1.439 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCC[NH+]1CCOCC1 ZINC000205348087 342208605 /nfs/dbraw/zinc/20/86/05/342208605.db2.gz WGVLSSMKQKCFQE-UHFFFAOYSA-N 1 2 281.312 1.348 10 5 CDBELO CO[C@]1(CO)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595657660 343118650 /nfs/dbraw/zinc/11/86/50/343118650.db2.gz FEEJKJSCDOHYGX-CQSZACIVSA-N 1 2 296.323 1.274 10 5 CDBELO CO[C@]1(CO)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595657660 343118652 /nfs/dbraw/zinc/11/86/52/343118652.db2.gz FEEJKJSCDOHYGX-CQSZACIVSA-N 1 2 296.323 1.274 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000609624903 345981727 /nfs/dbraw/zinc/98/17/27/345981727.db2.gz ZNBNKIXHHYEFFD-UHFFFAOYSA-N 1 2 286.291 1.797 10 5 CDBELO [NH3+][C@@]1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOC1 ZINC000085850956 179187903 /nfs/dbraw/zinc/18/79/03/179187903.db2.gz YYJBJWHMDXQKTN-LBPRGKRZSA-N 1 2 276.252 1.219 10 5 CDBELO C[C@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450818123 359008995 /nfs/dbraw/zinc/00/89/95/359008995.db2.gz HOUKEAOGRIKDLD-WPRPVWTQSA-N 1 2 259.269 1.726 10 5 CDBELO Cc1sc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000347510255 376318705 /nfs/dbraw/zinc/31/87/05/376318705.db2.gz CUPUJXFCNIYZBP-UHFFFAOYSA-N 1 2 280.309 1.960 10 5 CDBELO O=C1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000195185942 296323085 /nfs/dbraw/zinc/32/30/85/296323085.db2.gz GPJSOOSGXIXTEP-UHFFFAOYSA-N 1 2 267.260 1.056 10 5 CDBELO O=C1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000195185942 296323087 /nfs/dbraw/zinc/32/30/87/296323087.db2.gz GPJSOOSGXIXTEP-UHFFFAOYSA-N 1 2 267.260 1.056 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000286086556 390192389 /nfs/dbraw/zinc/19/23/89/390192389.db2.gz DRBSKBVJCSSUFX-SECBINFHSA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000286086556 390192390 /nfs/dbraw/zinc/19/23/90/390192390.db2.gz DRBSKBVJCSSUFX-SECBINFHSA-N 1 2 269.276 1.476 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000349972848 154293095 /nfs/dbraw/zinc/29/30/95/154293095.db2.gz UDYVGSPDSUGGGG-BXUZGUMPSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000349972848 154293097 /nfs/dbraw/zinc/29/30/97/154293097.db2.gz UDYVGSPDSUGGGG-BXUZGUMPSA-N 1 2 280.324 1.485 10 5 CDBELO CNc1[nH+]cnc2c1cnn2Cc1ccccc1[N+](=O)[O-] ZINC000181839023 323252075 /nfs/dbraw/zinc/25/20/75/323252075.db2.gz FTKGHYRVWLEEIJ-UHFFFAOYSA-N 1 2 284.279 1.825 10 5 CDBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000583299924 325146128 /nfs/dbraw/zinc/14/61/28/325146128.db2.gz WMKKMNXCZVLXRV-UHFFFAOYSA-N 1 2 292.299 1.100 10 5 CDBELO COC(=O)[C@@H](CCOc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC1 ZINC000062541025 523575758 /nfs/dbraw/zinc/57/57/58/523575758.db2.gz VWTLULDVMDOLMV-CYBMUJFWSA-N 1 2 294.307 1.657 10 5 CDBELO CC[NH+](CC)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233432922 535538784 /nfs/dbraw/zinc/53/87/84/535538784.db2.gz FDQSQECNSIPOBO-UHFFFAOYSA-N 1 2 281.312 1.372 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806168477 617312167 /nfs/dbraw/zinc/31/21/67/617312167.db2.gz OBHCRIGACAJEPO-JTQLQIEISA-N 1 2 275.312 1.883 10 5 CDBELO CC1(C)CC(=O)NCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000931201585 617644448 /nfs/dbraw/zinc/64/44/48/617644448.db2.gz QNPHEJDDKVCIQF-UHFFFAOYSA-N 1 2 278.312 1.090 10 5 CDBELO CC1(C)CC(=O)NCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000931201585 617644450 /nfs/dbraw/zinc/64/44/50/617644450.db2.gz QNPHEJDDKVCIQF-UHFFFAOYSA-N 1 2 278.312 1.090 10 5 CDBELO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001634730067 1166533008 /nfs/dbraw/zinc/53/30/08/1166533008.db2.gz HQOLXORFZZKBGP-UHFFFAOYSA-N 1 2 298.262 1.472 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)OCCCn1cc[nH+]c1 ZINC000782545004 847049872 /nfs/dbraw/zinc/04/98/72/847049872.db2.gz GAKKSONQLYPXRF-UHFFFAOYSA-N 1 2 290.279 1.742 10 5 CDBELO C[C@@H]([NH2+]CCS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872029866 847896195 /nfs/dbraw/zinc/89/61/95/847896195.db2.gz UVQSLXGQNXIWJF-MRVPVSSYSA-N 1 2 290.316 1.429 10 5 CDBELO Cc1nc([C@@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)no1 ZINC001176098349 913936317 /nfs/dbraw/zinc/93/63/17/913936317.db2.gz ZWOXIKVYJLXWIW-SECBINFHSA-N 1 2 293.283 1.572 10 5 CDBELO Cc1nc([C@@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)no1 ZINC001176098349 913936326 /nfs/dbraw/zinc/93/63/26/913936326.db2.gz ZWOXIKVYJLXWIW-SECBINFHSA-N 1 2 293.283 1.572 10 5 CDBELO Cc1cc(N2CC[N@@H+](C)[C@H](CO)C2)c(F)cc1[N+](=O)[O-] ZINC000687592868 902224793 /nfs/dbraw/zinc/22/47/93/902224793.db2.gz AXMZMTUCDGSAAV-JTQLQIEISA-N 1 2 283.303 1.155 10 5 CDBELO Cc1cc(N2CC[N@H+](C)[C@H](CO)C2)c(F)cc1[N+](=O)[O-] ZINC000687592868 902224806 /nfs/dbraw/zinc/22/48/06/902224806.db2.gz AXMZMTUCDGSAAV-JTQLQIEISA-N 1 2 283.303 1.155 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000589197047 342500679 /nfs/dbraw/zinc/50/06/79/342500679.db2.gz VNTRMPIUEXHIDJ-ZDUSSCGKSA-N 1 2 266.297 1.503 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000589197047 342500680 /nfs/dbraw/zinc/50/06/80/342500680.db2.gz VNTRMPIUEXHIDJ-ZDUSSCGKSA-N 1 2 266.297 1.503 10 5 CDBELO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000564936206 365552520 /nfs/dbraw/zinc/55/25/20/365552520.db2.gz FETFGBJNWPGOMI-SNVBAGLBSA-N 1 2 295.295 1.008 10 5 CDBELO O=[N+]([O-])c1ccsc1N1CC(C[NH+]2CCOCC2)C1 ZINC000596239432 343283864 /nfs/dbraw/zinc/28/38/64/343283864.db2.gz HPAVPADDZVSFMK-UHFFFAOYSA-N 1 2 283.353 1.425 10 5 CDBELO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092588298 342418089 /nfs/dbraw/zinc/41/80/89/342418089.db2.gz PEOFBDMTWNHEFU-NSHDSACASA-N 1 2 293.323 1.530 10 5 CDBELO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092588298 342418090 /nfs/dbraw/zinc/41/80/90/342418090.db2.gz PEOFBDMTWNHEFU-NSHDSACASA-N 1 2 293.323 1.530 10 5 CDBELO NC(=O)[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599096835 343953650 /nfs/dbraw/zinc/95/36/50/343953650.db2.gz XBGZGERWIDEBEO-AOOOYVTPSA-N 1 2 286.291 1.819 10 5 CDBELO NC(=O)[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599145620 343967625 /nfs/dbraw/zinc/96/76/25/343967625.db2.gz XBGZGERWIDEBEO-MGCOHNPYSA-N 1 2 286.291 1.819 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682659 344118176 /nfs/dbraw/zinc/11/81/76/344118176.db2.gz GSYSEMYPPQOASJ-CUOATXAZSA-N 1 2 278.308 1.646 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682659 344118178 /nfs/dbraw/zinc/11/81/78/344118178.db2.gz GSYSEMYPPQOASJ-CUOATXAZSA-N 1 2 278.308 1.646 10 5 CDBELO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000344556005 362937156 /nfs/dbraw/zinc/93/71/56/362937156.db2.gz YVTCNGIEGZMGDR-IUCAKERBSA-N 1 2 254.286 1.407 10 5 CDBELO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181911043 357389763 /nfs/dbraw/zinc/38/97/63/357389763.db2.gz PFMSMNHPDODLFY-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181911043 357389766 /nfs/dbraw/zinc/38/97/66/357389766.db2.gz PFMSMNHPDODLFY-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000192775693 358234795 /nfs/dbraw/zinc/23/47/95/358234795.db2.gz CPSGASRRJAZIMX-SNVBAGLBSA-N 1 2 280.328 1.310 10 5 CDBELO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597702189 358693117 /nfs/dbraw/zinc/69/31/17/358693117.db2.gz YXKNHPXMUMYRSY-KOLCDFICSA-N 1 2 293.323 1.465 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000339082733 359285912 /nfs/dbraw/zinc/28/59/12/359285912.db2.gz WIEHRQFCNCFSOC-ZDUSSCGKSA-N 1 2 296.323 1.178 10 5 CDBELO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339086230 359288544 /nfs/dbraw/zinc/28/85/44/359288544.db2.gz YBLRQVCGBCMIST-NXEZZACHSA-N 1 2 296.323 1.978 10 5 CDBELO CC[N@@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000389980369 365503814 /nfs/dbraw/zinc/50/38/14/365503814.db2.gz KJSBGYGPZAZJJD-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO CC[N@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000389980369 365503818 /nfs/dbraw/zinc/50/38/18/365503818.db2.gz KJSBGYGPZAZJJD-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330471849 374855774 /nfs/dbraw/zinc/85/57/74/374855774.db2.gz OPOHNLFGBJTQGI-CABZTGNLSA-N 1 2 299.352 1.019 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330471849 374855782 /nfs/dbraw/zinc/85/57/82/374855782.db2.gz OPOHNLFGBJTQGI-CABZTGNLSA-N 1 2 299.352 1.019 10 5 CDBELO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280783562 375021696 /nfs/dbraw/zinc/02/16/96/375021696.db2.gz NNAWPZYSZYXECD-SECBINFHSA-N 1 2 281.312 1.370 10 5 CDBELO COCCCOC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358769701 158019112 /nfs/dbraw/zinc/01/91/12/158019112.db2.gz LTRMFADDTODEPE-UHFFFAOYSA-N 1 2 280.324 1.832 10 5 CDBELO C[C@H](O)[C@@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731972 175240897 /nfs/dbraw/zinc/24/08/97/175240897.db2.gz LQONXJMZDMVIFE-IMTBSYHQSA-N 1 2 264.241 1.025 10 5 CDBELO Cc1ccc(N2CC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000301473234 280595677 /nfs/dbraw/zinc/59/56/77/280595677.db2.gz LRTWKOHBEDMAAR-CYBMUJFWSA-N 1 2 291.351 1.814 10 5 CDBELO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000448753548 289362990 /nfs/dbraw/zinc/36/29/90/289362990.db2.gz WZWVCNQSUIUYSG-LLVKDONJSA-N 1 2 293.323 1.370 10 5 CDBELO C[C@@H]1CC[N@H+](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000562683703 293173923 /nfs/dbraw/zinc/17/39/23/293173923.db2.gz WTMXXUHQBXHMAD-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000562683703 293173924 /nfs/dbraw/zinc/17/39/24/293173924.db2.gz WTMXXUHQBXHMAD-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO Cc1ccc(NC(=O)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000010809360 323206865 /nfs/dbraw/zinc/20/68/65/323206865.db2.gz KPZVYBRJLFQBNE-UHFFFAOYSA-N 1 2 260.253 1.738 10 5 CDBELO CNc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000050791930 522609925 /nfs/dbraw/zinc/60/99/25/522609925.db2.gz KCHGHHCTMMREBV-UHFFFAOYSA-N 1 2 292.339 1.301 10 5 CDBELO O=Cc1ccc([N+](=O)[O-])c(OCCn2cc[nH+]c2)c1 ZINC000050517532 527150870 /nfs/dbraw/zinc/15/08/70/527150870.db2.gz WOYJWJMQPWGTIS-UHFFFAOYSA-N 1 2 261.237 1.683 10 5 CDBELO Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000061680192 527494585 /nfs/dbraw/zinc/49/45/85/527494585.db2.gz HQZSTHSYOKVBQS-UHFFFAOYSA-N 1 2 276.227 1.963 10 5 CDBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2CCO)c1 ZINC000762338339 576640440 /nfs/dbraw/zinc/64/04/40/576640440.db2.gz NZHCBICFMPWCJZ-CYBMUJFWSA-N 1 2 296.323 1.057 10 5 CDBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2CCO)c1 ZINC000762338339 576640442 /nfs/dbraw/zinc/64/04/42/576640442.db2.gz NZHCBICFMPWCJZ-CYBMUJFWSA-N 1 2 296.323 1.057 10 5 CDBELO C[C@@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001638381326 1166843872 /nfs/dbraw/zinc/84/38/72/1166843872.db2.gz IWOAFIRDWKBUDY-VIFPVBQESA-N 1 2 289.295 1.963 10 5 CDBELO C[C@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001638381325 1166844103 /nfs/dbraw/zinc/84/41/03/1166844103.db2.gz IWOAFIRDWKBUDY-SECBINFHSA-N 1 2 289.295 1.963 10 5 CDBELO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC001653859024 1171568144 /nfs/dbraw/zinc/56/81/44/1171568144.db2.gz FMWHDVPBDRIMNW-CYBMUJFWSA-N 1 2 291.282 1.952 10 5 CDBELO Cn1ncc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000848550663 698848406 /nfs/dbraw/zinc/84/84/06/698848406.db2.gz SWXVZXTWGZLRJS-LBPRGKRZSA-N 1 2 273.296 1.500 10 5 CDBELO CC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@@H]1CCOC1 ZINC000812295762 848586706 /nfs/dbraw/zinc/58/67/06/848586706.db2.gz JSNVVEGHKWSZQM-SNVBAGLBSA-N 1 2 254.290 1.168 10 5 CDBELO CC[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@@H]1CCOC1 ZINC000812295762 848586714 /nfs/dbraw/zinc/58/67/14/848586714.db2.gz JSNVVEGHKWSZQM-SNVBAGLBSA-N 1 2 254.290 1.168 10 5 CDBELO O=C(Cc1[nH]cc[nH+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001144413692 931804236 /nfs/dbraw/zinc/80/42/36/931804236.db2.gz WEFNKYOQALNBAA-UHFFFAOYSA-N 1 2 290.279 1.056 10 5 CDBELO CC[C@H](C[N+](=O)[O-])OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001344401877 964297123 /nfs/dbraw/zinc/29/71/23/964297123.db2.gz FTBWTZWFNZQTIA-LLVKDONJSA-N 1 2 281.312 1.360 10 5 CDBELO CNc1cc(CNc2ncc([N+](=O)[O-])cn2)cc[nH+]1 ZINC001559285490 965427389 /nfs/dbraw/zinc/42/73/89/965427389.db2.gz PYKLPRXQFOFQTM-UHFFFAOYSA-N 1 2 260.257 1.434 10 5 CDBELO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccccc1[N+](=O)[O-] ZINC000095929181 185031357 /nfs/dbraw/zinc/03/13/57/185031357.db2.gz DRHQWDOUOSVAKY-JTQLQIEISA-N 1 2 266.297 1.806 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C2CC2)CC1 ZINC000299372831 361985438 /nfs/dbraw/zinc/98/54/38/361985438.db2.gz RWDCCYSMIFHQGL-UHFFFAOYSA-N 1 2 281.337 1.577 10 5 CDBELO CO[C@@]1(CO)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595660854 343119915 /nfs/dbraw/zinc/11/99/15/343119915.db2.gz FWVBYCFUHWFKAX-LBPRGKRZSA-N 1 2 286.353 1.630 10 5 CDBELO CO[C@@]1(CO)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595660854 343119916 /nfs/dbraw/zinc/11/99/16/343119916.db2.gz FWVBYCFUHWFKAX-LBPRGKRZSA-N 1 2 286.353 1.630 10 5 CDBELO COC[C@H](CC[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)OC ZINC000596332310 343297103 /nfs/dbraw/zinc/29/71/03/343297103.db2.gz XPXXUOWXICWVAX-JTQLQIEISA-N 1 2 294.311 1.356 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000599160843 343970867 /nfs/dbraw/zinc/97/08/67/343970867.db2.gz QHLSQQHNZVIQMP-QMMMGPOBSA-N 1 2 257.315 1.399 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000599160843 343970870 /nfs/dbraw/zinc/97/08/70/343970870.db2.gz QHLSQQHNZVIQMP-QMMMGPOBSA-N 1 2 257.315 1.399 10 5 CDBELO COc1cnc(OC)c([N+](=O)[O-])c1/C=C\[NH+](C)C ZINC000090555567 180003416 /nfs/dbraw/zinc/00/34/16/180003416.db2.gz RJNULHIDFOCAIN-WAYWQWQTSA-N 1 2 253.258 1.539 10 5 CDBELO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000584468492 357910592 /nfs/dbraw/zinc/91/05/92/357910592.db2.gz 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ZINC000516660185 390966213 /nfs/dbraw/zinc/96/62/13/390966213.db2.gz OSDFGQQFTGLJOL-SNVBAGLBSA-N 1 2 283.353 1.709 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457862371 391653469 /nfs/dbraw/zinc/65/34/69/391653469.db2.gz QQSIZNNVBCWKRF-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO O=[N+]([O-])c1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1 ZINC000057912003 279190889 /nfs/dbraw/zinc/19/08/89/279190889.db2.gz LPQNWSNUNVAIOB-UHFFFAOYSA-N 1 2 285.294 1.978 10 5 CDBELO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339199571 519808018 /nfs/dbraw/zinc/80/80/18/519808018.db2.gz BXPWSZHDGYSLGI-CYBMUJFWSA-N 1 2 268.313 1.797 10 5 CDBELO CCOC(=O)[C@](C)([NH3+])COc1ccc([N+](=O)[O-])cc1OC ZINC000050506130 521327266 /nfs/dbraw/zinc/32/72/66/521327266.db2.gz ZNBBPUQMZHMRRX-CYBMUJFWSA-N 1 2 298.295 1.263 10 5 CDBELO COc1cc(C[N@@H+]2CC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338622485 522398606 /nfs/dbraw/zinc/39/86/06/522398606.db2.gz CXKHNSYMVUGFCY-CYBMUJFWSA-N 1 2 284.287 1.510 10 5 CDBELO COc1cc(C[N@H+]2CC[C@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338622485 522398612 /nfs/dbraw/zinc/39/86/12/522398612.db2.gz CXKHNSYMVUGFCY-CYBMUJFWSA-N 1 2 284.287 1.510 10 5 CDBELO Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c[nH+]1 ZINC000061680220 527493207 /nfs/dbraw/zinc/49/32/07/527493207.db2.gz FKZUECNGPBQYKV-UHFFFAOYSA-N 1 2 276.227 1.963 10 5 CDBELO NC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761515904 576580263 /nfs/dbraw/zinc/58/02/63/576580263.db2.gz VLWUWWMBNOCJPN-VIFPVBQESA-N 1 2 298.730 1.491 10 5 CDBELO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761515904 576580265 /nfs/dbraw/zinc/58/02/65/576580265.db2.gz VLWUWWMBNOCJPN-VIFPVBQESA-N 1 2 298.730 1.491 10 5 CDBELO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c[nH+]1 ZINC001642794667 1167197618 /nfs/dbraw/zinc/19/76/18/1167197618.db2.gz VSRLXFXJAOJNQD-UHFFFAOYSA-N 1 2 274.280 1.865 10 5 CDBELO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928158 705677707 /nfs/dbraw/zinc/67/77/07/705677707.db2.gz RQFASWLOXNLEOI-LLVKDONJSA-N 1 2 299.350 1.965 10 5 CDBELO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928158 705677709 /nfs/dbraw/zinc/67/77/09/705677709.db2.gz RQFASWLOXNLEOI-LLVKDONJSA-N 1 2 299.350 1.965 10 5 CDBELO Cc1cnc(CC[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000165199919 711624182 /nfs/dbraw/zinc/62/41/82/711624182.db2.gz GZJIARVYLDHBCD-UHFFFAOYSA-N 1 2 281.341 1.688 10 5 CDBELO Cc1cnc(CC[N@H+](C)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000165199919 711624185 /nfs/dbraw/zinc/62/41/85/711624185.db2.gz GZJIARVYLDHBCD-UHFFFAOYSA-N 1 2 281.341 1.688 10 5 CDBELO O=C(Cn1cc[nH+]c1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001143384761 895740754 /nfs/dbraw/zinc/74/07/54/895740754.db2.gz WTFVGJFAIAJQEV-UHFFFAOYSA-N 1 2 296.233 1.386 10 5 CDBELO O=C(NCC(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001435287234 962047455 /nfs/dbraw/zinc/04/74/55/962047455.db2.gz JUFIKJFZIWKLMA-UHFFFAOYSA-N 1 2 296.233 1.775 10 5 CDBELO Nc1ccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)c[nH+]1 ZINC001472760267 968806765 /nfs/dbraw/zinc/80/67/65/968806765.db2.gz YBBHDFFOLNDYFI-UHFFFAOYSA-N 1 2 292.270 1.816 10 5 CDBELO Nc1[nH+]cccc1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC001458386011 969294791 /nfs/dbraw/zinc/29/47/91/969294791.db2.gz VUTUHPUMINMMRI-UHFFFAOYSA-N 1 2 292.270 1.816 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001535316760 969565303 /nfs/dbraw/zinc/56/53/03/969565303.db2.gz BEPXVTJEEYALHR-UHFFFAOYSA-N 1 2 274.280 1.301 10 5 CDBELO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000564936205 365550309 /nfs/dbraw/zinc/55/03/09/365550309.db2.gz FETFGBJNWPGOMI-JTQLQIEISA-N 1 2 295.295 1.008 10 5 CDBELO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258558 342683517 /nfs/dbraw/zinc/68/35/17/342683517.db2.gz TZQWOMPVHJGHGQ-QMMMGPOBSA-N 1 2 265.269 1.381 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000594985805 342993789 /nfs/dbraw/zinc/99/37/89/342993789.db2.gz ADRXMWLIJDAPMX-OLZOCXBDSA-N 1 2 278.308 1.694 10 5 CDBELO O=[N+]([O-])c1c(NCCCOCCO)ccc2c[nH+]ccc21 ZINC000599067092 343948079 /nfs/dbraw/zinc/94/80/79/343948079.db2.gz YCPLXPGKTIXEOY-UHFFFAOYSA-N 1 2 291.307 1.954 10 5 CDBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](CO)C1 ZINC000599046493 343950584 /nfs/dbraw/zinc/95/05/84/343950584.db2.gz JYRRXKRZERBSSS-JTQLQIEISA-N 1 2 273.292 1.962 10 5 CDBELO Cn1c(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC000609623228 345981293 /nfs/dbraw/zinc/98/12/93/345981293.db2.gz WQTNFGZLTGJZPU-UHFFFAOYSA-N 1 2 285.263 1.833 10 5 CDBELO Cc1ccc(C[N@H+]2CCCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000191663880 373507441 /nfs/dbraw/zinc/50/74/41/373507441.db2.gz HZGMFJUCRZMZKC-UHFFFAOYSA-N 1 2 277.324 1.567 10 5 CDBELO Cc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000191663880 373507447 /nfs/dbraw/zinc/50/74/47/373507447.db2.gz HZGMFJUCRZMZKC-UHFFFAOYSA-N 1 2 277.324 1.567 10 5 CDBELO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000368959470 374340441 /nfs/dbraw/zinc/34/04/41/374340441.db2.gz WAHBSXUILLXMNG-NHCYSSNCSA-N 1 2 295.364 1.742 10 5 CDBELO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000368959470 374340448 /nfs/dbraw/zinc/34/04/48/374340448.db2.gz WAHBSXUILLXMNG-NHCYSSNCSA-N 1 2 295.364 1.742 10 5 CDBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000371280049 374414754 /nfs/dbraw/zinc/41/47/54/374414754.db2.gz MZIKZHPNPYOZOW-JTQLQIEISA-N 1 2 286.291 1.605 10 5 CDBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000371280049 374414758 /nfs/dbraw/zinc/41/47/58/374414758.db2.gz MZIKZHPNPYOZOW-JTQLQIEISA-N 1 2 286.291 1.605 10 5 CDBELO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883275 374514191 /nfs/dbraw/zinc/51/41/91/374514191.db2.gz XAAFQEDSMSWRQN-UHFFFAOYSA-N 1 2 258.237 1.367 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330471851 374855876 /nfs/dbraw/zinc/85/58/76/374855876.db2.gz OPOHNLFGBJTQGI-SKDRFNHKSA-N 1 2 299.352 1.019 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330471851 374855883 /nfs/dbraw/zinc/85/58/83/374855883.db2.gz OPOHNLFGBJTQGI-SKDRFNHKSA-N 1 2 299.352 1.019 10 5 CDBELO O=[N+]([O-])c1ccc(SCC[NH+]2CCOCC2)cn1 ZINC000450233090 251185520 /nfs/dbraw/zinc/18/55/20/251185520.db2.gz NKLUCPDSLKAFEO-UHFFFAOYSA-N 1 2 269.326 1.414 10 5 CDBELO CC[N@H+](CCOC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338923533 390675106 /nfs/dbraw/zinc/67/51/06/390675106.db2.gz FBOZKRMAGCQLTD-UHFFFAOYSA-N 1 2 254.286 1.769 10 5 CDBELO CC[N@@H+](CCOC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338923533 390675110 /nfs/dbraw/zinc/67/51/10/390675110.db2.gz FBOZKRMAGCQLTD-UHFFFAOYSA-N 1 2 254.286 1.769 10 5 CDBELO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412065608 391103769 /nfs/dbraw/zinc/10/37/69/391103769.db2.gz FWRFHLNDLHFHIT-ZWNOBZJWSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412065608 391103774 /nfs/dbraw/zinc/10/37/74/391103774.db2.gz FWRFHLNDLHFHIT-ZWNOBZJWSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412093318 391122445 /nfs/dbraw/zinc/12/24/45/391122445.db2.gz QWNOYVAABISKRJ-SMDDNHRTSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412093318 391122450 /nfs/dbraw/zinc/12/24/50/391122450.db2.gz QWNOYVAABISKRJ-SMDDNHRTSA-N 1 2 296.323 1.055 10 5 CDBELO C[NH2+]CCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000519771913 391219605 /nfs/dbraw/zinc/21/96/05/391219605.db2.gz PKWNJZGXQUWYKC-UHFFFAOYSA-N 1 2 253.258 1.239 10 5 CDBELO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282040154 393170095 /nfs/dbraw/zinc/17/00/95/393170095.db2.gz FXTGZPBOFIEQNM-LLVKDONJSA-N 1 2 277.324 1.300 10 5 CDBELO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282040154 393170099 /nfs/dbraw/zinc/17/00/99/393170099.db2.gz FXTGZPBOFIEQNM-LLVKDONJSA-N 1 2 277.324 1.300 10 5 CDBELO CCNC(=O)C1C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000362848860 159251129 /nfs/dbraw/zinc/25/11/29/159251129.db2.gz DEPNPMZLRKQINP-UHFFFAOYSA-N 1 2 269.326 1.224 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCCn1cc[nH+]c1 ZINC000514679118 280839498 /nfs/dbraw/zinc/83/94/98/280839498.db2.gz IELIDFYWGNVMCB-UHFFFAOYSA-N 1 2 262.269 1.912 10 5 CDBELO O=[N+]([O-])c1ccc(Cc2noc(Cn3cc[nH+]c3)n2)nc1 ZINC000517640143 281009669 /nfs/dbraw/zinc/00/96/69/281009669.db2.gz MKVIYIWXIGXHJF-UHFFFAOYSA-N 1 2 286.251 1.208 10 5 CDBELO CCCCNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153146592 289159022 /nfs/dbraw/zinc/15/90/22/289159022.db2.gz IXNXIWHTOQUYAK-UHFFFAOYSA-N 1 2 291.351 1.869 10 5 CDBELO CCCCNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153146592 289159024 /nfs/dbraw/zinc/15/90/24/289159024.db2.gz IXNXIWHTOQUYAK-UHFFFAOYSA-N 1 2 291.351 1.869 10 5 CDBELO C[C@H]1CC[N@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000552285949 290063411 /nfs/dbraw/zinc/06/34/11/290063411.db2.gz HAEORRSTRJFCPP-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO C[C@H]1CC[N@@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000552285949 290063414 /nfs/dbraw/zinc/06/34/14/290063414.db2.gz HAEORRSTRJFCPP-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO Cc1cc(SC[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000577367968 317314938 /nfs/dbraw/zinc/31/49/38/317314938.db2.gz GOOUPMDNNOYZIL-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO Cc1cc(SC[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000577367968 317314940 /nfs/dbraw/zinc/31/49/40/317314940.db2.gz GOOUPMDNNOYZIL-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356873 522507915 /nfs/dbraw/zinc/50/79/15/522507915.db2.gz AMHULJFLWMMHAF-AWEZNQCLSA-N 1 2 280.324 1.750 10 5 CDBELO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356873 522507921 /nfs/dbraw/zinc/50/79/21/522507921.db2.gz AMHULJFLWMMHAF-AWEZNQCLSA-N 1 2 280.324 1.750 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000183242402 525563449 /nfs/dbraw/zinc/56/34/49/525563449.db2.gz BQHSZOMCBYXHGY-UHFFFAOYSA-N 1 2 277.324 1.614 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000183242402 525563461 /nfs/dbraw/zinc/56/34/61/525563461.db2.gz BQHSZOMCBYXHGY-UHFFFAOYSA-N 1 2 277.324 1.614 10 5 CDBELO O=C(NCC[NH+]1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560879 526307693 /nfs/dbraw/zinc/30/76/93/526307693.db2.gz QYGMTVCMXVGGOT-UHFFFAOYSA-N 1 2 293.323 1.516 10 5 CDBELO O=[N+]([O-])c1ncccc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC001170551838 1162849605 /nfs/dbraw/zinc/84/96/05/1162849605.db2.gz ZZLZVNCFJCXNEM-CYBMUJFWSA-N 1 2 291.282 1.952 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1F ZINC001641433034 1167107347 /nfs/dbraw/zinc/10/73/47/1167107347.db2.gz GBHUPRDEOGEJJH-NSHDSACASA-N 1 2 290.254 1.805 10 5 CDBELO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001658176652 1172020585 /nfs/dbraw/zinc/02/05/85/1172020585.db2.gz OBSGXXBRWGMDSZ-LLVKDONJSA-N 1 2 296.302 1.237 10 5 CDBELO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001658176652 1172020594 /nfs/dbraw/zinc/02/05/94/1172020594.db2.gz OBSGXXBRWGMDSZ-LLVKDONJSA-N 1 2 296.302 1.237 10 5 CDBELO CCc1nn(C)c(N[C@@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928233 711853741 /nfs/dbraw/zinc/85/37/41/711853741.db2.gz UODKWZTUOMOUAI-SNVBAGLBSA-N 1 2 299.350 1.737 10 5 CDBELO CCc1nn(C)c(N[C@@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928233 711853742 /nfs/dbraw/zinc/85/37/42/711853742.db2.gz UODKWZTUOMOUAI-SNVBAGLBSA-N 1 2 299.350 1.737 10 5 CDBELO CC(=O)C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000852126085 711954643 /nfs/dbraw/zinc/95/46/43/711954643.db2.gz UNQITYKLCSIUPC-UHFFFAOYSA-N 1 2 267.285 1.692 10 5 CDBELO CC[C@](C)(C(=O)OC)[N@H+](CC[N+](=O)[O-])CC1CC1 ZINC000930759631 712355088 /nfs/dbraw/zinc/35/50/88/712355088.db2.gz CGQOGQOIPNJQRQ-GFCCVEGCSA-N 1 2 258.318 1.317 10 5 CDBELO CC[C@](C)(C(=O)OC)[N@@H+](CC[N+](=O)[O-])CC1CC1 ZINC000930759631 712355089 /nfs/dbraw/zinc/35/50/89/712355089.db2.gz CGQOGQOIPNJQRQ-GFCCVEGCSA-N 1 2 258.318 1.317 10 5 CDBELO CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NC ZINC000872077639 1165376447 /nfs/dbraw/zinc/37/64/47/1165376447.db2.gz KNVBYJYLOMAZMM-PSASIEDQSA-N 1 2 283.303 1.909 10 5 CDBELO CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001135585438 930272382 /nfs/dbraw/zinc/27/23/82/930272382.db2.gz RNOADCUUOCPWNY-UHFFFAOYSA-N 1 2 274.280 1.920 10 5 CDBELO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241818 936033865 /nfs/dbraw/zinc/03/38/65/936033865.db2.gz AYSQXFRNPWZYPL-SNVBAGLBSA-N 1 2 285.275 1.134 10 5 CDBELO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241818 936033866 /nfs/dbraw/zinc/03/38/66/936033866.db2.gz AYSQXFRNPWZYPL-SNVBAGLBSA-N 1 2 285.275 1.134 10 5 CDBELO CC(C)c1[nH]cc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])[nH+]1 ZINC001558561435 965317442 /nfs/dbraw/zinc/31/74/42/965317442.db2.gz ROYNRTQDHQXTLA-UHFFFAOYSA-N 1 2 292.299 1.105 10 5 CDBELO CC(C)c1[nH]c(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c[nH+]1 ZINC001558561435 965317444 /nfs/dbraw/zinc/31/74/44/965317444.db2.gz ROYNRTQDHQXTLA-UHFFFAOYSA-N 1 2 292.299 1.105 10 5 CDBELO O=C(Cc1[nH]cc[nH+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001540698089 967162756 /nfs/dbraw/zinc/16/27/56/967162756.db2.gz BDWRRNNZALUDHN-UHFFFAOYSA-N 1 2 272.264 1.450 10 5 CDBELO COc1cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611516848 346807715 /nfs/dbraw/zinc/80/77/15/346807715.db2.gz UZYIGIVYXZFAQT-JTQLQIEISA-N 1 2 293.323 1.314 10 5 CDBELO COc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000611516848 346807717 /nfs/dbraw/zinc/80/77/17/346807717.db2.gz UZYIGIVYXZFAQT-JTQLQIEISA-N 1 2 293.323 1.314 10 5 CDBELO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590447465 342546747 /nfs/dbraw/zinc/54/67/47/342546747.db2.gz XRBKSOCTCWNOPZ-ZANVPECISA-N 1 2 291.307 1.077 10 5 CDBELO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590447465 342546748 /nfs/dbraw/zinc/54/67/48/342546748.db2.gz XRBKSOCTCWNOPZ-ZANVPECISA-N 1 2 291.307 1.077 10 5 CDBELO CC(C)([NH3+])CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258130 342683384 /nfs/dbraw/zinc/68/33/84/342683384.db2.gz LSGZVPUAJHCDBI-UHFFFAOYSA-N 1 2 253.258 1.366 10 5 CDBELO C[C@H](CNc1ccncc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380056 342222455 /nfs/dbraw/zinc/22/24/55/342222455.db2.gz GKSMJJNIJFHCFN-SNVBAGLBSA-N 1 2 261.285 1.935 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595434260 343059993 /nfs/dbraw/zinc/05/99/93/343059993.db2.gz ZIXGEIJKHICOGC-CQSZACIVSA-N 1 2 295.314 1.964 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595434260 343059994 /nfs/dbraw/zinc/05/99/94/343059994.db2.gz ZIXGEIJKHICOGC-CQSZACIVSA-N 1 2 295.314 1.964 10 5 CDBELO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595482021 343065209 /nfs/dbraw/zinc/06/52/09/343065209.db2.gz RFVCQWKNHJMKSL-JTQLQIEISA-N 1 2 285.300 1.129 10 5 CDBELO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595482021 343065211 /nfs/dbraw/zinc/06/52/11/343065211.db2.gz RFVCQWKNHJMKSL-JTQLQIEISA-N 1 2 285.300 1.129 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000598649068 343858159 /nfs/dbraw/zinc/85/81/59/343858159.db2.gz UZYZMHDWNAOERZ-PWSUYJOCSA-N 1 2 280.324 1.751 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000598649068 343858161 /nfs/dbraw/zinc/85/81/61/343858161.db2.gz UZYZMHDWNAOERZ-PWSUYJOCSA-N 1 2 280.324 1.751 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[N+](=O)[O-] ZINC000599638878 344110870 /nfs/dbraw/zinc/11/08/70/344110870.db2.gz XJHJAJIDAWLQJC-ARNPGYACSA-N 1 2 299.352 1.377 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[N+](=O)[O-] ZINC000599638878 344110872 /nfs/dbraw/zinc/11/08/72/344110872.db2.gz XJHJAJIDAWLQJC-ARNPGYACSA-N 1 2 299.352 1.377 10 5 CDBELO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293411314 362558325 /nfs/dbraw/zinc/55/83/25/362558325.db2.gz MLIMOMJLGZEVKP-ZJUUUORDSA-N 1 2 263.297 1.874 10 5 CDBELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293411314 362558328 /nfs/dbraw/zinc/55/83/28/362558328.db2.gz MLIMOMJLGZEVKP-ZJUUUORDSA-N 1 2 263.297 1.874 10 5 CDBELO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000286986316 358063389 /nfs/dbraw/zinc/06/33/89/358063389.db2.gz JHGDRRIJVIQSSY-SECBINFHSA-N 1 2 261.285 1.574 10 5 CDBELO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597702190 358693042 /nfs/dbraw/zinc/69/30/42/358693042.db2.gz YXKNHPXMUMYRSY-MWLCHTKSSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000339098680 359288552 /nfs/dbraw/zinc/28/85/52/359288552.db2.gz DHBITBFTGFNLSQ-NOZJJQNGSA-N 1 2 293.323 1.386 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000339098680 359288554 /nfs/dbraw/zinc/28/85/54/359288554.db2.gz DHBITBFTGFNLSQ-NOZJJQNGSA-N 1 2 293.323 1.386 10 5 CDBELO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339150910 359305058 /nfs/dbraw/zinc/30/50/58/359305058.db2.gz YPUITXAYLQYJPN-ZWNOBZJWSA-N 1 2 296.323 1.272 10 5 CDBELO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339150910 359305061 /nfs/dbraw/zinc/30/50/61/359305061.db2.gz YPUITXAYLQYJPN-ZWNOBZJWSA-N 1 2 296.323 1.272 10 5 CDBELO Cc1cc(NC[C@H]2C[N@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000292619877 239270229 /nfs/dbraw/zinc/27/02/29/239270229.db2.gz NJUWUUDCXNLGKO-JTQLQIEISA-N 1 2 283.303 1.785 10 5 CDBELO Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000292619877 239270231 /nfs/dbraw/zinc/27/02/31/239270231.db2.gz NJUWUUDCXNLGKO-JTQLQIEISA-N 1 2 283.303 1.785 10 5 CDBELO Cc1nn(C)c(SC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000573114635 365179102 /nfs/dbraw/zinc/17/91/02/365179102.db2.gz BDYMVIQEYSAWBJ-SECBINFHSA-N 1 2 286.357 1.059 10 5 CDBELO Cc1nn(C)c(SC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000573114635 365179110 /nfs/dbraw/zinc/17/91/10/365179110.db2.gz BDYMVIQEYSAWBJ-SECBINFHSA-N 1 2 286.357 1.059 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000543791641 374741703 /nfs/dbraw/zinc/74/17/03/374741703.db2.gz PXUXZEKIMFEBQD-GFCCVEGCSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000543791641 374741708 /nfs/dbraw/zinc/74/17/08/374741708.db2.gz PXUXZEKIMFEBQD-GFCCVEGCSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)NCC1(C)C ZINC000282873032 390523387 /nfs/dbraw/zinc/52/33/87/390523387.db2.gz YBKXELLRGYENND-UHFFFAOYSA-N 1 2 277.324 1.614 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)NCC1(C)C ZINC000282873032 390523391 /nfs/dbraw/zinc/52/33/91/390523391.db2.gz YBKXELLRGYENND-UHFFFAOYSA-N 1 2 277.324 1.614 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000411912562 390968686 /nfs/dbraw/zinc/96/86/86/390968686.db2.gz MBWYEFPYXWAEBR-UHFFFAOYSA-N 1 2 281.287 1.444 10 5 CDBELO CC(C)[N@H+](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000232625740 391357468 /nfs/dbraw/zinc/35/74/68/391357468.db2.gz NTQONDMNYRNVMA-UHFFFAOYSA-N 1 2 281.312 1.370 10 5 CDBELO CC(C)[N@@H+](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000232625740 391357469 /nfs/dbraw/zinc/35/74/69/391357469.db2.gz NTQONDMNYRNVMA-UHFFFAOYSA-N 1 2 281.312 1.370 10 5 CDBELO C[C@@H]1CCOCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362232298 159101650 /nfs/dbraw/zinc/10/16/50/159101650.db2.gz BLJWPPDCYFAFCY-LLVKDONJSA-N 1 2 293.323 1.644 10 5 CDBELO C[C@@H]1CCOCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362232298 159101653 /nfs/dbraw/zinc/10/16/53/159101653.db2.gz BLJWPPDCYFAFCY-LLVKDONJSA-N 1 2 293.323 1.644 10 5 CDBELO CCNC(=O)C[N@H+](C)Cc1ccc(NCC)c([N+](=O)[O-])c1 ZINC000050816406 521736192 /nfs/dbraw/zinc/73/61/92/521736192.db2.gz ZSHYYYRNGMFLGJ-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCNC(=O)C[N@@H+](C)Cc1ccc(NCC)c([N+](=O)[O-])c1 ZINC000050816406 521736193 /nfs/dbraw/zinc/73/61/93/521736193.db2.gz ZSHYYYRNGMFLGJ-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCNC(=O)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817804 521736573 /nfs/dbraw/zinc/73/65/73/521736573.db2.gz TWTGCSZKDPWYMG-UHFFFAOYSA-N 1 2 280.328 1.135 10 5 CDBELO CCNC(=O)C[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817804 521736574 /nfs/dbraw/zinc/73/65/74/521736574.db2.gz TWTGCSZKDPWYMG-UHFFFAOYSA-N 1 2 280.328 1.135 10 5 CDBELO CNc1[nH+]cccc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000052732858 522712073 /nfs/dbraw/zinc/71/20/73/522712073.db2.gz XOAWXIFVQGDVEA-UHFFFAOYSA-N 1 2 260.253 1.242 10 5 CDBELO CC[C@@H]([NH2+][C@H](C)c1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000189855598 535808807 /nfs/dbraw/zinc/80/88/07/535808807.db2.gz XEZNCUAPILRUKK-BXKDBHETSA-N 1 2 290.327 1.920 10 5 CDBELO Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(N)c1[N+](=O)[O-] ZINC001653214469 1171518408 /nfs/dbraw/zinc/51/84/08/1171518408.db2.gz HSFGDHPWDXQSNM-UHFFFAOYSA-N 1 2 275.268 1.321 10 5 CDBELO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)N(C)C ZINC000872049721 1165375199 /nfs/dbraw/zinc/37/51/99/1165375199.db2.gz UTDXSFFJPMLNIY-DTWKUNHWSA-N 1 2 283.303 1.861 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000839633088 936917002 /nfs/dbraw/zinc/91/70/02/936917002.db2.gz KYAKUDDNWFPPQL-UHFFFAOYSA-N 1 2 297.742 1.959 10 5 CDBELO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000712300166 927267507 /nfs/dbraw/zinc/26/75/07/927267507.db2.gz ROSAOGDZZOTWSC-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000712300166 927267515 /nfs/dbraw/zinc/26/75/15/927267515.db2.gz ROSAOGDZZOTWSC-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991249 928793320 /nfs/dbraw/zinc/79/33/20/928793320.db2.gz HJNLXYVTUCSREB-SECBINFHSA-N 1 2 275.268 1.005 10 5 CDBELO O=C(OCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cn1 ZINC000784152590 937293194 /nfs/dbraw/zinc/29/31/94/937293194.db2.gz NFZIDLPHJLYUCJ-UHFFFAOYSA-N 1 2 276.252 1.433 10 5 CDBELO CN(C)c1cc[nH+]c(CNc2nn(C)cc2[N+](=O)[O-])c1 ZINC001559281261 965425695 /nfs/dbraw/zinc/42/56/95/965425695.db2.gz NLEKYYIUFYSLDD-UHFFFAOYSA-N 1 2 276.300 1.401 10 5 CDBELO Cc1c[nH+]cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001537603202 969660662 /nfs/dbraw/zinc/66/06/62/969660662.db2.gz BKKSLIGUGZWDJC-UHFFFAOYSA-N 1 2 272.264 1.676 10 5 CDBELO Cc1cc(N[C@H](CO)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000601177635 342487151 /nfs/dbraw/zinc/48/71/51/342487151.db2.gz YIXWNWDUPQXJOC-ZDUSSCGKSA-N 1 2 295.339 1.008 10 5 CDBELO COC(=O)C12CC(C1)C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000595678007 343129905 /nfs/dbraw/zinc/12/99/05/343129905.db2.gz NYVDMZKZVGNVSB-UHFFFAOYSA-N 1 2 276.292 1.732 10 5 CDBELO COC(=O)C12CC(C1)C[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000595678007 343129907 /nfs/dbraw/zinc/12/99/07/343129907.db2.gz NYVDMZKZVGNVSB-UHFFFAOYSA-N 1 2 276.292 1.732 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(NCCn2cc[nH+]c2)c1 ZINC000136294450 362965102 /nfs/dbraw/zinc/96/51/02/362965102.db2.gz GZFMYIBUDQYMQV-UHFFFAOYSA-N 1 2 290.279 1.690 10 5 CDBELO C[C@@H]1SCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000408311528 359023686 /nfs/dbraw/zinc/02/36/86/359023686.db2.gz ZLXHAXGLKRSCTF-IUCAKERBSA-N 1 2 270.358 1.654 10 5 CDBELO C[C@@H]1SCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000408311528 359023688 /nfs/dbraw/zinc/02/36/88/359023688.db2.gz ZLXHAXGLKRSCTF-IUCAKERBSA-N 1 2 270.358 1.654 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248956905 374307589 /nfs/dbraw/zinc/30/75/89/374307589.db2.gz FXVRRBMSSCYWSZ-JTNHKYCSSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000248956905 374307594 /nfs/dbraw/zinc/30/75/94/374307594.db2.gz FXVRRBMSSCYWSZ-JTNHKYCSSA-N 1 2 280.324 1.737 10 5 CDBELO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000226039025 375259172 /nfs/dbraw/zinc/25/91/72/375259172.db2.gz FYHAZNKWNXXXAE-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000226039025 375259179 /nfs/dbraw/zinc/25/91/79/375259179.db2.gz FYHAZNKWNXXXAE-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO Cn1c[nH+]cc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000357589823 375919705 /nfs/dbraw/zinc/91/97/05/375919705.db2.gz AJTOFPYSZCCZIJ-UHFFFAOYSA-N 1 2 278.297 1.650 10 5 CDBELO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490040350 253024730 /nfs/dbraw/zinc/02/47/30/253024730.db2.gz DQXKHXSERXBXHD-NSHDSACASA-N 1 2 286.353 1.894 10 5 CDBELO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490040350 253024731 /nfs/dbraw/zinc/02/47/31/253024731.db2.gz DQXKHXSERXBXHD-NSHDSACASA-N 1 2 286.353 1.894 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185946824 391079151 /nfs/dbraw/zinc/07/91/51/391079151.db2.gz JKBAMGFLGAIMPI-AWEZNQCLSA-N 1 2 295.314 1.964 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185946824 391079154 /nfs/dbraw/zinc/07/91/54/391079154.db2.gz JKBAMGFLGAIMPI-AWEZNQCLSA-N 1 2 295.314 1.964 10 5 CDBELO Cn1c[nH+]c(CCNc2ncc([N+](=O)[O-])s2)c1 ZINC000313475570 392948954 /nfs/dbraw/zinc/94/89/54/392948954.db2.gz UGGRMLDPWXWLPX-UHFFFAOYSA-N 1 2 253.287 1.439 10 5 CDBELO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000189090359 397729022 /nfs/dbraw/zinc/72/90/22/397729022.db2.gz KOWHUYVONPZUTG-LLVKDONJSA-N 1 2 277.324 1.614 10 5 CDBELO Cc1ccc(C[N@H+]2CCCNC(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000189090359 397729024 /nfs/dbraw/zinc/72/90/24/397729024.db2.gz KOWHUYVONPZUTG-LLVKDONJSA-N 1 2 277.324 1.614 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000353863976 156131316 /nfs/dbraw/zinc/13/13/16/156131316.db2.gz HEUMDRWKVUWJJF-NSHDSACASA-N 1 2 277.324 1.647 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000353863976 156131318 /nfs/dbraw/zinc/13/13/18/156131318.db2.gz HEUMDRWKVUWJJF-NSHDSACASA-N 1 2 277.324 1.647 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnc(C)n1 ZINC000038038074 174038507 /nfs/dbraw/zinc/03/85/07/174038507.db2.gz UQZBVPZZFOFJBF-UHFFFAOYSA-N 1 2 288.307 1.992 10 5 CDBELO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CSC[NH2+]1 ZINC000043474407 175054121 /nfs/dbraw/zinc/05/41/21/175054121.db2.gz XTIJSLNUKWCRNN-VIFPVBQESA-N 1 2 271.273 1.335 10 5 CDBELO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235727961 280127854 /nfs/dbraw/zinc/12/78/54/280127854.db2.gz QQTRYGVXRZBDHF-VIFPVBQESA-N 1 2 279.296 1.077 10 5 CDBELO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235727961 280127855 /nfs/dbraw/zinc/12/78/55/280127855.db2.gz QQTRYGVXRZBDHF-VIFPVBQESA-N 1 2 279.296 1.077 10 5 CDBELO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000234262520 289316203 /nfs/dbraw/zinc/31/62/03/289316203.db2.gz ZZPYZFDMKWBBDH-SECBINFHSA-N 1 2 279.296 1.077 10 5 CDBELO C[NH+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185068761 289384736 /nfs/dbraw/zinc/38/47/36/289384736.db2.gz QONNDPICXBJPOJ-JTQLQIEISA-N 1 2 279.296 1.077 10 5 CDBELO O=[N+]([O-])c1ccc(-c2noc(Cn3cc[nH+]c3)n2)s1 ZINC000568815699 294104019 /nfs/dbraw/zinc/10/40/19/294104019.db2.gz ZHYUDFWZFUQOKZ-UHFFFAOYSA-N 1 2 277.265 1.951 10 5 CDBELO CCCNc1ccc(C[N@H+](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000050813430 520155367 /nfs/dbraw/zinc/15/53/67/520155367.db2.gz RNQLJEPVARMGSO-UHFFFAOYSA-N 1 2 280.328 1.334 10 5 CDBELO CCCNc1ccc(C[N@@H+](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000050813430 520155374 /nfs/dbraw/zinc/15/53/74/520155374.db2.gz RNQLJEPVARMGSO-UHFFFAOYSA-N 1 2 280.328 1.334 10 5 CDBELO CCc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])s2)c[nH+]1 ZINC001652460844 1171437503 /nfs/dbraw/zinc/43/75/03/1171437503.db2.gz OIMUTUSTWDUJDH-UHFFFAOYSA-N 1 2 280.309 1.872 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])s2)[nH+]1 ZINC001652460844 1171437513 /nfs/dbraw/zinc/43/75/13/1171437513.db2.gz OIMUTUSTWDUJDH-UHFFFAOYSA-N 1 2 280.309 1.872 10 5 CDBELO C[C@H]1CCN(c2nn(C)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC001655263782 1171682419 /nfs/dbraw/zinc/68/24/19/1171682419.db2.gz NNIQYDBFMXBMJL-QWRGUYRKSA-N 1 2 290.327 1.612 10 5 CDBELO Cc1nc(N[C@@H]2CCC[N@H+](CCF)C2)ncc1[N+](=O)[O-] ZINC001331904489 957323902 /nfs/dbraw/zinc/32/39/02/957323902.db2.gz AKQSHWKJFNATTJ-SNVBAGLBSA-N 1 2 283.307 1.539 10 5 CDBELO Cc1nc(N[C@@H]2CCC[N@@H+](CCF)C2)ncc1[N+](=O)[O-] ZINC001331904489 957323912 /nfs/dbraw/zinc/32/39/12/957323912.db2.gz AKQSHWKJFNATTJ-SNVBAGLBSA-N 1 2 283.307 1.539 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NCc2[nH]c3c([nH+]2)CCCC3)n1 ZINC001655890301 1171735860 /nfs/dbraw/zinc/73/58/60/1171735860.db2.gz QQEUVWQROXEPFV-UHFFFAOYSA-N 1 2 276.300 1.542 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000592257486 342683497 /nfs/dbraw/zinc/68/34/97/342683497.db2.gz GNXOCXOYKYXAMX-RNCFNFMXSA-N 1 2 277.280 1.239 10 5 CDBELO CO[C@@](C)(CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000594587907 342921899 /nfs/dbraw/zinc/92/18/99/342921899.db2.gz AZFFZXYHIYLUFS-CQSZACIVSA-N 1 2 291.307 1.952 10 5 CDBELO C[C@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595731459 343134172 /nfs/dbraw/zinc/13/41/72/343134172.db2.gz HBBXOKBIFSJLCQ-UWVGGRQHSA-N 1 2 280.324 1.749 10 5 CDBELO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc([N+](=O)[O-])c1 ZINC000598944661 343925474 /nfs/dbraw/zinc/92/54/74/343925474.db2.gz SMYQYTIELGOGDN-LLVKDONJSA-N 1 2 286.291 1.454 10 5 CDBELO COC[C@@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599690907 344121746 /nfs/dbraw/zinc/12/17/46/344121746.db2.gz BFXYMNNSVWIAEG-CQSZACIVSA-N 1 2 280.324 1.832 10 5 CDBELO COC[C@@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599690907 344121747 /nfs/dbraw/zinc/12/17/47/344121747.db2.gz BFXYMNNSVWIAEG-CQSZACIVSA-N 1 2 280.324 1.832 10 5 CDBELO COC[C@@]1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599694773 344123481 /nfs/dbraw/zinc/12/34/81/344123481.db2.gz UZPZZORQJZTTFY-CQSZACIVSA-N 1 2 280.324 1.832 10 5 CDBELO COC[C@@]1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599694773 344123484 /nfs/dbraw/zinc/12/34/84/344123484.db2.gz UZPZZORQJZTTFY-CQSZACIVSA-N 1 2 280.324 1.832 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293056856 362528073 /nfs/dbraw/zinc/52/80/73/362528073.db2.gz RZXGWELYNMENNN-NXEZZACHSA-N 1 2 293.323 1.882 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000293056856 362528081 /nfs/dbraw/zinc/52/80/81/362528081.db2.gz RZXGWELYNMENNN-NXEZZACHSA-N 1 2 293.323 1.882 10 5 CDBELO Cc1[nH]nc(C(=O)Nc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000609623005 345981436 /nfs/dbraw/zinc/98/14/36/345981436.db2.gz CZZQVSDUFIIRBM-UHFFFAOYSA-N 1 2 286.251 1.526 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000614453108 348115772 /nfs/dbraw/zinc/11/57/72/348115772.db2.gz MYHNVJPLWIPQLZ-LLVKDONJSA-N 1 2 289.295 1.339 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000614453108 348115774 /nfs/dbraw/zinc/11/57/74/348115774.db2.gz MYHNVJPLWIPQLZ-LLVKDONJSA-N 1 2 289.295 1.339 10 5 CDBELO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000124661093 351363706 /nfs/dbraw/zinc/36/37/06/351363706.db2.gz GMMMULKCHCEFBB-UHFFFAOYSA-N 1 2 289.335 1.823 10 5 CDBELO COc1cccc(NC[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185169854 357517115 /nfs/dbraw/zinc/51/71/15/357517115.db2.gz QNAOZBRJFFJCBT-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000112012883 359278662 /nfs/dbraw/zinc/27/86/62/359278662.db2.gz MFQZMJWXBFNLFI-JTQLQIEISA-N 1 2 251.286 1.337 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000112012883 359278665 /nfs/dbraw/zinc/27/86/65/359278665.db2.gz MFQZMJWXBFNLFI-JTQLQIEISA-N 1 2 251.286 1.337 10 5 CDBELO C[NH+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181974746 189311632 /nfs/dbraw/zinc/31/16/32/189311632.db2.gz BVXVMNAGBREIDQ-SNVBAGLBSA-N 1 2 279.296 1.077 10 5 CDBELO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000580449644 363910113 /nfs/dbraw/zinc/91/01/13/363910113.db2.gz WEYAXQHRDPTOJP-UHFFFAOYSA-N 1 2 289.295 1.445 10 5 CDBELO CC[NH+]1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000031907602 375852175 /nfs/dbraw/zinc/85/21/75/375852175.db2.gz LHQGOZFZASABJY-UHFFFAOYSA-N 1 2 263.297 1.549 10 5 CDBELO Cn1c[nH+]cc1Cc1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000357931540 375941535 /nfs/dbraw/zinc/94/15/35/375941535.db2.gz GUGHVQYYFGUPCH-UHFFFAOYSA-N 1 2 299.290 1.893 10 5 CDBELO C[C@@H](O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413144454 391165785 /nfs/dbraw/zinc/16/57/85/391165785.db2.gz PXDXZMDPAJTYOB-SECBINFHSA-N 1 2 261.281 1.748 10 5 CDBELO COc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000352426116 155181303 /nfs/dbraw/zinc/18/13/03/155181303.db2.gz QRVCYYYMWVOICW-UHFFFAOYSA-N 1 2 276.296 1.959 10 5 CDBELO COc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000352426116 155181306 /nfs/dbraw/zinc/18/13/06/155181306.db2.gz QRVCYYYMWVOICW-UHFFFAOYSA-N 1 2 276.296 1.959 10 5 CDBELO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339117356 165060734 /nfs/dbraw/zinc/06/07/34/165060734.db2.gz GKNSTQQQNUNOKY-CABZTGNLSA-N 1 2 294.307 1.684 10 5 CDBELO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339117356 165060737 /nfs/dbraw/zinc/06/07/37/165060737.db2.gz GKNSTQQQNUNOKY-CABZTGNLSA-N 1 2 294.307 1.684 10 5 CDBELO O=c1c([N+](=O)[O-])cccn1Cc1c[nH+]c2ccccn12 ZINC000155947512 289255060 /nfs/dbraw/zinc/25/50/60/289255060.db2.gz JNHROLHCHLKUIL-UHFFFAOYSA-N 1 2 270.248 1.453 10 5 CDBELO COc1cccc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCOCC1 ZINC000577478293 317337283 /nfs/dbraw/zinc/33/72/83/317337283.db2.gz HQURFJREWNGAFV-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO C[NH2+][C@@H](CCOc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000062540283 522349574 /nfs/dbraw/zinc/34/95/74/522349574.db2.gz BRXRWLMWSSQGLZ-JTQLQIEISA-N 1 2 298.295 1.133 10 5 CDBELO C[NH2+][C@@](C)(C[C@@H](C)Oc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000068650979 522415835 /nfs/dbraw/zinc/41/58/35/522415835.db2.gz SFOQXYKQHNAKRL-YGRLFVJLSA-N 1 2 296.323 1.903 10 5 CDBELO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])nc1 ZINC000337125505 522802169 /nfs/dbraw/zinc/80/21/69/522802169.db2.gz IMSDGUIXARLUCX-UHFFFAOYSA-N 1 2 261.285 1.713 10 5 CDBELO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000761101320 576548816 /nfs/dbraw/zinc/54/88/16/576548816.db2.gz YFYZMDRSOPTUES-JOYOIKCWSA-N 1 2 261.281 1.628 10 5 CDBELO O=C(C[N@H+]1CC[C@H]2C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000761101320 576548818 /nfs/dbraw/zinc/54/88/18/576548818.db2.gz YFYZMDRSOPTUES-JOYOIKCWSA-N 1 2 261.281 1.628 10 5 CDBELO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000807271747 678885406 /nfs/dbraw/zinc/88/54/06/678885406.db2.gz LCEOJEKWNWAYGF-SNVBAGLBSA-N 1 2 293.323 1.515 10 5 CDBELO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000807271747 678885410 /nfs/dbraw/zinc/88/54/10/678885410.db2.gz LCEOJEKWNWAYGF-SNVBAGLBSA-N 1 2 293.323 1.515 10 5 CDBELO CCN(C)C(=O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063074 679226087 /nfs/dbraw/zinc/22/60/87/679226087.db2.gz MYWAOPNDNDFIJU-SECBINFHSA-N 1 2 283.303 1.863 10 5 CDBELO C[N@H+](CC[N+](=O)[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000931618557 679546758 /nfs/dbraw/zinc/54/67/58/679546758.db2.gz RAMHUUNPNFZDNY-LBPRGKRZSA-N 1 2 279.296 1.220 10 5 CDBELO C[N@@H+](CC[N+](=O)[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000931618557 679546762 /nfs/dbraw/zinc/54/67/62/679546762.db2.gz RAMHUUNPNFZDNY-LBPRGKRZSA-N 1 2 279.296 1.220 10 5 CDBELO CC(C)(O)[C@@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001615728158 1165558340 /nfs/dbraw/zinc/55/83/40/1165558340.db2.gz LUQLFOOGGZKGOB-LBPRGKRZSA-N 1 2 266.297 1.042 10 5 CDBELO CC(C)(O)[C@@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001615728158 1165558346 /nfs/dbraw/zinc/55/83/46/1165558346.db2.gz LUQLFOOGGZKGOB-LBPRGKRZSA-N 1 2 266.297 1.042 10 5 CDBELO O=C(Cc1[nH]cc[nH+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001294210723 954476151 /nfs/dbraw/zinc/47/61/51/954476151.db2.gz NCRQELNIQATAEB-UHFFFAOYSA-N 1 2 272.264 1.403 10 5 CDBELO Cc1[nH]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC001545360496 967418577 /nfs/dbraw/zinc/41/85/77/967418577.db2.gz XPVVEPBSLJYGTD-UHFFFAOYSA-N 1 2 288.307 1.794 10 5 CDBELO CCc1[nH]c(CNc2c([N+](=O)[O-])c(C)nn2C)c[nH+]1 ZINC001472888847 968972386 /nfs/dbraw/zinc/97/23/86/968972386.db2.gz KVOOLTWZCRYSMG-UHFFFAOYSA-N 1 2 264.289 1.534 10 5 CDBELO CCc1[nH]cc(CNc2c([N+](=O)[O-])c(C)nn2C)[nH+]1 ZINC001472888847 968972394 /nfs/dbraw/zinc/97/23/94/968972394.db2.gz KVOOLTWZCRYSMG-UHFFFAOYSA-N 1 2 264.289 1.534 10 5 CDBELO C[C@H]([C@H](C)Nc1ncc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000601113051 342470690 /nfs/dbraw/zinc/47/06/90/342470690.db2.gz BJKMAWNEHTXVAM-VHSXEESVSA-N 1 2 298.318 1.650 10 5 CDBELO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588070203 342492145 /nfs/dbraw/zinc/49/21/45/342492145.db2.gz OLQFRIKXJQDQKE-VXGBXAGGSA-N 1 2 292.339 1.289 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412061754 365673078 /nfs/dbraw/zinc/67/30/78/365673078.db2.gz AIOQSNANZFARMA-SUNKGSAMSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412061754 365673080 /nfs/dbraw/zinc/67/30/80/365673080.db2.gz AIOQSNANZFARMA-SUNKGSAMSA-N 1 2 280.324 1.737 10 5 CDBELO Cc1nn(Cc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000600542597 342230882 /nfs/dbraw/zinc/23/08/82/342230882.db2.gz DLGUECLTMJSSTP-UHFFFAOYSA-N 1 2 261.285 1.609 10 5 CDBELO CCN1OC[C@@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595483918 343065566 /nfs/dbraw/zinc/06/55/66/343065566.db2.gz JPHQCHKAYRMNDE-CYBMUJFWSA-N 1 2 293.323 1.231 10 5 CDBELO CCN1OC[C@@H]([N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000595483918 343065568 /nfs/dbraw/zinc/06/55/68/343065568.db2.gz JPHQCHKAYRMNDE-CYBMUJFWSA-N 1 2 293.323 1.231 10 5 CDBELO CCNC(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419891 346356895 /nfs/dbraw/zinc/35/68/95/346356895.db2.gz HNAJYZURZZFRBL-JTQLQIEISA-N 1 2 265.313 1.724 10 5 CDBELO CCNC(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419891 346356897 /nfs/dbraw/zinc/35/68/97/346356897.db2.gz HNAJYZURZZFRBL-JTQLQIEISA-N 1 2 265.313 1.724 10 5 CDBELO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC2(F)F)nc1 ZINC000584648795 346506746 /nfs/dbraw/zinc/50/67/46/346506746.db2.gz OZJCNZQUCPREOM-QMMMGPOBSA-N 1 2 259.212 1.366 10 5 CDBELO O=C(Cn1cc[nH+]c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000089307084 349282063 /nfs/dbraw/zinc/28/20/63/349282063.db2.gz DLNJADRJKNXPMH-UHFFFAOYSA-N 1 2 274.280 1.150 10 5 CDBELO Cc1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)no1 ZINC000176206297 358737468 /nfs/dbraw/zinc/73/74/68/358737468.db2.gz IIGUQUYOKXGYLE-UHFFFAOYSA-N 1 2 265.273 1.220 10 5 CDBELO Cc1cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)no1 ZINC000176206297 358737469 /nfs/dbraw/zinc/73/74/69/358737469.db2.gz IIGUQUYOKXGYLE-UHFFFAOYSA-N 1 2 265.273 1.220 10 5 CDBELO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC(F)(F)C[NH2+]1 ZINC000263077884 358954202 /nfs/dbraw/zinc/95/42/02/358954202.db2.gz XEZHPMMMQGNHQJ-SECBINFHSA-N 1 2 285.250 1.208 10 5 CDBELO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000368959469 374340029 /nfs/dbraw/zinc/34/00/29/374340029.db2.gz WAHBSXUILLXMNG-FOGDFJRCSA-N 1 2 295.364 1.742 10 5 CDBELO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000368959469 374340036 /nfs/dbraw/zinc/34/00/36/374340036.db2.gz WAHBSXUILLXMNG-FOGDFJRCSA-N 1 2 295.364 1.742 10 5 CDBELO CCC1(C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)COC1 ZINC000450847442 251505899 /nfs/dbraw/zinc/50/58/99/251505899.db2.gz ROYOFPNTUNDUDO-UHFFFAOYSA-N 1 2 276.296 1.732 10 5 CDBELO NC(=O)c1coc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000189422647 279948258 /nfs/dbraw/zinc/94/82/58/279948258.db2.gz HTKCVIQCLNTEQJ-UHFFFAOYSA-N 1 2 275.264 1.577 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421010234 280369290 /nfs/dbraw/zinc/36/92/90/280369290.db2.gz CIMWSKBQFAGLBO-ZDUSSCGKSA-N 1 2 264.281 1.665 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421010234 280369291 /nfs/dbraw/zinc/36/92/91/280369291.db2.gz CIMWSKBQFAGLBO-ZDUSSCGKSA-N 1 2 264.281 1.665 10 5 CDBELO Cc1nc(N(C)C)nc(NCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000532626271 282011200 /nfs/dbraw/zinc/01/12/00/282011200.db2.gz MJYPICBLZWQMPT-UHFFFAOYSA-N 1 2 288.311 1.188 10 5 CDBELO Cc1nc(NCc2cccc([N+](=O)[O-])c2)nc(N(C)C)[nH+]1 ZINC000532626271 282011202 /nfs/dbraw/zinc/01/12/02/282011202.db2.gz MJYPICBLZWQMPT-UHFFFAOYSA-N 1 2 288.311 1.188 10 5 CDBELO CN1CC[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153181645 289159571 /nfs/dbraw/zinc/15/95/71/289159571.db2.gz CPJUMGWACRQRKN-ZDUSSCGKSA-N 1 2 275.308 1.184 10 5 CDBELO CN1CC[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153181645 289159575 /nfs/dbraw/zinc/15/95/75/289159575.db2.gz CPJUMGWACRQRKN-ZDUSSCGKSA-N 1 2 275.308 1.184 10 5 CDBELO CCNc1[nH+]cccc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000052732855 520377804 /nfs/dbraw/zinc/37/78/04/520377804.db2.gz ZGURFERHPARFJD-UHFFFAOYSA-N 1 2 274.280 1.632 10 5 CDBELO Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000050649705 527461581 /nfs/dbraw/zinc/46/15/81/527461581.db2.gz XLTJCEHPNUJJCP-UHFFFAOYSA-N 1 2 294.292 1.373 10 5 CDBELO C[S@](=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000771143774 575552652 /nfs/dbraw/zinc/55/26/52/575552652.db2.gz FBZHUWUNLOKQCN-FQEVSTJZSA-N 1 2 297.380 1.095 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@H]1CCO ZINC000762337004 576640100 /nfs/dbraw/zinc/64/01/00/576640100.db2.gz FBGWOCQKNQUYRX-GFCCVEGCSA-N 1 2 296.323 1.057 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@H]1CCO ZINC000762337004 576640101 /nfs/dbraw/zinc/64/01/01/576640101.db2.gz FBGWOCQKNQUYRX-GFCCVEGCSA-N 1 2 296.323 1.057 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnn(C)n1 ZINC000808415469 682361452 /nfs/dbraw/zinc/36/14/52/682361452.db2.gz DNUGLBYSBHFFPH-UHFFFAOYSA-N 1 2 261.285 1.322 10 5 CDBELO COc1c(C)c[nH+]c(Cn2ncc([N+](=O)[O-])n2)c1C ZINC000863374182 683294939 /nfs/dbraw/zinc/29/49/39/683294939.db2.gz KHWQQPOJVTZDDP-UHFFFAOYSA-N 1 2 263.257 1.255 10 5 CDBELO CNc1cc(CNc2ncc([N+](=O)[O-])c(C)n2)cc[nH+]1 ZINC001651440548 1171323513 /nfs/dbraw/zinc/32/35/13/1171323513.db2.gz CXKMMXXQTSVAHI-UHFFFAOYSA-N 1 2 274.284 1.742 10 5 CDBELO CN(CCCNc1ccncc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001163997052 939377064 /nfs/dbraw/zinc/37/70/64/939377064.db2.gz WEXPNBKQPWLZEY-UHFFFAOYSA-N 1 2 287.323 1.745 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000601177654 342487200 /nfs/dbraw/zinc/48/72/00/342487200.db2.gz YVDVEYNHKDEWAO-GFCCVEGCSA-N 1 2 295.339 1.008 10 5 CDBELO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000590445677 342546550 /nfs/dbraw/zinc/54/65/50/342546550.db2.gz QNIMHOHLCXHBIQ-ONGXEEELSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000590445677 342546551 /nfs/dbraw/zinc/54/65/51/342546551.db2.gz QNIMHOHLCXHBIQ-ONGXEEELSA-N 1 2 291.307 1.077 10 5 CDBELO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258559 342683479 /nfs/dbraw/zinc/68/34/79/342683479.db2.gz UBVIXDFPFFVMEY-GFCCVEGCSA-N 1 2 267.285 1.756 10 5 CDBELO COCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595481017 343065199 /nfs/dbraw/zinc/06/51/99/343065199.db2.gz MWVWFEAMWLHHHS-CYBMUJFWSA-N 1 2 298.314 1.971 10 5 CDBELO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595481017 343065201 /nfs/dbraw/zinc/06/52/01/343065201.db2.gz MWVWFEAMWLHHHS-CYBMUJFWSA-N 1 2 298.314 1.971 10 5 CDBELO O=[N+]([O-])c1ccc2c(cnn2CC[NH+]2CCOCC2)c1 ZINC000114012130 342440008 /nfs/dbraw/zinc/44/00/08/342440008.db2.gz VBQAEURRSMNCFL-UHFFFAOYSA-N 1 2 276.296 1.277 10 5 CDBELO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596817872 343399441 /nfs/dbraw/zinc/39/94/41/343399441.db2.gz ULWJDWMFAFNYRB-MRVPVSSYSA-N 1 2 290.283 1.028 10 5 CDBELO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597534712 343568185 /nfs/dbraw/zinc/56/81/85/343568185.db2.gz YFLIAOVWTZUOIT-GHMZBOCLSA-N 1 2 293.323 1.513 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(NCC[NH+]3CCOCC3)nc2c1 ZINC000105797160 186071795 /nfs/dbraw/zinc/07/17/95/186071795.db2.gz WZWWTYXLAHYPHM-UHFFFAOYSA-N 1 2 291.311 1.215 10 5 CDBELO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000567784064 358734719 /nfs/dbraw/zinc/73/47/19/358734719.db2.gz CZDWPVKZRFPXIA-SNVBAGLBSA-N 1 2 285.250 1.208 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1F ZINC000366975324 364448434 /nfs/dbraw/zinc/44/84/34/364448434.db2.gz KUNRZEQXAZENKA-GFCCVEGCSA-N 1 2 295.314 1.250 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1F ZINC000366975324 364448441 /nfs/dbraw/zinc/44/84/41/364448441.db2.gz KUNRZEQXAZENKA-GFCCVEGCSA-N 1 2 295.314 1.250 10 5 CDBELO Cc1c(C[N@H+]2CCCN(C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000191120415 373450466 /nfs/dbraw/zinc/45/04/66/373450466.db2.gz OLLGBZITEGEMHC-UHFFFAOYSA-N 1 2 277.324 1.567 10 5 CDBELO Cc1c(C[N@@H+]2CCCN(C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000191120415 373450471 /nfs/dbraw/zinc/45/04/71/373450471.db2.gz OLLGBZITEGEMHC-UHFFFAOYSA-N 1 2 277.324 1.567 10 5 CDBELO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275230519 374693751 /nfs/dbraw/zinc/69/37/51/374693751.db2.gz MSMJZQGMMKMTHC-LLVKDONJSA-N 1 2 278.308 1.885 10 5 CDBELO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275230519 374693758 /nfs/dbraw/zinc/69/37/58/374693758.db2.gz MSMJZQGMMKMTHC-LLVKDONJSA-N 1 2 278.308 1.885 10 5 CDBELO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CO ZINC000330451181 374854198 /nfs/dbraw/zinc/85/41/98/374854198.db2.gz JTZCWIVHVCWWIJ-QMTHXVAHSA-N 1 2 280.324 1.893 10 5 CDBELO C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CO ZINC000330451181 374854209 /nfs/dbraw/zinc/85/42/09/374854209.db2.gz JTZCWIVHVCWWIJ-QMTHXVAHSA-N 1 2 280.324 1.893 10 5 CDBELO C[C@H](CN1CCOCC1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000279779531 374959307 /nfs/dbraw/zinc/95/93/07/374959307.db2.gz UGIRAHBEZIMKCL-LLVKDONJSA-N 1 2 299.396 1.809 10 5 CDBELO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000279779531 374959314 /nfs/dbraw/zinc/95/93/14/374959314.db2.gz UGIRAHBEZIMKCL-LLVKDONJSA-N 1 2 299.396 1.809 10 5 CDBELO C[C@H](C[NH+]1CCOCC1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000279779531 374959321 /nfs/dbraw/zinc/95/93/21/374959321.db2.gz UGIRAHBEZIMKCL-LLVKDONJSA-N 1 2 299.396 1.809 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338380765 296234260 /nfs/dbraw/zinc/23/42/60/296234260.db2.gz WCIJUSXIDJTWSR-LEWSCRJBSA-N 1 2 278.308 1.755 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338380765 296234262 /nfs/dbraw/zinc/23/42/62/296234262.db2.gz WCIJUSXIDJTWSR-LEWSCRJBSA-N 1 2 278.308 1.755 10 5 CDBELO Cc1sc(C(=O)Nc2cc[nH+]cc2O)cc1[N+](=O)[O-] ZINC000345381021 378354814 /nfs/dbraw/zinc/35/48/14/378354814.db2.gz RGCOOWWSBXSDET-UHFFFAOYSA-N 1 2 279.277 1.740 10 5 CDBELO Cn1nncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000268314627 190394762 /nfs/dbraw/zinc/39/47/62/190394762.db2.gz JCGMVWRQCJPFNX-UHFFFAOYSA-N 1 2 281.703 1.667 10 5 CDBELO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000339207408 390687446 /nfs/dbraw/zinc/68/74/46/390687446.db2.gz PNPMTKSVLHFQLK-LLVKDONJSA-N 1 2 266.297 1.911 10 5 CDBELO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000339207408 390687448 /nfs/dbraw/zinc/68/74/48/390687448.db2.gz PNPMTKSVLHFQLK-LLVKDONJSA-N 1 2 266.297 1.911 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412087266 391118860 /nfs/dbraw/zinc/11/88/60/391118860.db2.gz WUCKMFWUXZDWKL-SMDDNHRTSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412087266 391118861 /nfs/dbraw/zinc/11/88/61/391118861.db2.gz WUCKMFWUXZDWKL-SMDDNHRTSA-N 1 2 296.323 1.055 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421020808 392926124 /nfs/dbraw/zinc/92/61/24/392926124.db2.gz NTPSEYMTXUZJJR-CQSZACIVSA-N 1 2 278.308 1.968 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421020808 392926127 /nfs/dbraw/zinc/92/61/27/392926127.db2.gz NTPSEYMTXUZJJR-CQSZACIVSA-N 1 2 278.308 1.968 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(Cc2cc[nH+]c(N)c2)c1=O ZINC000193092970 393216978 /nfs/dbraw/zinc/21/69/78/393216978.db2.gz FGSSWKXMKWWWAQ-UHFFFAOYSA-N 1 2 260.253 1.090 10 5 CDBELO C[C@H]([NH2+]Cc1ncnn1C)c1ccccc1[N+](=O)[O-] ZINC000350185507 154347625 /nfs/dbraw/zinc/34/76/25/154347625.db2.gz VNSCZQIKCMDBTK-VIFPVBQESA-N 1 2 261.285 1.574 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285244360 196230945 /nfs/dbraw/zinc/23/09/45/196230945.db2.gz GUODPQOYJMHVIG-OAHLLOKOSA-N 1 2 292.335 1.976 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285244360 196230946 /nfs/dbraw/zinc/23/09/46/196230946.db2.gz GUODPQOYJMHVIG-OAHLLOKOSA-N 1 2 292.335 1.976 10 5 CDBELO Cn1cc[nH+]c1CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000040690786 174377048 /nfs/dbraw/zinc/37/70/48/174377048.db2.gz UISSYTKQXPFQLR-UHFFFAOYSA-N 1 2 292.270 1.440 10 5 CDBELO O=C(NCCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000078723482 177375709 /nfs/dbraw/zinc/37/57/09/177375709.db2.gz LGYHPDRQJQDZOX-UHFFFAOYSA-N 1 2 294.698 1.944 10 5 CDBELO O=C(NCCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000078723482 177375710 /nfs/dbraw/zinc/37/57/10/177375710.db2.gz LGYHPDRQJQDZOX-UHFFFAOYSA-N 1 2 294.698 1.944 10 5 CDBELO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185068740 289316267 /nfs/dbraw/zinc/31/62/67/289316267.db2.gz QONNDPICXBJPOJ-SNVBAGLBSA-N 1 2 279.296 1.077 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)NC(C)C ZINC000183242340 323325597 /nfs/dbraw/zinc/32/55/97/323325597.db2.gz RXOXBUHVJSAWJB-UHFFFAOYSA-N 1 2 279.340 1.860 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)NC(C)C ZINC000183242340 323325592 /nfs/dbraw/zinc/32/55/92/323325592.db2.gz RXOXBUHVJSAWJB-UHFFFAOYSA-N 1 2 279.340 1.860 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]([NH3+])C(F)F ZINC000724727024 685593255 /nfs/dbraw/zinc/59/32/55/685593255.db2.gz IEBFLSHMFWCGIU-MRVPVSSYSA-N 1 2 273.239 1.824 10 5 CDBELO O=C1OC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860157822 685010820 /nfs/dbraw/zinc/01/08/20/685010820.db2.gz DJSVTEXRCPTCQM-RKDXNWHRSA-N 1 2 268.294 1.261 10 5 CDBELO O=C1OC[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860157822 685010822 /nfs/dbraw/zinc/01/08/22/685010822.db2.gz DJSVTEXRCPTCQM-RKDXNWHRSA-N 1 2 268.294 1.261 10 5 CDBELO CNc1nccc(C(=O)Nc2cc[nH+]c(C)c2)c1[N+](=O)[O-] ZINC001617440456 1165597643 /nfs/dbraw/zinc/59/76/43/1165597643.db2.gz OWUQIRXYBJPCDE-UHFFFAOYSA-N 1 2 287.279 1.409 10 5 CDBELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001629193654 1166121363 /nfs/dbraw/zinc/12/13/63/1166121363.db2.gz MNQMTZIURHQMDC-QMMMGPOBSA-N 1 2 289.295 1.717 10 5 CDBELO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001629193654 1166121366 /nfs/dbraw/zinc/12/13/66/1166121366.db2.gz MNQMTZIURHQMDC-QMMMGPOBSA-N 1 2 289.295 1.717 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001631347130 1166269840 /nfs/dbraw/zinc/26/98/40/1166269840.db2.gz JNKOMXUQWNMXSJ-JTQLQIEISA-N 1 2 279.296 1.636 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001631347130 1166269847 /nfs/dbraw/zinc/26/98/47/1166269847.db2.gz JNKOMXUQWNMXSJ-JTQLQIEISA-N 1 2 279.296 1.636 10 5 CDBELO Cc1ccnc(NCc2ccc[nH+]c2N)c1[N+](=O)[O-] ZINC001651075411 1171284035 /nfs/dbraw/zinc/28/40/35/1171284035.db2.gz RYPZWFQBKLHXIF-UHFFFAOYSA-N 1 2 259.269 1.888 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)C1(O)CCC1)C2 ZINC001119681885 925470608 /nfs/dbraw/zinc/47/06/08/925470608.db2.gz XSTGYIHPAORFML-CYBMUJFWSA-N 1 2 278.308 1.186 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)C1(O)CCC1)C2 ZINC001119681885 925470612 /nfs/dbraw/zinc/47/06/12/925470612.db2.gz XSTGYIHPAORFML-CYBMUJFWSA-N 1 2 278.308 1.186 10 5 CDBELO O=[N+]([O-])c1ccsc1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001458665465 969333231 /nfs/dbraw/zinc/33/32/31/969333231.db2.gz YCHFEYWIRVUSHZ-IUCAKERBSA-N 1 2 271.317 1.889 10 5 CDBELO O=[N+]([O-])c1ccsc1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001458665465 969333234 /nfs/dbraw/zinc/33/32/34/969333234.db2.gz YCHFEYWIRVUSHZ-IUCAKERBSA-N 1 2 271.317 1.889 10 5 CDBELO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000587045360 342474074 /nfs/dbraw/zinc/47/40/74/342474074.db2.gz NWLUWYOABFYGQK-LLVKDONJSA-N 1 2 286.291 1.536 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1NCC(C)(C)n1cc[nH+]c1 ZINC000601197492 342489745 /nfs/dbraw/zinc/48/97/45/342489745.db2.gz BRBWMVKJOMEIBJ-UHFFFAOYSA-N 1 2 264.289 1.372 10 5 CDBELO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588070201 342492200 /nfs/dbraw/zinc/49/22/00/342492200.db2.gz OLQFRIKXJQDQKE-NWDGAFQWSA-N 1 2 292.339 1.289 10 5 CDBELO CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597947220 343675963 /nfs/dbraw/zinc/67/59/63/343675963.db2.gz VVPSFXVGTKWVRB-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000597947220 343675965 /nfs/dbraw/zinc/67/59/65/343675965.db2.gz VVPSFXVGTKWVRB-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000599159426 343970601 /nfs/dbraw/zinc/97/06/01/343970601.db2.gz BOQBWHZUWCQXIF-MRVPVSSYSA-N 1 2 284.291 1.059 10 5 CDBELO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000599159426 343970604 /nfs/dbraw/zinc/97/06/04/343970604.db2.gz BOQBWHZUWCQXIF-MRVPVSSYSA-N 1 2 284.291 1.059 10 5 CDBELO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599065839 343948117 /nfs/dbraw/zinc/94/81/17/343948117.db2.gz ROFDXCQFFASQDV-ZANVPECISA-N 1 2 273.292 1.960 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000280107159 304003527 /nfs/dbraw/zinc/00/35/27/304003527.db2.gz DZXNHSJKVGTJRT-LLVKDONJSA-N 1 2 291.307 1.866 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000280107159 304003529 /nfs/dbraw/zinc/00/35/29/304003529.db2.gz DZXNHSJKVGTJRT-LLVKDONJSA-N 1 2 291.307 1.866 10 5 CDBELO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000066797157 350876075 /nfs/dbraw/zinc/87/60/75/350876075.db2.gz CASWEGNEZPUFGE-UHFFFAOYSA-N 1 2 299.334 1.707 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000294775914 199177609 /nfs/dbraw/zinc/17/76/09/199177609.db2.gz KRQIJPZUVUCVGQ-NSHDSACASA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000294775914 199177610 /nfs/dbraw/zinc/17/76/10/199177610.db2.gz KRQIJPZUVUCVGQ-NSHDSACASA-N 1 2 286.715 1.441 10 5 CDBELO C[C@@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000571519789 359581721 /nfs/dbraw/zinc/58/17/21/359581721.db2.gz OCMYBNGRNZYYNP-GFCCVEGCSA-N 1 2 265.269 1.239 10 5 CDBELO CCC[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978295 375345763 /nfs/dbraw/zinc/34/57/63/375345763.db2.gz PTCFFDOQJSCIRN-UHFFFAOYSA-N 1 2 296.323 1.988 10 5 CDBELO CCC[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978295 375345770 /nfs/dbraw/zinc/34/57/70/375345770.db2.gz PTCFFDOQJSCIRN-UHFFFAOYSA-N 1 2 296.323 1.988 10 5 CDBELO CC(C)OC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352999715 375562508 /nfs/dbraw/zinc/56/25/08/375562508.db2.gz JTDCVWXZEUAWCT-ZDUSSCGKSA-N 1 2 295.339 1.134 10 5 CDBELO CC(C)OC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352999715 375562511 /nfs/dbraw/zinc/56/25/11/375562511.db2.gz JTDCVWXZEUAWCT-ZDUSSCGKSA-N 1 2 295.339 1.134 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000494702106 391901186 /nfs/dbraw/zinc/90/11/86/391901186.db2.gz IORMAVBPSPNNRN-LBPRGKRZSA-N 1 2 266.272 1.691 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494702106 391901188 /nfs/dbraw/zinc/90/11/88/391901188.db2.gz IORMAVBPSPNNRN-LBPRGKRZSA-N 1 2 266.272 1.691 10 5 CDBELO Cc1cn2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000343299719 152109997 /nfs/dbraw/zinc/10/99/97/152109997.db2.gz CLTNRHAGXOKOIF-UHFFFAOYSA-N 1 2 286.251 1.526 10 5 CDBELO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000354017196 156226607 /nfs/dbraw/zinc/22/66/07/156226607.db2.gz HVTMIYFMFBHPRC-UHFFFAOYSA-N 1 2 290.283 1.061 10 5 CDBELO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000354017196 156226610 /nfs/dbraw/zinc/22/66/10/156226610.db2.gz HVTMIYFMFBHPRC-UHFFFAOYSA-N 1 2 290.283 1.061 10 5 CDBELO COC(=O)[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000358805054 158033977 /nfs/dbraw/zinc/03/39/77/158033977.db2.gz FJPFSDGAYMBIFS-ZDUSSCGKSA-N 1 2 293.323 1.548 10 5 CDBELO CC[NH+]1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC000006311691 170190149 /nfs/dbraw/zinc/19/01/49/170190149.db2.gz UFLKCARVOJJCOR-UHFFFAOYSA-N 1 2 299.277 1.651 10 5 CDBELO Cn1cc[nH+]c1CNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000071275984 176106785 /nfs/dbraw/zinc/10/67/85/176106785.db2.gz PGURGFHEYCWYAG-UHFFFAOYSA-N 1 2 278.243 1.397 10 5 CDBELO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000459743295 280584493 /nfs/dbraw/zinc/58/44/93/280584493.db2.gz PXWRISYPPXWXEY-YPMHNXCESA-N 1 2 266.297 1.958 10 5 CDBELO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000448753549 289287635 /nfs/dbraw/zinc/28/76/35/289287635.db2.gz WZWVCNQSUIUYSG-NSHDSACASA-N 1 2 293.323 1.370 10 5 CDBELO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217315909 289295467 /nfs/dbraw/zinc/29/54/67/289295467.db2.gz XDYJWOJXRBLTID-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000574133832 294950196 /nfs/dbraw/zinc/95/01/96/294950196.db2.gz QDALTNAWGOMTJT-KWQFWETISA-N 1 2 287.279 1.622 10 5 CDBELO CCCNc1ccc(C[N@H+](C)CC(=O)NC)cc1[N+](=O)[O-] ZINC000050813374 520154442 /nfs/dbraw/zinc/15/44/42/520154442.db2.gz XCZGEUAKCJHXIT-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCCNc1ccc(C[N@@H+](C)CC(=O)NC)cc1[N+](=O)[O-] ZINC000050813374 520154451 /nfs/dbraw/zinc/15/44/51/520154451.db2.gz XCZGEUAKCJHXIT-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCNc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000050725147 520325785 /nfs/dbraw/zinc/32/57/85/520325785.db2.gz VMASRGNFOQGGOX-UHFFFAOYSA-N 1 2 292.339 1.414 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000050814329 522644183 /nfs/dbraw/zinc/64/41/83/522644183.db2.gz HLLJQBGZMYZZLS-CYBMUJFWSA-N 1 2 293.323 1.774 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000050814329 522644190 /nfs/dbraw/zinc/64/41/90/522644190.db2.gz HLLJQBGZMYZZLS-CYBMUJFWSA-N 1 2 293.323 1.774 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(C(C)=O)CC1 ZINC000050791931 522647380 /nfs/dbraw/zinc/64/73/80/522647380.db2.gz HVUKRYDAJSSCCQ-UHFFFAOYSA-N 1 2 292.339 1.301 10 5 CDBELO Cn1ncc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000806168673 617314079 /nfs/dbraw/zinc/31/40/79/617314079.db2.gz WOUDJLDVLVTBIG-CQSZACIVSA-N 1 2 287.323 1.891 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001624539046 1165847877 /nfs/dbraw/zinc/84/78/77/1165847877.db2.gz ALBRDJDUCARVPH-JTQLQIEISA-N 1 2 268.317 1.223 10 5 CDBELO Cc1nc(NCc2ccn3cc[nH+]c3c2)ncc1[N+](=O)[O-] ZINC001639630897 1166956968 /nfs/dbraw/zinc/95/69/68/1166956968.db2.gz NMLDOPOYYJVTEN-UHFFFAOYSA-N 1 2 284.279 1.953 10 5 CDBELO Nc1ccc(CNc2ncc([N+](=O)[O-])cc2F)c[nH+]1 ZINC001655382349 1171692141 /nfs/dbraw/zinc/69/21/41/1171692141.db2.gz ABBIBOQJNDKDFX-UHFFFAOYSA-N 1 2 263.232 1.718 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])s1 ZINC000857990018 723470474 /nfs/dbraw/zinc/47/04/74/723470474.db2.gz LPBHIZPQFBJNOG-SSDOTTSWSA-N 1 2 278.293 1.728 10 5 CDBELO C[C@@](CO)([NH2+]Cc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001175324962 913537717 /nfs/dbraw/zinc/53/77/17/913537717.db2.gz WZDAZZUIMJCKSA-ZDUSSCGKSA-N 1 2 276.296 1.315 10 5 CDBELO CC1(C(N)=O)C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000843415472 937147463 /nfs/dbraw/zinc/14/74/63/937147463.db2.gz GOYZGQFHSYVLED-UHFFFAOYSA-N 1 2 283.715 1.555 10 5 CDBELO Cc1nnc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC001473362810 970781966 /nfs/dbraw/zinc/78/19/66/970781966.db2.gz VHADFOFWOVKNIR-SSDOTTSWSA-N 1 2 280.288 1.142 10 5 CDBELO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)c1 ZINC001458430143 969300108 /nfs/dbraw/zinc/30/01/08/969300108.db2.gz MCESNUZPDODELT-UHFFFAOYSA-N 1 2 289.295 1.082 10 5 CDBELO CCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001532171139 969327430 /nfs/dbraw/zinc/32/74/30/969327430.db2.gz WHIRKNXCMXUTLI-UHFFFAOYSA-N 1 2 274.280 1.872 10 5 CDBELO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])n1C ZINC001655886501 1171735070 /nfs/dbraw/zinc/73/50/70/1171735070.db2.gz NONUNDMOVSOWSG-GFCCVEGCSA-N 1 2 295.339 1.615 10 5 CDBELO COC(=O)c1ccc([C@H]2CCCC[N@H+]2CC[N+](=O)[O-])n1C ZINC001655886501 1171735078 /nfs/dbraw/zinc/73/50/78/1171735078.db2.gz NONUNDMOVSOWSG-GFCCVEGCSA-N 1 2 295.339 1.615 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000590658754 342581251 /nfs/dbraw/zinc/58/12/51/342581251.db2.gz SBNGOQJSOGDRKP-NSHDSACASA-N 1 2 282.271 1.925 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000590658754 342581252 /nfs/dbraw/zinc/58/12/52/342581252.db2.gz SBNGOQJSOGDRKP-NSHDSACASA-N 1 2 282.271 1.925 10 5 CDBELO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1[N+](=O)[O-] ZINC000593098488 342766082 /nfs/dbraw/zinc/76/60/82/342766082.db2.gz BIDILTWOPBHXOC-MKXJDEKUSA-N 1 2 296.348 1.309 10 5 CDBELO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)ccc1[N+](=O)[O-] ZINC000593098488 342766083 /nfs/dbraw/zinc/76/60/83/342766083.db2.gz BIDILTWOPBHXOC-MKXJDEKUSA-N 1 2 296.348 1.309 10 5 CDBELO Cc1c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cccc1[N+](=O)[O-] ZINC000593103230 342768132 /nfs/dbraw/zinc/76/81/32/342768132.db2.gz WXHVFTOILPHBDV-SYTFOFBDSA-N 1 2 280.349 1.608 10 5 CDBELO Cc1c(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cccc1[N+](=O)[O-] ZINC000593103230 342768133 /nfs/dbraw/zinc/76/81/33/342768133.db2.gz WXHVFTOILPHBDV-SYTFOFBDSA-N 1 2 280.349 1.608 10 5 CDBELO O=C(Cn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546178 342417708 /nfs/dbraw/zinc/41/77/08/342417708.db2.gz XGOJNTUGGUZZCI-UHFFFAOYSA-N 1 2 262.225 1.136 10 5 CDBELO Cc1ccc(NC[C@H]2COCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000599160498 343970875 /nfs/dbraw/zinc/97/08/75/343970875.db2.gz KRUKSZJKLZMGPO-NSHDSACASA-N 1 2 265.313 1.646 10 5 CDBELO Cc1ccc(NC[C@H]2COCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000599160498 343970876 /nfs/dbraw/zinc/97/08/76/343970876.db2.gz KRUKSZJKLZMGPO-NSHDSACASA-N 1 2 265.313 1.646 10 5 CDBELO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000314654723 344913929 /nfs/dbraw/zinc/91/39/29/344913929.db2.gz AAHNQUKPBHWDNJ-JOYOIKCWSA-N 1 2 293.323 1.465 10 5 CDBELO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000342650664 359340432 /nfs/dbraw/zinc/34/04/32/359340432.db2.gz YBADBAVTPKJGDY-UHFFFAOYSA-N 1 2 296.327 1.209 10 5 CDBELO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000342650664 359340438 /nfs/dbraw/zinc/34/04/38/359340438.db2.gz YBADBAVTPKJGDY-UHFFFAOYSA-N 1 2 296.327 1.209 10 5 CDBELO Cc1cc(NC[C@@H](C)[N@@H+]2CCOC[C@H]2C)ncc1[N+](=O)[O-] ZINC000301454103 201014283 /nfs/dbraw/zinc/01/42/83/201014283.db2.gz VQGAEJQTDFPDNZ-VXGBXAGGSA-N 1 2 294.355 1.819 10 5 CDBELO Cc1cc(NC[C@@H](C)[N@H+]2CCOC[C@H]2C)ncc1[N+](=O)[O-] ZINC000301454103 201014286 /nfs/dbraw/zinc/01/42/86/201014286.db2.gz VQGAEJQTDFPDNZ-VXGBXAGGSA-N 1 2 294.355 1.819 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000271204812 366983399 /nfs/dbraw/zinc/98/33/99/366983399.db2.gz VOSJVNHRVOYITG-GFCCVEGCSA-N 1 2 291.351 1.956 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000271204812 366983406 /nfs/dbraw/zinc/98/34/06/366983406.db2.gz VOSJVNHRVOYITG-GFCCVEGCSA-N 1 2 291.351 1.956 10 5 CDBELO O=[N+]([O-])c1ccc2nc(C[NH+]3CCOCC3)ccc2c1 ZINC000090367519 367033693 /nfs/dbraw/zinc/03/36/93/367033693.db2.gz PBEFYZYHKCFHEK-UHFFFAOYSA-N 1 2 273.292 1.975 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@H]2CCO)cs1 ZINC000330628108 203057701 /nfs/dbraw/zinc/05/77/01/203057701.db2.gz YIFDSRCRQWCASG-SNVBAGLBSA-N 1 2 288.394 1.956 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@H]2CCO)cs1 ZINC000330628108 203057704 /nfs/dbraw/zinc/05/77/04/203057704.db2.gz YIFDSRCRQWCASG-SNVBAGLBSA-N 1 2 288.394 1.956 10 5 CDBELO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000563094489 293271847 /nfs/dbraw/zinc/27/18/47/293271847.db2.gz JPPVVNAYABABNZ-CBAPKCEASA-N 1 2 265.269 1.237 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1CNC(=O)Cn1cc[nH+]c1 ZINC000576144856 317083951 /nfs/dbraw/zinc/08/39/51/317083951.db2.gz KLCDLSRIEZHWMG-UHFFFAOYSA-N 1 2 290.279 1.116 10 5 CDBELO CC[NH2+][C@@H](CCOc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000062539413 520094182 /nfs/dbraw/zinc/09/41/82/520094182.db2.gz YPRYZVIOODZKPR-NSHDSACASA-N 1 2 296.323 1.905 10 5 CDBELO CCNc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050812507 520302471 /nfs/dbraw/zinc/30/24/71/520302471.db2.gz MADQHJRZSGXMBA-LBPRGKRZSA-N 1 2 292.339 1.476 10 5 CDBELO CCNc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050812507 520302479 /nfs/dbraw/zinc/30/24/79/520302479.db2.gz MADQHJRZSGXMBA-LBPRGKRZSA-N 1 2 292.339 1.476 10 5 CDBELO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050813690 523287272 /nfs/dbraw/zinc/28/72/72/523287272.db2.gz KDSOYCCGKNNCDN-LBPRGKRZSA-N 1 2 265.313 1.788 10 5 CDBELO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050813690 523287280 /nfs/dbraw/zinc/28/72/80/523287280.db2.gz KDSOYCCGKNNCDN-LBPRGKRZSA-N 1 2 265.313 1.788 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050710106 524788713 /nfs/dbraw/zinc/78/87/13/524788713.db2.gz FDTZJKWOQGYNIK-SECBINFHSA-N 1 2 289.295 1.192 10 5 CDBELO COc1ccccc1CC[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000104653443 695623434 /nfs/dbraw/zinc/62/34/34/695623434.db2.gz ZQOPVCCVWDFDAL-UHFFFAOYSA-N 1 2 290.323 1.932 10 5 CDBELO COc1ccccc1CC[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000104653443 695623440 /nfs/dbraw/zinc/62/34/40/695623440.db2.gz ZQOPVCCVWDFDAL-UHFFFAOYSA-N 1 2 290.323 1.932 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](O)[C@@H]1C ZINC001643107280 1167225408 /nfs/dbraw/zinc/22/54/08/1167225408.db2.gz MBFAKKMORDSURJ-JQWIXIFHSA-N 1 2 293.323 1.297 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](O)[C@@H]1C ZINC001643107280 1167225415 /nfs/dbraw/zinc/22/54/15/1167225415.db2.gz MBFAKKMORDSURJ-JQWIXIFHSA-N 1 2 293.323 1.297 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928148 725620106 /nfs/dbraw/zinc/62/01/06/725620106.db2.gz RICCSHXPBDPODD-SECBINFHSA-N 1 2 271.296 1.174 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928148 725620111 /nfs/dbraw/zinc/62/01/11/725620111.db2.gz RICCSHXPBDPODD-SECBINFHSA-N 1 2 271.296 1.174 10 5 CDBELO C[N@H+](CCn1cnnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000707143359 896041342 /nfs/dbraw/zinc/04/13/42/896041342.db2.gz KKDYVLDQZQPAPR-UHFFFAOYSA-N 1 2 279.275 1.457 10 5 CDBELO C[N@@H+](CCn1cnnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000707143359 896041345 /nfs/dbraw/zinc/04/13/45/896041345.db2.gz KKDYVLDQZQPAPR-UHFFFAOYSA-N 1 2 279.275 1.457 10 5 CDBELO Nc1nc(SCc2ccc[nH+]c2N)ncc1[N+](=O)[O-] ZINC001189391956 921455158 /nfs/dbraw/zinc/45/51/58/921455158.db2.gz SCZZLPJEYLYBDR-UHFFFAOYSA-N 1 2 278.297 1.237 10 5 CDBELO Cn1c(C(=O)N[C@H]2CCn3c[nH+]cc32)ccc1[N+](=O)[O-] ZINC000857989931 928794409 /nfs/dbraw/zinc/79/44/09/928794409.db2.gz UGWMDTZHNGDPOP-QMMMGPOBSA-N 1 2 275.268 1.005 10 5 CDBELO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001148760893 932788187 /nfs/dbraw/zinc/78/81/87/932788187.db2.gz IRMBGIAIXAXVIS-UHFFFAOYSA-N 1 2 275.268 1.260 10 5 CDBELO Cc1ccc(C[NH2+][C@@H](C)c2cnn(C)n2)cc1[N+](=O)[O-] ZINC000926794767 933024345 /nfs/dbraw/zinc/02/43/45/933024345.db2.gz DUXVOUMZCVGRDS-JTQLQIEISA-N 1 2 275.312 1.883 10 5 CDBELO COc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001441932516 964796636 /nfs/dbraw/zinc/79/66/36/964796636.db2.gz RIEDRZFMXMDPEF-UHFFFAOYSA-N 1 2 290.279 1.185 10 5 CDBELO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001557693913 965197814 /nfs/dbraw/zinc/19/78/14/965197814.db2.gz VRMXVCHHGJTFPS-VIFPVBQESA-N 1 2 287.279 1.248 10 5 CDBELO CC(C)(CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N+](=O)[O-] ZINC001464565649 969797418 /nfs/dbraw/zinc/79/74/18/969797418.db2.gz QZYZZMCKRZRZEX-UHFFFAOYSA-N 1 2 294.355 1.951 10 5 CDBELO C[C@H]1COCC[N@@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601114234 342471603 /nfs/dbraw/zinc/47/16/03/342471603.db2.gz NAWIEBFDKBWNMX-VIFPVBQESA-N 1 2 284.291 1.262 10 5 CDBELO C[C@H]1COCC[N@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601114234 342471604 /nfs/dbraw/zinc/47/16/04/342471604.db2.gz NAWIEBFDKBWNMX-VIFPVBQESA-N 1 2 284.291 1.262 10 5 CDBELO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](C2CC2)CC1 ZINC000589108554 342497434 /nfs/dbraw/zinc/49/74/34/342497434.db2.gz FJFFCKDRAGAIRX-UHFFFAOYSA-N 1 2 282.731 1.928 10 5 CDBELO C[N@@H+]1CCO[C@@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000591955524 342658325 /nfs/dbraw/zinc/65/83/25/342658325.db2.gz JDJFVDTWIGRHQI-SECBINFHSA-N 1 2 269.326 1.413 10 5 CDBELO C[N@H+]1CCO[C@@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000591955524 342658326 /nfs/dbraw/zinc/65/83/26/342658326.db2.gz JDJFVDTWIGRHQI-SECBINFHSA-N 1 2 269.326 1.413 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c(F)c1 ZINC000593098411 342765978 /nfs/dbraw/zinc/76/59/78/342765978.db2.gz XQORURVBSNLFGN-ADWYPQAOSA-N 1 2 284.312 1.439 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c(F)c1 ZINC000593098411 342765979 /nfs/dbraw/zinc/76/59/79/342765979.db2.gz XQORURVBSNLFGN-ADWYPQAOSA-N 1 2 284.312 1.439 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598943281 343924218 /nfs/dbraw/zinc/92/42/18/343924218.db2.gz GDRMIXQQLPZZGV-JTQLQIEISA-N 1 2 286.291 1.454 10 5 CDBELO O=[N+]([O-])c1cnc(NC2CC([NH+]3CCOCC3)C2)s1 ZINC000599094785 343953736 /nfs/dbraw/zinc/95/37/36/343953736.db2.gz NGHNIIWYDPBNCZ-UHFFFAOYSA-N 1 2 284.341 1.326 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599084192 343958154 /nfs/dbraw/zinc/95/81/54/343958154.db2.gz PVBLRFPTIVYKFL-GXFFZTMASA-N 1 2 293.323 1.232 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599084192 343958156 /nfs/dbraw/zinc/95/81/56/343958156.db2.gz PVBLRFPTIVYKFL-GXFFZTMASA-N 1 2 293.323 1.232 10 5 CDBELO [NH3+][C@@]1(C(F)(F)CO)CCOc2ccc([N+](=O)[O-])cc21 ZINC000148055728 348725208 /nfs/dbraw/zinc/72/52/08/348725208.db2.gz YEXFIDILSDKNMC-JTQLQIEISA-N 1 2 274.223 1.159 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000091673773 180223911 /nfs/dbraw/zinc/22/39/11/180223911.db2.gz GDHPUYAUARRJLR-VIFPVBQESA-N 1 2 285.731 1.991 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000091673773 180223912 /nfs/dbraw/zinc/22/39/12/180223912.db2.gz GDHPUYAUARRJLR-VIFPVBQESA-N 1 2 285.731 1.991 10 5 CDBELO C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000432169022 357210576 /nfs/dbraw/zinc/21/05/76/357210576.db2.gz INXZDINSIQKWGE-JTQLQIEISA-N 1 2 299.758 1.751 10 5 CDBELO C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000432169022 357210582 /nfs/dbraw/zinc/21/05/82/357210582.db2.gz INXZDINSIQKWGE-JTQLQIEISA-N 1 2 299.758 1.751 10 5 CDBELO CC(C)[NH+]1CC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000341340449 357229890 /nfs/dbraw/zinc/22/98/90/357229890.db2.gz JNIVFKWQGJAOJP-UHFFFAOYSA-N 1 2 279.296 1.123 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330459027 367794789 /nfs/dbraw/zinc/79/47/89/367794789.db2.gz STAXZTDMJXPKBT-RNCFNFMXSA-N 1 2 266.297 1.503 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330459027 367794790 /nfs/dbraw/zinc/79/47/90/367794790.db2.gz STAXZTDMJXPKBT-RNCFNFMXSA-N 1 2 266.297 1.503 10 5 CDBELO O=C(Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cn1 ZINC000531628261 374504338 /nfs/dbraw/zinc/50/43/38/374504338.db2.gz NYWWXVDMFFFPTQ-UHFFFAOYSA-N 1 2 283.247 1.890 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000331123042 374890114 /nfs/dbraw/zinc/89/01/14/374890114.db2.gz BUQLSWFYFGVHGT-QWHCGFSZSA-N 1 2 293.367 1.654 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000331123042 374890116 /nfs/dbraw/zinc/89/01/16/374890116.db2.gz BUQLSWFYFGVHGT-QWHCGFSZSA-N 1 2 293.367 1.654 10 5 CDBELO CC[NH+](CC)CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280733185 375018670 /nfs/dbraw/zinc/01/86/70/375018670.db2.gz ISUSZSKDTBIGPP-UHFFFAOYSA-N 1 2 281.312 1.372 10 5 CDBELO COc1cc(C[NH2+][C@@H](C)c2nncn2C)ccc1[N+](=O)[O-] ZINC000494810619 375594335 /nfs/dbraw/zinc/59/43/35/375594335.db2.gz SSFDSXOCVVXPDW-VIFPVBQESA-N 1 2 291.311 1.583 10 5 CDBELO CC(C)(C)[N@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000133959443 375868210 /nfs/dbraw/zinc/86/82/10/375868210.db2.gz DFCFRQYOPHFDGL-UHFFFAOYSA-N 1 2 271.342 1.742 10 5 CDBELO CC(C)(C)[N@@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000133959443 375868215 /nfs/dbraw/zinc/86/82/15/375868215.db2.gz DFCFRQYOPHFDGL-UHFFFAOYSA-N 1 2 271.342 1.742 10 5 CDBELO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000234350529 390597500 /nfs/dbraw/zinc/59/75/00/390597500.db2.gz IARSHLIRRZIJGU-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000234350529 390597504 /nfs/dbraw/zinc/59/75/04/390597504.db2.gz IARSHLIRRZIJGU-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO COc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)ccc1[N+](=O)[O-] ZINC000352667963 155342200 /nfs/dbraw/zinc/34/22/00/155342200.db2.gz OKVOMNHPLIROJT-LBPRGKRZSA-N 1 2 293.323 1.266 10 5 CDBELO COc1cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)ccc1[N+](=O)[O-] ZINC000352667963 155342202 /nfs/dbraw/zinc/34/22/02/155342202.db2.gz OKVOMNHPLIROJT-LBPRGKRZSA-N 1 2 293.323 1.266 10 5 CDBELO COc1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCOCC1 ZINC000577478294 317337290 /nfs/dbraw/zinc/33/72/90/317337290.db2.gz HQURFJREWNGAFV-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000583575208 325203082 /nfs/dbraw/zinc/20/30/82/325203082.db2.gz WBPOQDDOMCGWCF-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCO[C@H](C)C1 ZINC000583575208 325203084 /nfs/dbraw/zinc/20/30/84/325203084.db2.gz WBPOQDDOMCGWCF-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO Cc1c[nH+]cc(C)c1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001625883686 1159421310 /nfs/dbraw/zinc/42/13/10/1159421310.db2.gz CIECUIBSFJDVSU-UHFFFAOYSA-N 1 2 274.280 1.619 10 5 CDBELO CCCNC(=O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815997 519874489 /nfs/dbraw/zinc/87/44/89/519874489.db2.gz XMSCUSQLQMMVOC-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCCNC(=O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815997 519874491 /nfs/dbraw/zinc/87/44/91/519874491.db2.gz XMSCUSQLQMMVOC-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCCNc1[nH+]cccc1Cn1cnc([N+](=O)[O-])n1 ZINC000052733493 520195982 /nfs/dbraw/zinc/19/59/82/520195982.db2.gz GUTHJHKRZMSWCZ-UHFFFAOYSA-N 1 2 262.273 1.452 10 5 CDBELO CNc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000050725146 522639232 /nfs/dbraw/zinc/63/92/32/522639232.db2.gz CWGJNCJYXPHILK-UHFFFAOYSA-N 1 2 278.312 1.024 10 5 CDBELO COC(=O)[C@H](COc1cccc([N+](=O)[O-])c1)[NH2+]C(C)C ZINC000045462093 523908802 /nfs/dbraw/zinc/90/88/02/523908802.db2.gz PWSYMVJOVGWFGK-LBPRGKRZSA-N 1 2 282.296 1.513 10 5 CDBELO Cn1ccc([C@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000905718283 626939271 /nfs/dbraw/zinc/93/92/71/626939271.db2.gz ONADDDNAWAYUMI-NSHDSACASA-N 1 2 290.327 1.362 10 5 CDBELO Cn1ccc([C@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000905718283 626939273 /nfs/dbraw/zinc/93/92/73/626939273.db2.gz ONADDDNAWAYUMI-NSHDSACASA-N 1 2 290.327 1.362 10 5 CDBELO CN(C)c1cc[nH+]c(CNc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC001612917417 1165525600 /nfs/dbraw/zinc/52/56/00/1165525600.db2.gz UMYQPKVFGDLKKW-UHFFFAOYSA-N 1 2 289.299 1.040 10 5 CDBELO C[N@@H+](Cc1ncccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001620536504 1165656047 /nfs/dbraw/zinc/65/60/47/1165656047.db2.gz WZTMRKZJGOTKNG-CYBMUJFWSA-N 1 2 288.307 1.550 10 5 CDBELO C[N@H+](Cc1ncccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001620536504 1165656055 /nfs/dbraw/zinc/65/60/55/1165656055.db2.gz WZTMRKZJGOTKNG-CYBMUJFWSA-N 1 2 288.307 1.550 10 5 CDBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccccc1[N+](=O)[O-] ZINC001628088376 1166038174 /nfs/dbraw/zinc/03/81/74/1166038174.db2.gz WRDPQCQOVXKTCK-VIFPVBQESA-N 1 2 272.264 1.146 10 5 CDBELO CCONC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001540645913 1167921259 /nfs/dbraw/zinc/92/12/59/1167921259.db2.gz PNGOAEDGPJFJGO-UHFFFAOYSA-N 1 2 276.252 1.462 10 5 CDBELO Cc1c(NC(=O)Cc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC001586877685 1172961889 /nfs/dbraw/zinc/96/18/89/1172961889.db2.gz LXKWJPCYBAUYSL-UHFFFAOYSA-N 1 2 260.253 1.808 10 5 CDBELO C[C@@H]1[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719337463 726813333 /nfs/dbraw/zinc/81/33/33/726813333.db2.gz NAVTZAIBUCUVKP-KCJUWKMLSA-N 1 2 279.296 1.123 10 5 CDBELO C[C@@H]1[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719337463 726813335 /nfs/dbraw/zinc/81/33/35/726813335.db2.gz NAVTZAIBUCUVKP-KCJUWKMLSA-N 1 2 279.296 1.123 10 5 CDBELO Cc1cc(C)c(CNC(=O)c2c([N+](=O)[O-])cnn2C)c[nH+]1 ZINC001639155591 1166907322 /nfs/dbraw/zinc/90/73/22/1166907322.db2.gz YHKBGAAQIMBDRP-UHFFFAOYSA-N 1 2 289.295 1.270 10 5 CDBELO C[N@H+](CCn1cnnc1)Cc1csc([N+](=O)[O-])c1 ZINC001473766503 970848250 /nfs/dbraw/zinc/84/82/50/970848250.db2.gz ZPSRCEDZMWOERS-UHFFFAOYSA-N 1 2 267.314 1.380 10 5 CDBELO C[N@@H+](CCn1cnnc1)Cc1csc([N+](=O)[O-])c1 ZINC001473766503 970848254 /nfs/dbraw/zinc/84/82/54/970848254.db2.gz ZPSRCEDZMWOERS-UHFFFAOYSA-N 1 2 267.314 1.380 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042513630 342265192 /nfs/dbraw/zinc/26/51/92/342265192.db2.gz ZIIDONNBUKIPCX-SECBINFHSA-N 1 2 289.295 1.313 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595337143 343029264 /nfs/dbraw/zinc/02/92/64/343029264.db2.gz UMWYSRZWOBZYJW-SECBINFHSA-N 1 2 295.217 1.390 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595337143 343029266 /nfs/dbraw/zinc/02/92/66/343029266.db2.gz UMWYSRZWOBZYJW-SECBINFHSA-N 1 2 295.217 1.390 10 5 CDBELO COc1cc(CN(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000595399445 343048040 /nfs/dbraw/zinc/04/80/40/343048040.db2.gz JBKXQPOCCOHUMR-UHFFFAOYSA-N 1 2 276.296 1.959 10 5 CDBELO CCn1cc[nH+]c1[C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598738491 343892509 /nfs/dbraw/zinc/89/25/09/343892509.db2.gz MLWSVIMDXFQTAV-QMMMGPOBSA-N 1 2 292.299 1.036 10 5 CDBELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176249142 358750327 /nfs/dbraw/zinc/75/03/27/358750327.db2.gz WLWWVCKIMODJCG-NSHDSACASA-N 1 2 296.327 1.207 10 5 CDBELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176249142 358750331 /nfs/dbraw/zinc/75/03/31/358750331.db2.gz WLWWVCKIMODJCG-NSHDSACASA-N 1 2 296.327 1.207 10 5 CDBELO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000339087974 359293106 /nfs/dbraw/zinc/29/31/06/359293106.db2.gz GXQDTBWWHYGFEX-MRVPVSSYSA-N 1 2 262.269 1.874 10 5 CDBELO CN(Cc1[nH]cc[nH+]1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447687520 374707758 /nfs/dbraw/zinc/70/77/58/374707758.db2.gz USWQZYRXTADFRB-UHFFFAOYSA-N 1 2 272.268 1.831 10 5 CDBELO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000332280790 375021802 /nfs/dbraw/zinc/02/18/02/375021802.db2.gz WJTFKWKWGCDLJE-ZANVPECISA-N 1 2 290.323 1.674 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000332280790 375021803 /nfs/dbraw/zinc/02/18/03/375021803.db2.gz WJTFKWKWGCDLJE-ZANVPECISA-N 1 2 290.323 1.674 10 5 CDBELO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)cn1 ZINC000433789515 248055068 /nfs/dbraw/zinc/05/50/68/248055068.db2.gz NFAPRAAFGQLQBQ-UHFFFAOYSA-N 1 2 278.312 1.267 10 5 CDBELO CC[N@@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000341793298 130032444 /nfs/dbraw/zinc/03/24/44/130032444.db2.gz WUJUBXNBLYKJJN-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CC[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000341793298 130032446 /nfs/dbraw/zinc/03/24/46/130032446.db2.gz WUJUBXNBLYKJJN-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO C[C@@H]1CC[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408307338 391896818 /nfs/dbraw/zinc/89/68/18/391896818.db2.gz DJRDOQASEKTDBO-ZWNOBZJWSA-N 1 2 277.324 1.915 10 5 CDBELO C[C@@H]1CC[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408307338 391896821 /nfs/dbraw/zinc/89/68/21/391896821.db2.gz DJRDOQASEKTDBO-ZWNOBZJWSA-N 1 2 277.324 1.915 10 5 CDBELO Cc1nc(N(C)C)nc(NCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488380932 398126392 /nfs/dbraw/zinc/12/63/92/398126392.db2.gz RDCSAXWZWSBXAR-UHFFFAOYSA-N 1 2 288.311 1.188 10 5 CDBELO Cc1nc(NCc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000488380932 398126397 /nfs/dbraw/zinc/12/63/97/398126397.db2.gz RDCSAXWZWSBXAR-UHFFFAOYSA-N 1 2 288.311 1.188 10 5 CDBELO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000227880861 280101012 /nfs/dbraw/zinc/10/10/12/280101012.db2.gz LJNLPXUVUWGYFB-SNVBAGLBSA-N 1 2 295.339 1.761 10 5 CDBELO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000227880861 280101015 /nfs/dbraw/zinc/10/10/15/280101015.db2.gz LJNLPXUVUWGYFB-SNVBAGLBSA-N 1 2 295.339 1.761 10 5 CDBELO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814852 521306954 /nfs/dbraw/zinc/30/69/54/521306954.db2.gz KXRMLWBVFHYJAP-GFCCVEGCSA-N 1 2 293.323 1.705 10 5 CDBELO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814852 521306961 /nfs/dbraw/zinc/30/69/61/521306961.db2.gz KXRMLWBVFHYJAP-GFCCVEGCSA-N 1 2 293.323 1.705 10 5 CDBELO C[NH2+][C@@H](CCOc1ccc(F)cc1[N+](=O)[O-])C(=O)OC ZINC000062595951 522348919 /nfs/dbraw/zinc/34/89/19/522348919.db2.gz ANPJRYHWFPKSOV-VIFPVBQESA-N 1 2 286.259 1.264 10 5 CDBELO C[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000062595682 522349629 /nfs/dbraw/zinc/34/96/29/522349629.db2.gz PWKOCGHHWXATCC-JTQLQIEISA-N 1 2 298.295 1.133 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)NC1CC1 ZINC000050816503 522644682 /nfs/dbraw/zinc/64/46/82/522644682.db2.gz WREHLRDJALCNND-UHFFFAOYSA-N 1 2 292.339 1.347 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)NC1CC1 ZINC000050816503 522644690 /nfs/dbraw/zinc/64/46/90/522644690.db2.gz WREHLRDJALCNND-UHFFFAOYSA-N 1 2 292.339 1.347 10 5 CDBELO COC(=O)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000062726270 523630345 /nfs/dbraw/zinc/63/03/45/523630345.db2.gz VTRRHTOPCQDWGU-ZDUSSCGKSA-N 1 2 280.324 1.925 10 5 CDBELO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814302 523954985 /nfs/dbraw/zinc/95/49/85/523954985.db2.gz WUQVGAGLJWQTGE-LLVKDONJSA-N 1 2 279.296 1.314 10 5 CDBELO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814302 523954986 /nfs/dbraw/zinc/95/49/86/523954986.db2.gz WUQVGAGLJWQTGE-LLVKDONJSA-N 1 2 279.296 1.314 10 5 CDBELO Cn1ccc([C@@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000905721295 626946092 /nfs/dbraw/zinc/94/60/92/626946092.db2.gz ZOZFNWMZYHLWKE-LLVKDONJSA-N 1 2 290.327 1.362 10 5 CDBELO Cn1ccc([C@@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000905721295 626946096 /nfs/dbraw/zinc/94/60/96/626946096.db2.gz ZOZFNWMZYHLWKE-LLVKDONJSA-N 1 2 290.327 1.362 10 5 CDBELO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc[nH]1 ZINC001663513929 1172713408 /nfs/dbraw/zinc/71/34/08/1172713408.db2.gz IIMNTPYKMHIZMD-BJMVGYQFSA-N 1 2 273.296 1.906 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NCCCn2cc[nH+]c2)n1 ZINC000231667083 1178173982 /nfs/dbraw/zinc/17/39/82/1178173982.db2.gz BHKOOJPYDSCPMZ-UHFFFAOYSA-N 1 2 250.262 1.027 10 5 CDBELO CC[N@H+](C)[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813104422 729307054 /nfs/dbraw/zinc/30/70/54/729307054.db2.gz CHGIPQGISLOARY-WCQYABFASA-N 1 2 280.324 1.888 10 5 CDBELO CC[N@@H+](C)[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813104422 729307057 /nfs/dbraw/zinc/30/70/57/729307057.db2.gz CHGIPQGISLOARY-WCQYABFASA-N 1 2 280.324 1.888 10 5 CDBELO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089865 1165378387 /nfs/dbraw/zinc/37/83/87/1165378387.db2.gz GSKNGJBMVRXFFR-DTWKUNHWSA-N 1 2 299.302 1.793 10 5 CDBELO CCNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515322 346807004 /nfs/dbraw/zinc/80/70/04/346807004.db2.gz IUFWHWSCCLUHJK-UHFFFAOYSA-N 1 2 281.312 1.171 10 5 CDBELO CCNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515322 346807007 /nfs/dbraw/zinc/80/70/07/346807007.db2.gz IUFWHWSCCLUHJK-UHFFFAOYSA-N 1 2 281.312 1.171 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])n1C)CC2 ZINC000611846958 346892845 /nfs/dbraw/zinc/89/28/45/346892845.db2.gz OWPWAXINYWBGIM-UHFFFAOYSA-N 1 2 289.295 1.094 10 5 CDBELO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595492957 343076310 /nfs/dbraw/zinc/07/63/10/343076310.db2.gz IFEWIMJITZGWLR-SECBINFHSA-N 1 2 255.274 1.502 10 5 CDBELO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595492957 343076312 /nfs/dbraw/zinc/07/63/12/343076312.db2.gz IFEWIMJITZGWLR-SECBINFHSA-N 1 2 255.274 1.502 10 5 CDBELO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000595931682 343184678 /nfs/dbraw/zinc/18/46/78/343184678.db2.gz JVKMBSKBWXYVKF-MRVPVSSYSA-N 1 2 253.258 1.237 10 5 CDBELO NC(=O)[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039740 343943574 /nfs/dbraw/zinc/94/35/74/343943574.db2.gz XDNBXJOEBINFIR-JTQLQIEISA-N 1 2 286.291 1.455 10 5 CDBELO Cc1c[nH+]ccc1CCNc1ccncc1[N+](=O)[O-] ZINC000339058484 359283119 /nfs/dbraw/zinc/28/31/19/359283119.db2.gz PHJMNZRQEYQIKE-UHFFFAOYSA-N 1 2 258.281 1.770 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)C1CC1 ZINC000507132008 254096985 /nfs/dbraw/zinc/09/69/85/254096985.db2.gz HSVDSIXIDROFMT-UHFFFAOYSA-N 1 2 252.270 1.257 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)C1CC1 ZINC000507132008 254096988 /nfs/dbraw/zinc/09/69/88/254096988.db2.gz HSVDSIXIDROFMT-UHFFFAOYSA-N 1 2 252.270 1.257 10 5 CDBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000451137181 390602439 /nfs/dbraw/zinc/60/24/39/390602439.db2.gz HQNQNGUEZJAGAH-UHFFFAOYSA-N 1 2 257.315 1.352 10 5 CDBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000451137181 390602440 /nfs/dbraw/zinc/60/24/40/390602440.db2.gz HQNQNGUEZJAGAH-UHFFFAOYSA-N 1 2 257.315 1.352 10 5 CDBELO C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000399204863 391655677 /nfs/dbraw/zinc/65/56/77/391655677.db2.gz AIYKFEMDSQWETN-MNOVXSKESA-N 1 2 293.323 1.379 10 5 CDBELO C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000399204863 391655679 /nfs/dbraw/zinc/65/56/79/391655679.db2.gz AIYKFEMDSQWETN-MNOVXSKESA-N 1 2 293.323 1.379 10 5 CDBELO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000420999839 392924208 /nfs/dbraw/zinc/92/42/08/392924208.db2.gz CCEKBJDLWOUYMF-BXKDBHETSA-N 1 2 266.297 1.646 10 5 CDBELO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000420999839 392924209 /nfs/dbraw/zinc/92/42/09/392924209.db2.gz CCEKBJDLWOUYMF-BXKDBHETSA-N 1 2 266.297 1.646 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC000374692356 160308022 /nfs/dbraw/zinc/30/80/22/160308022.db2.gz HBEKDERUSKGEDO-UHFFFAOYSA-N 1 2 276.252 1.349 10 5 CDBELO CN(C)Nc1[nH+]cnc(Nc2ccccn2)c1[N+](=O)[O-] ZINC000040628685 174357471 /nfs/dbraw/zinc/35/74/71/174357471.db2.gz YIXJBBLNFDAVRE-UHFFFAOYSA-N 1 2 275.272 1.412 10 5 CDBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCO1 ZINC000152605857 289140316 /nfs/dbraw/zinc/14/03/16/289140316.db2.gz BZKBJNQHWGNAFH-UHFFFAOYSA-N 1 2 288.263 1.558 10 5 CDBELO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000577050193 317255340 /nfs/dbraw/zinc/25/53/40/317255340.db2.gz QSSCXQKLTXCCJR-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000577050193 317255344 /nfs/dbraw/zinc/25/53/44/317255344.db2.gz QSSCXQKLTXCCJR-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO CC[N@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816536 520300403 /nfs/dbraw/zinc/30/04/03/520300403.db2.gz DBGFCAXRTVTKBU-UHFFFAOYSA-N 1 2 294.355 1.547 10 5 CDBELO CC[N@@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816536 520300410 /nfs/dbraw/zinc/30/04/10/520300410.db2.gz DBGFCAXRTVTKBU-UHFFFAOYSA-N 1 2 294.355 1.547 10 5 CDBELO C[NH2+][C@](COc1cccc([N+](=O)[O-])c1)(C(=O)OC)C1CC1 ZINC000069194147 522530852 /nfs/dbraw/zinc/53/08/52/522530852.db2.gz AGGKPQIVHKUWDV-AWEZNQCLSA-N 1 2 294.307 1.515 10 5 CDBELO COCc1cc(NN)[nH+]c(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000051700589 522935576 /nfs/dbraw/zinc/93/55/76/522935576.db2.gz ATGNVZXJKQXCEJ-UHFFFAOYSA-N 1 2 289.295 1.792 10 5 CDBELO C[NH+](C)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000234241119 524039436 /nfs/dbraw/zinc/03/94/36/524039436.db2.gz QPBIZQWYPQAXCV-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816232 524111496 /nfs/dbraw/zinc/11/14/96/524111496.db2.gz MMUZGRROQQMYPG-GFCCVEGCSA-N 1 2 292.339 1.278 10 5 CDBELO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816232 524111503 /nfs/dbraw/zinc/11/15/03/524111503.db2.gz MMUZGRROQQMYPG-GFCCVEGCSA-N 1 2 292.339 1.278 10 5 CDBELO C[C@@H](C[NH+]1CCOCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000049509287 524631066 /nfs/dbraw/zinc/63/10/66/524631066.db2.gz ZQNFAIJJNMCOSJ-JTQLQIEISA-N 1 2 283.303 1.867 10 5 CDBELO Cc1cnc(OCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000188321966 526098865 /nfs/dbraw/zinc/09/88/65/526098865.db2.gz KQDVLSBQINLQAP-LLVKDONJSA-N 1 2 281.312 1.398 10 5 CDBELO Cc1cnc(OCC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000188321966 526098875 /nfs/dbraw/zinc/09/88/75/526098875.db2.gz KQDVLSBQINLQAP-LLVKDONJSA-N 1 2 281.312 1.398 10 5 CDBELO CC(C)c1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])o2)[nH+]1 ZINC001645473356 1167405529 /nfs/dbraw/zinc/40/55/29/1167405529.db2.gz DLFDYFHBEOQCDW-UHFFFAOYSA-N 1 2 278.268 1.964 10 5 CDBELO CC(C)c1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])o2)c[nH+]1 ZINC001645473356 1167405536 /nfs/dbraw/zinc/40/55/36/1167405536.db2.gz DLFDYFHBEOQCDW-UHFFFAOYSA-N 1 2 278.268 1.964 10 5 CDBELO O=C(NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1Cl ZINC000160407193 1178413398 /nfs/dbraw/zinc/41/33/98/1178413398.db2.gz CUCRVCXILQINIB-UHFFFAOYSA-N 1 2 294.698 1.875 10 5 CDBELO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844755769 731292937 /nfs/dbraw/zinc/29/29/37/731292937.db2.gz GMACCOQQQRHFHO-VIFPVBQESA-N 1 2 258.228 1.480 10 5 CDBELO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844755769 731292945 /nfs/dbraw/zinc/29/29/45/731292945.db2.gz GMACCOQQQRHFHO-VIFPVBQESA-N 1 2 258.228 1.480 10 5 CDBELO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865927973 731339162 /nfs/dbraw/zinc/33/91/62/731339162.db2.gz MNJHPLIRELFKFJ-JTQLQIEISA-N 1 2 268.292 1.836 10 5 CDBELO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865927973 731339165 /nfs/dbraw/zinc/33/91/65/731339165.db2.gz MNJHPLIRELFKFJ-JTQLQIEISA-N 1 2 268.292 1.836 10 5 CDBELO Cn1ncc([N+](=O)[O-])c1NC(=O)c1cccc2[nH+]ccn21 ZINC001269827159 904136788 /nfs/dbraw/zinc/13/67/88/904136788.db2.gz DQRHFNOVUWRTPK-UHFFFAOYSA-N 1 2 286.251 1.228 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149163839 936843249 /nfs/dbraw/zinc/84/32/49/936843249.db2.gz LEARETQDTQZYCH-RXMQYKEDSA-N 1 2 296.674 1.043 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000828724955 926173569 /nfs/dbraw/zinc/17/35/69/926173569.db2.gz OCGBSMBFMMIIGI-GXTWGEPZSA-N 1 2 293.367 1.573 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000828724955 926173576 /nfs/dbraw/zinc/17/35/76/926173576.db2.gz OCGBSMBFMMIIGI-GXTWGEPZSA-N 1 2 293.367 1.573 10 5 CDBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCc1[nH]cc[nH+]1 ZINC001444197753 965753702 /nfs/dbraw/zinc/75/37/02/965753702.db2.gz DNASDSDQFNWTJG-UHFFFAOYSA-N 1 2 292.270 1.358 10 5 CDBELO Cc1cnc(NCc2ccc[nH+]c2N)c([N+](=O)[O-])c1 ZINC001458379749 969292305 /nfs/dbraw/zinc/29/23/05/969292305.db2.gz GJZMQOAVNYWJJN-UHFFFAOYSA-N 1 2 259.269 1.888 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000594985804 342993843 /nfs/dbraw/zinc/99/38/43/342993843.db2.gz ADRXMWLIJDAPMX-CHWSQXEVSA-N 1 2 278.308 1.694 10 5 CDBELO Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598941383 343923845 /nfs/dbraw/zinc/92/38/45/343923845.db2.gz DGVNACPYJQEGSB-NSHDSACASA-N 1 2 286.291 1.454 10 5 CDBELO C[C@H](CNc1cc(F)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000302822858 362356450 /nfs/dbraw/zinc/35/64/50/362356450.db2.gz TXQZWVFVBUFIQP-SNVBAGLBSA-N 1 2 283.303 1.867 10 5 CDBELO CN(Cc1ccc(N)[nH+]c1)c1ccncc1[N+](=O)[O-] ZINC000361014202 357774073 /nfs/dbraw/zinc/77/40/73/357774073.db2.gz MMKKMTQWGGVJPO-UHFFFAOYSA-N 1 2 259.269 1.434 10 5 CDBELO C[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000408193647 358351647 /nfs/dbraw/zinc/35/16/47/358351647.db2.gz SNOPVEINLLEKOD-QMMMGPOBSA-N 1 2 270.720 1.784 10 5 CDBELO C[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000408193647 358351650 /nfs/dbraw/zinc/35/16/50/358351650.db2.gz SNOPVEINLLEKOD-QMMMGPOBSA-N 1 2 270.720 1.784 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000599161185 358730053 /nfs/dbraw/zinc/73/00/53/358730053.db2.gz VEPNESLIBNYLKA-LBPRGKRZSA-N 1 2 251.286 1.337 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000599161185 358730055 /nfs/dbraw/zinc/73/00/55/358730055.db2.gz VEPNESLIBNYLKA-LBPRGKRZSA-N 1 2 251.286 1.337 10 5 CDBELO Cc1nn(C)c(N(C)Cc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000135986647 360212902 /nfs/dbraw/zinc/21/29/02/360212902.db2.gz GQTCCBXMYNIRQC-UHFFFAOYSA-N 1 2 276.300 1.250 10 5 CDBELO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000170688445 368513917 /nfs/dbraw/zinc/51/39/17/368513917.db2.gz KVRGBLRWZNRJIC-LLVKDONJSA-N 1 2 293.323 1.644 10 5 CDBELO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000170688445 368513922 /nfs/dbraw/zinc/51/39/22/368513922.db2.gz KVRGBLRWZNRJIC-LLVKDONJSA-N 1 2 293.323 1.644 10 5 CDBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1csc([N+](=O)[O-])c1 ZINC000362408541 284118524 /nfs/dbraw/zinc/11/85/24/284118524.db2.gz VLKUXDWBQCKPIW-MRVPVSSYSA-N 1 2 292.320 1.667 10 5 CDBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1csc([N+](=O)[O-])c1 ZINC000362408541 284118529 /nfs/dbraw/zinc/11/85/29/284118529.db2.gz VLKUXDWBQCKPIW-MRVPVSSYSA-N 1 2 292.320 1.667 10 5 CDBELO CC(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000026464732 370579514 /nfs/dbraw/zinc/57/95/14/370579514.db2.gz DUXRZGRCDCFKKT-LLVKDONJSA-N 1 2 277.324 1.820 10 5 CDBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1F ZINC001663179715 1172652111 /nfs/dbraw/zinc/65/21/11/1172652111.db2.gz CCMHMHHFJMDUHK-DGCLKSJQSA-N 1 2 295.314 1.039 10 5 CDBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1F ZINC001663179715 1172652116 /nfs/dbraw/zinc/65/21/16/1172652116.db2.gz CCMHMHHFJMDUHK-DGCLKSJQSA-N 1 2 295.314 1.039 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412081211 391117340 /nfs/dbraw/zinc/11/73/40/391117340.db2.gz RLXKGVDCSPDFRN-UHIISALHSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412081211 391117341 /nfs/dbraw/zinc/11/73/41/391117341.db2.gz RLXKGVDCSPDFRN-UHIISALHSA-N 1 2 280.324 1.737 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348773935 392211905 /nfs/dbraw/zinc/21/19/05/392211905.db2.gz JYUOVZNZTAQOJG-NSHDSACASA-N 1 2 295.314 1.250 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348773935 392211908 /nfs/dbraw/zinc/21/19/08/392211908.db2.gz JYUOVZNZTAQOJG-NSHDSACASA-N 1 2 295.314 1.250 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425359427 393020117 /nfs/dbraw/zinc/02/01/17/393020117.db2.gz SJGKDJCNSDSINP-VIFPVBQESA-N 1 2 289.295 1.408 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425359427 393020127 /nfs/dbraw/zinc/02/01/27/393020127.db2.gz SJGKDJCNSDSINP-VIFPVBQESA-N 1 2 289.295 1.408 10 5 CDBELO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1c[nH+]c[nH]1 ZINC000362820861 159245879 /nfs/dbraw/zinc/24/58/79/159245879.db2.gz RWPRDISIIZNGCB-UHFFFAOYSA-N 1 2 296.233 1.455 10 5 CDBELO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1c[nH]c[nH+]1 ZINC000362820861 159245880 /nfs/dbraw/zinc/24/58/80/159245880.db2.gz RWPRDISIIZNGCB-UHFFFAOYSA-N 1 2 296.233 1.455 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285244356 196230818 /nfs/dbraw/zinc/23/08/18/196230818.db2.gz GUODPQOYJMHVIG-HNNXBMFYSA-N 1 2 292.335 1.976 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285244356 196230819 /nfs/dbraw/zinc/23/08/19/196230819.db2.gz GUODPQOYJMHVIG-HNNXBMFYSA-N 1 2 292.335 1.976 10 5 CDBELO CNc1ccc(C[N@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000050813453 522607009 /nfs/dbraw/zinc/60/70/09/522607009.db2.gz IREYMODMOVNHMA-UHFFFAOYSA-N 1 2 280.328 1.157 10 5 CDBELO CNc1ccc(C[N@@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000050813453 522607018 /nfs/dbraw/zinc/60/70/18/522607018.db2.gz IREYMODMOVNHMA-UHFFFAOYSA-N 1 2 280.328 1.157 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1CCO ZINC000762337006 576640140 /nfs/dbraw/zinc/64/01/40/576640140.db2.gz FBGWOCQKNQUYRX-LBPRGKRZSA-N 1 2 296.323 1.057 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1CCO ZINC000762337006 576640142 /nfs/dbraw/zinc/64/01/42/576640142.db2.gz FBGWOCQKNQUYRX-LBPRGKRZSA-N 1 2 296.323 1.057 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1CN1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001620643104 1165661654 /nfs/dbraw/zinc/66/16/54/1165661654.db2.gz VOKLGOXGSKVMOK-RYUDHWBXSA-N 1 2 295.314 1.528 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1CN1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001620643104 1165661663 /nfs/dbraw/zinc/66/16/63/1165661663.db2.gz VOKLGOXGSKVMOK-RYUDHWBXSA-N 1 2 295.314 1.528 10 5 CDBELO CN(CCCNc1nn(C)cc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001640329132 1167013642 /nfs/dbraw/zinc/01/36/42/1167013642.db2.gz AFGXXQWFNMGGQE-UHFFFAOYSA-N 1 2 290.327 1.662 10 5 CDBELO CCC[N@H+](CCNC(=O)CC)Cc1c([N+](=O)[O-])ncn1C ZINC001731863145 1182634949 /nfs/dbraw/zinc/63/49/49/1182634949.db2.gz XYDJOWSSQBFWLK-UHFFFAOYSA-N 1 2 297.359 1.067 10 5 CDBELO CCC[N@@H+](CCNC(=O)CC)Cc1c([N+](=O)[O-])ncn1C ZINC001731863145 1182634952 /nfs/dbraw/zinc/63/49/52/1182634952.db2.gz XYDJOWSSQBFWLK-UHFFFAOYSA-N 1 2 297.359 1.067 10 5 CDBELO C[C@@]12COC[C@]1(C)C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000853542768 735074655 /nfs/dbraw/zinc/07/46/55/735074655.db2.gz HUOACKAAVASTKX-TXEJJXNPSA-N 1 2 266.301 1.107 10 5 CDBELO C[C@@]12COC[C@]1(C)C[N@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000853542768 735074662 /nfs/dbraw/zinc/07/46/62/735074662.db2.gz HUOACKAAVASTKX-TXEJJXNPSA-N 1 2 266.301 1.107 10 5 CDBELO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001193485883 923725528 /nfs/dbraw/zinc/72/55/28/923725528.db2.gz VVQKWYOTXISVOY-WCQGTBRESA-N 1 2 290.323 1.076 10 5 CDBELO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001193485883 923725545 /nfs/dbraw/zinc/72/55/45/923725545.db2.gz VVQKWYOTXISVOY-WCQGTBRESA-N 1 2 290.323 1.076 10 5 CDBELO Nc1[nH+]cccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC001559193019 965411546 /nfs/dbraw/zinc/41/15/46/965411546.db2.gz PEQJDBJZIANLEY-UHFFFAOYSA-N 1 2 290.308 1.893 10 5 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IONQLZBNKOYNFK-NXEZZACHSA-N 1 2 272.326 1.238 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000594985806 342993870 /nfs/dbraw/zinc/99/38/70/342993870.db2.gz ADRXMWLIJDAPMX-QWHCGFSZSA-N 1 2 278.308 1.694 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)nc2c1 ZINC000595756945 343142507 /nfs/dbraw/zinc/14/25/07/343142507.db2.gz IWNKYLSPAUPFPP-LKFCYVNXSA-N 1 2 288.307 1.428 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)nc2c1 ZINC000595756945 343142509 /nfs/dbraw/zinc/14/25/09/343142509.db2.gz IWNKYLSPAUPFPP-LKFCYVNXSA-N 1 2 288.307 1.428 10 5 CDBELO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598940859 343923698 /nfs/dbraw/zinc/92/36/98/343923698.db2.gz AWTSAVBUVWKYNX-NSHDSACASA-N 1 2 286.291 1.075 10 5 CDBELO O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1F)CC[NH2+]C2 ZINC000601942631 344289020 /nfs/dbraw/zinc/28/90/20/344289020.db2.gz LREXFYHQEMRBJI-QMMMGPOBSA-N 1 2 278.243 1.046 10 5 CDBELO C[NH+]1CCN(C(=O)c2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC000085684525 179115263 /nfs/dbraw/zinc/11/52/63/179115263.db2.gz KQNBGZYKEWDGPX-UHFFFAOYSA-N 1 2 284.703 1.031 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOCC1CC1)CC2 ZINC000612468201 347181060 /nfs/dbraw/zinc/18/10/60/347181060.db2.gz PSWDYPOPILYPJX-UHFFFAOYSA-N 1 2 277.324 1.775 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOCC1CC1)CC2 ZINC000612468201 347181062 /nfs/dbraw/zinc/18/10/62/347181062.db2.gz PSWDYPOPILYPJX-UHFFFAOYSA-N 1 2 277.324 1.775 10 5 CDBELO C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C[NH+](C)C ZINC000293711315 362933472 /nfs/dbraw/zinc/93/34/72/362933472.db2.gz JEGUTKJOKYTDHF-SECBINFHSA-N 1 2 281.312 1.228 10 5 CDBELO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062983429 358820131 /nfs/dbraw/zinc/82/01/31/358820131.db2.gz ZYSFDYLHJBWXEY-NSHDSACASA-N 1 2 295.314 1.645 10 5 CDBELO Cc1ccc[nH+]c1CCNc1c([N+](=O)[O-])ncn1C ZINC000295691792 370571939 /nfs/dbraw/zinc/57/19/39/370571939.db2.gz IHIBDBYPVOEWFK-UHFFFAOYSA-N 1 2 261.285 1.686 10 5 CDBELO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000296137735 374372623 /nfs/dbraw/zinc/37/26/23/374372623.db2.gz JLKCESFJEYXGLT-GWCFXTLKSA-N 1 2 293.323 1.379 10 5 CDBELO C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000296137735 374372631 /nfs/dbraw/zinc/37/26/31/374372631.db2.gz JLKCESFJEYXGLT-GWCFXTLKSA-N 1 2 293.323 1.379 10 5 CDBELO C[C@@H]1COCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332245027 375021069 /nfs/dbraw/zinc/02/10/69/375021069.db2.gz WSEFUKSBDIIABG-JTQLQIEISA-N 1 2 266.297 1.769 10 5 CDBELO C[C@@H]1COCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332245027 375021075 /nfs/dbraw/zinc/02/10/75/375021075.db2.gz WSEFUKSBDIIABG-JTQLQIEISA-N 1 2 266.297 1.769 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185158328 285088793 /nfs/dbraw/zinc/08/87/93/285088793.db2.gz LSXPJOVPKZYPNH-MNOVXSKESA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185158328 285088795 /nfs/dbraw/zinc/08/87/95/285088795.db2.gz LSXPJOVPKZYPNH-MNOVXSKESA-N 1 2 286.715 1.176 10 5 CDBELO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000352527042 155252858 /nfs/dbraw/zinc/25/28/58/155252858.db2.gz VPGFFNOMFOWUKN-UHFFFAOYSA-N 1 2 296.323 1.987 10 5 CDBELO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000352527042 155252863 /nfs/dbraw/zinc/25/28/63/155252863.db2.gz VPGFFNOMFOWUKN-UHFFFAOYSA-N 1 2 296.323 1.987 10 5 CDBELO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1[nH]cc[nH+]1 ZINC000362771961 159235559 /nfs/dbraw/zinc/23/55/59/159235559.db2.gz CWBBGUHMNAKSBT-UHFFFAOYSA-N 1 2 296.233 1.455 10 5 CDBELO Cn1cc[nH+]c1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071275975 176106660 /nfs/dbraw/zinc/10/66/60/176106660.db2.gz QICSAGNIPOSTNI-UHFFFAOYSA-N 1 2 294.698 1.912 10 5 CDBELO CCn1nc(C)c([N+](=O)[O-])c1NCCc1cn(C)c[nH+]1 ZINC000313455496 260295779 /nfs/dbraw/zinc/29/57/79/260295779.db2.gz CHOZBYVZUXXDTR-UHFFFAOYSA-N 1 2 278.316 1.508 10 5 CDBELO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000574133833 294950123 /nfs/dbraw/zinc/95/01/23/294950123.db2.gz QDALTNAWGOMTJT-LDYMZIIASA-N 1 2 287.279 1.622 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000574451038 295001442 /nfs/dbraw/zinc/00/14/42/295001442.db2.gz ZKXKHBMRVJXEFV-SNVBAGLBSA-N 1 2 291.307 1.629 10 5 CDBELO C[NH2+][C@@](COc1ccccc1[N+](=O)[O-])(C(=O)OC)C1CC1 ZINC000069194192 522431386 /nfs/dbraw/zinc/43/13/86/522431386.db2.gz OECMCBVYALGSTO-CQSZACIVSA-N 1 2 294.307 1.515 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)N(C)C ZINC000183236962 525562445 /nfs/dbraw/zinc/56/24/45/525562445.db2.gz UVDOIXCIKOAGEY-UHFFFAOYSA-N 1 2 265.313 1.423 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)N(C)C ZINC000183236962 525562449 /nfs/dbraw/zinc/56/24/49/525562449.db2.gz UVDOIXCIKOAGEY-UHFFFAOYSA-N 1 2 265.313 1.423 10 5 CDBELO C[N@@H+]1CCO[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000121159884 536437850 /nfs/dbraw/zinc/43/78/50/536437850.db2.gz FQBMICZUWQBFRO-WDEREUQCSA-N 1 2 283.353 1.171 10 5 CDBELO C[N@H+]1CCO[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000121159884 536437852 /nfs/dbraw/zinc/43/78/52/536437852.db2.gz FQBMICZUWQBFRO-WDEREUQCSA-N 1 2 283.353 1.171 10 5 CDBELO Nc1[nH+]c2ccccc2cc1Cn1cnc([N+](=O)[O-])c1 ZINC000050829182 527562604 /nfs/dbraw/zinc/56/26/04/527562604.db2.gz VEOXXYNZOSEDHB-UHFFFAOYSA-N 1 2 269.264 1.970 10 5 CDBELO O=C(Cn1cc[nH+]c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756990099 577018711 /nfs/dbraw/zinc/01/87/11/577018711.db2.gz GIQCEIRVXPRPGC-UHFFFAOYSA-N 1 2 294.698 1.761 10 5 CDBELO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000898893194 621937855 /nfs/dbraw/zinc/93/78/55/621937855.db2.gz CZJLQROTZXJQEW-UHFFFAOYSA-N 1 2 288.307 1.956 10 5 CDBELO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC001170551840 1162848980 /nfs/dbraw/zinc/84/89/80/1162848980.db2.gz ZZLZVNCFJCXNEM-ZDUSSCGKSA-N 1 2 291.282 1.952 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccccc1[N+](=O)[O-] ZINC001642402826 1167172395 /nfs/dbraw/zinc/17/23/95/1167172395.db2.gz JDJQHGXGNDEWFI-SNVBAGLBSA-N 1 2 272.264 1.666 10 5 CDBELO COc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001566755266 1168409227 /nfs/dbraw/zinc/40/92/27/1168409227.db2.gz ZFJPILOACVOELC-UHFFFAOYSA-N 1 2 290.279 1.518 10 5 CDBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC001647343386 1168593639 /nfs/dbraw/zinc/59/36/39/1168593639.db2.gz QRZBUYVXECDSFL-UHFFFAOYSA-N 1 2 289.295 1.455 10 5 CDBELO [NH3+][C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000724728403 737274218 /nfs/dbraw/zinc/27/42/18/737274218.db2.gz UUKRHDNQJTYIGO-SECBINFHSA-N 1 2 273.239 1.194 10 5 CDBELO C[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000712530664 738180078 /nfs/dbraw/zinc/18/00/78/738180078.db2.gz PPSLVGZACDJSIC-SSDOTTSWSA-N 1 2 256.693 1.759 10 5 CDBELO C[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000712530664 738180081 /nfs/dbraw/zinc/18/00/81/738180081.db2.gz PPSLVGZACDJSIC-SSDOTTSWSA-N 1 2 256.693 1.759 10 5 CDBELO Cc1cn[nH]c1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175322389 913539775 /nfs/dbraw/zinc/53/97/75/913539775.db2.gz CNDJSFYPKFMXOX-CQSZACIVSA-N 1 2 290.323 1.624 10 5 CDBELO Cc1c[nH]nc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175322389 913539788 /nfs/dbraw/zinc/53/97/88/913539788.db2.gz CNDJSFYPKFMXOX-CQSZACIVSA-N 1 2 290.323 1.624 10 5 CDBELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331500780 957103937 /nfs/dbraw/zinc/10/39/37/957103937.db2.gz DOWYKHYBQXJSDB-CHWSQXEVSA-N 1 2 298.302 1.964 10 5 CDBELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331500780 957103946 /nfs/dbraw/zinc/10/39/46/957103946.db2.gz DOWYKHYBQXJSDB-CHWSQXEVSA-N 1 2 298.302 1.964 10 5 CDBELO CCNc1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)c[nH+]1 ZINC001559305148 960742605 /nfs/dbraw/zinc/74/26/05/960742605.db2.gz WZAZMDCNKTZDSX-UHFFFAOYSA-N 1 2 275.272 1.537 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC001527790202 968734349 /nfs/dbraw/zinc/73/43/49/968734349.db2.gz VXRXNEQOLVACME-UHFFFAOYSA-N 1 2 289.295 1.004 10 5 CDBELO Cc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]c1C ZINC001465747644 969895343 /nfs/dbraw/zinc/89/53/43/969895343.db2.gz HDHQLAITQFTWLK-UHFFFAOYSA-N 1 2 263.257 1.193 10 5 CDBELO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC001468255933 970140348 /nfs/dbraw/zinc/14/03/48/970140348.db2.gz FASHCIAQADNSCS-UXONFWTHSA-N 1 2 298.302 1.546 10 5 CDBELO COc1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)sn1 ZINC001654901163 1171647334 /nfs/dbraw/zinc/64/73/34/1171647334.db2.gz ZLXRJYAODSNWNM-UHFFFAOYSA-N 1 2 297.340 1.388 10 5 CDBELO COc1cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)sn1 ZINC001654901163 1171647339 /nfs/dbraw/zinc/64/73/39/1171647339.db2.gz ZLXRJYAODSNWNM-UHFFFAOYSA-N 1 2 297.340 1.388 10 5 CDBELO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])s1 ZINC000587051332 342474128 /nfs/dbraw/zinc/47/41/28/342474128.db2.gz LIZOCVFZEVXFGH-QMMMGPOBSA-N 1 2 292.320 1.598 10 5 CDBELO CCn1cc[nH+]c1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401178135 342481564 /nfs/dbraw/zinc/48/15/64/342481564.db2.gz ZDGKPZGXVOBDFP-UHFFFAOYSA-N 1 2 265.248 1.957 10 5 CDBELO COc1cccc([N+](=O)[O-])c1N(C)CC[NH+]1CCOCC1 ZINC000589112760 342497520 /nfs/dbraw/zinc/49/75/20/342497520.db2.gz AKMJMYYKQHZNCK-UHFFFAOYSA-N 1 2 295.339 1.372 10 5 CDBELO O=[N+]([O-])c1cnc(N2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000590567926 342576155 /nfs/dbraw/zinc/57/61/55/342576155.db2.gz XXSRWUAMUXKDDZ-UHFFFAOYSA-N 1 2 279.687 1.929 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1CN1CCc2[nH+]c[nH]c2C1 ZINC000599423121 344053412 /nfs/dbraw/zinc/05/34/12/344053412.db2.gz UCKUYVNBQIUFCY-UHFFFAOYSA-N 1 2 274.280 1.582 10 5 CDBELO C[C@H]1CN(c2ccncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000610576153 346316855 /nfs/dbraw/zinc/31/68/55/346316855.db2.gz VYOXVDJYFWQSPI-FZMZJTMJSA-N 1 2 292.339 1.147 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000066745789 348997399 /nfs/dbraw/zinc/99/73/99/348997399.db2.gz NOBKHVDNVWZDSS-CYBMUJFWSA-N 1 2 292.339 1.573 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000066745789 348997401 /nfs/dbraw/zinc/99/74/01/348997401.db2.gz NOBKHVDNVWZDSS-CYBMUJFWSA-N 1 2 292.339 1.573 10 5 CDBELO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000344556006 362937246 /nfs/dbraw/zinc/93/72/46/362937246.db2.gz YVTCNGIEGZMGDR-RKDXNWHRSA-N 1 2 254.286 1.407 10 5 CDBELO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1[NH+]1CCOCC1 ZINC000192481192 358206840 /nfs/dbraw/zinc/20/68/40/358206840.db2.gz ZQMABONJXUSBGU-UWVGGRQHSA-N 1 2 298.368 1.208 10 5 CDBELO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000262930373 358909000 /nfs/dbraw/zinc/90/90/00/358909000.db2.gz HTZUMGXTWIHZQF-GZMMTYOYSA-N 1 2 299.277 1.769 10 5 CDBELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000262930381 358909289 /nfs/dbraw/zinc/90/92/89/358909289.db2.gz HTZUMGXTWIHZQF-KWQFWETISA-N 1 2 299.277 1.769 10 5 CDBELO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000339160897 359300011 /nfs/dbraw/zinc/30/00/11/359300011.db2.gz NEUQNFQVSUEWAD-LBPRGKRZSA-N 1 2 279.296 1.011 10 5 CDBELO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000339160897 359300013 /nfs/dbraw/zinc/30/00/13/359300013.db2.gz NEUQNFQVSUEWAD-LBPRGKRZSA-N 1 2 279.296 1.011 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000271204813 366983895 /nfs/dbraw/zinc/98/38/95/366983895.db2.gz VOSJVNHRVOYITG-LBPRGKRZSA-N 1 2 291.351 1.956 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000271204813 366983901 /nfs/dbraw/zinc/98/39/01/366983901.db2.gz VOSJVNHRVOYITG-LBPRGKRZSA-N 1 2 291.351 1.956 10 5 CDBELO Cc1cc(SC[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000577367972 317314874 /nfs/dbraw/zinc/31/48/74/317314874.db2.gz GOOUPMDNNOYZIL-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO Cc1cc(SC[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000577367972 317314878 /nfs/dbraw/zinc/31/48/78/317314878.db2.gz GOOUPMDNNOYZIL-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO Cc1c(C[N@@H+]2CCOC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000168798609 371639594 /nfs/dbraw/zinc/63/95/94/371639594.db2.gz OAFRGCKNJWETDX-LBPRGKRZSA-N 1 2 266.297 1.096 10 5 CDBELO Cc1c(C[N@H+]2CCOC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000168798609 371639596 /nfs/dbraw/zinc/63/95/96/371639596.db2.gz OAFRGCKNJWETDX-LBPRGKRZSA-N 1 2 266.297 1.096 10 5 CDBELO CC[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226777293 375395227 /nfs/dbraw/zinc/39/52/27/375395227.db2.gz VLEWAPDJTLMLSH-MRVPVSSYSA-N 1 2 272.330 1.184 10 5 CDBELO CC[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226777293 375395233 /nfs/dbraw/zinc/39/52/33/375395233.db2.gz VLEWAPDJTLMLSH-MRVPVSSYSA-N 1 2 272.330 1.184 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000069896112 379080269 /nfs/dbraw/zinc/08/02/69/379080269.db2.gz CHAPEVDOSMIRAW-VXGBXAGGSA-N 1 2 294.355 1.819 10 5 CDBELO CCC[NH2+][C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000517563096 391170334 /nfs/dbraw/zinc/17/03/34/391170334.db2.gz HMZCXIVADJFKHU-MRVPVSSYSA-N 1 2 267.285 1.627 10 5 CDBELO Cc1[nH+]ccn1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000315160326 149258492 /nfs/dbraw/zinc/25/84/92/149258492.db2.gz WUXDNIQOFXBYRL-UHFFFAOYSA-N 1 2 290.279 1.235 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nccn1C ZINC000071273739 176105722 /nfs/dbraw/zinc/10/57/22/176105722.db2.gz PWYDGCNZMVNVRA-UHFFFAOYSA-N 1 2 276.296 1.627 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1CNCc1[nH+]ccn1C ZINC000071273739 176105723 /nfs/dbraw/zinc/10/57/23/176105723.db2.gz PWYDGCNZMVNVRA-UHFFFAOYSA-N 1 2 276.296 1.627 10 5 CDBELO NC(=O)c1coc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000189415938 270278026 /nfs/dbraw/zinc/27/80/26/270278026.db2.gz KFJMUGGMQNGGBO-UHFFFAOYSA-N 1 2 275.264 1.577 10 5 CDBELO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153393454 289167257 /nfs/dbraw/zinc/16/72/57/289167257.db2.gz NBZBWQQREZCKBU-JTQLQIEISA-N 1 2 289.335 1.620 10 5 CDBELO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153393454 289167260 /nfs/dbraw/zinc/16/72/60/289167260.db2.gz NBZBWQQREZCKBU-JTQLQIEISA-N 1 2 289.335 1.620 10 5 CDBELO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000384597428 323684919 /nfs/dbraw/zinc/68/49/19/323684919.db2.gz WLUBIGGBBOUIJD-SCZZXKLOSA-N 1 2 279.296 1.627 10 5 CDBELO CC[NH2+][C@H](CCOc1ccc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000062541796 520191546 /nfs/dbraw/zinc/19/15/46/520191546.db2.gz HYKBMISIMPUGLW-LLVKDONJSA-N 1 2 296.323 1.823 10 5 CDBELO CCOC(=O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726317 520790104 /nfs/dbraw/zinc/79/01/04/520790104.db2.gz OBNNVPNUKRYEIH-UHFFFAOYSA-N 1 2 252.270 1.290 10 5 CDBELO CCOC(=O)[C@H](CCOc1ccc([N+](=O)[O-])c(C)c1)[NH2+]C ZINC000062540023 521246744 /nfs/dbraw/zinc/24/67/44/521246744.db2.gz RIVYFWJYIITQMA-LBPRGKRZSA-N 1 2 296.323 1.823 10 5 CDBELO CNc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000050814328 522611027 /nfs/dbraw/zinc/61/10/27/522611027.db2.gz XZSIJIUGEYBOQC-LBPRGKRZSA-N 1 2 293.323 1.774 10 5 CDBELO CNc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000050814328 522611037 /nfs/dbraw/zinc/61/10/37/522611037.db2.gz XZSIJIUGEYBOQC-LBPRGKRZSA-N 1 2 293.323 1.774 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCNC(=O)CC1 ZINC000054867859 526084344 /nfs/dbraw/zinc/08/43/44/526084344.db2.gz GWBIZSAODOYCPD-SNVBAGLBSA-N 1 2 263.297 1.478 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCNC(=O)CC1 ZINC000054867859 526084353 /nfs/dbraw/zinc/08/43/53/526084353.db2.gz GWBIZSAODOYCPD-SNVBAGLBSA-N 1 2 263.297 1.478 10 5 CDBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000898482361 621753847 /nfs/dbraw/zinc/75/38/47/621753847.db2.gz AXIPUFXRYAUJPN-LLVKDONJSA-N 1 2 295.314 1.759 10 5 CDBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000898482361 621753850 /nfs/dbraw/zinc/75/38/50/621753850.db2.gz AXIPUFXRYAUJPN-LLVKDONJSA-N 1 2 295.314 1.759 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(Cc2ccc[nH+]c2N)c1=O ZINC001641008261 1167069817 /nfs/dbraw/zinc/06/98/17/1167069817.db2.gz LEGNRSLIPUQTIA-UHFFFAOYSA-N 1 2 260.253 1.090 10 5 CDBELO Cc1[nH]c(CNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]c1C ZINC001566257957 1168255151 /nfs/dbraw/zinc/25/51/51/1168255151.db2.gz MNEFWFIKYTYIBA-UHFFFAOYSA-N 1 2 268.317 1.478 10 5 CDBELO O=C1OCC[C@]12CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC001660693993 1172256038 /nfs/dbraw/zinc/25/60/38/1172256038.db2.gz HSWPWIIZENIICU-AWEZNQCLSA-N 1 2 292.291 1.439 10 5 CDBELO O=C1OCC[C@]12CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC001660693993 1172256047 /nfs/dbraw/zinc/25/60/47/1172256047.db2.gz HSWPWIIZENIICU-AWEZNQCLSA-N 1 2 292.291 1.439 10 5 CDBELO Cc1ncc([N+](=O)[O-])n1Cc1[nH+]ccn1CC(F)F ZINC000871650552 739621316 /nfs/dbraw/zinc/62/13/16/739621316.db2.gz YLVXGDRASBLTOE-UHFFFAOYSA-N 1 2 271.227 1.610 10 5 CDBELO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)nn1 ZINC000783664761 740111453 /nfs/dbraw/zinc/11/14/53/740111453.db2.gz MYLCVGMYQBJHLZ-UHFFFAOYSA-N 1 2 281.703 1.667 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000831170291 741932725 /nfs/dbraw/zinc/93/27/25/741932725.db2.gz QJINAASSEVJNHE-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000831170291 741932731 /nfs/dbraw/zinc/93/27/31/741932731.db2.gz QJINAASSEVJNHE-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO CCN(OC)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000842769655 742306775 /nfs/dbraw/zinc/30/67/75/742306775.db2.gz RGTPJOANKDPMSY-UHFFFAOYSA-N 1 2 285.275 1.233 10 5 CDBELO Cn1c[nH+]cc1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865815166 742153202 /nfs/dbraw/zinc/15/32/02/742153202.db2.gz VSAMXSHAGTXUME-UHFFFAOYSA-N 1 2 280.259 1.572 10 5 CDBELO CC(C)[C@@H](CNc1nn(C)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001184720023 919242453 /nfs/dbraw/zinc/24/24/53/919242453.db2.gz LZDXEMMXTMNVGJ-LLVKDONJSA-N 1 2 297.359 1.097 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001163061867 939188105 /nfs/dbraw/zinc/18/81/05/939188105.db2.gz ADLYJPJRGFEYBG-UHFFFAOYSA-N 1 2 275.268 1.541 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[NH+]2CCOCC2)n1 ZINC000611616132 346837445 /nfs/dbraw/zinc/83/74/45/346837445.db2.gz QICAIKIAYOEIKB-UHFFFAOYSA-N 1 2 294.355 1.375 10 5 CDBELO Cc1noc(C[N@H+](C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595298850 343027624 /nfs/dbraw/zinc/02/76/24/343027624.db2.gz UGIDJICQRUANJC-VIFPVBQESA-N 1 2 255.274 1.502 10 5 CDBELO Cc1noc(C[N@@H+](C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595298850 343027627 /nfs/dbraw/zinc/02/76/27/343027627.db2.gz UGIDJICQRUANJC-VIFPVBQESA-N 1 2 255.274 1.502 10 5 CDBELO C[C@]1(C(F)F)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595918174 343191325 /nfs/dbraw/zinc/19/13/25/343191325.db2.gz QFCMEIYLAXWNSM-LLVKDONJSA-N 1 2 290.270 1.147 10 5 CDBELO C[C@]1(C(F)F)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595918174 343191326 /nfs/dbraw/zinc/19/13/26/343191326.db2.gz QFCMEIYLAXWNSM-LLVKDONJSA-N 1 2 290.270 1.147 10 5 CDBELO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598649066 343857064 /nfs/dbraw/zinc/85/70/64/343857064.db2.gz UZYZMHDWNAOERZ-CMPLNLGQSA-N 1 2 280.324 1.751 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598649066 343857065 /nfs/dbraw/zinc/85/70/65/343857065.db2.gz UZYZMHDWNAOERZ-CMPLNLGQSA-N 1 2 280.324 1.751 10 5 CDBELO Cc1cc(NC[C@H]2COCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599161890 343971491 /nfs/dbraw/zinc/97/14/91/343971491.db2.gz XRYCKWZQLGCFLX-JTQLQIEISA-N 1 2 283.303 1.785 10 5 CDBELO Cc1cc(NC[C@H]2COCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599161890 343971493 /nfs/dbraw/zinc/97/14/93/343971493.db2.gz XRYCKWZQLGCFLX-JTQLQIEISA-N 1 2 283.303 1.785 10 5 CDBELO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2[nH+]ccn2c1 ZINC000609623093 345981374 /nfs/dbraw/zinc/98/13/74/345981374.db2.gz KYGWOZDZAUMTDI-UHFFFAOYSA-N 1 2 286.251 1.078 10 5 CDBELO COc1cc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1F ZINC000123567440 187098644 /nfs/dbraw/zinc/09/86/44/187098644.db2.gz FPSNEFYFACBHFU-VIFPVBQESA-N 1 2 299.302 1.485 10 5 CDBELO COc1cc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1F ZINC000123567440 187098645 /nfs/dbraw/zinc/09/86/45/187098645.db2.gz FPSNEFYFACBHFU-VIFPVBQESA-N 1 2 299.302 1.485 10 5 CDBELO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000516499435 363132058 /nfs/dbraw/zinc/13/20/58/363132058.db2.gz CUCPIZDPKJBWNA-SNVBAGLBSA-N 1 2 274.280 1.669 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000195010251 358405470 /nfs/dbraw/zinc/40/54/70/358405470.db2.gz FHGYVIKYGKVIEB-OAHLLOKOSA-N 1 2 292.335 1.895 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000195010251 358405473 /nfs/dbraw/zinc/40/54/73/358405473.db2.gz FHGYVIKYGKVIEB-OAHLLOKOSA-N 1 2 292.335 1.895 10 5 CDBELO CC1(C(N)=O)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000567790944 358734762 /nfs/dbraw/zinc/73/47/62/358734762.db2.gz BPZCPOQNNQFBFY-UHFFFAOYSA-N 1 2 267.260 1.041 10 5 CDBELO C[N@H+](CCCCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339136282 359299395 /nfs/dbraw/zinc/29/93/95/359299395.db2.gz JPSVLYCDRVPGDS-UHFFFAOYSA-N 1 2 268.313 1.895 10 5 CDBELO C[N@@H+](CCCCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339136282 359299401 /nfs/dbraw/zinc/29/94/01/359299401.db2.gz JPSVLYCDRVPGDS-UHFFFAOYSA-N 1 2 268.313 1.895 10 5 CDBELO COCC1(O)C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000297537861 200222724 /nfs/dbraw/zinc/22/27/24/200222724.db2.gz ONPZOPJAENBJPG-UHFFFAOYSA-N 1 2 266.297 1.096 10 5 CDBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000371280050 374414559 /nfs/dbraw/zinc/41/45/59/374414559.db2.gz MZIKZHPNPYOZOW-SNVBAGLBSA-N 1 2 286.291 1.605 10 5 CDBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000371280050 374414567 /nfs/dbraw/zinc/41/45/67/374414567.db2.gz MZIKZHPNPYOZOW-SNVBAGLBSA-N 1 2 286.291 1.605 10 5 CDBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000353231091 375589235 /nfs/dbraw/zinc/58/92/35/375589235.db2.gz PUEZMYWXZNKETB-UHFFFAOYSA-N 1 2 292.299 1.100 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189100793 296260430 /nfs/dbraw/zinc/26/04/30/296260430.db2.gz FOUCDJQZUQLMNP-SNVBAGLBSA-N 1 2 263.297 1.305 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000189100793 296260431 /nfs/dbraw/zinc/26/04/31/296260431.db2.gz FOUCDJQZUQLMNP-SNVBAGLBSA-N 1 2 263.297 1.305 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCCO1)CC2 ZINC000408196751 285184750 /nfs/dbraw/zinc/18/47/50/285184750.db2.gz FKLOFLJPVOKKGV-GFCCVEGCSA-N 1 2 263.297 1.527 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCCO1)CC2 ZINC000408196751 285184751 /nfs/dbraw/zinc/18/47/51/285184751.db2.gz FKLOFLJPVOKKGV-GFCCVEGCSA-N 1 2 263.297 1.527 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412072823 391111599 /nfs/dbraw/zinc/11/15/99/391111599.db2.gz LPJUHRIFVZHKGB-MFKMUULPSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412072823 391111603 /nfs/dbraw/zinc/11/16/03/391111603.db2.gz LPJUHRIFVZHKGB-MFKMUULPSA-N 1 2 266.297 1.176 10 5 CDBELO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000227880864 391907993 /nfs/dbraw/zinc/90/79/93/391907993.db2.gz LJNLPXUVUWGYFB-JTQLQIEISA-N 1 2 295.339 1.761 10 5 CDBELO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000227880864 391907996 /nfs/dbraw/zinc/90/79/96/391907996.db2.gz LJNLPXUVUWGYFB-JTQLQIEISA-N 1 2 295.339 1.761 10 5 CDBELO COc1ccc(C[NH+]2CC(C)(CO)C2)cc1[N+](=O)[O-] ZINC000459623312 392493508 /nfs/dbraw/zinc/49/35/08/392493508.db2.gz QSJDUNKMOQVRIS-UHFFFAOYSA-N 1 2 266.297 1.418 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000195131195 393067925 /nfs/dbraw/zinc/06/79/25/393067925.db2.gz CZUSLSRONYZXTR-UHFFFAOYSA-N 1 2 290.323 1.218 10 5 CDBELO Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187532085 140080170 /nfs/dbraw/zinc/08/01/70/140080170.db2.gz QYKRWPHQALAFQQ-OAHLLOKOSA-N 1 2 292.335 1.895 10 5 CDBELO Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187532085 140080172 /nfs/dbraw/zinc/08/01/72/140080172.db2.gz QYKRWPHQALAFQQ-OAHLLOKOSA-N 1 2 292.335 1.895 10 5 CDBELO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339126674 398093618 /nfs/dbraw/zinc/09/36/18/398093618.db2.gz SWHBFKIPEANMPR-ZANVPECISA-N 1 2 266.297 1.958 10 5 CDBELO COc1cc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352536091 155256633 /nfs/dbraw/zinc/25/66/33/155256633.db2.gz ZEAXJOCEUAGOSC-ZYHUDNBSSA-N 1 2 296.323 1.185 10 5 CDBELO COc1cc(C[N@H+]2C[C@H](CO)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352536091 155256638 /nfs/dbraw/zinc/25/66/38/155256638.db2.gz ZEAXJOCEUAGOSC-ZYHUDNBSSA-N 1 2 296.323 1.185 10 5 CDBELO O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000563094512 293272018 /nfs/dbraw/zinc/27/20/18/293272018.db2.gz LOOPZKIOHZZROU-VIFPVBQESA-N 1 2 279.296 1.629 10 5 CDBELO Cc1c(CNC(=O)C[NH+]2CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000563389333 316285341 /nfs/dbraw/zinc/28/53/41/316285341.db2.gz WYAQDRVYUNOOAW-UHFFFAOYSA-N 1 2 291.351 1.861 10 5 CDBELO CCNc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050812505 520302017 /nfs/dbraw/zinc/30/20/17/520302017.db2.gz MADQHJRZSGXMBA-GFCCVEGCSA-N 1 2 292.339 1.476 10 5 CDBELO CCNc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050812505 520302038 /nfs/dbraw/zinc/30/20/38/520302038.db2.gz MADQHJRZSGXMBA-GFCCVEGCSA-N 1 2 292.339 1.476 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCS(C)(=O)=O ZINC000183267911 525562651 /nfs/dbraw/zinc/56/26/51/525562651.db2.gz WTCALOOSXJSIOM-UHFFFAOYSA-N 1 2 286.353 1.380 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCS(C)(=O)=O ZINC000183267911 525562657 /nfs/dbraw/zinc/56/26/57/525562657.db2.gz WTCALOOSXJSIOM-UHFFFAOYSA-N 1 2 286.353 1.380 10 5 CDBELO Cn1ccc([C@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000905721297 626946160 /nfs/dbraw/zinc/94/61/60/626946160.db2.gz ZOZFNWMZYHLWKE-NSHDSACASA-N 1 2 290.327 1.362 10 5 CDBELO Cn1ccc([C@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000905721297 626946163 /nfs/dbraw/zinc/94/61/63/626946163.db2.gz ZOZFNWMZYHLWKE-NSHDSACASA-N 1 2 290.327 1.362 10 5 CDBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC001624203594 1165825871 /nfs/dbraw/zinc/82/58/71/1165825871.db2.gz BROHOZKTCJDFLD-UHFFFAOYSA-N 1 2 274.280 1.519 10 5 CDBELO CCc1[nH]c(CNC(=O)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC001597251159 1174264351 /nfs/dbraw/zinc/26/43/51/1174264351.db2.gz PMWPEOYMOXRBJI-UHFFFAOYSA-N 1 2 274.280 1.810 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC001597251159 1174264358 /nfs/dbraw/zinc/26/43/58/1174264358.db2.gz PMWPEOYMOXRBJI-UHFFFAOYSA-N 1 2 274.280 1.810 10 5 CDBELO COCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000786189532 748591812 /nfs/dbraw/zinc/59/18/12/748591812.db2.gz HSYMELLIDZMJOC-ZDUSSCGKSA-N 1 2 298.314 1.971 10 5 CDBELO COCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000786189532 748591824 /nfs/dbraw/zinc/59/18/24/748591824.db2.gz HSYMELLIDZMJOC-ZDUSSCGKSA-N 1 2 298.314 1.971 10 5 CDBELO CC[N@@H+]1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000712596530 748710333 /nfs/dbraw/zinc/71/03/33/748710333.db2.gz UYLFWNZSGPZSBU-LBPRGKRZSA-N 1 2 267.304 1.918 10 5 CDBELO CC[N@H+]1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000712596530 748710345 /nfs/dbraw/zinc/71/03/45/748710345.db2.gz UYLFWNZSGPZSBU-LBPRGKRZSA-N 1 2 267.304 1.918 10 5 CDBELO Cc1ccc(C[NH2+][C@H](C)c2cn(C)nn2)cc1[N+](=O)[O-] ZINC000720576170 748856156 /nfs/dbraw/zinc/85/61/56/748856156.db2.gz TYAWPMXOSKRXJP-SNVBAGLBSA-N 1 2 275.312 1.883 10 5 CDBELO C=C=CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001298423644 955187314 /nfs/dbraw/zinc/18/73/14/955187314.db2.gz HDKHYOPHQZUXJP-UHFFFAOYSA-N 1 2 284.275 1.851 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC001328557270 955341903 /nfs/dbraw/zinc/34/19/03/955341903.db2.gz OHYOHCLUKKWYIO-JTQLQIEISA-N 1 2 256.281 1.820 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC001328557270 955341916 /nfs/dbraw/zinc/34/19/16/955341916.db2.gz OHYOHCLUKKWYIO-JTQLQIEISA-N 1 2 256.281 1.820 10 5 CDBELO O=C(Cc1[nH]cc[nH+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001442079711 964858736 /nfs/dbraw/zinc/85/87/36/964858736.db2.gz MJMKNRLGYFLDPG-UHFFFAOYSA-N 1 2 274.280 1.219 10 5 CDBELO O=C([O-])C[NH+]1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001353898953 968322920 /nfs/dbraw/zinc/32/29/20/968322920.db2.gz CMENOPRVKSDSCQ-UHFFFAOYSA-N 1 2 293.323 1.233 10 5 CDBELO C[C@@H]1C[N@H+](CCNc2ncc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000601194389 342488603 /nfs/dbraw/zinc/48/86/03/342488603.db2.gz ZVTXJHJLMGXZEY-VHSXEESVSA-N 1 2 298.318 1.650 10 5 CDBELO C[C@@H]1C[N@@H+](CCNc2ncc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000601194389 342488604 /nfs/dbraw/zinc/48/86/04/342488604.db2.gz ZVTXJHJLMGXZEY-VHSXEESVSA-N 1 2 298.318 1.650 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1NCC1([NH+]2CCOCC2)CC1 ZINC000601154620 342483612 /nfs/dbraw/zinc/48/36/12/342483612.db2.gz QTUONSHMMINDTG-UHFFFAOYSA-N 1 2 296.302 1.406 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000590971972 342612348 /nfs/dbraw/zinc/61/23/48/342612348.db2.gz IKUPVWYMSJHSEX-ONGXEEELSA-N 1 2 266.322 1.990 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000590971972 342612349 /nfs/dbraw/zinc/61/23/49/342612349.db2.gz IKUPVWYMSJHSEX-ONGXEEELSA-N 1 2 266.322 1.990 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCn3cc[nH+]c3C2)n1 ZINC000611615936 346837610 /nfs/dbraw/zinc/83/76/10/346837610.db2.gz JLNCCBYMEZRPLC-UHFFFAOYSA-N 1 2 273.296 1.823 10 5 CDBELO CC(C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H](C)[NH3+] ZINC000592258583 342683524 /nfs/dbraw/zinc/68/35/24/342683524.db2.gz VYOOYQSIKHKYBF-PRHODGIISA-N 1 2 281.312 1.858 10 5 CDBELO Cc1c([C@H](C)[NH2+]Cc2cn(C)nn2)cccc1[N+](=O)[O-] ZINC000611973455 346941185 /nfs/dbraw/zinc/94/11/85/346941185.db2.gz CLCHKKHUMRFZOC-JTQLQIEISA-N 1 2 275.312 1.883 10 5 CDBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])s1 ZINC000598941835 343923535 /nfs/dbraw/zinc/92/35/35/343923535.db2.gz GILUSJGHIQGVEB-ZETCQYMHSA-N 1 2 278.293 1.208 10 5 CDBELO COc1cc(CN2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000599421348 344052916 /nfs/dbraw/zinc/05/29/16/344052916.db2.gz DKICCQNXXTUEDY-UHFFFAOYSA-N 1 2 288.307 1.885 10 5 CDBELO COC[C@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599690906 344121602 /nfs/dbraw/zinc/12/16/02/344121602.db2.gz BFXYMNNSVWIAEG-AWEZNQCLSA-N 1 2 280.324 1.832 10 5 CDBELO COC[C@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599690906 344121603 /nfs/dbraw/zinc/12/16/03/344121603.db2.gz BFXYMNNSVWIAEG-AWEZNQCLSA-N 1 2 280.324 1.832 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000601934521 344285294 /nfs/dbraw/zinc/28/52/94/344285294.db2.gz CFIXBMJBCWVHPO-JTQLQIEISA-N 1 2 274.280 1.215 10 5 CDBELO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614530027 348136222 /nfs/dbraw/zinc/13/62/22/348136222.db2.gz YKRVJFZTQKPMML-VIFPVBQESA-N 1 2 271.342 1.159 10 5 CDBELO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614530027 348136226 /nfs/dbraw/zinc/13/62/26/348136226.db2.gz YKRVJFZTQKPMML-VIFPVBQESA-N 1 2 271.342 1.159 10 5 CDBELO CCOC(=O)C(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000121519482 186978445 /nfs/dbraw/zinc/97/84/45/186978445.db2.gz MBFKDJUQSODGSN-UHFFFAOYSA-N 1 2 296.323 1.905 10 5 CDBELO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000361580052 358336906 /nfs/dbraw/zinc/33/69/06/358336906.db2.gz VPXHHQFNVMBDPK-GWCFXTLKSA-N 1 2 298.314 1.706 10 5 CDBELO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000361580052 358336907 /nfs/dbraw/zinc/33/69/07/358336907.db2.gz VPXHHQFNVMBDPK-GWCFXTLKSA-N 1 2 298.314 1.706 10 5 CDBELO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1[N+](=O)[O-] ZINC000338372677 359124535 /nfs/dbraw/zinc/12/45/35/359124535.db2.gz ULJZASDEKKFZOX-TXEJJXNPSA-N 1 2 294.307 1.203 10 5 CDBELO COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1[N+](=O)[O-] ZINC000338372677 359124537 /nfs/dbraw/zinc/12/45/37/359124537.db2.gz ULJZASDEKKFZOX-TXEJJXNPSA-N 1 2 294.307 1.203 10 5 CDBELO Cc1nn(C)c(NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000339004944 359268481 /nfs/dbraw/zinc/26/84/81/359268481.db2.gz ZUGRPORBGLJMPL-UHFFFAOYSA-N 1 2 290.327 1.710 10 5 CDBELO COCC1(O)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000270348649 360437100 /nfs/dbraw/zinc/43/71/00/360437100.db2.gz HCPKZQHHHZZWJE-UHFFFAOYSA-N 1 2 286.353 1.630 10 5 CDBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000367670468 364044478 /nfs/dbraw/zinc/04/44/78/364044478.db2.gz GBQVDCJUDMLVLA-UHFFFAOYSA-N 1 2 291.307 1.221 10 5 CDBELO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000568863461 294113237 /nfs/dbraw/zinc/11/32/37/294113237.db2.gz AMIFUWAXWJXHJX-MRVPVSSYSA-N 1 2 285.325 1.319 10 5 CDBELO C[N@@H+]1CCO[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000352081532 368066981 /nfs/dbraw/zinc/06/69/81/368066981.db2.gz FQBMICZUWQBFRO-GHMZBOCLSA-N 1 2 283.353 1.171 10 5 CDBELO C[N@H+]1CCO[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000352081532 368066989 /nfs/dbraw/zinc/06/69/89/368066989.db2.gz FQBMICZUWQBFRO-GHMZBOCLSA-N 1 2 283.353 1.171 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094772067 374846735 /nfs/dbraw/zinc/84/67/35/374846735.db2.gz IKASTWDXACREAO-SNVBAGLBSA-N 1 2 291.311 1.214 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094772067 374846738 /nfs/dbraw/zinc/84/67/38/374846738.db2.gz IKASTWDXACREAO-SNVBAGLBSA-N 1 2 291.311 1.214 10 5 CDBELO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279648269 374940436 /nfs/dbraw/zinc/94/04/36/374940436.db2.gz BJSMOYSMXOTLFH-VIFPVBQESA-N 1 2 256.327 1.859 10 5 CDBELO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279648269 374940441 /nfs/dbraw/zinc/94/04/41/374940441.db2.gz BJSMOYSMXOTLFH-VIFPVBQESA-N 1 2 256.327 1.859 10 5 CDBELO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282040159 393169928 /nfs/dbraw/zinc/16/99/28/393169928.db2.gz FXTGZPBOFIEQNM-NSHDSACASA-N 1 2 277.324 1.300 10 5 CDBELO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282040159 393169934 /nfs/dbraw/zinc/16/99/34/393169934.db2.gz FXTGZPBOFIEQNM-NSHDSACASA-N 1 2 277.324 1.300 10 5 CDBELO C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000281000759 393154417 /nfs/dbraw/zinc/15/44/17/393154417.db2.gz RFMARTLDXUSHKV-VIFPVBQESA-N 1 2 293.323 1.513 10 5 CDBELO CC[N@@H+]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000307899473 149183758 /nfs/dbraw/zinc/18/37/58/149183758.db2.gz QNCVVJMXNRDPJR-UHFFFAOYSA-N 1 2 293.323 1.468 10 5 CDBELO CC[N@H+]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000307899473 149183761 /nfs/dbraw/zinc/18/37/61/149183761.db2.gz QNCVVJMXNRDPJR-UHFFFAOYSA-N 1 2 293.323 1.468 10 5 CDBELO CCOC(=O)[C@H]([NH3+])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000044341046 175163890 /nfs/dbraw/zinc/16/38/90/175163890.db2.gz FKFZKXJVTUYINO-SECBINFHSA-N 1 2 256.233 1.167 10 5 CDBELO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339126673 288899013 /nfs/dbraw/zinc/89/90/13/288899013.db2.gz SWHBFKIPEANMPR-TVQRCGJNSA-N 1 2 266.297 1.958 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]cc2C)n1 ZINC000581167932 324668034 /nfs/dbraw/zinc/66/80/34/324668034.db2.gz WIJRCUAHNDSJIS-UHFFFAOYSA-N 1 2 289.295 1.497 10 5 CDBELO CC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183226283 519585230 /nfs/dbraw/zinc/58/52/30/519585230.db2.gz AKYWHIMDPFEMJH-UHFFFAOYSA-N 1 2 277.324 1.567 10 5 CDBELO C[NH2+][C@@](COc1ccc([N+](=O)[O-])cc1)(C(=O)OC)C1CC1 ZINC000069194432 522430437 /nfs/dbraw/zinc/43/04/37/522430437.db2.gz HUTCOQZQRQVPIU-CQSZACIVSA-N 1 2 294.307 1.515 10 5 CDBELO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050816234 524111876 /nfs/dbraw/zinc/11/18/76/524111876.db2.gz DYYAQDAUYIJJIU-CYBMUJFWSA-N 1 2 292.339 1.278 10 5 CDBELO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050816234 524111882 /nfs/dbraw/zinc/11/18/82/524111882.db2.gz DYYAQDAUYIJJIU-CYBMUJFWSA-N 1 2 292.339 1.278 10 5 CDBELO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1nnc2ccccn21 ZINC000930236643 753625172 /nfs/dbraw/zinc/62/51/72/753625172.db2.gz NXGAXYUMGHIDNM-LLVKDONJSA-N 1 2 263.301 1.293 10 5 CDBELO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CO ZINC000929864112 933282109 /nfs/dbraw/zinc/28/21/09/933282109.db2.gz UFCCDUZVTRQPAW-SNVBAGLBSA-N 1 2 274.704 1.033 10 5 CDBELO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CO ZINC000929864112 933282115 /nfs/dbraw/zinc/28/21/15/933282115.db2.gz UFCCDUZVTRQPAW-SNVBAGLBSA-N 1 2 274.704 1.033 10 5 CDBELO O=[N+]([O-])c1cnc(NCCn2cc[nH+]c2)c(F)c1 ZINC001458058317 969256856 /nfs/dbraw/zinc/25/68/56/969256856.db2.gz BTMWUWPKQUJKNN-UHFFFAOYSA-N 1 2 251.221 1.438 10 5 CDBELO O=C1NCCC[C@@H]1[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533800509 282151274 /nfs/dbraw/zinc/15/12/74/282151274.db2.gz AWRAVHWBMBAXDA-ZDUSSCGKSA-N 1 2 275.308 1.232 10 5 CDBELO O=C1NCCC[C@@H]1[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533800509 282151277 /nfs/dbraw/zinc/15/12/77/282151277.db2.gz AWRAVHWBMBAXDA-ZDUSSCGKSA-N 1 2 275.308 1.232 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CC2 ZINC000611847608 346892960 /nfs/dbraw/zinc/89/29/60/346892960.db2.gz WJRFPHAXMHHJRZ-UHFFFAOYSA-N 1 2 275.268 1.084 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)C1CCC1 ZINC000594956293 342983315 /nfs/dbraw/zinc/98/33/15/342983315.db2.gz JAPUAJBNZKUQPN-GFCCVEGCSA-N 1 2 266.297 1.551 10 5 CDBELO Cc1noc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1[N+](=O)[O-] ZINC000595455748 343067468 /nfs/dbraw/zinc/06/74/68/343067468.db2.gz UJJHPBIDSWMVRW-UHFFFAOYSA-N 1 2 290.279 1.550 10 5 CDBELO Cc1noc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c1[N+](=O)[O-] ZINC000595455748 343067469 /nfs/dbraw/zinc/06/74/69/343067469.db2.gz UJJHPBIDSWMVRW-UHFFFAOYSA-N 1 2 290.279 1.550 10 5 CDBELO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183328048 357458390 /nfs/dbraw/zinc/45/83/90/357458390.db2.gz XCTMRLWRDSQEOE-CYBMUJFWSA-N 1 2 277.324 1.614 10 5 CDBELO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183328048 357458397 /nfs/dbraw/zinc/45/83/97/357458397.db2.gz XCTMRLWRDSQEOE-CYBMUJFWSA-N 1 2 277.324 1.614 10 5 CDBELO CC[C@H]([NH2+]Cc1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000287025479 358082109 /nfs/dbraw/zinc/08/21/09/358082109.db2.gz LLKWYRVEPNBNTL-ZDUSSCGKSA-N 1 2 275.312 1.964 10 5 CDBELO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000361580053 358336872 /nfs/dbraw/zinc/33/68/72/358336872.db2.gz VPXHHQFNVMBDPK-GXFFZTMASA-N 1 2 298.314 1.706 10 5 CDBELO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000361580053 358336873 /nfs/dbraw/zinc/33/68/73/358336873.db2.gz VPXHHQFNVMBDPK-GXFFZTMASA-N 1 2 298.314 1.706 10 5 CDBELO O=C(NCCCn1cc[nH+]c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000350780731 358962394 /nfs/dbraw/zinc/96/23/94/358962394.db2.gz JCXUBTJAPJRUFI-UHFFFAOYSA-N 1 2 290.279 1.317 10 5 CDBELO O=C(NCCCn1cc[nH+]c1)c1cccc(O)c1[N+](=O)[O-] ZINC000350780731 358962397 /nfs/dbraw/zinc/96/23/97/358962397.db2.gz JCXUBTJAPJRUFI-UHFFFAOYSA-N 1 2 290.279 1.317 10 5 CDBELO C[C@@H]([NH3+])CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000572999302 360950338 /nfs/dbraw/zinc/95/03/38/360950338.db2.gz QQHAWNHUQOTDIQ-SSDOTTSWSA-N 1 2 253.258 1.366 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299657903 373742725 /nfs/dbraw/zinc/74/27/25/373742725.db2.gz PYCKASNFRKMQAX-LLVKDONJSA-N 1 2 288.307 1.918 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000194735848 375958385 /nfs/dbraw/zinc/95/83/85/375958385.db2.gz PGFLRARJQQEJAN-LBPRGKRZSA-N 1 2 294.311 1.047 10 5 CDBELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000194735848 375958389 /nfs/dbraw/zinc/95/83/89/375958389.db2.gz PGFLRARJQQEJAN-LBPRGKRZSA-N 1 2 294.311 1.047 10 5 CDBELO C[C@H](O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000412081209 391116985 /nfs/dbraw/zinc/11/69/85/391116985.db2.gz RLXKGVDCSPDFRN-MJVIPROJSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@H](O)[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000412081209 391116988 /nfs/dbraw/zinc/11/69/88/391116988.db2.gz RLXKGVDCSPDFRN-MJVIPROJSA-N 1 2 280.324 1.737 10 5 CDBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(CCO)C3)c2c1 ZINC000413233911 391183790 /nfs/dbraw/zinc/18/37/90/391183790.db2.gz VJJDYMBMXFIWOQ-UHFFFAOYSA-N 1 2 273.292 1.962 10 5 CDBELO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315945 140163654 /nfs/dbraw/zinc/16/36/54/140163654.db2.gz NHCSWEZZFXCLCR-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO O=C(NCCCn1cc[nH+]c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560834 140240450 /nfs/dbraw/zinc/24/04/50/140240450.db2.gz YPVHIDRTAUHXQF-UHFFFAOYSA-N 1 2 290.279 1.317 10 5 CDBELO O=[N+]([O-])c1c(-n2cc[nH+]c2)ncnc1N1CCCC1 ZINC000040609385 174353483 /nfs/dbraw/zinc/35/34/83/174353483.db2.gz RVAWNVBWNFCDCP-UHFFFAOYSA-N 1 2 260.257 1.171 10 5 CDBELO CCOC(=O)[C@@H]([NH3+])Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000044356313 175167413 /nfs/dbraw/zinc/16/74/13/175167413.db2.gz JMIWXOYEFIAKBO-VIFPVBQESA-N 1 2 272.688 1.681 10 5 CDBELO CNc1cc(Cn2cccc([N+](=O)[O-])c2=O)cc[nH+]1 ZINC000052733684 522568499 /nfs/dbraw/zinc/56/84/99/522568499.db2.gz LTBBUHCRIQIETC-UHFFFAOYSA-N 1 2 260.253 1.242 10 5 CDBELO CNc1cc(Cn2cc([N+](=O)[O-])ccc2=O)cc[nH+]1 ZINC000052732869 522568540 /nfs/dbraw/zinc/56/85/40/522568540.db2.gz DTUNYKGZNNGWDS-UHFFFAOYSA-N 1 2 260.253 1.242 10 5 CDBELO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cn1cc[nH+]c1)CC2 ZINC000773985705 575846941 /nfs/dbraw/zinc/84/69/41/575846941.db2.gz NPTWAVWUAYITCM-UHFFFAOYSA-N 1 2 286.291 1.689 10 5 CDBELO Cc1nc(NCc2[nH]c3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC001651451163 1171326676 /nfs/dbraw/zinc/32/66/76/1171326676.db2.gz KCYKNWXXXMCHIO-UHFFFAOYSA-N 1 2 288.311 1.907 10 5 CDBELO C[C@H]1CCN(c2nn(C)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC001655263783 1171683915 /nfs/dbraw/zinc/68/39/15/1171683915.db2.gz NNIQYDBFMXBMJL-WDEREUQCSA-N 1 2 290.327 1.612 10 5 CDBELO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])n1C ZINC001655886502 1171733171 /nfs/dbraw/zinc/73/31/71/1171733171.db2.gz NONUNDMOVSOWSG-LBPRGKRZSA-N 1 2 295.339 1.615 10 5 CDBELO COC(=O)c1ccc([C@@H]2CCCC[N@H+]2CC[N+](=O)[O-])n1C ZINC001655886502 1171733176 /nfs/dbraw/zinc/73/31/76/1171733176.db2.gz NONUNDMOVSOWSG-LBPRGKRZSA-N 1 2 295.339 1.615 10 5 CDBELO Cn1c[nH+]cc1CCOC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000793239650 754489428 /nfs/dbraw/zinc/48/94/28/754489428.db2.gz DBHRJLUIOOOPMU-UHFFFAOYSA-N 1 2 276.252 1.123 10 5 CDBELO CCn1ncc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000858443413 755195474 /nfs/dbraw/zinc/19/54/74/755195474.db2.gz COPWZGVJDOMMAV-VIFPVBQESA-N 1 2 290.327 1.639 10 5 CDBELO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844755768 758791271 /nfs/dbraw/zinc/79/12/71/758791271.db2.gz GMACCOQQQRHFHO-SECBINFHSA-N 1 2 258.228 1.480 10 5 CDBELO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844755768 758791277 /nfs/dbraw/zinc/79/12/77/758791277.db2.gz GMACCOQQQRHFHO-SECBINFHSA-N 1 2 258.228 1.480 10 5 CDBELO NC(=O)c1ccc(C[N@@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC001473561612 970817746 /nfs/dbraw/zinc/81/77/46/970817746.db2.gz QGQUHXBXFKVYAR-AWEZNQCLSA-N 1 2 291.307 1.059 10 5 CDBELO NC(=O)c1ccc(C[N@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC001473561612 970817758 /nfs/dbraw/zinc/81/77/58/970817758.db2.gz QGQUHXBXFKVYAR-AWEZNQCLSA-N 1 2 291.307 1.059 10 5 CDBELO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001557693911 965197848 /nfs/dbraw/zinc/19/78/48/965197848.db2.gz VRMXVCHHGJTFPS-SECBINFHSA-N 1 2 287.279 1.248 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001535317158 969566193 /nfs/dbraw/zinc/56/61/93/969566193.db2.gz YINOVKHWGUMVIF-UHFFFAOYSA-N 1 2 292.270 1.440 10 5 CDBELO NC(=O)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC001473153006 970759417 /nfs/dbraw/zinc/75/94/17/970759417.db2.gz RDONYBJFNVCIHI-UHFFFAOYSA-N 1 2 278.312 1.220 10 5 CDBELO NC(=O)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC001473153006 970759420 /nfs/dbraw/zinc/75/94/20/970759420.db2.gz RDONYBJFNVCIHI-UHFFFAOYSA-N 1 2 278.312 1.220 10 5 CDBELO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588070200 342492196 /nfs/dbraw/zinc/49/21/96/342492196.db2.gz OLQFRIKXJQDQKE-NEPJUHHUSA-N 1 2 292.339 1.289 10 5 CDBELO C[N@H+]1CCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000234337025 342043848 /nfs/dbraw/zinc/04/38/48/342043848.db2.gz VZGMPDDWVBGDLD-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593102127 342767757 /nfs/dbraw/zinc/76/77/57/342767757.db2.gz QGDZQPNGSZEMRZ-OAVHHTNSSA-N 1 2 266.322 1.300 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593102127 342767758 /nfs/dbraw/zinc/76/77/58/342767758.db2.gz QGDZQPNGSZEMRZ-OAVHHTNSSA-N 1 2 266.322 1.300 10 5 CDBELO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(C)c[nH+]1 ZINC000534300078 282181373 /nfs/dbraw/zinc/18/13/73/282181373.db2.gz LBXOFWZNDORCIN-UHFFFAOYSA-N 1 2 272.264 1.676 10 5 CDBELO COCc1n[nH]c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000595067159 343001969 /nfs/dbraw/zinc/00/19/69/343001969.db2.gz LRTMFVCTQOBYSO-VIFPVBQESA-N 1 2 291.311 1.710 10 5 CDBELO COC[C@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)OC ZINC000595424509 343056420 /nfs/dbraw/zinc/05/64/20/343056420.db2.gz NMYULEZNGXVUCJ-LBPRGKRZSA-N 1 2 281.312 1.009 10 5 CDBELO COC[C@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)OC ZINC000595424509 343056422 /nfs/dbraw/zinc/05/64/22/343056422.db2.gz NMYULEZNGXVUCJ-LBPRGKRZSA-N 1 2 281.312 1.009 10 5 CDBELO Cc1noc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1[N+](=O)[O-] ZINC000595543571 343093995 /nfs/dbraw/zinc/09/39/95/343093995.db2.gz NROJBTKUHOEYSH-JTQLQIEISA-N 1 2 296.327 1.380 10 5 CDBELO Cc1noc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1[N+](=O)[O-] ZINC000595543571 343093996 /nfs/dbraw/zinc/09/39/96/343093996.db2.gz NROJBTKUHOEYSH-JTQLQIEISA-N 1 2 296.327 1.380 10 5 CDBELO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595856716 343165063 /nfs/dbraw/zinc/16/50/63/343165063.db2.gz PVJMWGFSPHYWIF-DTORHVGOSA-N 1 2 283.284 1.275 10 5 CDBELO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595856716 343165066 /nfs/dbraw/zinc/16/50/66/343165066.db2.gz PVJMWGFSPHYWIF-DTORHVGOSA-N 1 2 283.284 1.275 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826432 343166956 /nfs/dbraw/zinc/16/69/56/343166956.db2.gz BPHXDYGXDPYGLK-CMPLNLGQSA-N 1 2 278.308 1.769 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826432 343166957 /nfs/dbraw/zinc/16/69/57/343166957.db2.gz BPHXDYGXDPYGLK-CMPLNLGQSA-N 1 2 278.308 1.769 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000595834886 343170534 /nfs/dbraw/zinc/17/05/34/343170534.db2.gz QCKKILAISGFXJM-UHFFFAOYSA-N 1 2 264.281 1.523 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC2(COC2)C1 ZINC000595834886 343170536 /nfs/dbraw/zinc/17/05/36/343170536.db2.gz QCKKILAISGFXJM-UHFFFAOYSA-N 1 2 264.281 1.523 10 5 CDBELO Cc1noc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1[N+](=O)[O-] ZINC000601977193 344305636 /nfs/dbraw/zinc/30/56/36/344305636.db2.gz SBPRLGOLRLBDCI-MRVPVSSYSA-N 1 2 291.254 1.747 10 5 CDBELO Cc1noc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1[N+](=O)[O-] ZINC000601977193 344305637 /nfs/dbraw/zinc/30/56/37/344305637.db2.gz SBPRLGOLRLBDCI-MRVPVSSYSA-N 1 2 291.254 1.747 10 5 CDBELO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1F ZINC000611502280 346806207 /nfs/dbraw/zinc/80/62/07/346806207.db2.gz QSJXKFRAWPQNNA-JOYOIKCWSA-N 1 2 295.314 1.874 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1F ZINC000611502280 346806208 /nfs/dbraw/zinc/80/62/08/346806208.db2.gz QSJXKFRAWPQNNA-JOYOIKCWSA-N 1 2 295.314 1.874 10 5 CDBELO [NH3+][C@]1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOC1 ZINC000085850963 179188251 /nfs/dbraw/zinc/18/82/51/179188251.db2.gz YYJBJWHMDXQKTN-GFCCVEGCSA-N 1 2 276.252 1.219 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@]2([NH3+])CCOC2)n1 ZINC000085851880 179188716 /nfs/dbraw/zinc/18/87/16/179188716.db2.gz ZRLCYTOPXOEYPM-CYBMUJFWSA-N 1 2 290.279 1.528 10 5 CDBELO CNC(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419890 348528076 /nfs/dbraw/zinc/52/80/76/348528076.db2.gz SCYNCCGCAMNCNM-SECBINFHSA-N 1 2 251.286 1.334 10 5 CDBELO CNC(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419890 348528078 /nfs/dbraw/zinc/52/80/78/348528078.db2.gz SCYNCCGCAMNCNM-SECBINFHSA-N 1 2 251.286 1.334 10 5 CDBELO CC[C@H]1CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292438065 198287706 /nfs/dbraw/zinc/28/77/06/198287706.db2.gz OFWPFNIENDQWBV-NSHDSACASA-N 1 2 298.364 1.853 10 5 CDBELO CC[C@H]1CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292438065 198287708 /nfs/dbraw/zinc/28/77/08/198287708.db2.gz OFWPFNIENDQWBV-NSHDSACASA-N 1 2 298.364 1.853 10 5 CDBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1cc[nH+]c1 ZINC000048561712 356600320 /nfs/dbraw/zinc/60/03/20/356600320.db2.gz OFAMJBZTYBTWJY-UHFFFAOYSA-N 1 2 274.280 1.450 10 5 CDBELO Cn1c[nH+]cc1Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357940470 359098259 /nfs/dbraw/zinc/09/82/59/359098259.db2.gz WUABMLIVOMUGSB-UHFFFAOYSA-N 1 2 285.263 1.969 10 5 CDBELO Cc1sc(C(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000298292040 200385332 /nfs/dbraw/zinc/38/53/32/200385332.db2.gz GDCDBGSWXGFNDS-UHFFFAOYSA-N 1 2 269.326 1.352 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421010231 374311170 /nfs/dbraw/zinc/31/11/70/374311170.db2.gz CIMWSKBQFAGLBO-CYBMUJFWSA-N 1 2 264.281 1.665 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@]12CCOC2 ZINC000421010231 374311182 /nfs/dbraw/zinc/31/11/82/374311182.db2.gz CIMWSKBQFAGLBO-CYBMUJFWSA-N 1 2 264.281 1.665 10 5 CDBELO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000531628973 374504199 /nfs/dbraw/zinc/50/41/99/374504199.db2.gz FSFXQYCPKAQGRW-UHFFFAOYSA-N 1 2 258.237 1.367 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(CCCn2cc[nH+]c2)c1=O ZINC000185627999 391735231 /nfs/dbraw/zinc/73/52/31/391735231.db2.gz IPOUYNHSSFVODM-UHFFFAOYSA-N 1 2 262.269 1.352 10 5 CDBELO CC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297301939 391859909 /nfs/dbraw/zinc/85/99/09/391859909.db2.gz ANINIHFUYILUFA-UHFFFAOYSA-N 1 2 278.312 1.091 10 5 CDBELO CC1(CO)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459619436 392492546 /nfs/dbraw/zinc/49/25/46/392492546.db2.gz IGWNCEOXVDCGSX-UHFFFAOYSA-N 1 2 254.261 1.548 10 5 CDBELO O=[N+]([O-])c1ccc(N2CC[NH+](CC3(F)CC3)CC2)cn1 ZINC000526969682 392972116 /nfs/dbraw/zinc/97/21/16/392972116.db2.gz OTDOJEHOHRWLHL-UHFFFAOYSA-N 1 2 280.303 1.614 10 5 CDBELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339117357 165060914 /nfs/dbraw/zinc/06/09/14/165060914.db2.gz GKNSTQQQNUNOKY-JOYOIKCWSA-N 1 2 294.307 1.684 10 5 CDBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339117357 165060915 /nfs/dbraw/zinc/06/09/15/165060915.db2.gz GKNSTQQQNUNOKY-JOYOIKCWSA-N 1 2 294.307 1.684 10 5 CDBELO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000331232535 289191696 /nfs/dbraw/zinc/19/16/96/289191696.db2.gz JIFNUOOYTULLJZ-NSHDSACASA-N 1 2 293.323 1.467 10 5 CDBELO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000453005107 290164053 /nfs/dbraw/zinc/16/40/53/290164053.db2.gz JVGXJYVRUALKMZ-RNCFNFMXSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000453005107 290164057 /nfs/dbraw/zinc/16/40/57/290164057.db2.gz JVGXJYVRUALKMZ-RNCFNFMXSA-N 1 2 291.307 1.077 10 5 CDBELO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000339137038 293154800 /nfs/dbraw/zinc/15/48/00/293154800.db2.gz PVJXGSATKCNRTD-JSGCOSHPSA-N 1 2 296.323 1.584 10 5 CDBELO CC[NH2+][C@H](CCOc1ccc([N+](=O)[O-])c(C)c1)C(=O)OC ZINC000062539948 520192909 /nfs/dbraw/zinc/19/29/09/520192909.db2.gz CDDHNWCEIRVACT-GFCCVEGCSA-N 1 2 296.323 1.823 10 5 CDBELO CCOC(=O)[C@@](C)(COc1cccc([N+](=O)[O-])c1)[NH2+]C ZINC000045461829 521148135 /nfs/dbraw/zinc/14/81/35/521148135.db2.gz NNMRJTXCIHZPCJ-CYBMUJFWSA-N 1 2 282.296 1.515 10 5 CDBELO COC(=O)[C@@H]([NH3+])COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442042 523600386 /nfs/dbraw/zinc/60/03/86/523600386.db2.gz NTTBTWJFDLPDLF-VIFPVBQESA-N 1 2 268.269 1.091 10 5 CDBELO Nc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000050711016 527501393 /nfs/dbraw/zinc/50/13/93/527501393.db2.gz UQCAHUQAEOULMA-UHFFFAOYSA-N 1 2 290.323 1.097 10 5 CDBELO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cn[nH]c1)C2 ZINC000769426106 575363387 /nfs/dbraw/zinc/36/33/87/575363387.db2.gz MKRWIKHBKRMWIW-UHFFFAOYSA-N 1 2 258.281 1.876 10 5 CDBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cn[nH]c1)C2 ZINC000769426106 575363390 /nfs/dbraw/zinc/36/33/90/575363390.db2.gz MKRWIKHBKRMWIW-UHFFFAOYSA-N 1 2 258.281 1.876 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806168478 617312131 /nfs/dbraw/zinc/31/21/31/617312131.db2.gz OBHCRIGACAJEPO-SNVBAGLBSA-N 1 2 275.312 1.883 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])o1 ZINC000857992424 769716057 /nfs/dbraw/zinc/71/60/57/769716057.db2.gz YCCFJVDSNZHKHA-SSDOTTSWSA-N 1 2 262.225 1.259 10 5 CDBELO CCn1ncc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000851908881 770789761 /nfs/dbraw/zinc/78/97/61/770789761.db2.gz TYDBALTYARPOBF-UHFFFAOYSA-N 1 2 288.311 1.160 10 5 CDBELO CCn1ncc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000851908881 770789777 /nfs/dbraw/zinc/78/97/77/770789777.db2.gz TYDBALTYARPOBF-UHFFFAOYSA-N 1 2 288.311 1.160 10 5 CDBELO CC[N@@H+]1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000712596527 772222690 /nfs/dbraw/zinc/22/26/90/772222690.db2.gz UYLFWNZSGPZSBU-GFCCVEGCSA-N 1 2 267.304 1.918 10 5 CDBELO CC[N@H+]1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000712596527 772222705 /nfs/dbraw/zinc/22/27/05/772222705.db2.gz UYLFWNZSGPZSBU-GFCCVEGCSA-N 1 2 267.304 1.918 10 5 CDBELO CCN1CC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000851869584 773346029 /nfs/dbraw/zinc/34/60/29/773346029.db2.gz LCGMLTFKSLSJII-CQSZACIVSA-N 1 2 289.335 1.574 10 5 CDBELO CCN1CC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000851869584 773346045 /nfs/dbraw/zinc/34/60/45/773346045.db2.gz LCGMLTFKSLSJII-CQSZACIVSA-N 1 2 289.335 1.574 10 5 CDBELO Cc1[nH]c(CNC(=O)c2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001149404558 937177367 /nfs/dbraw/zinc/17/73/67/937177367.db2.gz KTPFSVITCHVACQ-UHFFFAOYSA-N 1 2 274.280 1.865 10 5 CDBELO Cn1cc([C@H](CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001473362277 970780559 /nfs/dbraw/zinc/78/05/59/970780559.db2.gz ZCAVQXDGFWUFGA-JTQLQIEISA-N 1 2 282.325 1.213 10 5 CDBELO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001464256315 969779266 /nfs/dbraw/zinc/77/92/66/969779266.db2.gz NHSYQLWIOBBXGZ-GHMZBOCLSA-N 1 2 286.291 1.738 10 5 CDBELO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001464256315 969779271 /nfs/dbraw/zinc/77/92/71/969779271.db2.gz NHSYQLWIOBBXGZ-GHMZBOCLSA-N 1 2 286.291 1.738 10 5 CDBELO CO[C@H]1C[C@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000599194564 343978442 /nfs/dbraw/zinc/97/84/42/343978442.db2.gz REBAGWDIDVHJPN-XWEPSHTISA-N 1 2 262.269 1.482 10 5 CDBELO O=C1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1 ZINC000083170655 178349280 /nfs/dbraw/zinc/34/92/80/178349280.db2.gz ZDRZTUSDUVUVMF-UHFFFAOYSA-N 1 2 290.279 1.058 10 5 CDBELO O=C1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1 ZINC000083170655 178349281 /nfs/dbraw/zinc/34/92/81/178349281.db2.gz ZDRZTUSDUVUVMF-UHFFFAOYSA-N 1 2 290.279 1.058 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000593736717 342830820 /nfs/dbraw/zinc/83/08/20/342830820.db2.gz VYORAHQAFXHDBC-UHFFFAOYSA-N 1 2 292.299 1.199 10 5 CDBELO COC(=O)c1ccnc(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000598587720 343836351 /nfs/dbraw/zinc/83/63/51/343836351.db2.gz UMYVODOKDOSGSJ-UHFFFAOYSA-N 1 2 291.267 1.085 10 5 CDBELO CCOc1cccc(NC[C@H]2COCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000599161792 343971647 /nfs/dbraw/zinc/97/16/47/343971647.db2.gz VXYDMJHWDYYVJO-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO CCOc1cccc(NC[C@H]2COCC[N@H+]2C)c1[N+](=O)[O-] ZINC000599161792 343971649 /nfs/dbraw/zinc/97/16/49/343971649.db2.gz VXYDMJHWDYYVJO-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000566194248 357432166 /nfs/dbraw/zinc/43/21/66/357432166.db2.gz ZFFOVKKBKYNODI-BQBZGAKWSA-N 1 2 253.258 1.222 10 5 CDBELO CCC(=O)N1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000425522552 358698352 /nfs/dbraw/zinc/69/83/52/358698352.db2.gz WTYNTTDTARQLAK-UHFFFAOYSA-N 1 2 277.324 1.649 10 5 CDBELO CCC(=O)N1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000425522552 358698357 /nfs/dbraw/zinc/69/83/57/358698357.db2.gz WTYNTTDTARQLAK-UHFFFAOYSA-N 1 2 277.324 1.649 10 5 CDBELO C[N@@H+]1CCO[C@@H](CSCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000569926464 359271061 /nfs/dbraw/zinc/27/10/61/359271061.db2.gz HZDZEMHNXROKLS-GFCCVEGCSA-N 1 2 298.364 1.864 10 5 CDBELO C[N@H+]1CCO[C@@H](CSCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000569926464 359271063 /nfs/dbraw/zinc/27/10/63/359271063.db2.gz HZDZEMHNXROKLS-GFCCVEGCSA-N 1 2 298.364 1.864 10 5 CDBELO O=C(Cn1cc[nH+]c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000575053115 360684494 /nfs/dbraw/zinc/68/44/94/360684494.db2.gz SRWLQEHABFGLIF-UHFFFAOYSA-N 1 2 260.253 1.108 10 5 CDBELO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354465129 291299620 /nfs/dbraw/zinc/29/96/20/291299620.db2.gz SGLRXYDWGPECDL-UWVGGRQHSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354465129 291299624 /nfs/dbraw/zinc/29/96/24/291299624.db2.gz SGLRXYDWGPECDL-UWVGGRQHSA-N 1 2 293.323 1.465 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414568651 241263864 /nfs/dbraw/zinc/26/38/64/241263864.db2.gz HRKZVGXIBGQSGD-FZMZJTMJSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414568651 241263870 /nfs/dbraw/zinc/26/38/70/241263870.db2.gz HRKZVGXIBGQSGD-FZMZJTMJSA-N 1 2 280.324 1.485 10 5 CDBELO COc1cc(C[N@H+](C)CC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000351970430 375052706 /nfs/dbraw/zinc/05/27/06/375052706.db2.gz BMZDIBIQFSFCPA-UHFFFAOYSA-N 1 2 295.339 1.560 10 5 CDBELO COc1cc(C[N@@H+](C)CC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000351970430 375052711 /nfs/dbraw/zinc/05/27/11/375052711.db2.gz BMZDIBIQFSFCPA-UHFFFAOYSA-N 1 2 295.339 1.560 10 5 CDBELO CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000281038633 195078626 /nfs/dbraw/zinc/07/86/26/195078626.db2.gz WBHWEANUGWHNHI-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000281038633 195078628 /nfs/dbraw/zinc/07/86/28/195078628.db2.gz WBHWEANUGWHNHI-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CC[N@@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000288176808 285310284 /nfs/dbraw/zinc/31/02/84/285310284.db2.gz ASPNOYXPRNLNMG-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO CC[N@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000288176808 285310290 /nfs/dbraw/zinc/31/02/90/285310290.db2.gz ASPNOYXPRNLNMG-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO C[C@@H]1C[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548754904 392508925 /nfs/dbraw/zinc/50/89/25/392508925.db2.gz XCXIPCGHRHJTEQ-PHIMTYICSA-N 1 2 298.364 1.851 10 5 CDBELO C[C@@H]1C[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548754904 392508933 /nfs/dbraw/zinc/50/89/33/392508933.db2.gz XCXIPCGHRHJTEQ-PHIMTYICSA-N 1 2 298.364 1.851 10 5 CDBELO C[NH+](C)C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000217316766 140163273 /nfs/dbraw/zinc/16/32/73/140163273.db2.gz ZVBQURMRCZVWAV-UHFFFAOYSA-N 1 2 293.323 1.515 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000185966859 279156635 /nfs/dbraw/zinc/15/66/35/279156635.db2.gz XIMLFIOHNOBQEE-AWEZNQCLSA-N 1 2 295.314 1.964 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000185966859 279156636 /nfs/dbraw/zinc/15/66/36/279156636.db2.gz XIMLFIOHNOBQEE-AWEZNQCLSA-N 1 2 295.314 1.964 10 5 CDBELO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531758156 281832710 /nfs/dbraw/zinc/83/27/10/281832710.db2.gz RPTVEEJQKRVWQC-UHFFFAOYSA-N 1 2 289.295 1.349 10 5 CDBELO [NH3+]CC(F)(F)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000568898605 294122492 /nfs/dbraw/zinc/12/24/92/294122492.db2.gz NUPHHOXMBLRIII-UHFFFAOYSA-N 1 2 275.211 1.223 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000339207336 527371871 /nfs/dbraw/zinc/37/18/71/527371871.db2.gz MYAGCKFWHPNJSY-GFCCVEGCSA-N 1 2 288.307 1.944 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000339207336 527371874 /nfs/dbraw/zinc/37/18/74/527371874.db2.gz MYAGCKFWHPNJSY-GFCCVEGCSA-N 1 2 288.307 1.944 10 5 CDBELO Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000061680568 527494468 /nfs/dbraw/zinc/49/44/68/527494468.db2.gz YUOKLWISCOIFFP-UHFFFAOYSA-N 1 2 258.237 1.824 10 5 CDBELO Nc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000050815256 527504631 /nfs/dbraw/zinc/50/46/31/527504631.db2.gz WFJIVKYCRWQWPC-UONOGXRCSA-N 1 2 277.324 1.930 10 5 CDBELO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000050815256 527504635 /nfs/dbraw/zinc/50/46/35/527504635.db2.gz WFJIVKYCRWQWPC-UONOGXRCSA-N 1 2 277.324 1.930 10 5 CDBELO O=C(Nc1cn[nH]n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000789927502 774956042 /nfs/dbraw/zinc/95/60/42/774956042.db2.gz MOZLOSQNQAMCOW-UHFFFAOYSA-N 1 2 299.250 1.151 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cs1 ZINC000782609702 775900567 /nfs/dbraw/zinc/90/05/67/775900567.db2.gz PMNUQUXBTUPNBX-KOLCDFICSA-N 1 2 254.311 1.471 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cs1 ZINC000782609702 775900576 /nfs/dbraw/zinc/90/05/76/775900576.db2.gz PMNUQUXBTUPNBX-KOLCDFICSA-N 1 2 254.311 1.471 10 5 CDBELO CC(C)[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000812290595 777163758 /nfs/dbraw/zinc/16/37/58/777163758.db2.gz GVPXOBVNCBXBKL-SNVBAGLBSA-N 1 2 254.290 1.248 10 5 CDBELO CC(C)[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000812290595 777163763 /nfs/dbraw/zinc/16/37/63/777163763.db2.gz GVPXOBVNCBXBKL-SNVBAGLBSA-N 1 2 254.290 1.248 10 5 CDBELO CC(C)(C)OC(=O)N1CC([N@H+](CC[N+](=O)[O-])C2CCC2)C1 ZINC000930968920 777712107 /nfs/dbraw/zinc/71/21/07/777712107.db2.gz MSVREOACENMFJS-UHFFFAOYSA-N 1 2 299.371 1.737 10 5 CDBELO CC(C)(C)OC(=O)N1CC([N@@H+](CC[N+](=O)[O-])C2CCC2)C1 ZINC000930968920 777712119 /nfs/dbraw/zinc/71/21/19/777712119.db2.gz MSVREOACENMFJS-UHFFFAOYSA-N 1 2 299.371 1.737 10 5 CDBELO Cc1nn(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000812292090 779034018 /nfs/dbraw/zinc/03/40/18/779034018.db2.gz VIARQSCKAQPATN-LLVKDONJSA-N 1 2 268.317 1.557 10 5 CDBELO Cc1nn(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000812292090 779034022 /nfs/dbraw/zinc/03/40/22/779034022.db2.gz VIARQSCKAQPATN-LLVKDONJSA-N 1 2 268.317 1.557 10 5 CDBELO Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001171890514 911005933 /nfs/dbraw/zinc/00/59/33/911005933.db2.gz JFUIXTZFEOSTOD-UHFFFAOYSA-N 1 2 288.307 1.875 10 5 CDBELO Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC001171890514 911005954 /nfs/dbraw/zinc/00/59/54/911005954.db2.gz JFUIXTZFEOSTOD-UHFFFAOYSA-N 1 2 288.307 1.875 10 5 CDBELO O=C(Nc1ccn2cc[nH+]c2c1)c1c[nH]nc1[N+](=O)[O-] ZINC001448958485 967315450 /nfs/dbraw/zinc/31/54/50/967315450.db2.gz BAFLTMMLARQABR-UHFFFAOYSA-N 1 2 272.224 1.218 10 5 CDBELO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@H]2C1 ZINC000590444439 342546409 /nfs/dbraw/zinc/54/64/09/342546409.db2.gz LTASKRBWNCNDCF-PWSUYJOCSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@H]2C1 ZINC000590444439 342546410 /nfs/dbraw/zinc/54/64/10/342546410.db2.gz LTASKRBWNCNDCF-PWSUYJOCSA-N 1 2 291.307 1.077 10 5 CDBELO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000590334341 342536184 /nfs/dbraw/zinc/53/61/84/342536184.db2.gz ITRUFYYHNUHZBO-DGCLKSJQSA-N 1 2 293.323 1.513 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](O)[C@H]1C ZINC000590759053 342588568 /nfs/dbraw/zinc/58/85/68/342588568.db2.gz KKRCQKWHSJZMGS-MFKMUULPSA-N 1 2 293.323 1.297 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](O)[C@H]1C ZINC000590759053 342588569 /nfs/dbraw/zinc/58/85/69/342588569.db2.gz KKRCQKWHSJZMGS-MFKMUULPSA-N 1 2 293.323 1.297 10 5 CDBELO C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ncnn21 ZINC000594958199 342983879 /nfs/dbraw/zinc/98/38/79/342983879.db2.gz ZHXBQLXBVGYXAM-CABZTGNLSA-N 1 2 273.296 1.982 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cs1 ZINC000595767785 343145953 /nfs/dbraw/zinc/14/59/53/343145953.db2.gz OKXRZYSZCQFJDE-GXSJLCMTSA-N 1 2 254.311 1.613 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cs1 ZINC000595767785 343145956 /nfs/dbraw/zinc/14/59/56/343145956.db2.gz OKXRZYSZCQFJDE-GXSJLCMTSA-N 1 2 254.311 1.613 10 5 CDBELO C[C@@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000597993907 343683511 /nfs/dbraw/zinc/68/35/11/343683511.db2.gz VTHJATVWUAQXMJ-VIFPVBQESA-N 1 2 281.312 1.370 10 5 CDBELO COC[C@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599042146 343943536 /nfs/dbraw/zinc/94/35/36/343943536.db2.gz DBBDDOJGOQKZMT-CQSZACIVSA-N 1 2 291.307 1.952 10 5 CDBELO Cc1cc(NC[C@@H]2COCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599161894 343971534 /nfs/dbraw/zinc/97/15/34/343971534.db2.gz XRYCKWZQLGCFLX-SNVBAGLBSA-N 1 2 283.303 1.785 10 5 CDBELO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599161894 343971536 /nfs/dbraw/zinc/97/15/36/343971536.db2.gz XRYCKWZQLGCFLX-SNVBAGLBSA-N 1 2 283.303 1.785 10 5 CDBELO COC(=O)[C@H](CC(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000292554350 198330657 /nfs/dbraw/zinc/33/06/57/198330657.db2.gz YURNTHURWANNRV-LBPRGKRZSA-N 1 2 298.343 1.311 10 5 CDBELO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000292554350 198330659 /nfs/dbraw/zinc/33/06/59/198330659.db2.gz YURNTHURWANNRV-LBPRGKRZSA-N 1 2 298.343 1.311 10 5 CDBELO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])nc2)C1 ZINC000566161180 357427580 /nfs/dbraw/zinc/42/75/80/357427580.db2.gz WPZDMHJDTQVVAO-VIFPVBQESA-N 1 2 269.326 1.413 10 5 CDBELO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])nc2)C1 ZINC000566161180 357427582 /nfs/dbraw/zinc/42/75/82/357427582.db2.gz WPZDMHJDTQVVAO-VIFPVBQESA-N 1 2 269.326 1.413 10 5 CDBELO C[C@H]1C[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000569691955 359255691 /nfs/dbraw/zinc/25/56/91/359255691.db2.gz VRSQLPDWAQJJGT-IUCAKERBSA-N 1 2 279.296 1.627 10 5 CDBELO CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1[nH]cc[nH+]1 ZINC000347944231 359957061 /nfs/dbraw/zinc/95/70/61/359957061.db2.gz DRHNDRDRGYUYHL-NSHDSACASA-N 1 2 289.295 1.902 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CC[NH+]1CC2 ZINC000301777392 201190257 /nfs/dbraw/zinc/19/02/57/201190257.db2.gz LYPUCMDHLONJII-ZDUSSCGKSA-N 1 2 276.340 1.315 10 5 CDBELO O=C1CCCN1[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000270939383 366944822 /nfs/dbraw/zinc/94/48/22/366944822.db2.gz RHVXXKAJUFQWAL-NSHDSACASA-N 1 2 295.364 1.853 10 5 CDBELO O=C1CCCN1[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000270939383 366944829 /nfs/dbraw/zinc/94/48/29/366944829.db2.gz RHVXXKAJUFQWAL-NSHDSACASA-N 1 2 295.364 1.853 10 5 CDBELO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272406178 367721685 /nfs/dbraw/zinc/72/16/85/367721685.db2.gz NVEYPABZZOVUDQ-UHFFFAOYSA-N 1 2 281.312 1.372 10 5 CDBELO Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000272419343 367725261 /nfs/dbraw/zinc/72/52/61/367725261.db2.gz MXYCPIOZBZAKOX-UHFFFAOYSA-N 1 2 275.268 1.592 10 5 CDBELO Cn1ncc2c1nc(NCc1cccc([N+](=O)[O-])c1)[nH+]c2N ZINC000302878382 375264986 /nfs/dbraw/zinc/26/49/86/375264986.db2.gz HCLPKJUZYHAYDZ-UHFFFAOYSA-N 1 2 299.294 1.466 10 5 CDBELO CC(C)OC(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353003626 375563103 /nfs/dbraw/zinc/56/31/03/375563103.db2.gz KAFAEWZFFMNTPB-UHFFFAOYSA-N 1 2 293.323 1.690 10 5 CDBELO CC(C)OC(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353003626 375563106 /nfs/dbraw/zinc/56/31/06/375563106.db2.gz KAFAEWZFFMNTPB-UHFFFAOYSA-N 1 2 293.323 1.690 10 5 CDBELO Cn1c[nH+]cc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000357589884 375920157 /nfs/dbraw/zinc/92/01/57/375920157.db2.gz CRHKGEORROAGTO-UHFFFAOYSA-N 1 2 267.676 1.989 10 5 CDBELO C[NH+](C)CCOC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000584644719 391505580 /nfs/dbraw/zinc/50/55/80/391505580.db2.gz AVYWAQKEFRBJPP-UHFFFAOYSA-N 1 2 269.326 1.870 10 5 CDBELO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000292169316 391532342 /nfs/dbraw/zinc/53/23/42/391532342.db2.gz XDGMRCFSGCZSJI-SNVBAGLBSA-N 1 2 295.339 1.759 10 5 CDBELO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000292169316 391532343 /nfs/dbraw/zinc/53/23/43/391532343.db2.gz XDGMRCFSGCZSJI-SNVBAGLBSA-N 1 2 295.339 1.759 10 5 CDBELO C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265527586 391626973 /nfs/dbraw/zinc/62/69/73/391626973.db2.gz MZUPTLMEUZMZOL-UHFFFAOYSA-N 1 2 256.693 1.395 10 5 CDBELO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000186820694 391838517 /nfs/dbraw/zinc/83/85/17/391838517.db2.gz XGDWPZMKQXAQBV-UHFFFAOYSA-N 1 2 268.288 1.938 10 5 CDBELO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000186820694 391838523 /nfs/dbraw/zinc/83/85/23/391838523.db2.gz XGDWPZMKQXAQBV-UHFFFAOYSA-N 1 2 268.288 1.938 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000399907659 270375563 /nfs/dbraw/zinc/37/55/63/270375563.db2.gz MMEFIARVEOQDSM-NSHDSACASA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000399907659 270375565 /nfs/dbraw/zinc/37/55/65/270375565.db2.gz MMEFIARVEOQDSM-NSHDSACASA-N 1 2 286.715 1.441 10 5 CDBELO C[NH2+][C@@](COc1cccc([N+](=O)[O-])c1)(C(=O)OC)C1CC1 ZINC000069194150 522430670 /nfs/dbraw/zinc/43/06/70/522430670.db2.gz AGGKPQIVHKUWDV-CQSZACIVSA-N 1 2 294.307 1.515 10 5 CDBELO COC(=O)[C@H]([NH3+])COc1cc([N+](=O)[O-])ccc1Cl ZINC000069507966 523912795 /nfs/dbraw/zinc/91/27/95/523912795.db2.gz WERXEWIZEHKOMF-MRVPVSSYSA-N 1 2 274.660 1.127 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCNC(=O)CC1 ZINC000054867858 526079585 /nfs/dbraw/zinc/07/95/85/526079585.db2.gz GWBIZSAODOYCPD-JTQLQIEISA-N 1 2 263.297 1.478 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCNC(=O)CC1 ZINC000054867858 526079597 /nfs/dbraw/zinc/07/95/97/526079597.db2.gz GWBIZSAODOYCPD-JTQLQIEISA-N 1 2 263.297 1.478 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761089184 576546440 /nfs/dbraw/zinc/54/64/40/576546440.db2.gz GVKFTZCJEMPXAE-MFKMUULPSA-N 1 2 275.308 1.936 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761089184 576546441 /nfs/dbraw/zinc/54/64/41/576546441.db2.gz GVKFTZCJEMPXAE-MFKMUULPSA-N 1 2 275.308 1.936 10 5 CDBELO Cn1c[nH+]c(CCNc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001651128789 1171289515 /nfs/dbraw/zinc/28/95/15/1171289515.db2.gz NRSRCIWMVDTBPB-UHFFFAOYSA-N 1 2 298.306 1.926 10 5 CDBELO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC001655692239 1171716114 /nfs/dbraw/zinc/71/61/14/1171716114.db2.gz GOPWPBFDQOKAAO-NSHDSACASA-N 1 2 296.327 1.286 10 5 CDBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000312408409 1186699137 /nfs/dbraw/zinc/69/91/37/1186699137.db2.gz WNSDOAPYQSPOPH-UHFFFAOYSA-N 1 2 281.287 1.430 10 5 CDBELO Cc1c(CNC(=O)C[C@H]([NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000724704929 897205673 /nfs/dbraw/zinc/20/56/73/897205673.db2.gz VZZFVSMLFZEZHG-VIFPVBQESA-N 1 2 287.266 1.502 10 5 CDBELO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000687592554 902225443 /nfs/dbraw/zinc/22/54/43/902225443.db2.gz JRLYSZKYOVJTNI-SNVBAGLBSA-N 1 2 285.731 1.361 10 5 CDBELO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000687592554 902225448 /nfs/dbraw/zinc/22/54/48/902225448.db2.gz JRLYSZKYOVJTNI-SNVBAGLBSA-N 1 2 285.731 1.361 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC001163053810 939186295 /nfs/dbraw/zinc/18/62/95/939186295.db2.gz DCYUAKQSSWRFKW-UHFFFAOYSA-N 1 2 289.295 1.931 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC001163053810 939186298 /nfs/dbraw/zinc/18/62/98/939186298.db2.gz DCYUAKQSSWRFKW-UHFFFAOYSA-N 1 2 289.295 1.931 10 5 CDBELO C[N@H+](CCN1CCCC1=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093320163 342452891 /nfs/dbraw/zinc/45/28/91/342452891.db2.gz IJJQIMBDRLMMIZ-UHFFFAOYSA-N 1 2 293.323 1.355 10 5 CDBELO C[N@@H+](CCN1CCCC1=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093320163 342452892 /nfs/dbraw/zinc/45/28/92/342452892.db2.gz IJJQIMBDRLMMIZ-UHFFFAOYSA-N 1 2 293.323 1.355 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593099788 342766896 /nfs/dbraw/zinc/76/68/96/342766896.db2.gz IQNXSFVAJWQCGX-SULUTDIPSA-N 1 2 296.348 1.179 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593099788 342766897 /nfs/dbraw/zinc/76/68/97/342766897.db2.gz IQNXSFVAJWQCGX-SULUTDIPSA-N 1 2 296.348 1.179 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000595443866 343062867 /nfs/dbraw/zinc/06/28/67/343062867.db2.gz CGFVLGHJBYKFPD-AWEZNQCLSA-N 1 2 296.298 1.725 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000595443866 343062868 /nfs/dbraw/zinc/06/28/68/343062868.db2.gz CGFVLGHJBYKFPD-AWEZNQCLSA-N 1 2 296.298 1.725 10 5 CDBELO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126727434 187258571 /nfs/dbraw/zinc/25/85/71/187258571.db2.gz VPMRSFMEQDNIKT-WNWIJWBNSA-N 1 2 276.383 1.855 10 5 CDBELO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126727434 187258572 /nfs/dbraw/zinc/25/85/72/187258572.db2.gz VPMRSFMEQDNIKT-WNWIJWBNSA-N 1 2 276.383 1.855 10 5 CDBELO C[C@H](C[S@](C)=O)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126727652 187258693 /nfs/dbraw/zinc/25/86/93/187258693.db2.gz VPMRSFMEQDNIKT-CQLKUDPESA-N 1 2 276.383 1.855 10 5 CDBELO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126727652 187258694 /nfs/dbraw/zinc/25/86/94/187258694.db2.gz VPMRSFMEQDNIKT-CQLKUDPESA-N 1 2 276.383 1.855 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NC[C@H]2COCC[N@H+]2C)c1 ZINC000599159512 343970303 /nfs/dbraw/zinc/97/03/03/343970303.db2.gz CJLVENHYXJHSJI-NSHDSACASA-N 1 2 265.313 1.646 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NC[C@H]2COCC[N@@H+]2C)c1 ZINC000599159512 343970306 /nfs/dbraw/zinc/97/03/06/343970306.db2.gz CJLVENHYXJHSJI-NSHDSACASA-N 1 2 265.313 1.646 10 5 CDBELO COc1cc(NC[C@@H]2COCC[N@@H+]2C)c([N+](=O)[O-])cc1C ZINC000599161545 343971764 /nfs/dbraw/zinc/97/17/64/343971764.db2.gz RFSDLNLJHQPNKV-LLVKDONJSA-N 1 2 295.339 1.654 10 5 CDBELO COc1cc(NC[C@@H]2COCC[N@H+]2C)c([N+](=O)[O-])cc1C ZINC000599161545 343971767 /nfs/dbraw/zinc/97/17/67/343971767.db2.gz RFSDLNLJHQPNKV-LLVKDONJSA-N 1 2 295.339 1.654 10 5 CDBELO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC000602715262 344554482 /nfs/dbraw/zinc/55/44/82/344554482.db2.gz YYWRAXULEWOBFP-UHFFFAOYSA-N 1 2 263.253 1.881 10 5 CDBELO C[N@H+](CCn1cnnc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001660012838 1172150186 /nfs/dbraw/zinc/15/01/86/1172150186.db2.gz WPZQJNRAFQHZIF-UHFFFAOYSA-N 1 2 295.730 1.972 10 5 CDBELO C[N@@H+](CCn1cnnc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001660012838 1172150190 /nfs/dbraw/zinc/15/01/90/1172150190.db2.gz WPZQJNRAFQHZIF-UHFFFAOYSA-N 1 2 295.730 1.972 10 5 CDBELO O=C1C[C@]2(CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CN1 ZINC000578147144 356171220 /nfs/dbraw/zinc/17/12/20/356171220.db2.gz RYOMYCCFZCPTQA-CQSZACIVSA-N 1 2 291.307 1.012 10 5 CDBELO O=C1C[C@]2(CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CN1 ZINC000578147144 356171223 /nfs/dbraw/zinc/17/12/23/356171223.db2.gz RYOMYCCFZCPTQA-CQSZACIVSA-N 1 2 291.307 1.012 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H](O)C2)c(Cl)c1 ZINC000294675006 199129673 /nfs/dbraw/zinc/12/96/73/199129673.db2.gz BBOUDMGRXHOENM-LLVKDONJSA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(Cl)c1 ZINC000294675006 199129674 /nfs/dbraw/zinc/12/96/74/199129674.db2.gz BBOUDMGRXHOENM-LLVKDONJSA-N 1 2 286.715 1.441 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134223256 358969453 /nfs/dbraw/zinc/96/94/53/358969453.db2.gz ZYQJBUTVBFQXLI-JTQLQIEISA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134223256 358969457 /nfs/dbraw/zinc/96/94/57/358969457.db2.gz ZYQJBUTVBFQXLI-JTQLQIEISA-N 1 2 269.276 1.476 10 5 CDBELO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339086233 359293214 /nfs/dbraw/zinc/29/32/14/359293214.db2.gz YBLRQVCGBCMIST-ZJUUUORDSA-N 1 2 296.323 1.978 10 5 CDBELO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330459028 367786989 /nfs/dbraw/zinc/78/69/89/367786989.db2.gz STAXZTDMJXPKBT-TVQRCGJNSA-N 1 2 266.297 1.503 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330459028 367786995 /nfs/dbraw/zinc/78/69/95/367786995.db2.gz STAXZTDMJXPKBT-TVQRCGJNSA-N 1 2 266.297 1.503 10 5 CDBELO O=C(C[NH+]1CCSCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000069807653 378829003 /nfs/dbraw/zinc/82/90/03/378829003.db2.gz QNGXMNUKIPTTFA-UHFFFAOYSA-N 1 2 281.337 1.582 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189082113 140107440 /nfs/dbraw/zinc/10/74/40/140107440.db2.gz DGABHYHOSJZCLR-SNVBAGLBSA-N 1 2 263.297 1.305 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000189082113 140107441 /nfs/dbraw/zinc/10/74/41/140107441.db2.gz DGABHYHOSJZCLR-SNVBAGLBSA-N 1 2 263.297 1.305 10 5 CDBELO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000217315910 140163697 /nfs/dbraw/zinc/16/36/97/140163697.db2.gz XDYJWOJXRBLTID-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000236309384 140240375 /nfs/dbraw/zinc/24/03/75/140240375.db2.gz LHZPZGHSMPEXQX-HTQZYQBOSA-N 1 2 265.269 1.366 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000070991544 176020264 /nfs/dbraw/zinc/02/02/64/176020264.db2.gz XPTTUMGHIXZFEP-UHFFFAOYSA-N 1 2 260.253 1.556 10 5 CDBELO Cn1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000153128585 289158259 /nfs/dbraw/zinc/15/82/59/289158259.db2.gz PBEVAEGNWSVSQR-UHFFFAOYSA-N 1 2 272.308 1.887 10 5 CDBELO Cn1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000153128585 289158261 /nfs/dbraw/zinc/15/82/61/289158261.db2.gz PBEVAEGNWSVSQR-UHFFFAOYSA-N 1 2 272.308 1.887 10 5 CDBELO Cc1sc(C(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000541550703 289498042 /nfs/dbraw/zinc/49/80/42/289498042.db2.gz GFBNSVMRQPAWMC-UHFFFAOYSA-N 1 2 294.336 1.671 10 5 CDBELO CSCC[C@H]([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000568863469 294113519 /nfs/dbraw/zinc/11/35/19/294113519.db2.gz AMIFUWAXWJXHJX-QMMMGPOBSA-N 1 2 285.325 1.319 10 5 CDBELO CCNc1ccc(C[N@@H+](C)CC(=O)NC)cc1[N+](=O)[O-] ZINC000050813373 520299853 /nfs/dbraw/zinc/29/98/53/520299853.db2.gz HKJQSRZNUABPBD-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO CCNc1ccc(C[N@H+](C)CC(=O)NC)cc1[N+](=O)[O-] ZINC000050813373 520299848 /nfs/dbraw/zinc/29/98/48/520299848.db2.gz HKJQSRZNUABPBD-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO COC(=O)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726434 523547784 /nfs/dbraw/zinc/54/77/84/523547784.db2.gz BPMLXWKECZRIIH-SECBINFHSA-N 1 2 252.270 1.288 10 5 CDBELO Cn1ccc(C2CC[NH+](Cn3nccc3[N+](=O)[O-])CC2)n1 ZINC000905719968 626939627 /nfs/dbraw/zinc/93/96/27/626939627.db2.gz TTWXOVYMPDBWIQ-UHFFFAOYSA-N 1 2 290.327 1.362 10 5 CDBELO O=C(c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569473132 1169888053 /nfs/dbraw/zinc/88/80/53/1169888053.db2.gz YMQPHZHIGYHECJ-AAEUAGOBSA-N 1 2 293.298 1.463 10 5 CDBELO O=C(c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001569473132 1169888061 /nfs/dbraw/zinc/88/80/61/1169888061.db2.gz YMQPHZHIGYHECJ-AAEUAGOBSA-N 1 2 293.298 1.463 10 5 CDBELO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928159 1164710772 /nfs/dbraw/zinc/71/07/72/1164710772.db2.gz RQFASWLOXNLEOI-NSHDSACASA-N 1 2 299.350 1.965 10 5 CDBELO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928159 1164710779 /nfs/dbraw/zinc/71/07/79/1164710779.db2.gz RQFASWLOXNLEOI-NSHDSACASA-N 1 2 299.350 1.965 10 5 CDBELO C[C@H]([NH2+]CCS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872029867 1165373585 /nfs/dbraw/zinc/37/35/85/1165373585.db2.gz UVQSLXGQNXIWJF-QMMMGPOBSA-N 1 2 290.316 1.429 10 5 CDBELO O=C(C=C1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000852882304 927904191 /nfs/dbraw/zinc/90/41/91/927904191.db2.gz BYQDORXSDNWKAY-UHFFFAOYSA-N 1 2 277.280 1.549 10 5 CDBELO Cc1[nH+]c[nH]c1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001293540495 954377995 /nfs/dbraw/zinc/37/79/95/954377995.db2.gz JYKDAXZBZSTWAN-UHFFFAOYSA-N 1 2 274.280 1.485 10 5 CDBELO Cn1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC001560219535 960887533 /nfs/dbraw/zinc/88/75/33/960887533.db2.gz YBXIDNRQPAAGCF-UHFFFAOYSA-N 1 2 290.323 1.839 10 5 CDBELO Cn1ccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC001560219535 960887548 /nfs/dbraw/zinc/88/75/48/960887548.db2.gz YBXIDNRQPAAGCF-UHFFFAOYSA-N 1 2 290.323 1.839 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000595865272 343175928 /nfs/dbraw/zinc/17/59/28/343175928.db2.gz VUAGSIFMIAUGKT-UHFFFAOYSA-N 1 2 270.292 1.943 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2CCc3nccnc3C2)c1 ZINC000595865272 343175931 /nfs/dbraw/zinc/17/59/31/343175931.db2.gz VUAGSIFMIAUGKT-UHFFFAOYSA-N 1 2 270.292 1.943 10 5 CDBELO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598940858 343923803 /nfs/dbraw/zinc/92/38/03/343923803.db2.gz AWTSAVBUVWKYNX-LLVKDONJSA-N 1 2 286.291 1.075 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000610575905 346316413 /nfs/dbraw/zinc/31/64/13/346316413.db2.gz AJLXCMIIGIFJKN-UHFFFAOYSA-N 1 2 276.300 1.435 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000610575905 346316416 /nfs/dbraw/zinc/31/64/16/346316416.db2.gz AJLXCMIIGIFJKN-UHFFFAOYSA-N 1 2 276.300 1.435 10 5 CDBELO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000194644907 362830859 /nfs/dbraw/zinc/83/08/59/362830859.db2.gz FMJHSXXPVJOTEW-NSHDSACASA-N 1 2 293.323 1.515 10 5 CDBELO CC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000194644907 362830863 /nfs/dbraw/zinc/83/08/63/362830863.db2.gz FMJHSXXPVJOTEW-NSHDSACASA-N 1 2 293.323 1.515 10 5 CDBELO O=[N+]([O-])c1cnc(NCc2cn3c([nH+]2)CCCC3)nc1 ZINC000273634962 192239414 /nfs/dbraw/zinc/23/94/14/192239414.db2.gz RBUOUZSOLOBQFL-UHFFFAOYSA-N 1 2 274.284 1.530 10 5 CDBELO CC(C)[N@@H+]1CCN(c2cccc([N+](=O)[O-])c2)C(=O)C1 ZINC000140654921 368988580 /nfs/dbraw/zinc/98/85/80/368988580.db2.gz MMQPFBPEOBMWME-UHFFFAOYSA-N 1 2 263.297 1.652 10 5 CDBELO CC(C)[N@H+]1CCN(c2cccc([N+](=O)[O-])c2)C(=O)C1 ZINC000140654921 368988586 /nfs/dbraw/zinc/98/85/86/368988586.db2.gz MMQPFBPEOBMWME-UHFFFAOYSA-N 1 2 263.297 1.652 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000471809581 375055294 /nfs/dbraw/zinc/05/52/94/375055294.db2.gz ILSCGZNJEJRZOG-DJFZKKHWSA-N 1 2 289.335 1.818 10 5 CDBELO C[C@@H]1C(=O)NCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000471809581 375055301 /nfs/dbraw/zinc/05/53/01/375055301.db2.gz ILSCGZNJEJRZOG-DJFZKKHWSA-N 1 2 289.335 1.818 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000183391065 391213629 /nfs/dbraw/zinc/21/36/29/391213629.db2.gz NMAJEHCXDBBURY-CYBMUJFWSA-N 1 2 290.323 1.113 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000183391065 391213632 /nfs/dbraw/zinc/21/36/32/391213632.db2.gz NMAJEHCXDBBURY-CYBMUJFWSA-N 1 2 290.323 1.113 10 5 CDBELO Cc1cccnc1Nc1nc[nH+]c(NN(C)C)c1[N+](=O)[O-] ZINC000040625714 174356694 /nfs/dbraw/zinc/35/66/94/174356694.db2.gz FQGCLWDJSHOAIB-UHFFFAOYSA-N 1 2 289.299 1.720 10 5 CDBELO C[C@@H](C(=O)N(C)C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153359367 289166596 /nfs/dbraw/zinc/16/65/96/289166596.db2.gz PXPGXGYCTJGMBX-JTQLQIEISA-N 1 2 277.324 1.430 10 5 CDBELO C[C@@H](C(=O)N(C)C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153359367 289166597 /nfs/dbraw/zinc/16/65/97/289166597.db2.gz PXPGXGYCTJGMBX-JTQLQIEISA-N 1 2 277.324 1.430 10 5 CDBELO CCOC(=O)[C@@H](CCOc1ccc([N+](=O)[O-])c(C)c1)[NH2+]C ZINC000062540005 521060057 /nfs/dbraw/zinc/06/00/57/521060057.db2.gz RIVYFWJYIITQMA-GFCCVEGCSA-N 1 2 296.323 1.823 10 5 CDBELO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000299908771 524502568 /nfs/dbraw/zinc/50/25/68/524502568.db2.gz VMPRZSWUXCOXPI-ZWNOBZJWSA-N 1 2 293.323 1.236 10 5 CDBELO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000299908771 524502575 /nfs/dbraw/zinc/50/25/75/524502575.db2.gz VMPRZSWUXCOXPI-ZWNOBZJWSA-N 1 2 293.323 1.236 10 5 CDBELO Nc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c[nH+]1 ZINC000061680221 527494901 /nfs/dbraw/zinc/49/49/01/527494901.db2.gz MZOGBUKJMDQLPH-UHFFFAOYSA-N 1 2 264.266 1.886 10 5 CDBELO CC(C)[N@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000812290594 1163611165 /nfs/dbraw/zinc/61/11/65/1163611165.db2.gz GVPXOBVNCBXBKL-JTQLQIEISA-N 1 2 254.290 1.248 10 5 CDBELO CC(C)[N@@H+](Cn1nccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000812290594 1163611168 /nfs/dbraw/zinc/61/11/68/1163611168.db2.gz GVPXOBVNCBXBKL-JTQLQIEISA-N 1 2 254.290 1.248 10 5 CDBELO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])cn2C)[nH+]c1C ZINC001630877437 1166238727 /nfs/dbraw/zinc/23/87/27/1166238727.db2.gz AQQFHAQXACKATH-UHFFFAOYSA-N 1 2 277.284 1.203 10 5 CDBELO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089866 786046545 /nfs/dbraw/zinc/04/65/45/786046545.db2.gz GSKNGJBMVRXFFR-IUCAKERBSA-N 1 2 299.302 1.793 10 5 CDBELO Cn1cc(CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC001261794319 946281262 /nfs/dbraw/zinc/28/12/62/946281262.db2.gz KHCDMJFJFOHJGC-UHFFFAOYSA-N 1 2 273.296 1.282 10 5 CDBELO Cn1cc(CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC001261794319 946281271 /nfs/dbraw/zinc/28/12/71/946281271.db2.gz KHCDMJFJFOHJGC-UHFFFAOYSA-N 1 2 273.296 1.282 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001290429844 954045448 /nfs/dbraw/zinc/04/54/48/954045448.db2.gz IJLCADJMGDWSBB-NSHDSACASA-N 1 2 263.297 1.936 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001290429844 954045462 /nfs/dbraw/zinc/04/54/62/954045462.db2.gz IJLCADJMGDWSBB-NSHDSACASA-N 1 2 263.297 1.936 10 5 CDBELO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(N(C)C)[nH+]1 ZINC001295446358 954675217 /nfs/dbraw/zinc/67/52/17/954675217.db2.gz WSQHHPVMBJDLSP-UHFFFAOYSA-N 1 2 289.295 1.945 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2[nH]cc[nH+]2)c1C ZINC001543788283 967318452 /nfs/dbraw/zinc/31/84/52/967318452.db2.gz HFPSDDRVZVWHIG-UHFFFAOYSA-N 1 2 288.307 1.907 10 5 CDBELO Cc1cccnc1[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC001655077448 1171665014 /nfs/dbraw/zinc/66/50/14/1171665014.db2.gz YRQQCRREMMSQSB-JTQLQIEISA-N 1 2 275.312 1.883 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOC1CCC1)CC2 ZINC000588204641 342494520 /nfs/dbraw/zinc/49/45/20/342494520.db2.gz LHJBZYLMSJNJKH-UHFFFAOYSA-N 1 2 277.324 1.917 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOC1CCC1)CC2 ZINC000588204641 342494521 /nfs/dbraw/zinc/49/45/21/342494521.db2.gz LHJBZYLMSJNJKH-UHFFFAOYSA-N 1 2 277.324 1.917 10 5 CDBELO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@H]2C1 ZINC000590445673 342546586 /nfs/dbraw/zinc/54/65/86/342546586.db2.gz QNIMHOHLCXHBIQ-KOLCDFICSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@H]2C1 ZINC000590445673 342546587 /nfs/dbraw/zinc/54/65/87/342546587.db2.gz QNIMHOHLCXHBIQ-KOLCDFICSA-N 1 2 291.307 1.077 10 5 CDBELO [NH3+]C1(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCC1 ZINC000592258587 342683376 /nfs/dbraw/zinc/68/33/76/342683376.db2.gz WCFXHSKLTVCMNP-UHFFFAOYSA-N 1 2 265.269 1.510 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000592257488 342683512 /nfs/dbraw/zinc/68/35/12/342683512.db2.gz GNXOCXOYKYXAMX-TVQRCGJNSA-N 1 2 277.280 1.239 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096533 342765642 /nfs/dbraw/zinc/76/56/42/342765642.db2.gz XHKARZZEYZLHMM-LDLUMPKVSA-N 1 2 266.322 1.300 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096533 342765644 /nfs/dbraw/zinc/76/56/44/342765644.db2.gz XHKARZZEYZLHMM-LDLUMPKVSA-N 1 2 266.322 1.300 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599159724 343970429 /nfs/dbraw/zinc/97/04/29/343970429.db2.gz CKUXVBHLKCSQPH-JTQLQIEISA-N 1 2 285.731 1.991 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599159724 343970432 /nfs/dbraw/zinc/97/04/32/343970432.db2.gz CKUXVBHLKCSQPH-JTQLQIEISA-N 1 2 285.731 1.991 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599779164 344140464 /nfs/dbraw/zinc/14/04/64/344140464.db2.gz IVHPCEHMINOQES-GFCCVEGCSA-N 1 2 294.311 1.047 10 5 CDBELO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599779164 344140466 /nfs/dbraw/zinc/14/04/66/344140466.db2.gz IVHPCEHMINOQES-GFCCVEGCSA-N 1 2 294.311 1.047 10 5 CDBELO Cn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000618575546 345094809 /nfs/dbraw/zinc/09/48/09/345094809.db2.gz QYVBKLQNOCHTHC-AWEZNQCLSA-N 1 2 287.323 1.891 10 5 CDBELO C[C@@H]1C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075518048 357948628 /nfs/dbraw/zinc/94/86/28/357948628.db2.gz LXVVGPDJXVMSTB-KOLCDFICSA-N 1 2 286.291 1.919 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cocn1 ZINC000192307878 361647620 /nfs/dbraw/zinc/64/76/20/361647620.db2.gz OUVLOHALCPCXOZ-UHFFFAOYSA-N 1 2 263.253 1.881 10 5 CDBELO CN1CC[NH+](CCNc2cccc([N+](=O)[O-])c2)CC1 ZINC000037760108 370081775 /nfs/dbraw/zinc/08/17/75/370081775.db2.gz FPMMQVDDBNLMRW-UHFFFAOYSA-N 1 2 264.329 1.254 10 5 CDBELO O=[N+]([O-])c1ccc(C2=[N+](O)[C@H]3CCCC[C@H]3[N+]([O-])=C2)cc1 ZINC000225405110 374300521 /nfs/dbraw/zinc/30/05/21/374300521.db2.gz IHKVUPKKDOPRNE-OLZOCXBDSA-N 1 2 291.307 1.583 10 5 CDBELO CCC[N@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000429127665 374569194 /nfs/dbraw/zinc/56/91/94/374569194.db2.gz KTVPGHTVNQYXSX-UHFFFAOYSA-N 1 2 257.315 1.354 10 5 CDBELO CCC[N@@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000429127665 374569204 /nfs/dbraw/zinc/56/92/04/374569204.db2.gz KTVPGHTVNQYXSX-UHFFFAOYSA-N 1 2 257.315 1.354 10 5 CDBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000131527823 375278177 /nfs/dbraw/zinc/27/81/77/375278177.db2.gz VFFHRVZHPRQIOK-UHFFFAOYSA-N 1 2 292.295 1.970 10 5 CDBELO CC(C)[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)C(=O)C1 ZINC000140472432 376794670 /nfs/dbraw/zinc/79/46/70/376794670.db2.gz BZLXOGNFMDHCER-UHFFFAOYSA-N 1 2 263.297 1.652 10 5 CDBELO CC(C)[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)C(=O)C1 ZINC000140472432 376794675 /nfs/dbraw/zinc/79/46/75/376794675.db2.gz BZLXOGNFMDHCER-UHFFFAOYSA-N 1 2 263.297 1.652 10 5 CDBELO Cn1ccnc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446853341 250321656 /nfs/dbraw/zinc/32/16/56/250321656.db2.gz ULFHBCZSVZLUTB-UHFFFAOYSA-N 1 2 286.295 1.494 10 5 CDBELO Cn1cc[nH+]c1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446853341 250321662 /nfs/dbraw/zinc/32/16/62/250321662.db2.gz ULFHBCZSVZLUTB-UHFFFAOYSA-N 1 2 286.295 1.494 10 5 CDBELO O=[N+]([O-])c1ccc(C[NH+]2CC(CCO)C2)c(F)c1 ZINC000459593319 392488166 /nfs/dbraw/zinc/48/81/66/392488166.db2.gz OEKDBSKVAZTZAG-UHFFFAOYSA-N 1 2 254.261 1.548 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1cc(C)c([N+](=O)[O-])cn1)CC2 ZINC000374715460 393055266 /nfs/dbraw/zinc/05/52/66/393055266.db2.gz JLWAQSWTKYRCNT-UHFFFAOYSA-N 1 2 273.296 1.823 10 5 CDBELO O=C(NCCC[NH+]1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560800 140240090 /nfs/dbraw/zinc/24/00/90/140240090.db2.gz YGBBMVSWKLOQCW-UHFFFAOYSA-N 1 2 293.323 1.516 10 5 CDBELO COCCCNc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040624350 174356445 /nfs/dbraw/zinc/35/64/45/174356445.db2.gz LXSPECWUBZBZQG-UHFFFAOYSA-N 1 2 278.272 1.019 10 5 CDBELO CCOC(=O)[C@@H]([NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044340524 175163963 /nfs/dbraw/zinc/16/39/63/175163963.db2.gz AFZRDVMZCAMXOS-VIFPVBQESA-N 1 2 272.688 1.681 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000363666157 281544405 /nfs/dbraw/zinc/54/44/05/281544405.db2.gz RKOXPNNAJMMTHY-UHFFFAOYSA-N 1 2 286.291 1.756 10 5 CDBELO CS(=O)(=O)CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153020933 289154199 /nfs/dbraw/zinc/15/41/99/289154199.db2.gz WKOZLMJEONMTFT-UHFFFAOYSA-N 1 2 298.364 1.388 10 5 CDBELO CS(=O)(=O)CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153020933 289154200 /nfs/dbraw/zinc/15/42/00/289154200.db2.gz WKOZLMJEONMTFT-UHFFFAOYSA-N 1 2 298.364 1.388 10 5 CDBELO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272413911 289191779 /nfs/dbraw/zinc/19/17/79/289191779.db2.gz PAGICXBKHBSNIM-NSHDSACASA-N 1 2 293.323 1.467 10 5 CDBELO CN1CCC[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000554546049 290173421 /nfs/dbraw/zinc/17/34/21/290173421.db2.gz MNKLFGYJVYXSPD-AWEZNQCLSA-N 1 2 289.335 1.574 10 5 CDBELO CN1CCC[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000554546049 290173422 /nfs/dbraw/zinc/17/34/22/290173422.db2.gz MNKLFGYJVYXSPD-AWEZNQCLSA-N 1 2 289.335 1.574 10 5 CDBELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000081566819 526185822 /nfs/dbraw/zinc/18/58/22/526185822.db2.gz SSTXLLVDQTWCFW-SNVBAGLBSA-N 1 2 298.343 1.453 10 5 CDBELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000081566819 526185829 /nfs/dbraw/zinc/18/58/29/526185829.db2.gz SSTXLLVDQTWCFW-SNVBAGLBSA-N 1 2 298.343 1.453 10 5 CDBELO CON(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000774548246 575214473 /nfs/dbraw/zinc/21/44/73/575214473.db2.gz YXPVXDCIWQYYDX-UHFFFAOYSA-N 1 2 267.285 1.046 10 5 CDBELO CON(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000774548246 575214474 /nfs/dbraw/zinc/21/44/74/575214474.db2.gz YXPVXDCIWQYYDX-UHFFFAOYSA-N 1 2 267.285 1.046 10 5 CDBELO Cc1nn(C[N@H+](C)C[C@@H]2CCCO2)c(C)c1[N+](=O)[O-] ZINC000151757297 630735903 /nfs/dbraw/zinc/73/59/03/630735903.db2.gz LARKXUZLVLJDNT-NSHDSACASA-N 1 2 268.317 1.476 10 5 CDBELO Cc1nn(C[N@@H+](C)C[C@@H]2CCCO2)c(C)c1[N+](=O)[O-] ZINC000151757297 630735904 /nfs/dbraw/zinc/73/59/04/630735904.db2.gz LARKXUZLVLJDNT-NSHDSACASA-N 1 2 268.317 1.476 10 5 CDBELO Cc1[nH]c(CNc2nccc(C(N)=O)c2[N+](=O)[O-])[nH+]c1C ZINC001612949914 1165525787 /nfs/dbraw/zinc/52/57/87/1165525787.db2.gz AZPZCCPFJDDGRZ-UHFFFAOYSA-N 1 2 290.283 1.041 10 5 CDBELO Cc1cc(NCc2ccc[nH+]c2N)ncc1[N+](=O)[O-] ZINC001651075356 1171284292 /nfs/dbraw/zinc/28/42/92/1171284292.db2.gz RFMYCQRWUDPPAV-UHFFFAOYSA-N 1 2 259.269 1.888 10 5 CDBELO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000848674244 791470708 /nfs/dbraw/zinc/47/07/08/791470708.db2.gz PUWDLCKBZNUJSD-NSHDSACASA-N 1 2 284.262 1.969 10 5 CDBELO C[N@@H+](Cc1cc[nH]n1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582269 795300688 /nfs/dbraw/zinc/30/06/88/795300688.db2.gz NTMQOUXMFZFRPQ-CYBMUJFWSA-N 1 2 276.296 1.483 10 5 CDBELO C[N@H+](Cc1cc[nH]n1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582269 795300695 /nfs/dbraw/zinc/30/06/95/795300695.db2.gz NTMQOUXMFZFRPQ-CYBMUJFWSA-N 1 2 276.296 1.483 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)NCc1ccccc1[N+](=O)[O-] ZINC001441608131 964613575 /nfs/dbraw/zinc/61/35/75/964613575.db2.gz VKFYFHBAGAMYGO-UHFFFAOYSA-N 1 2 260.253 1.177 10 5 CDBELO Cc1nn(C)c(NCC(C)(C)n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000601197935 342489796 /nfs/dbraw/zinc/48/97/96/342489796.db2.gz HYSUQEHMTHRMGO-UHFFFAOYSA-N 1 2 278.316 1.680 10 5 CDBELO CC[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598532436 343827347 /nfs/dbraw/zinc/82/73/47/343827347.db2.gz YKMNSQQQBKBMQQ-VHSXEESVSA-N 1 2 293.323 1.513 10 5 CDBELO C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181974764 357394679 /nfs/dbraw/zinc/39/46/79/357394679.db2.gz BVXVMNAGBREIDQ-JTQLQIEISA-N 1 2 279.296 1.077 10 5 CDBELO CC[C@H]([NH2+]Cc1cnn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000294911910 199243526 /nfs/dbraw/zinc/24/35/26/199243526.db2.gz FTWVHELDSIKYGH-LBPRGKRZSA-N 1 2 261.285 1.954 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000339082731 359285246 /nfs/dbraw/zinc/28/52/46/359285246.db2.gz WIEHRQFCNCFSOC-CYBMUJFWSA-N 1 2 296.323 1.178 10 5 CDBELO Cc1cc(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)ncc1[N+](=O)[O-] ZINC000301454101 201014338 /nfs/dbraw/zinc/01/43/38/201014338.db2.gz VQGAEJQTDFPDNZ-NWDGAFQWSA-N 1 2 294.355 1.819 10 5 CDBELO Cc1cc(NC[C@H](C)[N@H+]2CCOC[C@H]2C)ncc1[N+](=O)[O-] ZINC000301454101 201014339 /nfs/dbraw/zinc/01/43/39/201014339.db2.gz VQGAEJQTDFPDNZ-NWDGAFQWSA-N 1 2 294.355 1.819 10 5 CDBELO C[N@@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1(C)C ZINC000580723552 363935245 /nfs/dbraw/zinc/93/52/45/363935245.db2.gz CBRHDPWTXGNBBH-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO C[N@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1(C)C ZINC000580723552 363935253 /nfs/dbraw/zinc/93/52/53/363935253.db2.gz CBRHDPWTXGNBBH-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000170650205 367527675 /nfs/dbraw/zinc/52/76/75/367527675.db2.gz WOEKJTQEKKSACC-UHFFFAOYSA-N 1 2 299.334 1.707 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@H]2CO)cs1 ZINC000330848478 203308627 /nfs/dbraw/zinc/30/86/27/203308627.db2.gz PAJPYWNOULESKO-SECBINFHSA-N 1 2 274.367 1.566 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@H]2CO)cs1 ZINC000330848478 203308630 /nfs/dbraw/zinc/30/86/30/203308630.db2.gz PAJPYWNOULESKO-SECBINFHSA-N 1 2 274.367 1.566 10 5 CDBELO CN1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000191138377 373456685 /nfs/dbraw/zinc/45/66/85/373456685.db2.gz JJJHCEZDACVSHC-UHFFFAOYSA-N 1 2 263.297 1.259 10 5 CDBELO CN1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000191138377 373456696 /nfs/dbraw/zinc/45/66/96/373456696.db2.gz JJJHCEZDACVSHC-UHFFFAOYSA-N 1 2 263.297 1.259 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299657906 373741290 /nfs/dbraw/zinc/74/12/90/373741290.db2.gz PYCKASNFRKMQAX-NSHDSACASA-N 1 2 288.307 1.918 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282769856 375100659 /nfs/dbraw/zinc/10/06/59/375100659.db2.gz PMLOZSRPKFKWRX-ZDUSSCGKSA-N 1 2 298.364 1.522 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282769856 375100673 /nfs/dbraw/zinc/10/06/73/375100673.db2.gz PMLOZSRPKFKWRX-ZDUSSCGKSA-N 1 2 298.364 1.522 10 5 CDBELO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Cn1cc[nH+]c1 ZINC000532144238 393068033 /nfs/dbraw/zinc/06/80/33/393068033.db2.gz SLSRVVAXRATVRK-SNVBAGLBSA-N 1 2 289.295 1.252 10 5 CDBELO C[NH+](C)CC(C)(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000457207270 289080393 /nfs/dbraw/zinc/08/03/93/289080393.db2.gz BNRPHPMRTSZHES-UHFFFAOYSA-N 1 2 281.312 1.370 10 5 CDBELO CC[N@H+](Cc1cn(C)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000359301494 158206321 /nfs/dbraw/zinc/20/63/21/158206321.db2.gz NPDCDPQBOGFMBM-UHFFFAOYSA-N 1 2 275.312 1.745 10 5 CDBELO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000359301494 158206323 /nfs/dbraw/zinc/20/63/23/158206323.db2.gz NPDCDPQBOGFMBM-UHFFFAOYSA-N 1 2 275.312 1.745 10 5 CDBELO Cc1ccc(Nc2nc[nH+]c(NN(C)C)c2[N+](=O)[O-])nc1 ZINC000040628934 174357249 /nfs/dbraw/zinc/35/72/49/174357249.db2.gz BMVLLNBOARHZOU-UHFFFAOYSA-N 1 2 289.299 1.720 10 5 CDBELO Cc1cc([N+](=O)[O-])cc2c1[nH+]cc1c2NCCNC1=O ZINC000072236868 176345612 /nfs/dbraw/zinc/34/56/12/176345612.db2.gz GUZWFPGYKGXEOF-UHFFFAOYSA-N 1 2 272.264 1.607 10 5 CDBELO C[NH2+][C@@](C)(C[C@H](C)Oc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000068650897 522423408 /nfs/dbraw/zinc/42/34/08/522423408.db2.gz RMQCYDDJJLAUOH-HZMBPMFUSA-N 1 2 296.323 1.903 10 5 CDBELO Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c[nH+]1 ZINC000061680452 527494748 /nfs/dbraw/zinc/49/47/48/527494748.db2.gz JKVUVUXZMMLJOG-UHFFFAOYSA-N 1 2 264.266 1.886 10 5 CDBELO Cc1c([C@@H](C)[NH2+]Cc2cnn(C)n2)cccc1[N+](=O)[O-] ZINC000806168649 617313894 /nfs/dbraw/zinc/31/38/94/617313894.db2.gz WAVDZUNAEMDXBK-SNVBAGLBSA-N 1 2 275.312 1.883 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001147566605 932557855 /nfs/dbraw/zinc/55/78/55/932557855.db2.gz PPOHCNQLKXAETH-UHFFFAOYSA-N 1 2 272.264 1.450 10 5 CDBELO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000802237752 936033942 /nfs/dbraw/zinc/03/39/42/936033942.db2.gz JOBQYBZTLCQWRC-GFCCVEGCSA-N 1 2 282.271 1.795 10 5 CDBELO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000802237752 936033945 /nfs/dbraw/zinc/03/39/45/936033945.db2.gz JOBQYBZTLCQWRC-GFCCVEGCSA-N 1 2 282.271 1.795 10 5 CDBELO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001454152697 968435576 /nfs/dbraw/zinc/43/55/76/968435576.db2.gz RRINAJMTGVOLRI-LLVKDONJSA-N 1 2 287.279 1.248 10 5 CDBELO CN(C#N)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001529565260 969053844 /nfs/dbraw/zinc/05/38/44/969053844.db2.gz YEUSSHYWYXPZRG-UHFFFAOYSA-N 1 2 271.236 1.334 10 5 CDBELO Cc1c[nH+]cc(C)c1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001534712832 969510530 /nfs/dbraw/zinc/51/05/30/969510530.db2.gz QAFXFJJCHVVVCT-UHFFFAOYSA-N 1 2 275.268 1.014 10 5 CDBELO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000590445463 342546524 /nfs/dbraw/zinc/54/65/24/342546524.db2.gz MYRZWYBZDDHIGW-CABZTGNLSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000590445463 342546525 /nfs/dbraw/zinc/54/65/25/342546525.db2.gz MYRZWYBZDDHIGW-CABZTGNLSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000590445660 342546685 /nfs/dbraw/zinc/54/66/85/342546685.db2.gz QNIMHOHLCXHBIQ-GXSJLCMTSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000590445660 342546686 /nfs/dbraw/zinc/54/66/86/342546686.db2.gz QNIMHOHLCXHBIQ-GXSJLCMTSA-N 1 2 291.307 1.077 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[NH+]2CCOCC2)n1 ZINC000611615495 346828792 /nfs/dbraw/zinc/82/87/92/346828792.db2.gz KALZSNHNJJVIDB-UHFFFAOYSA-N 1 2 280.328 1.351 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(Cc2ccc(N(C)C)[nH+]c2)c1=O ZINC000600537795 342230628 /nfs/dbraw/zinc/23/06/28/342230628.db2.gz SVOKSZRBZFZKAP-UHFFFAOYSA-N 1 2 288.307 1.574 10 5 CDBELO C[C@H](c1c([N+](=O)[O-])cnn1[C@@H]1CCCCO1)[N@H+](C)CCO ZINC000224885790 343081199 /nfs/dbraw/zinc/08/11/99/343081199.db2.gz OWTZMRVXEYEESD-PWSUYJOCSA-N 1 2 298.343 1.476 10 5 CDBELO C[C@H](c1c([N+](=O)[O-])cnn1[C@@H]1CCCCO1)[N@@H+](C)CCO ZINC000224885790 343081202 /nfs/dbraw/zinc/08/12/02/343081202.db2.gz OWTZMRVXEYEESD-PWSUYJOCSA-N 1 2 298.343 1.476 10 5 CDBELO CO[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1O ZINC000599082881 343957829 /nfs/dbraw/zinc/95/78/29/343957829.db2.gz DDRSEESSVXUCHK-CHWSQXEVSA-N 1 2 289.291 1.339 10 5 CDBELO Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000601938777 344287020 /nfs/dbraw/zinc/28/70/20/344287020.db2.gz JGWRXVOCUMPSQK-SECBINFHSA-N 1 2 274.280 1.215 10 5 CDBELO COc1cc[nH+]cc1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000344094962 362535462 /nfs/dbraw/zinc/53/54/62/362535462.db2.gz GWHDDACFVHZVCL-UHFFFAOYSA-N 1 2 275.264 1.517 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)cs1 ZINC000614420172 348106189 /nfs/dbraw/zinc/10/61/89/348106189.db2.gz NWKUMIQYSCNAAR-JTQLQIEISA-N 1 2 279.325 1.695 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](n3cncn3)C2)cs1 ZINC000614420172 348106191 /nfs/dbraw/zinc/10/61/91/348106191.db2.gz NWKUMIQYSCNAAR-JTQLQIEISA-N 1 2 279.325 1.695 10 5 CDBELO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000271716739 191289035 /nfs/dbraw/zinc/28/90/35/191289035.db2.gz QKVQHYICIMQPJO-SNVBAGLBSA-N 1 2 278.230 1.950 10 5 CDBELO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000271716739 191289038 /nfs/dbraw/zinc/28/90/38/191289038.db2.gz QKVQHYICIMQPJO-SNVBAGLBSA-N 1 2 278.230 1.950 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000411912647 363375292 /nfs/dbraw/zinc/37/52/92/363375292.db2.gz MPCSWHOSWRVENF-UHFFFAOYSA-N 1 2 293.323 1.314 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337533171 358079481 /nfs/dbraw/zinc/07/94/81/358079481.db2.gz GAGOHXGEIWERSG-LLVKDONJSA-N 1 2 277.324 1.566 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337533171 358079482 /nfs/dbraw/zinc/07/94/82/358079482.db2.gz GAGOHXGEIWERSG-LLVKDONJSA-N 1 2 277.324 1.566 10 5 CDBELO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000170649079 367512918 /nfs/dbraw/zinc/51/29/18/367512918.db2.gz XWHLMQJLOBYKOZ-UHFFFAOYSA-N 1 2 299.334 1.707 10 5 CDBELO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354465126 375713892 /nfs/dbraw/zinc/71/38/92/375713892.db2.gz SGLRXYDWGPECDL-NXEZZACHSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354465126 375713903 /nfs/dbraw/zinc/71/39/03/375713903.db2.gz SGLRXYDWGPECDL-NXEZZACHSA-N 1 2 293.323 1.465 10 5 CDBELO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000133755076 375825814 /nfs/dbraw/zinc/82/58/14/375825814.db2.gz WQQDCQYJMHCHAC-UHFFFAOYSA-N 1 2 293.298 1.654 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000359082236 158119988 /nfs/dbraw/zinc/11/99/88/158119988.db2.gz LVBPJIUBAWTZIN-UHFFFAOYSA-N 1 2 261.285 1.966 10 5 CDBELO O=Cc1cc([N+](=O)[O-])ccc1OCCn1cc[nH+]c1 ZINC000035412703 172184736 /nfs/dbraw/zinc/18/47/36/172184736.db2.gz LGPWATPNLKBXGK-UHFFFAOYSA-N 1 2 261.237 1.683 10 5 CDBELO NC(=O)c1ccc(Oc2cc[nH+]cc2N)c([N+](=O)[O-])c1 ZINC000044272431 175158945 /nfs/dbraw/zinc/15/89/45/175158945.db2.gz SRRMEWVHMODXEP-UHFFFAOYSA-N 1 2 274.236 1.463 10 5 CDBELO CNc1cc(C(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000071275328 176106856 /nfs/dbraw/zinc/10/68/56/176106856.db2.gz JLDACRQSCIJVSK-UHFFFAOYSA-N 1 2 289.295 1.300 10 5 CDBELO Cc1nn(CC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000578787078 324027479 /nfs/dbraw/zinc/02/74/79/324027479.db2.gz BFEZHRHLHXCKAX-UWVGGRQHSA-N 1 2 268.317 1.209 10 5 CDBELO CCc1[nH+]ccn1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455977 522579321 /nfs/dbraw/zinc/57/93/21/522579321.db2.gz VMZMCRSUOQCGST-UHFFFAOYSA-N 1 2 253.649 1.786 10 5 CDBELO CC1(C)C[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050814107 520479087 /nfs/dbraw/zinc/47/90/87/520479087.db2.gz RHISNXBIZAYUOK-UHFFFAOYSA-N 1 2 265.313 1.788 10 5 CDBELO CC1(C)C[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050814107 520479095 /nfs/dbraw/zinc/47/90/95/520479095.db2.gz RHISNXBIZAYUOK-UHFFFAOYSA-N 1 2 265.313 1.788 10 5 CDBELO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050792529 524610984 /nfs/dbraw/zinc/61/09/84/524610984.db2.gz SKTAWWUJGRBUGF-VIFPVBQESA-N 1 2 251.286 1.398 10 5 CDBELO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050792529 524610988 /nfs/dbraw/zinc/61/09/88/524610988.db2.gz SKTAWWUJGRBUGF-VIFPVBQESA-N 1 2 251.286 1.398 10 5 CDBELO C[C@@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050813583 525126961 /nfs/dbraw/zinc/12/69/61/525126961.db2.gz GUQIOOYLAYSFER-SECBINFHSA-N 1 2 251.286 1.398 10 5 CDBELO C[C@@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050813583 525126967 /nfs/dbraw/zinc/12/69/67/525126967.db2.gz GUQIOOYLAYSFER-SECBINFHSA-N 1 2 251.286 1.398 10 5 CDBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898482382 621753887 /nfs/dbraw/zinc/75/38/87/621753887.db2.gz BNESIWMJKASWAB-LBPRGKRZSA-N 1 2 295.314 1.759 10 5 CDBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898482382 621753894 /nfs/dbraw/zinc/75/38/94/621753894.db2.gz BNESIWMJKASWAB-LBPRGKRZSA-N 1 2 295.314 1.759 10 5 CDBELO Nc1nccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC001630119490 1166185291 /nfs/dbraw/zinc/18/52/91/1166185291.db2.gz QMSYROMSIUXGLY-UHFFFAOYSA-N 1 2 298.262 1.472 10 5 CDBELO CO[C@H]1C[C@@H]([N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000795671326 934909642 /nfs/dbraw/zinc/90/96/42/934909642.db2.gz MDOUYXYKLPKNEA-PHIMTYICSA-N 1 2 268.317 1.475 10 5 CDBELO CO[C@H]1C[C@@H]([N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000795671326 934909644 /nfs/dbraw/zinc/90/96/44/934909644.db2.gz MDOUYXYKLPKNEA-PHIMTYICSA-N 1 2 268.317 1.475 10 5 CDBELO COc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000611516849 346807783 /nfs/dbraw/zinc/80/77/83/346807783.db2.gz UZYIGIVYXZFAQT-SNVBAGLBSA-N 1 2 293.323 1.314 10 5 CDBELO COc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000611516849 346807786 /nfs/dbraw/zinc/80/77/86/346807786.db2.gz UZYIGIVYXZFAQT-SNVBAGLBSA-N 1 2 293.323 1.314 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589560612 342509177 /nfs/dbraw/zinc/50/91/77/342509177.db2.gz NKTMAPVSPMUQCK-SECBINFHSA-N 1 2 291.311 1.366 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000594985807 342993774 /nfs/dbraw/zinc/99/37/74/342993774.db2.gz ADRXMWLIJDAPMX-STQMWFEESA-N 1 2 278.308 1.694 10 5 CDBELO Cc1noc(C[NH2+][C@@H](CO)c2ccsc2)c1[N+](=O)[O-] ZINC000595445342 343063336 /nfs/dbraw/zinc/06/33/36/343063336.db2.gz LPXQGIJCDQEFKY-VIFPVBQESA-N 1 2 283.309 1.776 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598945859 343925900 /nfs/dbraw/zinc/92/59/00/343925900.db2.gz CPDXGIBKRWERSJ-SNVBAGLBSA-N 1 2 286.291 1.454 10 5 CDBELO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599653354 344104255 /nfs/dbraw/zinc/10/42/55/344104255.db2.gz VVRSHAGVCLVCRJ-OCAPTIKFSA-N 1 2 299.277 1.569 10 5 CDBELO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599653354 344104257 /nfs/dbraw/zinc/10/42/57/344104257.db2.gz VVRSHAGVCLVCRJ-OCAPTIKFSA-N 1 2 299.277 1.569 10 5 CDBELO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccn1 ZINC000602804177 344592878 /nfs/dbraw/zinc/59/28/78/344592878.db2.gz JIMJAIGEFNXKNM-VIFPVBQESA-N 1 2 261.285 1.574 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCS(C)(=O)=O ZINC000050508134 345020298 /nfs/dbraw/zinc/02/02/98/345020298.db2.gz HXJHUKQXDCLMKS-SNVBAGLBSA-N 1 2 286.353 1.632 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCS(C)(=O)=O ZINC000050508134 345020302 /nfs/dbraw/zinc/02/03/02/345020302.db2.gz HXJHUKQXDCLMKS-SNVBAGLBSA-N 1 2 286.353 1.632 10 5 CDBELO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262925498 358909037 /nfs/dbraw/zinc/90/90/37/358909037.db2.gz HHXNSWDSIDHKRT-LLVKDONJSA-N 1 2 299.277 1.251 10 5 CDBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000371281460 374414914 /nfs/dbraw/zinc/41/49/14/374414914.db2.gz VOBKDBBIRZLCEM-SECBINFHSA-N 1 2 286.291 1.605 10 5 CDBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000371281460 374414918 /nfs/dbraw/zinc/41/49/18/374414918.db2.gz VOBKDBBIRZLCEM-SECBINFHSA-N 1 2 286.291 1.605 10 5 CDBELO CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000281038635 195078826 /nfs/dbraw/zinc/07/88/26/195078826.db2.gz WBHWEANUGWHNHI-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000281038635 195078827 /nfs/dbraw/zinc/07/88/27/195078827.db2.gz WBHWEANUGWHNHI-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000373580461 160212567 /nfs/dbraw/zinc/21/25/67/160212567.db2.gz FYXKGSSPTNOGDW-LSDHHAIUSA-N 1 2 292.335 1.739 10 5 CDBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000373580461 160212568 /nfs/dbraw/zinc/21/25/68/160212568.db2.gz FYXKGSSPTNOGDW-LSDHHAIUSA-N 1 2 292.335 1.739 10 5 CDBELO [NH2+]=C1NNC(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006882807 170252930 /nfs/dbraw/zinc/25/29/30/170252930.db2.gz QABZUIUPYQWBCF-YRNVUSSQSA-N 1 2 298.258 1.850 10 5 CDBELO Cn1cnnc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000038007980 173972659 /nfs/dbraw/zinc/97/26/59/173972659.db2.gz RUYWMFZFQFRPBH-UHFFFAOYSA-N 1 2 253.287 1.075 10 5 CDBELO CCCNc1nc[nH+]c(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040597098 174349244 /nfs/dbraw/zinc/34/92/44/174349244.db2.gz OCLJNGFKXTZXCY-UHFFFAOYSA-N 1 2 268.321 1.922 10 5 CDBELO CCN(CC)c1nc[nH+]c(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040608167 174353282 /nfs/dbraw/zinc/35/32/82/174353282.db2.gz TVGCYSYWUAUJQX-UHFFFAOYSA-N 1 2 282.348 1.946 10 5 CDBELO C[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000062541045 522348771 /nfs/dbraw/zinc/34/87/71/522348771.db2.gz NIMUQUUFNHKUMJ-NSHDSACASA-N 1 2 268.269 1.125 10 5 CDBELO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814160 523498352 /nfs/dbraw/zinc/49/83/52/523498352.db2.gz LEQLRPZOYQBVEK-LLVKDONJSA-N 1 2 265.313 1.788 10 5 CDBELO CC[C@@H]1COCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814160 523498361 /nfs/dbraw/zinc/49/83/61/523498361.db2.gz LEQLRPZOYQBVEK-LLVKDONJSA-N 1 2 265.313 1.788 10 5 CDBELO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1N ZINC000052840992 524631615 /nfs/dbraw/zinc/63/16/15/524631615.db2.gz OSJKEIXTKFEVJK-JTQLQIEISA-N 1 2 280.328 1.310 10 5 CDBELO O=[N+]([O-])c1cc2c(cc1NCc1c[nH+]c[nH]1)OCO2 ZINC000054764401 527341576 /nfs/dbraw/zinc/34/15/76/527341576.db2.gz XFHYNVCPYUNBIW-UHFFFAOYSA-N 1 2 262.225 1.659 10 5 CDBELO O=[N+]([O-])c1cc2c(cc1NCc1c[nH]c[nH+]1)OCO2 ZINC000054764401 527341580 /nfs/dbraw/zinc/34/15/80/527341580.db2.gz XFHYNVCPYUNBIW-UHFFFAOYSA-N 1 2 262.225 1.659 10 5 CDBELO CC(C)(NC(=O)Cc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001635275653 1166575141 /nfs/dbraw/zinc/57/51/41/1166575141.db2.gz XJOZSEQHFSRISH-UHFFFAOYSA-N 1 2 288.307 1.912 10 5 CDBELO CN(C)c1[nH+]cc(Cn2cnc([N+](=O)[O-])n2)c2ccccc21 ZINC001651767729 1171359646 /nfs/dbraw/zinc/35/96/46/1171359646.db2.gz DCIYSSWCLJOOKO-UHFFFAOYSA-N 1 2 298.306 1.849 10 5 CDBELO C[C@](CO)([NH2+]Cc1ccno1)c1cccc([N+](=O)[O-])c1 ZINC001655318260 1171684845 /nfs/dbraw/zinc/68/48/45/1171684845.db2.gz WOFHWHHJPDNCTC-CYBMUJFWSA-N 1 2 277.280 1.580 10 5 CDBELO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000807271746 820352129 /nfs/dbraw/zinc/35/21/29/820352129.db2.gz LCEOJEKWNWAYGF-JTQLQIEISA-N 1 2 293.323 1.515 10 5 CDBELO C[C@](CO)([NH2+]Cc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001175324961 913540205 /nfs/dbraw/zinc/54/02/05/913540205.db2.gz WZDAZZUIMJCKSA-CYBMUJFWSA-N 1 2 276.296 1.315 10 5 CDBELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001527863384 968741760 /nfs/dbraw/zinc/74/17/60/968741760.db2.gz YICPEOKUEWNHHF-LLVKDONJSA-N 1 2 294.355 1.572 10 5 CDBELO C[C@@](CO)([NH2+]Cc1ccno1)c1cccc([N+](=O)[O-])c1 ZINC001655318261 1171685173 /nfs/dbraw/zinc/68/51/73/1171685173.db2.gz WOFHWHHJPDNCTC-ZDUSSCGKSA-N 1 2 277.280 1.580 10 5 CDBELO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000601020697 342459265 /nfs/dbraw/zinc/45/92/65/342459265.db2.gz ZRGFBYNYXUQCKF-UHFFFAOYSA-N 1 2 293.298 1.654 10 5 CDBELO COCc1n[nH]c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000595070568 343002565 /nfs/dbraw/zinc/00/25/65/343002565.db2.gz VZBXXYQZKXQDTQ-VIFPVBQESA-N 1 2 291.311 1.710 10 5 CDBELO C[C@@H](CNc1ccncc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380055 349801306 /nfs/dbraw/zinc/80/13/06/349801306.db2.gz GKSMJJNIJFHCFN-JTQLQIEISA-N 1 2 261.285 1.935 10 5 CDBELO O=[N+]([O-])c1cnc2ccc(NCCCn3cc[nH+]c3)nn21 ZINC000091424838 342403204 /nfs/dbraw/zinc/40/32/04/342403204.db2.gz GFFNGFOBFMUBSD-UHFFFAOYSA-N 1 2 287.283 1.336 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000049388564 345989167 /nfs/dbraw/zinc/98/91/67/345989167.db2.gz FMIMICUJBUXFFN-UHFFFAOYSA-N 1 2 275.308 1.515 10 5 CDBELO C[NH+]1CCC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000584648741 346506535 /nfs/dbraw/zinc/50/65/35/346506535.db2.gz NYAPABMHWHMXAI-UHFFFAOYSA-N 1 2 284.337 1.463 10 5 CDBELO Cc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nn1C ZINC000612469149 347181222 /nfs/dbraw/zinc/18/12/22/347181222.db2.gz BYJABWFYINDXRR-UHFFFAOYSA-N 1 2 287.323 1.590 10 5 CDBELO Cc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nn1C ZINC000612469149 347181225 /nfs/dbraw/zinc/18/12/25/347181225.db2.gz BYJABWFYINDXRR-UHFFFAOYSA-N 1 2 287.323 1.590 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cs1 ZINC000614420173 348106244 /nfs/dbraw/zinc/10/62/44/348106244.db2.gz NWKUMIQYSCNAAR-SNVBAGLBSA-N 1 2 279.325 1.695 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)cs1 ZINC000614420173 348106246 /nfs/dbraw/zinc/10/62/46/348106246.db2.gz NWKUMIQYSCNAAR-SNVBAGLBSA-N 1 2 279.325 1.695 10 5 CDBELO C[C@@H](O)[C@H](C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276334703 351312392 /nfs/dbraw/zinc/31/23/92/351312392.db2.gz HHOYDZOLYAJDOR-VHSXEESVSA-N 1 2 266.297 1.427 10 5 CDBELO CC[N@@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000233470438 356344065 /nfs/dbraw/zinc/34/40/65/356344065.db2.gz GKNDDLJQOLQCOR-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO CC[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000233470438 356344067 /nfs/dbraw/zinc/34/40/67/356344067.db2.gz GKNDDLJQOLQCOR-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185207224 357522385 /nfs/dbraw/zinc/52/23/85/357522385.db2.gz XTNYHUSGEJMOIB-CQSZACIVSA-N 1 2 278.308 1.586 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185207224 357522389 /nfs/dbraw/zinc/52/23/89/357522389.db2.gz XTNYHUSGEJMOIB-CQSZACIVSA-N 1 2 278.308 1.586 10 5 CDBELO Cc1nc(SC[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000567729160 358724368 /nfs/dbraw/zinc/72/43/68/358724368.db2.gz OFLJONSMJAOVIM-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO Cc1nc(SC[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000567729160 358724370 /nfs/dbraw/zinc/72/43/70/358724370.db2.gz OFLJONSMJAOVIM-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO C[C@@H]([NH2+]Cc1nccc(N)n1)c1ccccc1[N+](=O)[O-] ZINC000342287986 358989622 /nfs/dbraw/zinc/98/96/22/358989622.db2.gz XXDKNNYLIJOJQM-SECBINFHSA-N 1 2 273.296 1.648 10 5 CDBELO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000339098682 359288604 /nfs/dbraw/zinc/28/86/04/359288604.db2.gz DHBITBFTGFNLSQ-TVQRCGJNSA-N 1 2 293.323 1.386 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000339098682 359288605 /nfs/dbraw/zinc/28/86/05/359288605.db2.gz DHBITBFTGFNLSQ-TVQRCGJNSA-N 1 2 293.323 1.386 10 5 CDBELO C[C@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000571519790 359581480 /nfs/dbraw/zinc/58/14/80/359581480.db2.gz OCMYBNGRNZYYNP-LBPRGKRZSA-N 1 2 265.269 1.239 10 5 CDBELO NC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000330613849 203038592 /nfs/dbraw/zinc/03/85/92/203038592.db2.gz RRXUZLUOKBIJLH-UHFFFAOYSA-N 1 2 284.341 1.703 10 5 CDBELO C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000281000755 375032380 /nfs/dbraw/zinc/03/23/80/375032380.db2.gz RFMARTLDXUSHKV-SECBINFHSA-N 1 2 293.323 1.513 10 5 CDBELO C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000281000755 375032382 /nfs/dbraw/zinc/03/23/82/375032382.db2.gz RFMARTLDXUSHKV-SECBINFHSA-N 1 2 293.323 1.513 10 5 CDBELO CCOCC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000444681063 250165824 /nfs/dbraw/zinc/16/58/24/250165824.db2.gz SBPHBUAOLWGKHN-CYBMUJFWSA-N 1 2 295.339 1.135 10 5 CDBELO CCOCC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000444681063 250165828 /nfs/dbraw/zinc/16/58/28/250165828.db2.gz SBPHBUAOLWGKHN-CYBMUJFWSA-N 1 2 295.339 1.135 10 5 CDBELO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532139824 393068149 /nfs/dbraw/zinc/06/81/49/393068149.db2.gz OSLAZLHAAPDOSU-UHFFFAOYSA-N 1 2 274.236 1.646 10 5 CDBELO COC(=O)[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358830127 158044020 /nfs/dbraw/zinc/04/40/20/158044020.db2.gz KOMHVTHCUVCTFQ-CYBMUJFWSA-N 1 2 293.323 1.548 10 5 CDBELO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000339117358 165060931 /nfs/dbraw/zinc/06/09/31/165060931.db2.gz GKNSTQQQNUNOKY-SKDRFNHKSA-N 1 2 294.307 1.684 10 5 CDBELO COC(=O)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000339117358 165060933 /nfs/dbraw/zinc/06/09/33/165060933.db2.gz GKNSTQQQNUNOKY-SKDRFNHKSA-N 1 2 294.307 1.684 10 5 CDBELO [NH3+]C1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCC1 ZINC000571998268 294537470 /nfs/dbraw/zinc/53/74/70/294537470.db2.gz FFWKVIYLYLEFBB-UHFFFAOYSA-N 1 2 251.242 1.120 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000050792568 522647925 /nfs/dbraw/zinc/64/79/25/522647925.db2.gz QRIBMILJFWAYQX-SNVBAGLBSA-N 1 2 265.313 1.857 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C)C1 ZINC000050792568 522647930 /nfs/dbraw/zinc/64/79/30/522647930.db2.gz QRIBMILJFWAYQX-SNVBAGLBSA-N 1 2 265.313 1.857 10 5 CDBELO COC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000133988407 824252978 /nfs/dbraw/zinc/25/29/78/824252978.db2.gz HNGVNMLFXVCKAM-JTQLQIEISA-N 1 2 297.286 1.664 10 5 CDBELO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000133988407 824252987 /nfs/dbraw/zinc/25/29/87/824252987.db2.gz HNGVNMLFXVCKAM-JTQLQIEISA-N 1 2 297.286 1.664 10 5 CDBELO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cn(C)nn1 ZINC000720581762 826220776 /nfs/dbraw/zinc/22/07/76/826220776.db2.gz UMQPMWABCKDEPA-QMMMGPOBSA-N 1 2 279.275 1.713 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840084098 827009259 /nfs/dbraw/zinc/00/92/59/827009259.db2.gz PYRTVRCFNVLPFY-SNVBAGLBSA-N 1 2 291.311 1.326 10 5 CDBELO COC[C@H]1CC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840084098 827009271 /nfs/dbraw/zinc/00/92/71/827009271.db2.gz PYRTVRCFNVLPFY-SNVBAGLBSA-N 1 2 291.311 1.326 10 5 CDBELO C[C@H](CC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013004 936454150 /nfs/dbraw/zinc/45/41/50/936454150.db2.gz AQUYYKBGVRLQDV-SECBINFHSA-N 1 2 281.312 1.827 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)NC2C[NH+](C(C)C)C2)n1 ZINC001296601556 954886263 /nfs/dbraw/zinc/88/62/63/954886263.db2.gz SNCNNAXHXXGIMZ-UHFFFAOYSA-N 1 2 278.312 1.121 10 5 CDBELO Cc1nc(NCc2ccc[nH+]c2N)ncc1[N+](=O)[O-] ZINC001458387122 969294025 /nfs/dbraw/zinc/29/40/25/969294025.db2.gz YYNWKMGPRHCHBV-UHFFFAOYSA-N 1 2 260.257 1.283 10 5 CDBELO O=C(NC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001463625251 969745038 /nfs/dbraw/zinc/74/50/38/969745038.db2.gz PZMMAQLMPYWSAQ-UHFFFAOYSA-N 1 2 272.264 1.673 10 5 CDBELO Cc1[nH]c([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH+]c1C ZINC001471861188 970506791 /nfs/dbraw/zinc/50/67/91/970506791.db2.gz XEJKCRMNEFMAEJ-OUAUKWLOSA-N 1 2 278.312 1.355 10 5 CDBELO CN(Cc1[nH+]ccn1C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601101724 342464036 /nfs/dbraw/zinc/46/40/36/342464036.db2.gz WSKUTCOCVRFNGX-UHFFFAOYSA-N 1 2 265.248 1.499 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595337144 343029306 /nfs/dbraw/zinc/02/93/06/343029306.db2.gz UMWYSRZWOBZYJW-VIFPVBQESA-N 1 2 295.217 1.390 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595337144 343029307 /nfs/dbraw/zinc/02/93/07/343029307.db2.gz UMWYSRZWOBZYJW-VIFPVBQESA-N 1 2 295.217 1.390 10 5 CDBELO CC(CO)(CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599086745 343951258 /nfs/dbraw/zinc/95/12/58/343951258.db2.gz RQXDSMAJKXZEDC-UHFFFAOYSA-N 1 2 291.307 1.546 10 5 CDBELO Cn1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000618575551 345094731 /nfs/dbraw/zinc/09/47/31/345094731.db2.gz QYVBKLQNOCHTHC-CQSZACIVSA-N 1 2 287.323 1.891 10 5 CDBELO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263299850 362726989 /nfs/dbraw/zinc/72/69/89/362726989.db2.gz WWTRYOUIAYQLDQ-JTQLQIEISA-N 1 2 299.277 1.251 10 5 CDBELO CN(Cc1ccc(N)[nH+]c1)c1cccnc1[N+](=O)[O-] ZINC000614977724 348290846 /nfs/dbraw/zinc/29/08/46/348290846.db2.gz FNOHWSFHEVDAST-UHFFFAOYSA-N 1 2 259.269 1.434 10 5 CDBELO Cc1sc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408114368 358159329 /nfs/dbraw/zinc/15/93/29/358159329.db2.gz XQDUCDWLGOWWST-QMMMGPOBSA-N 1 2 283.353 1.741 10 5 CDBELO Cc1sc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408114368 358159331 /nfs/dbraw/zinc/15/93/31/358159331.db2.gz XQDUCDWLGOWWST-QMMMGPOBSA-N 1 2 283.353 1.741 10 5 CDBELO CC[C@@H]([NH2+]Cc1cnn[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000294911907 199244307 /nfs/dbraw/zinc/24/43/07/199244307.db2.gz FTWVHELDSIKYGH-GFCCVEGCSA-N 1 2 261.285 1.954 10 5 CDBELO COc1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1F ZINC000368797360 374327596 /nfs/dbraw/zinc/32/75/96/374327596.db2.gz BMQRXKWFWCWTIY-ZDUSSCGKSA-N 1 2 296.298 1.699 10 5 CDBELO COc1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1F ZINC000368797360 374327600 /nfs/dbraw/zinc/32/76/00/374327600.db2.gz BMQRXKWFWCWTIY-ZDUSSCGKSA-N 1 2 296.298 1.699 10 5 CDBELO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063737712 284764364 /nfs/dbraw/zinc/76/43/64/284764364.db2.gz YJSMTBHOPUXMRM-JTQLQIEISA-N 1 2 295.339 1.761 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412072821 391111730 /nfs/dbraw/zinc/11/17/30/391111730.db2.gz LPJUHRIFVZHKGB-GXFFZTMASA-N 1 2 266.297 1.176 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412072821 391111735 /nfs/dbraw/zinc/11/17/35/391111735.db2.gz LPJUHRIFVZHKGB-GXFFZTMASA-N 1 2 266.297 1.176 10 5 CDBELO C[C@H]1C[C@H](C)[NH+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548754906 392509503 /nfs/dbraw/zinc/50/95/03/392509503.db2.gz XCXIPCGHRHJTEQ-QWRGUYRKSA-N 1 2 298.364 1.851 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000269385193 132163637 /nfs/dbraw/zinc/16/36/37/132163637.db2.gz TZEQUDOLNYBGMC-ZDUSSCGKSA-N 1 2 295.339 1.008 10 5 CDBELO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cn1 ZINC000532405723 393073714 /nfs/dbraw/zinc/07/37/14/393073714.db2.gz APNWGLVOBBRBII-UHFFFAOYSA-N 1 2 297.274 1.568 10 5 CDBELO CC(C)[N@H+](C)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000226291065 140178841 /nfs/dbraw/zinc/17/88/41/140178841.db2.gz AJMRNMNYKBDEQY-UHFFFAOYSA-N 1 2 295.339 1.761 10 5 CDBELO CC(C)[N@@H+](C)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000226291065 140178842 /nfs/dbraw/zinc/17/88/42/140178842.db2.gz AJMRNMNYKBDEQY-UHFFFAOYSA-N 1 2 295.339 1.761 10 5 CDBELO CCN(CC)c1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040608274 174353061 /nfs/dbraw/zinc/35/30/61/174353061.db2.gz ZANPJZLEVMPROD-UHFFFAOYSA-N 1 2 262.273 1.417 10 5 CDBELO Nc1[nH+]c2ccccc2cc1Cn1cc([N+](=O)[O-])cn1 ZINC000050818252 527561932 /nfs/dbraw/zinc/56/19/32/527561932.db2.gz WKKCSCGBDBFSBM-UHFFFAOYSA-N 1 2 269.264 1.970 10 5 CDBELO CC[C@H](C[NH+]1CCOCC1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001612939515 1165525908 /nfs/dbraw/zinc/52/59/08/1165525908.db2.gz IBQZKPISDYJBSS-SNVBAGLBSA-N 1 2 296.327 1.218 10 5 CDBELO CC(C)ONC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001641542836 1167115656 /nfs/dbraw/zinc/11/56/56/1167115656.db2.gz WWKCTEBGOAXIKJ-UHFFFAOYSA-N 1 2 290.279 1.850 10 5 CDBELO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ncccn1 ZINC001654633631 1171626721 /nfs/dbraw/zinc/62/67/21/1171626721.db2.gz NFGBUDKKFIZWTH-UHFFFAOYSA-N 1 2 288.307 1.896 10 5 CDBELO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ncccn1 ZINC001654633631 1171626725 /nfs/dbraw/zinc/62/67/25/1171626725.db2.gz NFGBUDKKFIZWTH-UHFFFAOYSA-N 1 2 288.307 1.896 10 5 CDBELO COc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001637052445 1166722027 /nfs/dbraw/zinc/72/20/27/1166722027.db2.gz PTBKNVHZSWFXSC-UHFFFAOYSA-N 1 2 276.252 1.508 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857985572 833322675 /nfs/dbraw/zinc/32/26/75/833322675.db2.gz PHYBWJJICNZBBA-LBPRGKRZSA-N 1 2 286.291 1.975 10 5 CDBELO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2c[nH+]cc21 ZINC000857991948 828892115 /nfs/dbraw/zinc/89/21/15/828892115.db2.gz QDTRYRZITZCQRG-LBPRGKRZSA-N 1 2 286.291 1.595 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1F ZINC001168300681 908934078 /nfs/dbraw/zinc/93/40/78/908934078.db2.gz NLMBQUYHWHYYHH-LLVKDONJSA-N 1 2 290.254 1.805 10 5 CDBELO CN(CCCNc1ncc([N+](=O)[O-])cn1)c1cccc[nH+]1 ZINC001187438603 920545010 /nfs/dbraw/zinc/54/50/10/920545010.db2.gz XMOPETZSQKXKEC-UHFFFAOYSA-N 1 2 288.311 1.718 10 5 CDBELO CC/C=C/CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001277593177 943073754 /nfs/dbraw/zinc/07/37/54/943073754.db2.gz CUUZSQIKWIAIQX-IJWDBEHRSA-N 1 2 281.356 1.151 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC001459874230 969453960 /nfs/dbraw/zinc/45/39/60/969453960.db2.gz NFEOVAJWMALAQT-IONNQARKSA-N 1 2 255.274 1.094 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC001459874230 969453963 /nfs/dbraw/zinc/45/39/63/969453963.db2.gz NFEOVAJWMALAQT-IONNQARKSA-N 1 2 255.274 1.094 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)NCc1cccc([N+](=O)[O-])c1 ZINC001465192247 969851731 /nfs/dbraw/zinc/85/17/31/969851731.db2.gz ZEZOFPYMVUTNAU-UHFFFAOYSA-N 1 2 260.253 1.177 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001466411816 969952078 /nfs/dbraw/zinc/95/20/78/969952078.db2.gz MCGAIEYCRAYSOD-GFCCVEGCSA-N 1 2 289.335 1.887 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC001466411816 969952079 /nfs/dbraw/zinc/95/20/79/969952079.db2.gz MCGAIEYCRAYSOD-GFCCVEGCSA-N 1 2 289.335 1.887 10 5 CDBELO O=c1[nH]ccc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC001472648785 970682763 /nfs/dbraw/zinc/68/27/63/970682763.db2.gz RPABEIIANLBIFU-UHFFFAOYSA-N 1 2 299.290 1.998 10 5 CDBELO CCc1nn(C)c(NCc2[nH]c(C)c(C)[nH+]2)c1[N+](=O)[O-] ZINC001472883248 970720557 /nfs/dbraw/zinc/72/05/57/970720557.db2.gz LNRAIGXGTARTJM-UHFFFAOYSA-N 1 2 278.316 1.843 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590371318 342538626 /nfs/dbraw/zinc/53/86/26/342538626.db2.gz QJOYNZUIYXGYRO-LBPRGKRZSA-N 1 2 294.307 1.602 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590371318 342538627 /nfs/dbraw/zinc/53/86/27/342538627.db2.gz QJOYNZUIYXGYRO-LBPRGKRZSA-N 1 2 294.307 1.602 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096534 342765728 /nfs/dbraw/zinc/76/57/28/342765728.db2.gz XHKARZZEYZLHMM-FHGNATFXSA-N 1 2 266.322 1.300 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096534 342765729 /nfs/dbraw/zinc/76/57/29/342765729.db2.gz XHKARZZEYZLHMM-FHGNATFXSA-N 1 2 266.322 1.300 10 5 CDBELO C[C@@]1(C(F)F)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000595917104 343191427 /nfs/dbraw/zinc/19/14/27/343191427.db2.gz QMLAJZRCHIGWSJ-NSHDSACASA-N 1 2 290.270 1.147 10 5 CDBELO C[C@@]1(C(F)F)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000595917104 343191428 /nfs/dbraw/zinc/19/14/28/343191428.db2.gz QMLAJZRCHIGWSJ-NSHDSACASA-N 1 2 290.270 1.147 10 5 CDBELO Cc1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000598944632 343925384 /nfs/dbraw/zinc/92/53/84/343925384.db2.gz SAVVVNAHVMKMCT-JTQLQIEISA-N 1 2 286.291 1.454 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599694938 344117651 /nfs/dbraw/zinc/11/76/51/344117651.db2.gz IHVUZJQYVVISMR-GFCCVEGCSA-N 1 2 294.311 1.047 10 5 CDBELO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599694938 344117653 /nfs/dbraw/zinc/11/76/53/344117653.db2.gz IHVUZJQYVVISMR-GFCCVEGCSA-N 1 2 294.311 1.047 10 5 CDBELO COC[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599692668 344122891 /nfs/dbraw/zinc/12/28/91/344122891.db2.gz LHBNCIBUIMJGTC-CQSZACIVSA-N 1 2 280.324 1.832 10 5 CDBELO COC[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599692668 344122893 /nfs/dbraw/zinc/12/28/93/344122893.db2.gz LHBNCIBUIMJGTC-CQSZACIVSA-N 1 2 280.324 1.832 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000293453856 362554142 /nfs/dbraw/zinc/55/41/42/362554142.db2.gz CTXLMBUBQAJRLU-LBPRGKRZSA-N 1 2 294.307 1.682 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000293453856 362554148 /nfs/dbraw/zinc/55/41/48/362554148.db2.gz CTXLMBUBQAJRLU-LBPRGKRZSA-N 1 2 294.307 1.682 10 5 CDBELO O=C(Nc1ccc2[nH+]ccn2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000611205914 346687711 /nfs/dbraw/zinc/68/77/11/346687711.db2.gz OMXOBUBQGLPSPU-UHFFFAOYSA-N 1 2 272.224 1.218 10 5 CDBELO C[C@H](O)[C@H](C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276334692 351312635 /nfs/dbraw/zinc/31/26/35/351312635.db2.gz HHOYDZOLYAJDOR-UWVGGRQHSA-N 1 2 266.297 1.427 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294783745 199181784 /nfs/dbraw/zinc/18/17/84/199181784.db2.gz LIUJVESPBASDEZ-CYBMUJFWSA-N 1 2 296.323 1.187 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000294783745 199181786 /nfs/dbraw/zinc/18/17/86/199181786.db2.gz LIUJVESPBASDEZ-CYBMUJFWSA-N 1 2 296.323 1.187 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368527 359124518 /nfs/dbraw/zinc/12/45/18/359124518.db2.gz DQBBSHMMQHZQDA-TXEJJXNPSA-N 1 2 264.281 1.194 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368527 359124522 /nfs/dbraw/zinc/12/45/22/359124522.db2.gz DQBBSHMMQHZQDA-TXEJJXNPSA-N 1 2 264.281 1.194 10 5 CDBELO COc1cc(NC[C@@H]2CN3CC[NH+]2CC3)ccc1[N+](=O)[O-] ZINC000301772810 201188720 /nfs/dbraw/zinc/18/87/20/201188720.db2.gz KEKCLXVHBTTYSA-GFCCVEGCSA-N 1 2 292.339 1.015 10 5 CDBELO CN(Cc1[nH+]ccn1C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301947447 201271475 /nfs/dbraw/zinc/27/14/75/201271475.db2.gz YAOKELJHMYQORA-UHFFFAOYSA-N 1 2 287.283 1.007 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCSC[C@@H]1CO ZINC000330447387 374856096 /nfs/dbraw/zinc/85/60/96/374856096.db2.gz GBURGKAQOUSLHC-JTQLQIEISA-N 1 2 284.337 1.210 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCSC[C@@H]1CO ZINC000330447387 374856103 /nfs/dbraw/zinc/85/61/03/374856103.db2.gz GBURGKAQOUSLHC-JTQLQIEISA-N 1 2 284.337 1.210 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000332280787 375022984 /nfs/dbraw/zinc/02/29/84/375022984.db2.gz WJTFKWKWGCDLJE-NOZJJQNGSA-N 1 2 290.323 1.674 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000332280787 375022988 /nfs/dbraw/zinc/02/29/88/375022988.db2.gz WJTFKWKWGCDLJE-NOZJJQNGSA-N 1 2 290.323 1.674 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282227635 375072723 /nfs/dbraw/zinc/07/27/23/375072723.db2.gz PFNVEFCVWPGGKV-QWRGUYRKSA-N 1 2 277.324 1.818 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282227635 375072733 /nfs/dbraw/zinc/07/27/33/375072733.db2.gz PFNVEFCVWPGGKV-QWRGUYRKSA-N 1 2 277.324 1.818 10 5 CDBELO COc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000351978541 375346370 /nfs/dbraw/zinc/34/63/70/375346370.db2.gz VSETVNTZEPTGAH-GFCCVEGCSA-N 1 2 293.323 1.443 10 5 CDBELO COc1cc(C[N@H+]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000351978541 375346376 /nfs/dbraw/zinc/34/63/76/375346376.db2.gz VSETVNTZEPTGAH-GFCCVEGCSA-N 1 2 293.323 1.443 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ncccc1[N+](=O)[O-])CC2 ZINC000359992103 292853466 /nfs/dbraw/zinc/85/34/66/292853466.db2.gz GRLJYCHKBGVPNV-UHFFFAOYSA-N 1 2 259.269 1.515 10 5 CDBELO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000517105988 390968394 /nfs/dbraw/zinc/96/83/94/390968394.db2.gz HZHXCYUUTKBMFE-GFCCVEGCSA-N 1 2 279.340 1.826 10 5 CDBELO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000517105988 390968395 /nfs/dbraw/zinc/96/83/95/390968395.db2.gz HZHXCYUUTKBMFE-GFCCVEGCSA-N 1 2 279.340 1.826 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000185918852 140049910 /nfs/dbraw/zinc/04/99/10/140049910.db2.gz FRWWFEBFMWPFOK-CQSZACIVSA-N 1 2 277.324 1.825 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000185918852 140049911 /nfs/dbraw/zinc/04/99/11/140049911.db2.gz FRWWFEBFMWPFOK-CQSZACIVSA-N 1 2 277.324 1.825 10 5 CDBELO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000229980345 140204595 /nfs/dbraw/zinc/20/45/95/140204595.db2.gz NEHPRXZAMHYUKV-VIFPVBQESA-N 1 2 293.323 1.513 10 5 CDBELO CN(C)c1[nH+]cccc1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343091350 152028296 /nfs/dbraw/zinc/02/82/96/152028296.db2.gz BWMXNZKCHYYHMU-UHFFFAOYSA-N 1 2 289.295 1.314 10 5 CDBELO Cc1cc(C(=O)NCCc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000078723491 177375542 /nfs/dbraw/zinc/37/55/42/177375542.db2.gz MEMHDBXGUGPHDK-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO Cc1cc(C(=O)NCCc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000078723491 177375544 /nfs/dbraw/zinc/37/55/44/177375544.db2.gz MEMHDBXGUGPHDK-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO CNc1ccc(Cn2cc([N+](=O)[O-])ccc2=O)c[nH+]1 ZINC000050829097 522628897 /nfs/dbraw/zinc/62/88/97/522628897.db2.gz UUHLQNHIEVPPJR-UHFFFAOYSA-N 1 2 260.253 1.242 10 5 CDBELO COC(=O)[C@H]([NH3+])COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442043 523913053 /nfs/dbraw/zinc/91/30/53/523913053.db2.gz NTTBTWJFDLPDLF-SECBINFHSA-N 1 2 268.269 1.091 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]([NH3+])[C@@H](C)O)n1 ZINC000050441168 526070212 /nfs/dbraw/zinc/07/02/12/526070212.db2.gz MYGGZUJUAXBXKI-GMSGAONNSA-N 1 2 278.268 1.334 10 5 CDBELO Cn1c(C(=O)Nc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000061680304 527044624 /nfs/dbraw/zinc/04/46/24/527044624.db2.gz BXBDWZSTINCPGJ-UHFFFAOYSA-N 1 2 261.241 1.163 10 5 CDBELO Cc1ccc(COC(=O)Cn2ccc([N+](=O)[O-])n2)c(C)[nH+]1 ZINC000772023505 575650964 /nfs/dbraw/zinc/65/09/64/575650964.db2.gz SLASAILZXCOFMP-UHFFFAOYSA-N 1 2 290.279 1.547 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(Cc2cc[nH+]c(N(C)C)c2)c1=O ZINC000762479992 576647524 /nfs/dbraw/zinc/64/75/24/576647524.db2.gz PLQLEVWODXUBJA-UHFFFAOYSA-N 1 2 288.307 1.574 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1cccc([N+](=O)[O-])c1 ZINC001634084938 1166468933 /nfs/dbraw/zinc/46/89/33/1166468933.db2.gz LVXBAGGFZPXYQE-NSHDSACASA-N 1 2 272.264 1.666 10 5 CDBELO Cc1nn(C)c(NCc2[nH]c3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC001655889676 1171735631 /nfs/dbraw/zinc/73/56/31/1171735631.db2.gz ISUPOSWYYCXYHG-UHFFFAOYSA-N 1 2 290.327 1.851 10 5 CDBELO Cc1cc(C)c(CNC(=O)c2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC001583839853 1172783058 /nfs/dbraw/zinc/78/30/58/1172783058.db2.gz SBBPUCOSXSACEB-UHFFFAOYSA-N 1 2 286.291 1.932 10 5 CDBELO Cc1cc(C)c(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c[nH+]1 ZINC001585012221 1172870449 /nfs/dbraw/zinc/87/04/49/1172870449.db2.gz UFRYWAFLXKVMPL-UHFFFAOYSA-N 1 2 289.295 1.270 10 5 CDBELO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844748388 837121555 /nfs/dbraw/zinc/12/15/55/837121555.db2.gz RUDBYTLDEQSHGV-JTQLQIEISA-N 1 2 272.255 1.870 10 5 CDBELO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844748388 837121561 /nfs/dbraw/zinc/12/15/61/837121561.db2.gz RUDBYTLDEQSHGV-JTQLQIEISA-N 1 2 272.255 1.870 10 5 CDBELO CC(C)c1[nH]cc(CNc2nn(C)cc2[N+](=O)[O-])[nH+]1 ZINC001187724782 920623615 /nfs/dbraw/zinc/62/36/15/920623615.db2.gz PCRXLIUXJZOSJK-UHFFFAOYSA-N 1 2 264.289 1.787 10 5 CDBELO CC(C)c1[nH]c(CNc2nn(C)cc2[N+](=O)[O-])c[nH+]1 ZINC001187724782 920623624 /nfs/dbraw/zinc/62/36/24/920623624.db2.gz PCRXLIUXJZOSJK-UHFFFAOYSA-N 1 2 264.289 1.787 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC001459874222 969455514 /nfs/dbraw/zinc/45/55/14/969455514.db2.gz NFEOVAJWMALAQT-APPZFPTMSA-N 1 2 255.274 1.094 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC001459874222 969455517 /nfs/dbraw/zinc/45/55/17/969455517.db2.gz NFEOVAJWMALAQT-APPZFPTMSA-N 1 2 255.274 1.094 10 5 CDBELO CC[C@H](C[N+](=O)[O-])OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC001520099602 970143256 /nfs/dbraw/zinc/14/32/56/970143256.db2.gz SIJSMUQYHYWKPS-VHSXEESVSA-N 1 2 276.358 1.022 10 5 CDBELO CC[C@H](C[N+](=O)[O-])OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC001520099602 970143260 /nfs/dbraw/zinc/14/32/60/970143260.db2.gz SIJSMUQYHYWKPS-VHSXEESVSA-N 1 2 276.358 1.022 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000590658753 342581326 /nfs/dbraw/zinc/58/13/26/342581326.db2.gz SBNGOQJSOGDRKP-LLVKDONJSA-N 1 2 282.271 1.925 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000590658753 342581327 /nfs/dbraw/zinc/58/13/27/342581327.db2.gz SBNGOQJSOGDRKP-LLVKDONJSA-N 1 2 282.271 1.925 10 5 CDBELO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590875292 342602444 /nfs/dbraw/zinc/60/24/44/342602444.db2.gz FHCQIIPCRWISFH-VIFPVBQESA-N 1 2 289.295 1.697 10 5 CDBELO CC(C)(C)NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153088123 342144082 /nfs/dbraw/zinc/14/40/82/342144082.db2.gz XWVYWPQLJCZLIL-UHFFFAOYSA-N 1 2 291.351 1.868 10 5 CDBELO CC(C)(C)NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153088123 342144083 /nfs/dbraw/zinc/14/40/83/342144083.db2.gz XWVYWPQLJCZLIL-UHFFFAOYSA-N 1 2 291.351 1.868 10 5 CDBELO COCc1n[nH]c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000595070567 343002437 /nfs/dbraw/zinc/00/24/37/343002437.db2.gz VZBXXYQZKXQDTQ-SECBINFHSA-N 1 2 291.311 1.710 10 5 CDBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)C1([NH2+]C2CC2)CCC1 ZINC000595950984 343194586 /nfs/dbraw/zinc/19/45/86/343194586.db2.gz IARUUSACCVFHGN-UHFFFAOYSA-N 1 2 291.307 1.914 10 5 CDBELO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598738490 343892434 /nfs/dbraw/zinc/89/24/34/343892434.db2.gz MLWSVIMDXFQTAV-MRVPVSSYSA-N 1 2 292.299 1.036 10 5 CDBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1csc([N+](=O)[O-])c1 ZINC000598945030 343925145 /nfs/dbraw/zinc/92/51/45/343925145.db2.gz XLZMAQKWMVNSIZ-MRVPVSSYSA-N 1 2 278.293 1.208 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1COCC[N@H+]1C ZINC000599160906 343970812 /nfs/dbraw/zinc/97/08/12/343970812.db2.gz LHIVWEZTRILHIS-GFCCVEGCSA-N 1 2 265.313 1.646 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1COCC[N@@H+]1C ZINC000599160906 343970814 /nfs/dbraw/zinc/97/08/14/343970814.db2.gz LHIVWEZTRILHIS-GFCCVEGCSA-N 1 2 265.313 1.646 10 5 CDBELO CON1CCC([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000453626899 252329853 /nfs/dbraw/zinc/32/98/53/252329853.db2.gz UKTXSKQLNVUBOP-UHFFFAOYSA-N 1 2 295.339 1.758 10 5 CDBELO CON1CCC([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000453626899 252329854 /nfs/dbraw/zinc/32/98/54/252329854.db2.gz UKTXSKQLNVUBOP-UHFFFAOYSA-N 1 2 295.339 1.758 10 5 CDBELO CN(Cc1cn(C)c[nH+]1)Cc1ccccc1[N+](=O)[O-] ZINC000618903864 345443283 /nfs/dbraw/zinc/44/32/83/345443283.db2.gz QIQPCLJSGXCBLY-UHFFFAOYSA-N 1 2 260.297 1.960 10 5 CDBELO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000271716735 191288845 /nfs/dbraw/zinc/28/88/45/191288845.db2.gz QKVQHYICIMQPJO-JTQLQIEISA-N 1 2 278.230 1.950 10 5 CDBELO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000271716735 191288847 /nfs/dbraw/zinc/28/88/47/191288847.db2.gz QKVQHYICIMQPJO-JTQLQIEISA-N 1 2 278.230 1.950 10 5 CDBELO Cn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000336810767 356272826 /nfs/dbraw/zinc/27/28/26/356272826.db2.gz JFWQASSEMUAYIB-UHFFFAOYSA-N 1 2 264.260 1.757 10 5 CDBELO CCCN(CC[NH+](C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233019539 283231230 /nfs/dbraw/zinc/23/12/30/283231230.db2.gz STJSXNCTADXQAM-UHFFFAOYSA-N 1 2 295.339 1.714 10 5 CDBELO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597702188 358693019 /nfs/dbraw/zinc/69/30/19/358693019.db2.gz YXKNHPXMUMYRSY-GXSJLCMTSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330471850 374855412 /nfs/dbraw/zinc/85/54/12/374855412.db2.gz OPOHNLFGBJTQGI-JOYOIKCWSA-N 1 2 299.352 1.019 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330471850 374855420 /nfs/dbraw/zinc/85/54/20/374855420.db2.gz OPOHNLFGBJTQGI-JOYOIKCWSA-N 1 2 299.352 1.019 10 5 CDBELO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cocn3)CC2)n1 ZINC000425957823 393034064 /nfs/dbraw/zinc/03/40/64/393034064.db2.gz KLZDIPFIOQHDBA-UHFFFAOYSA-N 1 2 277.284 1.616 10 5 CDBELO CCn1cc[nH+]c1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195055287 393053400 /nfs/dbraw/zinc/05/34/00/393053400.db2.gz NIUPKIDYMLIIFD-UHFFFAOYSA-N 1 2 261.285 1.933 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285171163 196213453 /nfs/dbraw/zinc/21/34/53/196213453.db2.gz BCWGLVGSKVDRKL-HNNXBMFYSA-N 1 2 292.335 1.976 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285171163 196213454 /nfs/dbraw/zinc/21/34/54/196213454.db2.gz BCWGLVGSKVDRKL-HNNXBMFYSA-N 1 2 292.335 1.976 10 5 CDBELO O=[N+]([O-])c1c(NC2CCCC2)ncnc1-n1cc[nH+]c1 ZINC000040661150 174365859 /nfs/dbraw/zinc/36/58/59/174365859.db2.gz HJAQNZJWILJOQH-UHFFFAOYSA-N 1 2 274.284 1.925 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CCc4[nH+]c[nH]c4C3)[nH]c2c1 ZINC000450532618 275037502 /nfs/dbraw/zinc/03/75/02/275037502.db2.gz QCDIVILIOGRIMS-QMMMGPOBSA-N 1 2 298.306 1.586 10 5 CDBELO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000408076438 288099452 /nfs/dbraw/zinc/09/94/52/288099452.db2.gz IYNFNTMRIMHCLR-VHSXEESVSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000408076438 288099453 /nfs/dbraw/zinc/09/94/53/288099453.db2.gz IYNFNTMRIMHCLR-VHSXEESVSA-N 1 2 293.323 1.465 10 5 CDBELO O=C(CC1CC[NH2+]CC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000582545020 324996479 /nfs/dbraw/zinc/99/64/79/324996479.db2.gz IPMRGFUAPNAJRE-UHFFFAOYSA-N 1 2 279.296 1.629 10 5 CDBELO CCOC(=O)[C@@H](CCOc1cccc([N+](=O)[O-])c1C)[NH2+]C ZINC000062540481 521062700 /nfs/dbraw/zinc/06/27/00/521062700.db2.gz GIBTVSRYIQSBIO-LLVKDONJSA-N 1 2 296.323 1.823 10 5 CDBELO CNc1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)c[nH+]1 ZINC000050829282 522628560 /nfs/dbraw/zinc/62/85/60/522628560.db2.gz HPCANNJYZNGATJ-UHFFFAOYSA-N 1 2 261.285 1.893 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000050812509 522645011 /nfs/dbraw/zinc/64/50/11/522645011.db2.gz KLAHOHROVVWXSG-LBPRGKRZSA-N 1 2 278.312 1.086 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000050812509 522645022 /nfs/dbraw/zinc/64/50/22/522645022.db2.gz KLAHOHROVVWXSG-LBPRGKRZSA-N 1 2 278.312 1.086 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]([NH3+])[C@H](C)O)n1 ZINC000050441171 526069344 /nfs/dbraw/zinc/06/93/44/526069344.db2.gz MYGGZUJUAXBXKI-XVKPBYJWSA-N 1 2 278.268 1.334 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)n1 ZINC001642427801 1167174700 /nfs/dbraw/zinc/17/47/00/1167174700.db2.gz WZZRQBXAAJJZRG-UHFFFAOYSA-N 1 2 272.268 1.588 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001570014689 1170059849 /nfs/dbraw/zinc/05/98/49/1170059849.db2.gz PKYBSYQWQZFVTJ-UHFFFAOYSA-N 1 2 290.279 1.898 10 5 CDBELO Cn1cc[nH+]c1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001651652482 1171340225 /nfs/dbraw/zinc/34/02/25/1171340225.db2.gz ARYJKEDTPPGCEE-UHFFFAOYSA-N 1 2 292.270 1.440 10 5 CDBELO CC(C)(CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N+](=O)[O-] ZINC001630683570 1166223616 /nfs/dbraw/zinc/22/36/16/1166223616.db2.gz AAMJOZSMBPQEHM-UHFFFAOYSA-N 1 2 294.355 1.951 10 5 CDBELO CC(C)(CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N+](=O)[O-] ZINC001630683570 1166223624 /nfs/dbraw/zinc/22/36/24/1166223624.db2.gz AAMJOZSMBPQEHM-UHFFFAOYSA-N 1 2 294.355 1.951 10 5 CDBELO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cn(C)nn1 ZINC000720581760 846313089 /nfs/dbraw/zinc/31/30/89/846313089.db2.gz UMQPMWABCKDEPA-MRVPVSSYSA-N 1 2 279.275 1.713 10 5 CDBELO CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NC ZINC000872077641 846987317 /nfs/dbraw/zinc/98/73/17/846987317.db2.gz KNVBYJYLOMAZMM-WCBMZHEXSA-N 1 2 283.303 1.909 10 5 CDBELO Cc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857991201 847088857 /nfs/dbraw/zinc/08/88/57/847088857.db2.gz VSWQTLIKKIMICL-LLVKDONJSA-N 1 2 286.291 1.975 10 5 CDBELO O=c1[nH]ccc(NCc2[nH]c3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC001164212290 939431372 /nfs/dbraw/zinc/43/13/72/939431372.db2.gz KFZMYXSHBUTYML-UHFFFAOYSA-N 1 2 289.295 1.909 10 5 CDBELO C[C@H](c1c([N+](=O)[O-])cnn1[C@H]1CCCCO1)[N@H+](C)CCO ZINC000224885872 343081176 /nfs/dbraw/zinc/08/11/76/343081176.db2.gz OWTZMRVXEYEESD-ZYHUDNBSSA-N 1 2 298.343 1.476 10 5 CDBELO C[C@H](c1c([N+](=O)[O-])cnn1[C@H]1CCCCO1)[N@@H+](C)CCO ZINC000224885872 343081179 /nfs/dbraw/zinc/08/11/79/343081179.db2.gz OWTZMRVXEYEESD-ZYHUDNBSSA-N 1 2 298.343 1.476 10 5 CDBELO CC1(C(N)=O)C[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595562432 343098497 /nfs/dbraw/zinc/09/84/97/343098497.db2.gz KVAHQDPFEYBWSR-UHFFFAOYSA-N 1 2 267.260 1.041 10 5 CDBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407316527 349899071 /nfs/dbraw/zinc/89/90/71/349899071.db2.gz IBODNTKCZVDCHB-MNOVXSKESA-N 1 2 291.307 1.770 10 5 CDBELO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000293411302 362559470 /nfs/dbraw/zinc/55/94/70/362559470.db2.gz MLIMOMJLGZEVKP-NXEZZACHSA-N 1 2 263.297 1.874 10 5 CDBELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000293411302 362559473 /nfs/dbraw/zinc/55/94/73/362559473.db2.gz MLIMOMJLGZEVKP-NXEZZACHSA-N 1 2 263.297 1.874 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cn(C)nn1 ZINC000611184924 346633337 /nfs/dbraw/zinc/63/33/37/346633337.db2.gz GITPYWOKWFBSMC-JTQLQIEISA-N 1 2 275.312 1.916 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cn(C)nn1 ZINC000611184924 346633339 /nfs/dbraw/zinc/63/33/39/346633339.db2.gz GITPYWOKWFBSMC-JTQLQIEISA-N 1 2 275.312 1.916 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000293649317 362803046 /nfs/dbraw/zinc/80/30/46/362803046.db2.gz SJCFOFNLCBQKJD-NSHDSACASA-N 1 2 254.261 1.955 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000293649317 362803056 /nfs/dbraw/zinc/80/30/56/362803056.db2.gz SJCFOFNLCBQKJD-NSHDSACASA-N 1 2 254.261 1.955 10 5 CDBELO CN(C)c1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000614050493 347969838 /nfs/dbraw/zinc/96/98/38/347969838.db2.gz CDNSBZXQVIPDAE-UHFFFAOYSA-N 1 2 287.279 1.125 10 5 CDBELO C[C@]1(CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559152414 356179909 /nfs/dbraw/zinc/17/99/09/356179909.db2.gz LMFSQJKBYFAUEE-CYBMUJFWSA-N 1 2 266.297 1.647 10 5 CDBELO C[C@]1(CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559152414 356179911 /nfs/dbraw/zinc/17/99/11/356179911.db2.gz LMFSQJKBYFAUEE-CYBMUJFWSA-N 1 2 266.297 1.647 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338367006 359124400 /nfs/dbraw/zinc/12/44/00/359124400.db2.gz NIQUPOXGQILVCA-UTUOFQBUSA-N 1 2 278.308 1.755 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338367006 359124401 /nfs/dbraw/zinc/12/44/01/359124401.db2.gz NIQUPOXGQILVCA-UTUOFQBUSA-N 1 2 278.308 1.755 10 5 CDBELO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000338955396 359238302 /nfs/dbraw/zinc/23/83/02/359238302.db2.gz NLHHDQLHWSOMAX-SNVBAGLBSA-N 1 2 294.307 1.685 10 5 CDBELO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000338955396 359238306 /nfs/dbraw/zinc/23/83/06/359238306.db2.gz NLHHDQLHWSOMAX-SNVBAGLBSA-N 1 2 294.307 1.685 10 5 CDBELO CCOC(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347782966 359638010 /nfs/dbraw/zinc/63/80/10/359638010.db2.gz JJPRZEVPXIFSJU-UHFFFAOYSA-N 1 2 279.296 1.301 10 5 CDBELO CCOC(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347782966 359638014 /nfs/dbraw/zinc/63/80/14/359638014.db2.gz JJPRZEVPXIFSJU-UHFFFAOYSA-N 1 2 279.296 1.301 10 5 CDBELO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000358283276 360930833 /nfs/dbraw/zinc/93/08/33/360930833.db2.gz LKRRJHIXSPVJQQ-UHFFFAOYSA-N 1 2 286.291 1.930 10 5 CDBELO O=C(NCc1[nH]cc[nH+]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000114336199 374305567 /nfs/dbraw/zinc/30/55/67/374305567.db2.gz UIVIPIBXXCYCSG-UHFFFAOYSA-N 1 2 285.263 1.729 10 5 CDBELO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330443734 374853098 /nfs/dbraw/zinc/85/30/98/374853098.db2.gz BPFHOXOGNBJCHJ-QWRGUYRKSA-N 1 2 279.340 1.825 10 5 CDBELO O=[N+]([O-])c1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1 ZINC000048561650 375321726 /nfs/dbraw/zinc/32/17/26/375321726.db2.gz OXVCDEYWNRFGBT-UHFFFAOYSA-N 1 2 271.236 1.890 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191519043 393118437 /nfs/dbraw/zinc/11/84/37/393118437.db2.gz YTQPCVHZOXHCHO-RISCZKNCSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191519043 393118441 /nfs/dbraw/zinc/11/84/41/393118441.db2.gz YTQPCVHZOXHCHO-RISCZKNCSA-N 1 2 280.324 1.485 10 5 CDBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC1CC1 ZINC000153146463 289159153 /nfs/dbraw/zinc/15/91/53/289159153.db2.gz KRJQFGYCLTVASL-UHFFFAOYSA-N 1 2 275.308 1.232 10 5 CDBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC1CC1 ZINC000153146463 289159154 /nfs/dbraw/zinc/15/91/54/289159154.db2.gz KRJQFGYCLTVASL-UHFFFAOYSA-N 1 2 275.308 1.232 10 5 CDBELO O=[N+]([O-])c1cccc2c1CCN(Cc1[nH]cc[nH+]1)C2 ZINC000153279226 289163189 /nfs/dbraw/zinc/16/31/89/289163189.db2.gz NIPURUCJDCBHSF-UHFFFAOYSA-N 1 2 258.281 1.876 10 5 CDBELO CCOC(=O)[C@H](CCOc1cc(C)ccc1[N+](=O)[O-])[NH2+]C ZINC000062539857 521247377 /nfs/dbraw/zinc/24/73/77/521247377.db2.gz DRJQUIZNMDFWLX-NSHDSACASA-N 1 2 296.323 1.823 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N(C)C ZINC000050813455 522646158 /nfs/dbraw/zinc/64/61/58/522646158.db2.gz LOGMEEQCVQAJBM-UHFFFAOYSA-N 1 2 280.328 1.157 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N(C)C ZINC000050813455 522646160 /nfs/dbraw/zinc/64/61/60/522646160.db2.gz LOGMEEQCVQAJBM-UHFFFAOYSA-N 1 2 280.328 1.157 10 5 CDBELO COc1ccc(C(=O)Nc2ccc(N)[nH+]c2)cc1[N+](=O)[O-] ZINC000061680323 523751866 /nfs/dbraw/zinc/75/18/66/523751866.db2.gz TXXJIOHVXMOJKW-UHFFFAOYSA-N 1 2 288.263 1.833 10 5 CDBELO NNc1ccc(CN2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000062321333 527278730 /nfs/dbraw/zinc/27/87/30/527278730.db2.gz NSYYFEHKEJOUPL-UHFFFAOYSA-N 1 2 288.311 1.093 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCOCC3)C2)n1 ZINC000858600694 698030042 /nfs/dbraw/zinc/03/00/42/698030042.db2.gz SUMSVQRYILTXBM-UHFFFAOYSA-N 1 2 292.339 1.573 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840084054 705282763 /nfs/dbraw/zinc/28/27/63/705282763.db2.gz UVLJTQGXYPRDSU-LBPRGKRZSA-N 1 2 276.296 1.623 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840084054 705282768 /nfs/dbraw/zinc/28/27/68/705282768.db2.gz UVLJTQGXYPRDSU-LBPRGKRZSA-N 1 2 276.296 1.623 10 5 CDBELO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001194383663 924197059 /nfs/dbraw/zinc/19/70/59/924197059.db2.gz GNWFYGZAIPXHRL-UFBFGSQYSA-N 1 2 252.270 1.256 10 5 CDBELO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001194383663 924197061 /nfs/dbraw/zinc/19/70/61/924197061.db2.gz GNWFYGZAIPXHRL-UFBFGSQYSA-N 1 2 252.270 1.256 10 5 CDBELO CC(C)(CCC(=O)N1CC(n2cc[nH+]c2)C1)[N+](=O)[O-] ZINC001136819113 931388603 /nfs/dbraw/zinc/38/86/03/931388603.db2.gz UMHMUZRNYVMRQX-UHFFFAOYSA-N 1 2 266.301 1.102 10 5 CDBELO Cc1c(CNC(=O)Cc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC001466893932 970010474 /nfs/dbraw/zinc/01/04/74/970010474.db2.gz MAWGMNLOLCTDHZ-UHFFFAOYSA-N 1 2 274.280 1.485 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1N1CCn2c[nH+]cc2C1 ZINC000601165867 342485070 /nfs/dbraw/zinc/48/50/70/342485070.db2.gz AKCPWCUXSZBCHT-UHFFFAOYSA-N 1 2 263.232 1.346 10 5 CDBELO CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258174 342683399 /nfs/dbraw/zinc/68/33/99/342683399.db2.gz QEAPDUNKRYUJIS-JTQLQIEISA-N 1 2 265.269 1.237 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)CC2 ZINC000611736660 346865976 /nfs/dbraw/zinc/86/59/76/346865976.db2.gz QNQCNQAJZVMSPR-UHFFFAOYSA-N 1 2 275.268 1.084 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3[nH+]c[nH]c3C2)n1 ZINC000596237780 343283126 /nfs/dbraw/zinc/28/31/26/343283126.db2.gz XOSOXIJUTYFPMC-UHFFFAOYSA-N 1 2 273.296 1.892 10 5 CDBELO COc1cc(NC[C@H]2COCC[N@@H+]2C)c([N+](=O)[O-])cc1C ZINC000599161547 343971561 /nfs/dbraw/zinc/97/15/61/343971561.db2.gz RFSDLNLJHQPNKV-NSHDSACASA-N 1 2 295.339 1.654 10 5 CDBELO COc1cc(NC[C@H]2COCC[N@H+]2C)c([N+](=O)[O-])cc1C ZINC000599161547 343971565 /nfs/dbraw/zinc/97/15/65/343971565.db2.gz RFSDLNLJHQPNKV-NSHDSACASA-N 1 2 295.339 1.654 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293058644 362528484 /nfs/dbraw/zinc/52/84/84/362528484.db2.gz RZXGWELYNMENNN-ZJUUUORDSA-N 1 2 293.323 1.882 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293058644 362528487 /nfs/dbraw/zinc/52/84/87/362528487.db2.gz RZXGWELYNMENNN-ZJUUUORDSA-N 1 2 293.323 1.882 10 5 CDBELO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344419833 362765773 /nfs/dbraw/zinc/76/57/73/362765773.db2.gz NRQYGOYVWHWVFU-SNVBAGLBSA-N 1 2 266.301 1.122 10 5 CDBELO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344419833 362765779 /nfs/dbraw/zinc/76/57/79/362765779.db2.gz NRQYGOYVWHWVFU-SNVBAGLBSA-N 1 2 266.301 1.122 10 5 CDBELO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])nc2)C1 ZINC000566161179 357427111 /nfs/dbraw/zinc/42/71/11/357427111.db2.gz WPZDMHJDTQVVAO-SECBINFHSA-N 1 2 269.326 1.413 10 5 CDBELO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])nc2)C1 ZINC000566161179 357427117 /nfs/dbraw/zinc/42/71/17/357427117.db2.gz WPZDMHJDTQVVAO-SECBINFHSA-N 1 2 269.326 1.413 10 5 CDBELO CC[C@@H]([NH2+]Cc1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000287025474 358081919 /nfs/dbraw/zinc/08/19/19/358081919.db2.gz LLKWYRVEPNBNTL-CYBMUJFWSA-N 1 2 275.312 1.964 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCCCO1)CC2 ZINC000408199740 358374566 /nfs/dbraw/zinc/37/45/66/358374566.db2.gz WEBMLIFMWJGJKW-CYBMUJFWSA-N 1 2 277.324 1.917 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCCCO1)CC2 ZINC000408199740 358374568 /nfs/dbraw/zinc/37/45/68/358374568.db2.gz WEBMLIFMWJGJKW-CYBMUJFWSA-N 1 2 277.324 1.917 10 5 CDBELO CCn1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000294921043 199249479 /nfs/dbraw/zinc/24/94/79/199249479.db2.gz BMAMLQGLGTWZKX-UHFFFAOYSA-N 1 2 275.312 1.804 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000339133922 359296597 /nfs/dbraw/zinc/29/65/97/359296597.db2.gz QTQVGPJNWKCRRV-AWEZNQCLSA-N 1 2 278.308 1.647 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000339133922 359296599 /nfs/dbraw/zinc/29/65/99/359296599.db2.gz QTQVGPJNWKCRRV-AWEZNQCLSA-N 1 2 278.308 1.647 10 5 CDBELO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[N+](=O)[O-])C[C@@H]21 ZINC000580521789 363918165 /nfs/dbraw/zinc/91/81/65/363918165.db2.gz MFMPREYBHWCOLY-KOLCDFICSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[N+](=O)[O-])C[C@@H]21 ZINC000580521789 363918167 /nfs/dbraw/zinc/91/81/67/363918167.db2.gz MFMPREYBHWCOLY-KOLCDFICSA-N 1 2 291.307 1.077 10 5 CDBELO O=C1C[C@@]2(CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CN1 ZINC000578147143 372319278 /nfs/dbraw/zinc/31/92/78/372319278.db2.gz RYOMYCCFZCPTQA-AWEZNQCLSA-N 1 2 291.307 1.012 10 5 CDBELO O=C1C[C@@]2(CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)CN1 ZINC000578147143 372319286 /nfs/dbraw/zinc/31/92/86/372319286.db2.gz RYOMYCCFZCPTQA-AWEZNQCLSA-N 1 2 291.307 1.012 10 5 CDBELO COC(=O)c1cc([N+](=O)[O-])c(/C=C/[NH+](C)C)c([N+](=O)[O-])c1 ZINC000091351829 373970546 /nfs/dbraw/zinc/97/05/46/373970546.db2.gz XQXLEMPTISWGMH-SNAWJCMRSA-N 1 2 295.251 1.822 10 5 CDBELO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000368959472 374339775 /nfs/dbraw/zinc/33/97/75/374339775.db2.gz WAHBSXUILLXMNG-UMNHJUIQSA-N 1 2 295.364 1.742 10 5 CDBELO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000368959472 374339782 /nfs/dbraw/zinc/33/97/82/374339782.db2.gz WAHBSXUILLXMNG-UMNHJUIQSA-N 1 2 295.364 1.742 10 5 CDBELO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371309633 374414593 /nfs/dbraw/zinc/41/45/93/374414593.db2.gz ZBUOKJRFHIPNGC-UHFFFAOYSA-N 1 2 290.283 1.061 10 5 CDBELO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371309633 374414599 /nfs/dbraw/zinc/41/45/99/374414599.db2.gz ZBUOKJRFHIPNGC-UHFFFAOYSA-N 1 2 290.283 1.061 10 5 CDBELO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000275205383 374691499 /nfs/dbraw/zinc/69/14/99/374691499.db2.gz GYBWWHXJCRAJQY-LLVKDONJSA-N 1 2 278.308 1.885 10 5 CDBELO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000275205383 374691503 /nfs/dbraw/zinc/69/15/03/374691503.db2.gz GYBWWHXJCRAJQY-LLVKDONJSA-N 1 2 278.308 1.885 10 5 CDBELO Cn1c[nH+]cc1Cc1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000357928708 375941229 /nfs/dbraw/zinc/94/12/29/375941229.db2.gz CKGGUGLEZKKGTA-UHFFFAOYSA-N 1 2 285.263 1.969 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](O)C4(CC4)C3)nc2c1 ZINC000444668074 250162269 /nfs/dbraw/zinc/16/22/69/250162269.db2.gz BJMHRQAJTJBAQU-LBPRGKRZSA-N 1 2 288.307 1.428 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](O)C4(CC4)C3)nc2c1 ZINC000444668074 250162271 /nfs/dbraw/zinc/16/22/71/250162271.db2.gz BJMHRQAJTJBAQU-LBPRGKRZSA-N 1 2 288.307 1.428 10 5 CDBELO C[C@@H](O)[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412087260 391118772 /nfs/dbraw/zinc/11/87/72/391118772.db2.gz WUCKMFWUXZDWKL-BXUZGUMPSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@@H](O)[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412087260 391118777 /nfs/dbraw/zinc/11/87/77/391118777.db2.gz WUCKMFWUXZDWKL-BXUZGUMPSA-N 1 2 296.323 1.055 10 5 CDBELO O=C(NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cn1 ZINC000532400874 393073020 /nfs/dbraw/zinc/07/30/20/393073020.db2.gz YDZRYPDGCZWWSG-UHFFFAOYSA-N 1 2 287.279 1.227 10 5 CDBELO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000234321237 140230007 /nfs/dbraw/zinc/23/00/07/140230007.db2.gz JEADVOCMXGMRCR-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000078742318 177380696 /nfs/dbraw/zinc/38/06/96/177380696.db2.gz BYDIGFDQKJKUPK-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000078742318 177380697 /nfs/dbraw/zinc/38/06/97/177380697.db2.gz BYDIGFDQKJKUPK-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO O=[N+]([O-])c1cc(Cl)cnc1N1CC(n2cc[nH+]c2)C1 ZINC000532934363 282066547 /nfs/dbraw/zinc/06/65/47/282066547.db2.gz IZVKVGZVHJJKHO-UHFFFAOYSA-N 1 2 279.687 1.901 10 5 CDBELO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000575866508 317028992 /nfs/dbraw/zinc/02/89/92/317028992.db2.gz VSJBSDNMXPFUAF-ZJUUUORDSA-N 1 2 279.296 1.627 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000183391091 525563582 /nfs/dbraw/zinc/56/35/82/525563582.db2.gz NMAJEHCXDBBURY-ZDUSSCGKSA-N 1 2 290.323 1.113 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000183391091 525563590 /nfs/dbraw/zinc/56/35/90/525563590.db2.gz NMAJEHCXDBBURY-ZDUSSCGKSA-N 1 2 290.323 1.113 10 5 CDBELO Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C2CC2)c[nH+]1 ZINC000061680203 527493573 /nfs/dbraw/zinc/49/35/73/527493573.db2.gz VRSPXLWYRGKTPG-UHFFFAOYSA-N 1 2 287.279 1.961 10 5 CDBELO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(C3CC3)CC2)cc1 ZINC000776580014 705675055 /nfs/dbraw/zinc/67/50/55/705675055.db2.gz QLGBXZMBDTVOFZ-OAHLLOKOSA-N 1 2 291.351 1.408 10 5 CDBELO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CCOC1=S ZINC000795643638 710523671 /nfs/dbraw/zinc/52/36/71/710523671.db2.gz FZJJVEKDWFBDJW-UHFFFAOYSA-N 1 2 295.364 1.644 10 5 CDBELO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CCOC1=S ZINC000795643638 710523677 /nfs/dbraw/zinc/52/36/77/710523677.db2.gz FZJJVEKDWFBDJW-UHFFFAOYSA-N 1 2 295.364 1.644 10 5 CDBELO C[C@H]1[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719337466 711734620 /nfs/dbraw/zinc/73/46/20/711734620.db2.gz NAVTZAIBUCUVKP-KWQFWETISA-N 1 2 279.296 1.123 10 5 CDBELO C[C@H]1[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719337466 711734622 /nfs/dbraw/zinc/73/46/22/711734622.db2.gz NAVTZAIBUCUVKP-KWQFWETISA-N 1 2 279.296 1.123 10 5 CDBELO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[NH+](C2CC2)CC1 ZINC000038106744 711742680 /nfs/dbraw/zinc/74/26/80/711742680.db2.gz RDZHNNSDPVNRGC-UHFFFAOYSA-N 1 2 293.298 1.654 10 5 CDBELO CCn1c[nH+]c2c1CCN(c1nn(C)cc1[N+](=O)[O-])C2 ZINC001164206128 939429831 /nfs/dbraw/zinc/42/98/31/939429831.db2.gz PNZMUERJSJZTLP-UHFFFAOYSA-N 1 2 276.300 1.107 10 5 CDBELO Cc1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001543546746 967306917 /nfs/dbraw/zinc/30/69/17/967306917.db2.gz WQYPXTNBZXVXBZ-ZDUSSCGKSA-N 1 2 287.275 1.392 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(N3CC(n4cc[nH+]c4)C3)nc2c1 ZINC001458238287 969273360 /nfs/dbraw/zinc/27/33/60/969273360.db2.gz RLGKGJWWAIOBSX-UHFFFAOYSA-N 1 2 284.279 1.729 10 5 CDBELO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1noc(C)n1 ZINC001459927750 969461154 /nfs/dbraw/zinc/46/11/54/969461154.db2.gz CGIXPJKCLIYXJJ-SECBINFHSA-N 1 2 280.288 1.224 10 5 CDBELO CN(CCCC[NH+](C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586784590 342469249 /nfs/dbraw/zinc/46/92/49/342469249.db2.gz LYXSHPPVKKVCFE-UHFFFAOYSA-N 1 2 295.339 1.714 10 5 CDBELO O=[N+]([O-])c1cnccc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596247939 343273676 /nfs/dbraw/zinc/27/36/76/343273676.db2.gz UANMLUJBVOCBKU-GFCCVEGCSA-N 1 2 292.339 1.291 10 5 CDBELO CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000598572074 343832962 /nfs/dbraw/zinc/83/29/62/343832962.db2.gz KSTBKHZJFTXXHC-NSHDSACASA-N 1 2 293.323 1.370 10 5 CDBELO C[C@@H](c1c([N+](=O)[O-])cnn1[C@H]1CCCCO1)[N@H+](C)CCO ZINC000224885831 345015985 /nfs/dbraw/zinc/01/59/85/345015985.db2.gz OWTZMRVXEYEESD-CMPLNLGQSA-N 1 2 298.343 1.476 10 5 CDBELO C[C@@H](c1c([N+](=O)[O-])cnn1[C@H]1CCCCO1)[N@@H+](C)CCO ZINC000224885831 345015989 /nfs/dbraw/zinc/01/59/89/345015989.db2.gz OWTZMRVXEYEESD-CMPLNLGQSA-N 1 2 298.343 1.476 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000411914358 363374668 /nfs/dbraw/zinc/37/46/68/363374668.db2.gz PVBHZCIANXSTKX-UHFFFAOYSA-N 1 2 297.742 1.959 10 5 CDBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000286146393 356230868 /nfs/dbraw/zinc/23/08/68/356230868.db2.gz NJABLAVMNHAPCZ-LBPRGKRZSA-N 1 2 276.300 1.352 10 5 CDBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000286146393 356230870 /nfs/dbraw/zinc/23/08/70/356230870.db2.gz NJABLAVMNHAPCZ-LBPRGKRZSA-N 1 2 276.300 1.352 10 5 CDBELO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000270939380 366946690 /nfs/dbraw/zinc/94/66/90/366946690.db2.gz RHVXXKAJUFQWAL-LLVKDONJSA-N 1 2 295.364 1.853 10 5 CDBELO O=C1CCCN1[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000270939380 366946697 /nfs/dbraw/zinc/94/66/97/366946697.db2.gz RHVXXKAJUFQWAL-LLVKDONJSA-N 1 2 295.364 1.853 10 5 CDBELO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000192780799 296135781 /nfs/dbraw/zinc/13/57/81/296135781.db2.gz DAATXZHATOGPGB-SECBINFHSA-N 1 2 291.311 1.895 10 5 CDBELO Cc1ccc[nH+]c1CCNc1ncc([N+](=O)[O-])cn1 ZINC000295631751 370527240 /nfs/dbraw/zinc/52/72/40/370527240.db2.gz BHNWJTIAIOQGMI-UHFFFAOYSA-N 1 2 259.269 1.743 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364377970 390964145 /nfs/dbraw/zinc/96/41/45/390964145.db2.gz NSECDEWOUUTYHP-UHFFFAOYSA-N 1 2 290.279 1.931 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364377970 390964146 /nfs/dbraw/zinc/96/41/46/390964146.db2.gz NSECDEWOUUTYHP-UHFFFAOYSA-N 1 2 290.279 1.931 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000269385191 132163496 /nfs/dbraw/zinc/16/34/96/132163496.db2.gz TZEQUDOLNYBGMC-CYBMUJFWSA-N 1 2 295.339 1.008 10 5 CDBELO COC(=O)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358805012 158034072 /nfs/dbraw/zinc/03/40/72/158034072.db2.gz FANCUXOOYBINDS-CYBMUJFWSA-N 1 2 278.308 1.679 10 5 CDBELO CCCCNc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040595528 174348421 /nfs/dbraw/zinc/34/84/21/174348421.db2.gz KWNUJTXENYQTBL-UHFFFAOYSA-N 1 2 262.273 1.783 10 5 CDBELO Cc1c(C(=O)NCCc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000078723515 177375998 /nfs/dbraw/zinc/37/59/98/177375998.db2.gz SGNURGHISOKSRH-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO Cc1c(C(=O)NCCc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000078723515 177375999 /nfs/dbraw/zinc/37/59/99/177375999.db2.gz SGNURGHISOKSRH-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000552285950 290063571 /nfs/dbraw/zinc/06/35/71/290063571.db2.gz HAEORRSTRJFCPP-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000552285950 290063575 /nfs/dbraw/zinc/06/35/75/290063575.db2.gz HAEORRSTRJFCPP-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000575866507 317028975 /nfs/dbraw/zinc/02/89/75/317028975.db2.gz VSJBSDNMXPFUAF-VHSXEESVSA-N 1 2 279.296 1.627 10 5 CDBELO CC(C)(NC(=O)c1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000582551999 324998116 /nfs/dbraw/zinc/99/81/16/324998116.db2.gz UFWDTSLLWVSDBJ-UHFFFAOYSA-N 1 2 275.268 1.378 10 5 CDBELO CCNc1ccc(Cn2cc([N+](=O)[O-])ccc2=O)c[nH+]1 ZINC000050829098 520317461 /nfs/dbraw/zinc/31/74/61/520317461.db2.gz OUSXTPIWGHZABI-UHFFFAOYSA-N 1 2 274.280 1.632 10 5 CDBELO CNc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050792562 522611223 /nfs/dbraw/zinc/61/12/23/522611223.db2.gz OEUVLFJDTYLPMO-SNVBAGLBSA-N 1 2 265.313 1.857 10 5 CDBELO CNc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050792562 522611228 /nfs/dbraw/zinc/61/12/28/522611228.db2.gz OEUVLFJDTYLPMO-SNVBAGLBSA-N 1 2 265.313 1.857 10 5 CDBELO COC(=O)[C@@](C)([NH3+])COc1cc([N+](=O)[O-])ccc1Cl ZINC000069508048 523816617 /nfs/dbraw/zinc/81/66/17/523816617.db2.gz QNBQPXWKOZRXIX-NSHDSACASA-N 1 2 288.687 1.517 10 5 CDBELO C[C@@H]1C[NH+](Cc2ccc(N)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000050792374 524998361 /nfs/dbraw/zinc/99/83/61/524998361.db2.gz SHBZRVITAZHLDQ-NXEZZACHSA-N 1 2 265.313 1.786 10 5 CDBELO O=C1OCC[C@@H]1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754214429 576885516 /nfs/dbraw/zinc/88/55/16/576885516.db2.gz KHBYDUVGQLQUNB-JTQLQIEISA-N 1 2 291.307 1.301 10 5 CDBELO O=C1OCC[C@@H]1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754214429 576885517 /nfs/dbraw/zinc/88/55/17/576885517.db2.gz KHBYDUVGQLQUNB-JTQLQIEISA-N 1 2 291.307 1.301 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2[nH+]ccn2C)n1 ZINC001645109585 1167367440 /nfs/dbraw/zinc/36/74/40/1167367440.db2.gz LJPVUTNWLLAGKD-UHFFFAOYSA-N 1 2 289.295 1.004 10 5 CDBELO O=C(Nc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC001568610863 1169395878 /nfs/dbraw/zinc/39/58/78/1169395878.db2.gz YVBLVRKSPCFUKA-UHFFFAOYSA-N 1 2 272.224 1.218 10 5 CDBELO C[C@H](COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000813113873 1163816308 /nfs/dbraw/zinc/81/63/08/1163816308.db2.gz VQSOUJQYEVFOEH-OCCSQVGLSA-N 1 2 292.335 1.859 10 5 CDBELO C[C@H](COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[N+](=O)[O-] ZINC000813113873 1163816310 /nfs/dbraw/zinc/81/63/10/1163816310.db2.gz VQSOUJQYEVFOEH-OCCSQVGLSA-N 1 2 292.335 1.859 10 5 CDBELO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814036080 1164023701 /nfs/dbraw/zinc/02/37/01/1164023701.db2.gz GHIRSMHLENCYIS-WCQYABFASA-N 1 2 280.324 1.888 10 5 CDBELO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814036080 1164023710 /nfs/dbraw/zinc/02/37/10/1164023710.db2.gz GHIRSMHLENCYIS-WCQYABFASA-N 1 2 280.324 1.888 10 5 CDBELO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844748391 712044365 /nfs/dbraw/zinc/04/43/65/712044365.db2.gz RUDBYTLDEQSHGV-SNVBAGLBSA-N 1 2 272.255 1.870 10 5 CDBELO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844748391 712044366 /nfs/dbraw/zinc/04/43/66/712044366.db2.gz RUDBYTLDEQSHGV-SNVBAGLBSA-N 1 2 272.255 1.870 10 5 CDBELO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NC ZINC000872077642 712417049 /nfs/dbraw/zinc/41/70/49/712417049.db2.gz KNVBYJYLOMAZMM-WPRPVWTQSA-N 1 2 283.303 1.909 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])o1 ZINC000857992425 712692394 /nfs/dbraw/zinc/69/23/94/712692394.db2.gz YCCFJVDSNZHKHA-ZETCQYMHSA-N 1 2 262.225 1.259 10 5 CDBELO C[C@@]12COC[C@]1(C)C[N@@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000853543221 928041896 /nfs/dbraw/zinc/04/18/96/928041896.db2.gz QSSILRGWUDGPCK-TXEJJXNPSA-N 1 2 266.301 1.107 10 5 CDBELO C[C@@]12COC[C@]1(C)C[N@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000853543221 928041909 /nfs/dbraw/zinc/04/19/09/928041909.db2.gz QSSILRGWUDGPCK-TXEJJXNPSA-N 1 2 266.301 1.107 10 5 CDBELO CC[C@@](C)(C(=O)OC)[N@H+](CC[N+](=O)[O-])CC1CC1 ZINC000930759634 933445272 /nfs/dbraw/zinc/44/52/72/933445272.db2.gz CGQOGQOIPNJQRQ-LBPRGKRZSA-N 1 2 258.318 1.317 10 5 CDBELO CC[C@@](C)(C(=O)OC)[N@@H+](CC[N+](=O)[O-])CC1CC1 ZINC000930759634 933445282 /nfs/dbraw/zinc/44/52/82/933445282.db2.gz CGQOGQOIPNJQRQ-LBPRGKRZSA-N 1 2 258.318 1.317 10 5 CDBELO Cn1cnc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601148485 342482133 /nfs/dbraw/zinc/48/21/33/342482133.db2.gz CIBBMYTXYSAIEE-CQSZACIVSA-N 1 2 290.323 1.326 10 5 CDBELO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590875291 342602395 /nfs/dbraw/zinc/60/23/95/342602395.db2.gz FHCQIIPCRWISFH-SECBINFHSA-N 1 2 289.295 1.697 10 5 CDBELO COCc1n[nH]c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000594970199 342991987 /nfs/dbraw/zinc/99/19/87/342991987.db2.gz VEOQDGHDUNLJLC-UHFFFAOYSA-N 1 2 291.311 1.458 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756029 343142109 /nfs/dbraw/zinc/14/21/09/343142109.db2.gz BUKRTYURNKLKMC-GXFFZTMASA-N 1 2 264.281 1.257 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756029 343142112 /nfs/dbraw/zinc/14/21/12/343142112.db2.gz BUKRTYURNKLKMC-GXFFZTMASA-N 1 2 264.281 1.257 10 5 CDBELO Cc1ccc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)c[nH+]1 ZINC000535046223 282230711 /nfs/dbraw/zinc/23/07/11/282230711.db2.gz CEDCNQZVWKGNCB-UHFFFAOYSA-N 1 2 298.306 1.417 10 5 CDBELO CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@H+](C)C1 ZINC000597946940 343676305 /nfs/dbraw/zinc/67/63/05/343676305.db2.gz SSXAABMZSLIQRX-NSHDSACASA-N 1 2 293.323 1.467 10 5 CDBELO CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@@H+](C)C1 ZINC000597946940 343676306 /nfs/dbraw/zinc/67/63/06/343676306.db2.gz SSXAABMZSLIQRX-NSHDSACASA-N 1 2 293.323 1.467 10 5 CDBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCS(=O)CC1 ZINC000599040998 343943545 /nfs/dbraw/zinc/94/35/45/343943545.db2.gz POTFVPGNQMJSQW-UHFFFAOYSA-N 1 2 291.332 1.712 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[NH+]2CCN1CC2 ZINC000120510965 362257585 /nfs/dbraw/zinc/25/75/85/362257585.db2.gz CIEZKERUMKOTKZ-LBPRGKRZSA-N 1 2 276.340 1.315 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000599160811 343970881 /nfs/dbraw/zinc/97/08/81/343970881.db2.gz ONIBZXDBQRLVLW-JTQLQIEISA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000599160811 343970882 /nfs/dbraw/zinc/97/08/82/343970882.db2.gz ONIBZXDBQRLVLW-JTQLQIEISA-N 1 2 269.276 1.476 10 5 CDBELO Cc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)no1 ZINC000159742823 362508891 /nfs/dbraw/zinc/50/88/91/362508891.db2.gz TVFFCKNYEACTKQ-UHFFFAOYSA-N 1 2 292.295 1.185 10 5 CDBELO Cc1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)no1 ZINC000159742823 362508895 /nfs/dbraw/zinc/50/88/95/362508895.db2.gz TVFFCKNYEACTKQ-UHFFFAOYSA-N 1 2 292.295 1.185 10 5 CDBELO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000293165456 362534020 /nfs/dbraw/zinc/53/40/20/362534020.db2.gz VXPQADZXKIEYJJ-VHSXEESVSA-N 1 2 293.323 1.882 10 5 CDBELO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000293165456 362534022 /nfs/dbraw/zinc/53/40/22/362534022.db2.gz VXPQADZXKIEYJJ-VHSXEESVSA-N 1 2 293.323 1.882 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000194495176 358374860 /nfs/dbraw/zinc/37/48/60/358374860.db2.gz SBETVZVWFWRCLT-UHFFFAOYSA-N 1 2 289.335 1.823 10 5 CDBELO O=[N+]([O-])c1cnccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000340153132 359579400 /nfs/dbraw/zinc/57/94/00/359579400.db2.gz OJTCTCHZJOZDRF-UHFFFAOYSA-N 1 2 299.334 1.888 10 5 CDBELO O=[N+]([O-])c1ccc(C2=[N+](O)[C@H]3CCCC[C@@H]3[N+]([O-])=C2)cc1 ZINC000225405032 374299741 /nfs/dbraw/zinc/29/97/41/374299741.db2.gz IHKVUPKKDOPRNE-STQMWFEESA-N 1 2 291.307 1.583 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000331172953 374900230 /nfs/dbraw/zinc/90/02/30/374900230.db2.gz IVZHSVCNHORNGB-JTQLQIEISA-N 1 2 266.297 1.505 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000331172953 374900234 /nfs/dbraw/zinc/90/02/34/374900234.db2.gz IVZHSVCNHORNGB-JTQLQIEISA-N 1 2 266.297 1.505 10 5 CDBELO Cc1cc(C)c(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000330535308 374862736 /nfs/dbraw/zinc/86/27/36/374862736.db2.gz JFMKLJOGMPFLFT-UHFFFAOYSA-N 1 2 289.295 1.901 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282335799 375080578 /nfs/dbraw/zinc/08/05/78/375080578.db2.gz VAXWNGBSKSPIBS-MFKMUULPSA-N 1 2 298.364 1.775 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282335799 375080581 /nfs/dbraw/zinc/08/05/81/375080581.db2.gz VAXWNGBSKSPIBS-MFKMUULPSA-N 1 2 298.364 1.775 10 5 CDBELO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000330443733 297030275 /nfs/dbraw/zinc/03/02/75/297030275.db2.gz BPFHOXOGNBJCHJ-MNOVXSKESA-N 1 2 279.340 1.825 10 5 CDBELO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330443733 297030277 /nfs/dbraw/zinc/03/02/77/297030277.db2.gz BPFHOXOGNBJCHJ-MNOVXSKESA-N 1 2 279.340 1.825 10 5 CDBELO COc1cccc([N+](=O)[O-])c1N1CCn2c[nH+]cc2C1 ZINC000583153896 325118862 /nfs/dbraw/zinc/11/88/62/325118862.db2.gz UYSPIUHMRPUOIE-UHFFFAOYSA-N 1 2 274.280 1.820 10 5 CDBELO CC[N@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816523 520299740 /nfs/dbraw/zinc/29/97/40/520299740.db2.gz HXPUKMDXFLWZNG-UHFFFAOYSA-N 1 2 280.328 1.087 10 5 CDBELO CC[N@@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816523 520299751 /nfs/dbraw/zinc/29/97/51/520299751.db2.gz HXPUKMDXFLWZNG-UHFFFAOYSA-N 1 2 280.328 1.087 10 5 CDBELO Cc1c(NCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000062723682 525870132 /nfs/dbraw/zinc/87/01/32/525870132.db2.gz PQWWCGIWTDARNH-UHFFFAOYSA-N 1 2 265.313 1.647 10 5 CDBELO O=C(C[N@H+]1CCCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000049136175 526744040 /nfs/dbraw/zinc/74/40/40/526744040.db2.gz CWRKNHPRPDYYMW-ZDUSSCGKSA-N 1 2 278.308 1.624 10 5 CDBELO O=C(C[N@@H+]1CCCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000049136175 526744048 /nfs/dbraw/zinc/74/40/48/526744048.db2.gz CWRKNHPRPDYYMW-ZDUSSCGKSA-N 1 2 278.308 1.624 10 5 CDBELO O=C(C[N@H+]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000049136711 526756697 /nfs/dbraw/zinc/75/66/97/526756697.db2.gz QVAWLMNCAPBSPV-LBPRGKRZSA-N 1 2 264.281 1.234 10 5 CDBELO O=C(C[N@@H+]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000049136711 526756702 /nfs/dbraw/zinc/75/67/02/526756702.db2.gz QVAWLMNCAPBSPV-LBPRGKRZSA-N 1 2 264.281 1.234 10 5 CDBELO Nc1ccc(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c[nH+]1 ZINC000050829492 527486969 /nfs/dbraw/zinc/48/69/69/527486969.db2.gz YWUHLQRTVVYAMW-UHFFFAOYSA-N 1 2 286.247 1.528 10 5 CDBELO C[N@@H+](Cc1cc[nH]n1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750065880 576974514 /nfs/dbraw/zinc/97/45/14/576974514.db2.gz FBHLZBNTFFMXFM-CYBMUJFWSA-N 1 2 276.296 1.483 10 5 CDBELO C[N@H+](Cc1cc[nH]n1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750065880 576974516 /nfs/dbraw/zinc/97/45/16/576974516.db2.gz FBHLZBNTFFMXFM-CYBMUJFWSA-N 1 2 276.296 1.483 10 5 CDBELO Cn1c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898485400 621755833 /nfs/dbraw/zinc/75/58/33/621755833.db2.gz IIBNZBADNKGLJP-SNVBAGLBSA-N 1 2 298.318 1.097 10 5 CDBELO Cn1c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898485400 621755838 /nfs/dbraw/zinc/75/58/38/621755838.db2.gz IIBNZBADNKGLJP-SNVBAGLBSA-N 1 2 298.318 1.097 10 5 CDBELO Cc1nocc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654503058 1171615964 /nfs/dbraw/zinc/61/59/64/1171615964.db2.gz HFOAOAKLNRICKU-CQSZACIVSA-N 1 2 291.307 1.889 10 5 CDBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cncnc3)CC2)cc1 ZINC000179534419 898073535 /nfs/dbraw/zinc/07/35/35/898073535.db2.gz FPELSYIEFAETJH-UHFFFAOYSA-N 1 2 299.334 1.707 10 5 CDBELO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000922641454 921723397 /nfs/dbraw/zinc/72/33/97/921723397.db2.gz LPYWSZVIIPCJPA-LDYMZIIASA-N 1 2 252.270 1.425 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000852537874 927809268 /nfs/dbraw/zinc/80/92/68/927809268.db2.gz OQGDUASFCRRFRU-GXFFZTMASA-N 1 2 293.279 1.460 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000852537874 927809278 /nfs/dbraw/zinc/80/92/78/927809278.db2.gz OQGDUASFCRRFRU-GXFFZTMASA-N 1 2 293.279 1.460 10 5 CDBELO C[S@@](=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000828499060 928716940 /nfs/dbraw/zinc/71/69/40/928716940.db2.gz MSQBFOOMIGHMMO-GOSISDBHSA-N 1 2 268.338 1.331 10 5 CDBELO C[S@@](=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000828499060 928716953 /nfs/dbraw/zinc/71/69/53/928716953.db2.gz MSQBFOOMIGHMMO-GOSISDBHSA-N 1 2 268.338 1.331 10 5 CDBELO Cn1[nH]c(=O)c2c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000931198870 933516260 /nfs/dbraw/zinc/51/62/60/933516260.db2.gz ZDBWSEQPNMOCBH-UHFFFAOYSA-N 1 2 288.307 1.592 10 5 CDBELO Cn1[nH]c(=O)c2c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000931198870 933516274 /nfs/dbraw/zinc/51/62/74/933516274.db2.gz ZDBWSEQPNMOCBH-UHFFFAOYSA-N 1 2 288.307 1.592 10 5 CDBELO Cc1[nH]c(CNc2c([N+](=O)[O-])ncn2C)[nH+]c1C ZINC001559284561 965426650 /nfs/dbraw/zinc/42/66/50/965426650.db2.gz IUEKFWKVWARFJA-UHFFFAOYSA-N 1 2 250.262 1.280 10 5 CDBELO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1c(C)c[nH+]cc1C ZINC001537891099 969666813 /nfs/dbraw/zinc/66/68/13/969666813.db2.gz BMHFIZTUDPFFKJ-UHFFFAOYSA-N 1 2 289.295 1.172 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000611615925 346837159 /nfs/dbraw/zinc/83/71/59/346837159.db2.gz IQQKNFRZCFLZPF-LBPRGKRZSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000611615925 346837166 /nfs/dbraw/zinc/83/71/66/346837166.db2.gz IQQKNFRZCFLZPF-LBPRGKRZSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1cc(NC[C@@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000599159670 343970565 /nfs/dbraw/zinc/97/05/65/343970565.db2.gz BKGUHBAFHVVOLH-GFCCVEGCSA-N 1 2 265.313 1.646 10 5 CDBELO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000599159670 343970568 /nfs/dbraw/zinc/97/05/68/343970568.db2.gz BKGUHBAFHVVOLH-GFCCVEGCSA-N 1 2 265.313 1.646 10 5 CDBELO CC[NH+]1CCN(C(=O)c2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC000085684550 179115352 /nfs/dbraw/zinc/11/53/52/179115352.db2.gz WCBZUQLAVQQCOY-UHFFFAOYSA-N 1 2 298.730 1.421 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000110489877 186298708 /nfs/dbraw/zinc/29/87/08/186298708.db2.gz PGHDLUKFJSIIAC-MRVPVSSYSA-N 1 2 297.340 1.047 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000110489877 186298709 /nfs/dbraw/zinc/29/87/09/186298709.db2.gz PGHDLUKFJSIIAC-MRVPVSSYSA-N 1 2 297.340 1.047 10 5 CDBELO CC(C)[N@H+](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155941111 188236518 /nfs/dbraw/zinc/23/65/18/188236518.db2.gz ROUQDRAHWAEZKE-UHFFFAOYSA-N 1 2 267.285 1.579 10 5 CDBELO CC(C)[N@@H+](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155941111 188236519 /nfs/dbraw/zinc/23/65/19/188236519.db2.gz ROUQDRAHWAEZKE-UHFFFAOYSA-N 1 2 267.285 1.579 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282227632 239117087 /nfs/dbraw/zinc/11/70/87/239117087.db2.gz PFNVEFCVWPGGKV-MNOVXSKESA-N 1 2 277.324 1.818 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282227632 239117090 /nfs/dbraw/zinc/11/70/90/239117090.db2.gz PFNVEFCVWPGGKV-MNOVXSKESA-N 1 2 277.324 1.818 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000121698168 368156517 /nfs/dbraw/zinc/15/65/17/368156517.db2.gz GLAVEGVAQKZIRU-SECBINFHSA-N 1 2 287.266 1.616 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000121698168 368156520 /nfs/dbraw/zinc/15/65/20/368156520.db2.gz GLAVEGVAQKZIRU-SECBINFHSA-N 1 2 287.266 1.616 10 5 CDBELO Cn1c[nH+]cc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000388395205 374673476 /nfs/dbraw/zinc/67/34/76/374673476.db2.gz HIHJRGBWEHZBNP-UHFFFAOYSA-N 1 2 283.291 1.911 10 5 CDBELO C[C@H](O)CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599027636 390321070 /nfs/dbraw/zinc/32/10/70/390321070.db2.gz OGJHMMXIUPKEMA-VIFPVBQESA-N 1 2 261.281 1.960 10 5 CDBELO C[C@@H](O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412072826 391112830 /nfs/dbraw/zinc/11/28/30/391112830.db2.gz LPJUHRIFVZHKGB-ZWNOBZJWSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@@H](O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412072826 391112833 /nfs/dbraw/zinc/11/28/33/391112833.db2.gz LPJUHRIFVZHKGB-ZWNOBZJWSA-N 1 2 266.297 1.176 10 5 CDBELO CC[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000189855568 130031086 /nfs/dbraw/zinc/03/10/86/130031086.db2.gz XEZNCUAPILRUKK-JOYOIKCWSA-N 1 2 290.327 1.920 10 5 CDBELO CNC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000412051491 391852155 /nfs/dbraw/zinc/85/21/55/391852155.db2.gz CHPBCVGCFMKEJC-UHFFFAOYSA-N 1 2 298.368 1.550 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000399907658 270376021 /nfs/dbraw/zinc/37/60/21/270376021.db2.gz MMEFIARVEOQDSM-LLVKDONJSA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000399907658 270376023 /nfs/dbraw/zinc/37/60/23/270376023.db2.gz MMEFIARVEOQDSM-LLVKDONJSA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368822041 280365355 /nfs/dbraw/zinc/36/53/55/280365355.db2.gz DKROUEQIQDIXOG-CYBMUJFWSA-N 1 2 295.314 1.250 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368822041 280365356 /nfs/dbraw/zinc/36/53/56/280365356.db2.gz DKROUEQIQDIXOG-CYBMUJFWSA-N 1 2 295.314 1.250 10 5 CDBELO CCOC(=O)[C@H](CCOc1cccc(C)c1[N+](=O)[O-])[NH2+]C ZINC000062540751 521246689 /nfs/dbraw/zinc/24/66/89/521246689.db2.gz MMUNTVVKRNCBDE-NSHDSACASA-N 1 2 296.323 1.823 10 5 CDBELO CNc1cc(C(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000050725152 522550723 /nfs/dbraw/zinc/55/07/23/522550723.db2.gz YIKNUSYZSJSTIT-UHFFFAOYSA-N 1 2 296.302 1.163 10 5 CDBELO O=C(Cc1[nH]cc[nH+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001630559452 1166215183 /nfs/dbraw/zinc/21/51/83/1166215183.db2.gz DVDINBACOBYGAY-UHFFFAOYSA-N 1 2 294.698 1.830 10 5 CDBELO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001193485881 923726073 /nfs/dbraw/zinc/72/60/73/923726073.db2.gz VVQKWYOTXISVOY-JLLWLGSASA-N 1 2 290.323 1.076 10 5 CDBELO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001193485881 923726085 /nfs/dbraw/zinc/72/60/85/923726085.db2.gz VVQKWYOTXISVOY-JLLWLGSASA-N 1 2 290.323 1.076 10 5 CDBELO Cc1cncc([N+](=O)[O-])c1NCCc1cn(C)c[nH+]1 ZINC001325272613 953809253 /nfs/dbraw/zinc/80/92/53/953809253.db2.gz ACTVCCHRNXMVMT-UHFFFAOYSA-N 1 2 261.285 1.108 10 5 CDBELO Cc1cc(C)[nH+]c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC001559377261 960748943 /nfs/dbraw/zinc/74/89/43/960748943.db2.gz IJVUSIXXTZBELC-UHFFFAOYSA-N 1 2 259.265 1.817 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001468694717 970186635 /nfs/dbraw/zinc/18/66/35/970186635.db2.gz RACOURBHJKHKOQ-JTQLQIEISA-N 1 2 264.285 1.210 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001468694717 970186637 /nfs/dbraw/zinc/18/66/37/970186637.db2.gz RACOURBHJKHKOQ-JTQLQIEISA-N 1 2 264.285 1.210 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599082404 343957634 /nfs/dbraw/zinc/95/76/34/343957634.db2.gz BNEDIGMNTSXQPA-QWRGUYRKSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599082404 343957636 /nfs/dbraw/zinc/95/76/36/343957636.db2.gz BNEDIGMNTSXQPA-QWRGUYRKSA-N 1 2 293.323 1.232 10 5 CDBELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609623195 345981129 /nfs/dbraw/zinc/98/11/29/345981129.db2.gz SNGBPDGONYAPAO-UHFFFAOYSA-N 1 2 271.236 1.823 10 5 CDBELO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000236321563 363096371 /nfs/dbraw/zinc/09/63/71/363096371.db2.gz NWILWLJTDJGXKT-IUCAKERBSA-N 1 2 279.296 1.756 10 5 CDBELO CCOC(=O)C(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000121568214 366151213 /nfs/dbraw/zinc/15/12/13/366151213.db2.gz PLUIOPWNJJMQBR-UHFFFAOYSA-N 1 2 296.323 1.905 10 5 CDBELO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000330606795 203029163 /nfs/dbraw/zinc/02/91/63/203029163.db2.gz JCWCRZZATJVWHZ-GFCCVEGCSA-N 1 2 298.364 1.461 10 5 CDBELO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000330606795 203029165 /nfs/dbraw/zinc/02/91/65/203029165.db2.gz JCWCRZZATJVWHZ-GFCCVEGCSA-N 1 2 298.364 1.461 10 5 CDBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])o1 ZINC000371443268 284117950 /nfs/dbraw/zinc/11/79/50/284117950.db2.gz OYEAAEJNBOBNRI-SSDOTTSWSA-N 1 2 276.252 1.198 10 5 CDBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])o1 ZINC000371443268 284117951 /nfs/dbraw/zinc/11/79/51/284117951.db2.gz OYEAAEJNBOBNRI-SSDOTTSWSA-N 1 2 276.252 1.198 10 5 CDBELO COc1cc[nH+]c(Cn2cc([N+](=O)[O-])c(C)n2)c1OC ZINC000295459868 370296869 /nfs/dbraw/zinc/29/68/69/370296869.db2.gz XCZRMBMPXVCSID-UHFFFAOYSA-N 1 2 278.268 1.560 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434505777 248113492 /nfs/dbraw/zinc/11/34/92/248113492.db2.gz RKQPKAQGVSLWAF-UHFFFAOYSA-N 1 2 289.295 1.666 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434505777 248113495 /nfs/dbraw/zinc/11/34/95/248113495.db2.gz RKQPKAQGVSLWAF-UHFFFAOYSA-N 1 2 289.295 1.666 10 5 CDBELO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449420709 250853844 /nfs/dbraw/zinc/85/38/44/250853844.db2.gz KBZTZCWXTCOTGQ-ZWNOBZJWSA-N 1 2 280.324 1.893 10 5 CDBELO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449420709 250853848 /nfs/dbraw/zinc/85/38/48/250853848.db2.gz KBZTZCWXTCOTGQ-ZWNOBZJWSA-N 1 2 280.324 1.893 10 5 CDBELO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000490099161 253029839 /nfs/dbraw/zinc/02/98/39/253029839.db2.gz ORVVFDYUWVAHLW-CYBMUJFWSA-N 1 2 298.314 1.971 10 5 CDBELO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000490099161 253029840 /nfs/dbraw/zinc/02/98/40/253029840.db2.gz ORVVFDYUWVAHLW-CYBMUJFWSA-N 1 2 298.314 1.971 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000339098681 390682714 /nfs/dbraw/zinc/68/27/14/390682714.db2.gz DHBITBFTGFNLSQ-RNCFNFMXSA-N 1 2 293.323 1.386 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000339098681 390682717 /nfs/dbraw/zinc/68/27/17/390682717.db2.gz DHBITBFTGFNLSQ-RNCFNFMXSA-N 1 2 293.323 1.386 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195323460 140154947 /nfs/dbraw/zinc/15/49/47/140154947.db2.gz WDWAKQCKVYKZLL-NSHDSACASA-N 1 2 291.307 1.221 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195323460 140154948 /nfs/dbraw/zinc/15/49/48/140154948.db2.gz WDWAKQCKVYKZLL-NSHDSACASA-N 1 2 291.307 1.221 10 5 CDBELO C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000217316076 140162920 /nfs/dbraw/zinc/16/29/20/140162920.db2.gz BFUKRPUCENMSMX-VHSXEESVSA-N 1 2 293.323 1.513 10 5 CDBELO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093343983 147047667 /nfs/dbraw/zinc/04/76/67/147047667.db2.gz VMPRZSWUXCOXPI-MFKMUULPSA-N 1 2 293.323 1.236 10 5 CDBELO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093343983 147047673 /nfs/dbraw/zinc/04/76/73/147047673.db2.gz VMPRZSWUXCOXPI-MFKMUULPSA-N 1 2 293.323 1.236 10 5 CDBELO COc1cc(C[N@@H+]2CCSC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000343762167 152293713 /nfs/dbraw/zinc/29/37/13/152293713.db2.gz KTAKKHVTXOCXRP-NSHDSACASA-N 1 2 298.364 1.513 10 5 CDBELO COc1cc(C[N@H+]2CCSC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000343762167 152293715 /nfs/dbraw/zinc/29/37/15/152293715.db2.gz KTAKKHVTXOCXRP-NSHDSACASA-N 1 2 298.364 1.513 10 5 CDBELO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1[NH+]1CCOCC1 ZINC000192481180 278815385 /nfs/dbraw/zinc/81/53/85/278815385.db2.gz ZQMABONJXUSBGU-ZJUUUORDSA-N 1 2 298.368 1.208 10 5 CDBELO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000432169023 288255436 /nfs/dbraw/zinc/25/54/36/288255436.db2.gz INXZDINSIQKWGE-SNVBAGLBSA-N 1 2 299.758 1.751 10 5 CDBELO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000432169023 288255437 /nfs/dbraw/zinc/25/54/37/288255437.db2.gz INXZDINSIQKWGE-SNVBAGLBSA-N 1 2 299.758 1.751 10 5 CDBELO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000193456681 295356742 /nfs/dbraw/zinc/35/67/42/295356742.db2.gz QWQCBRBBHDOJLY-LBPRGKRZSA-N 1 2 292.339 1.088 10 5 CDBELO CC1(C)COCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817623 520504514 /nfs/dbraw/zinc/50/45/14/520504514.db2.gz ZXDQADCDJIUKOH-UHFFFAOYSA-N 1 2 265.313 1.788 10 5 CDBELO CC1(C)COCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817623 520504520 /nfs/dbraw/zinc/50/45/20/520504520.db2.gz ZXDQADCDJIUKOH-UHFFFAOYSA-N 1 2 265.313 1.788 10 5 CDBELO CNc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792563 522610000 /nfs/dbraw/zinc/61/00/00/522610000.db2.gz OEUVLFJDTYLPMO-JTQLQIEISA-N 1 2 265.313 1.857 10 5 CDBELO CNc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792563 522610007 /nfs/dbraw/zinc/61/00/07/522610007.db2.gz OEUVLFJDTYLPMO-JTQLQIEISA-N 1 2 265.313 1.857 10 5 CDBELO CNc1ccc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2)c1 ZINC000050791422 522641689 /nfs/dbraw/zinc/64/16/89/522641689.db2.gz ZQOMBKRMSQEPMI-UHFFFAOYSA-N 1 2 289.295 1.263 10 5 CDBELO Nc1[nH+]c2ccccc2cc1Cn1ccc([N+](=O)[O-])n1 ZINC000050829968 527562867 /nfs/dbraw/zinc/56/28/67/527562867.db2.gz AGNGGVBKCBIMQK-UHFFFAOYSA-N 1 2 269.264 1.970 10 5 CDBELO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2CC[N+](=O)[O-] ZINC000931011691 678299205 /nfs/dbraw/zinc/29/92/05/678299205.db2.gz MPRJHVSYUHDOHO-UHFFFAOYSA-N 1 2 285.344 1.252 10 5 CDBELO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2CC[N+](=O)[O-] ZINC000931011691 678299220 /nfs/dbraw/zinc/29/92/20/678299220.db2.gz MPRJHVSYUHDOHO-UHFFFAOYSA-N 1 2 285.344 1.252 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000844755807 678457259 /nfs/dbraw/zinc/45/72/59/678457259.db2.gz HJQZROUZMSSYNY-VIFPVBQESA-N 1 2 258.228 1.480 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000844755807 678457261 /nfs/dbraw/zinc/45/72/61/678457261.db2.gz HJQZROUZMSSYNY-VIFPVBQESA-N 1 2 258.228 1.480 10 5 CDBELO COC(=O)C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000905712362 626936421 /nfs/dbraw/zinc/93/64/21/626936421.db2.gz PBQXPEKODPPLCT-MWLCHTKSSA-N 1 2 296.327 1.188 10 5 CDBELO COC(=O)C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000905712362 626936422 /nfs/dbraw/zinc/93/64/22/626936422.db2.gz PBQXPEKODPPLCT-MWLCHTKSSA-N 1 2 296.327 1.188 10 5 CDBELO CC(C)OC[C@H]([NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000854158635 678137157 /nfs/dbraw/zinc/13/71/57/678137157.db2.gz YYSARINFVFNAQD-VIFPVBQESA-N 1 2 286.332 1.482 10 5 CDBELO Cn1c(C(=O)O[C@H]2CC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802237761 679050737 /nfs/dbraw/zinc/05/07/37/679050737.db2.gz ADZDQMIQTKQNOO-VIFPVBQESA-N 1 2 285.275 1.134 10 5 CDBELO Cn1c(C(=O)O[C@H]2CC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802237761 679050738 /nfs/dbraw/zinc/05/07/38/679050738.db2.gz ADZDQMIQTKQNOO-VIFPVBQESA-N 1 2 285.275 1.134 10 5 CDBELO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986969 679376295 /nfs/dbraw/zinc/37/62/95/679376295.db2.gz QHDYLHTVENLVKX-GFCCVEGCSA-N 1 2 286.291 1.595 10 5 CDBELO Cc1ccc(C[NH2+][C@H](C)c2cnn(C)n2)cc1[N+](=O)[O-] ZINC000926794768 679482316 /nfs/dbraw/zinc/48/23/16/679482316.db2.gz DUXVOUMZCVGRDS-SNVBAGLBSA-N 1 2 275.312 1.883 10 5 CDBELO Cc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857991203 679589099 /nfs/dbraw/zinc/58/90/99/679589099.db2.gz VSWQTLIKKIMICL-NSHDSACASA-N 1 2 286.291 1.975 10 5 CDBELO Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC001648982657 1160552399 /nfs/dbraw/zinc/55/23/99/1160552399.db2.gz DOPNCYMDQNDIOY-UHFFFAOYSA-N 1 2 274.280 1.485 10 5 CDBELO Cn1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001648593995 1169140801 /nfs/dbraw/zinc/14/08/01/1169140801.db2.gz HVYBCSWZCYFVCO-CQSZACIVSA-N 1 2 290.323 1.494 10 5 CDBELO Cn1ccc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001648593995 1169140802 /nfs/dbraw/zinc/14/08/02/1169140802.db2.gz HVYBCSWZCYFVCO-CQSZACIVSA-N 1 2 290.323 1.494 10 5 CDBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCn1cc[nH+]c1 ZINC001595685350 1174211686 /nfs/dbraw/zinc/21/16/86/1174211686.db2.gz WDKQPYRDBOJOLK-UHFFFAOYSA-N 1 2 292.270 1.289 10 5 CDBELO CC(C)(CCC(=O)N1CCC(n2cc[nH+]c2)CC1)[N+](=O)[O-] ZINC001631676769 1166295920 /nfs/dbraw/zinc/29/59/20/1166295920.db2.gz XAAIYUYVSMSMOW-UHFFFAOYSA-N 1 2 294.355 1.882 10 5 CDBELO Cc1c(CNC(=O)Cc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC001556205188 965010504 /nfs/dbraw/zinc/01/05/04/965010504.db2.gz SLWPPZVNDQBIJW-UHFFFAOYSA-N 1 2 274.280 1.485 10 5 CDBELO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000234333382 342043999 /nfs/dbraw/zinc/04/39/99/342043999.db2.gz VZGMPDDWVBGDLD-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO COCC[NH+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000047265239 342097802 /nfs/dbraw/zinc/09/78/02/342097802.db2.gz SBZQHWUZPFUPEW-UHFFFAOYSA-N 1 2 274.342 1.751 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000593922084 342851916 /nfs/dbraw/zinc/85/19/16/342851916.db2.gz AKYSPALMJPNKJN-QWRGUYRKSA-N 1 2 291.307 1.770 10 5 CDBELO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000593924436 342852166 /nfs/dbraw/zinc/85/21/66/342852166.db2.gz GTZHWFAYBUVQGC-WCBMZHEXSA-N 1 2 279.296 1.756 10 5 CDBELO COC[C@@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599041885 343943647 /nfs/dbraw/zinc/94/36/47/343943647.db2.gz DBBDDOJGOQKZMT-AWEZNQCLSA-N 1 2 291.307 1.952 10 5 CDBELO CN1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599042467 343944123 /nfs/dbraw/zinc/94/41/23/343944123.db2.gz SMDLKEVKEGMWDK-JTQLQIEISA-N 1 2 286.291 1.786 10 5 CDBELO COc1ccc([N+](=O)[O-])c(NC[C@H]2COCC[N@@H+]2C)c1 ZINC000599160944 343971135 /nfs/dbraw/zinc/97/11/35/343971135.db2.gz MGDWXSICHOZHBX-JTQLQIEISA-N 1 2 281.312 1.346 10 5 CDBELO COc1ccc([N+](=O)[O-])c(NC[C@H]2COCC[N@H+]2C)c1 ZINC000599160944 343971137 /nfs/dbraw/zinc/97/11/37/343971137.db2.gz MGDWXSICHOZHBX-JTQLQIEISA-N 1 2 281.312 1.346 10 5 CDBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000599080947 343957060 /nfs/dbraw/zinc/95/70/60/343957060.db2.gz LSFHHDGETNWVSJ-ITGUQSILSA-N 1 2 285.303 1.818 10 5 CDBELO O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]C2 ZINC000601937962 344287175 /nfs/dbraw/zinc/28/71/75/344287175.db2.gz DPYSBRKUDBPPTA-MRVPVSSYSA-N 1 2 294.698 1.560 10 5 CDBELO O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1F)CC[NH2+]C2 ZINC000601942630 344289138 /nfs/dbraw/zinc/28/91/38/344289138.db2.gz LREXFYHQEMRBJI-MRVPVSSYSA-N 1 2 278.243 1.046 10 5 CDBELO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)on1 ZINC000602713324 344553454 /nfs/dbraw/zinc/55/34/54/344553454.db2.gz KNDIICJBQQDBQL-UHFFFAOYSA-N 1 2 263.253 1.881 10 5 CDBELO O=[N+]([O-])c1sccc1N1CC[NH+](C2CC2)CC1 ZINC000604472658 344893761 /nfs/dbraw/zinc/89/37/61/344893761.db2.gz ABSCZMWLXNTUKL-UHFFFAOYSA-N 1 2 253.327 1.941 10 5 CDBELO O=[N+]([O-])c1ccsc1N1CC[NH+](C2CC2)CC1 ZINC000611412254 346780082 /nfs/dbraw/zinc/78/00/82/346780082.db2.gz HTYDABNTTVJWOE-UHFFFAOYSA-N 1 2 253.327 1.941 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108945742 186237450 /nfs/dbraw/zinc/23/74/50/186237450.db2.gz FODRNEBLMVEERW-JTQLQIEISA-N 1 2 285.731 1.991 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108945742 186237451 /nfs/dbraw/zinc/23/74/51/186237451.db2.gz FODRNEBLMVEERW-JTQLQIEISA-N 1 2 285.731 1.991 10 5 CDBELO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1C ZINC000065494080 363290501 /nfs/dbraw/zinc/29/05/01/363290501.db2.gz PKIPUXAMPBCZMY-PWSUYJOCSA-N 1 2 293.323 1.331 10 5 CDBELO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235107408 359758054 /nfs/dbraw/zinc/75/80/54/359758054.db2.gz SRRKUNVLXHDCAG-VIFPVBQESA-N 1 2 281.312 1.370 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(Cc2[nH+]ccn2C(F)F)c1=O ZINC000178227845 189099611 /nfs/dbraw/zinc/09/96/11/189099611.db2.gz FRAFJHOXUVAPCB-UHFFFAOYSA-N 1 2 284.222 1.705 10 5 CDBELO C[C@@H](C[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000049509319 364042460 /nfs/dbraw/zinc/04/24/60/364042460.db2.gz HESFPQUTMJJNPB-JTQLQIEISA-N 1 2 266.301 1.122 10 5 CDBELO CN1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000191129999 373454700 /nfs/dbraw/zinc/45/47/00/373454700.db2.gz MOYOOVQRVOZMRA-UHFFFAOYSA-N 1 2 293.323 1.138 10 5 CDBELO CN1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000191129999 373454704 /nfs/dbraw/zinc/45/47/04/373454704.db2.gz MOYOOVQRVOZMRA-UHFFFAOYSA-N 1 2 293.323 1.138 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000368812939 374330459 /nfs/dbraw/zinc/33/04/59/374330459.db2.gz ASMUPEORKKHBOQ-CQSZACIVSA-N 1 2 277.324 1.111 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000368812939 374330466 /nfs/dbraw/zinc/33/04/66/374330466.db2.gz ASMUPEORKKHBOQ-CQSZACIVSA-N 1 2 277.324 1.111 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371817709 374424260 /nfs/dbraw/zinc/42/42/60/374424260.db2.gz XOXJWTZFBIZUCT-CYBMUJFWSA-N 1 2 277.324 1.111 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371817709 374424264 /nfs/dbraw/zinc/42/42/64/374424264.db2.gz XOXJWTZFBIZUCT-CYBMUJFWSA-N 1 2 277.324 1.111 10 5 CDBELO CC(C)[NH+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280810124 375024492 /nfs/dbraw/zinc/02/44/92/375024492.db2.gz QNWHDRMILTVCJV-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCF ZINC000435589363 248176119 /nfs/dbraw/zinc/17/61/19/248176119.db2.gz PRBYGGBDSJKVRU-UHFFFAOYSA-N 1 2 283.303 1.808 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000183225800 391164635 /nfs/dbraw/zinc/16/46/35/391164635.db2.gz NZSYOJRRHMXZMR-ZDUSSCGKSA-N 1 2 298.364 1.522 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000183225800 391164638 /nfs/dbraw/zinc/16/46/38/391164638.db2.gz NZSYOJRRHMXZMR-ZDUSSCGKSA-N 1 2 298.364 1.522 10 5 CDBELO C[C@@H]([NH2+]Cc1ncnn1C)c1ccccc1[N+](=O)[O-] ZINC000350185506 154347577 /nfs/dbraw/zinc/34/75/77/154347577.db2.gz VNSCZQIKCMDBTK-SECBINFHSA-N 1 2 261.285 1.574 10 5 CDBELO CCOc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000359700684 158342702 /nfs/dbraw/zinc/34/27/02/158342702.db2.gz QKAWGPOPTZEIMT-UHFFFAOYSA-N 1 2 290.279 1.647 10 5 CDBELO CCOc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000359700684 158342707 /nfs/dbraw/zinc/34/27/07/158342707.db2.gz QKAWGPOPTZEIMT-UHFFFAOYSA-N 1 2 290.279 1.647 10 5 CDBELO Cc1ccnc(Nc2nc[nH+]c(NN(C)C)c2[N+](=O)[O-])c1 ZINC000040588230 174346122 /nfs/dbraw/zinc/34/61/22/174346122.db2.gz ZNJPDPQMACRLTE-UHFFFAOYSA-N 1 2 289.299 1.720 10 5 CDBELO O=c1ccc([N+](=O)[O-])cn1Cc1c[nH+]c2ccccn12 ZINC000155857387 289252681 /nfs/dbraw/zinc/25/26/81/289252681.db2.gz MKLHFDJUFLNQNV-UHFFFAOYSA-N 1 2 270.248 1.453 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412061755 290267372 /nfs/dbraw/zinc/26/73/72/290267372.db2.gz AIOQSNANZFARMA-UHIISALHSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412061755 290267375 /nfs/dbraw/zinc/26/73/75/290267375.db2.gz AIOQSNANZFARMA-UHIISALHSA-N 1 2 280.324 1.737 10 5 CDBELO CCOC(=O)[C@](C)([NH3+])COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442080 521326300 /nfs/dbraw/zinc/32/63/00/521326300.db2.gz PRTLGTJIPABAKV-CQSZACIVSA-N 1 2 296.323 1.871 10 5 CDBELO CNc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050816190 522610293 /nfs/dbraw/zinc/61/02/93/522610293.db2.gz IENQOSFNCKIUAC-LBPRGKRZSA-N 1 2 292.339 1.476 10 5 CDBELO CNc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050816190 522610301 /nfs/dbraw/zinc/61/03/01/522610301.db2.gz IENQOSFNCKIUAC-LBPRGKRZSA-N 1 2 292.339 1.476 10 5 CDBELO CNc1[nH+]c2ccccc2cc1Cn1cnc([N+](=O)[O-])n1 ZINC000050829587 522690740 /nfs/dbraw/zinc/69/07/40/522690740.db2.gz ZKBODIVQCMRPRU-UHFFFAOYSA-N 1 2 284.279 1.825 10 5 CDBELO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000880444230 679834775 /nfs/dbraw/zinc/83/47/75/679834775.db2.gz RKOTZUSBTKUFRP-MWLCHTKSSA-N 1 2 266.297 1.646 10 5 CDBELO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000880444230 679834776 /nfs/dbraw/zinc/83/47/76/679834776.db2.gz RKOTZUSBTKUFRP-MWLCHTKSSA-N 1 2 266.297 1.646 10 5 CDBELO Cc1nn(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844757828 682398485 /nfs/dbraw/zinc/39/84/85/682398485.db2.gz KXUBFJVRNYQARZ-JTQLQIEISA-N 1 2 272.255 1.788 10 5 CDBELO Cc1nn(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844757828 682398490 /nfs/dbraw/zinc/39/84/90/682398490.db2.gz KXUBFJVRNYQARZ-JTQLQIEISA-N 1 2 272.255 1.788 10 5 CDBELO CONC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001141423251 936870381 /nfs/dbraw/zinc/87/03/81/936870381.db2.gz QGJKIVKNTIMGKH-UHFFFAOYSA-N 1 2 262.225 1.072 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1N1CCc2[nH+]c[nH]c2C1 ZINC000601166716 342485102 /nfs/dbraw/zinc/48/51/02/342485102.db2.gz QBHGXWUZYCXCFU-UHFFFAOYSA-N 1 2 263.232 1.415 10 5 CDBELO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000595559641 343097977 /nfs/dbraw/zinc/09/79/77/343097977.db2.gz TULVTTLCPOUOSZ-JTQLQIEISA-N 1 2 269.301 1.892 10 5 CDBELO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000595559641 343097978 /nfs/dbraw/zinc/09/79/78/343097978.db2.gz TULVTTLCPOUOSZ-JTQLQIEISA-N 1 2 269.301 1.892 10 5 CDBELO CC[C@H]([NH2+]C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000595931683 343184881 /nfs/dbraw/zinc/18/48/81/343184881.db2.gz JVKMBSKBWXYVKF-QMMMGPOBSA-N 1 2 253.258 1.237 10 5 CDBELO Cn1c[nH+]c(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000596265082 343279598 /nfs/dbraw/zinc/27/95/98/343279598.db2.gz QDFJPMHWWNTAGM-UHFFFAOYSA-N 1 2 263.257 1.084 10 5 CDBELO COC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092643648 342415864 /nfs/dbraw/zinc/41/58/64/342415864.db2.gz NLHHDQLHWSOMAX-JTQLQIEISA-N 1 2 294.307 1.685 10 5 CDBELO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092643648 342415865 /nfs/dbraw/zinc/41/58/65/342415865.db2.gz NLHHDQLHWSOMAX-JTQLQIEISA-N 1 2 294.307 1.685 10 5 CDBELO CNC(=O)CCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599040640 343943564 /nfs/dbraw/zinc/94/35/64/343943564.db2.gz MUNYAWWUWPTDNE-UHFFFAOYSA-N 1 2 288.307 1.715 10 5 CDBELO Cc1c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cccc1[N+](=O)[O-] ZINC000598943652 343924621 /nfs/dbraw/zinc/92/46/21/343924621.db2.gz VDVWTSIELUNVGV-SNVBAGLBSA-N 1 2 286.291 1.454 10 5 CDBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407316526 349899023 /nfs/dbraw/zinc/89/90/23/349899023.db2.gz IBODNTKCZVDCHB-GHMZBOCLSA-N 1 2 291.307 1.770 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](CCCF)CC1 ZINC000600072209 344170953 /nfs/dbraw/zinc/17/09/53/344170953.db2.gz PJJRREWJZKERAL-UHFFFAOYSA-N 1 2 285.275 1.305 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cncnc1)CC2 ZINC000124768299 351370855 /nfs/dbraw/zinc/37/08/55/351370855.db2.gz VUNBUEGIQQUYMM-UHFFFAOYSA-N 1 2 270.292 1.943 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cncnc1)CC2 ZINC000124768299 351370859 /nfs/dbraw/zinc/37/08/59/351370859.db2.gz VUNBUEGIQQUYMM-UHFFFAOYSA-N 1 2 270.292 1.943 10 5 CDBELO CCC[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000155939816 188236185 /nfs/dbraw/zinc/23/61/85/188236185.db2.gz JLUUDCHOZOZKNT-SNVBAGLBSA-N 1 2 281.312 1.969 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000339786860 359444663 /nfs/dbraw/zinc/44/46/63/359444663.db2.gz IDOUEHCUPXICHL-NSHDSACASA-N 1 2 266.297 1.647 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000339786860 359444666 /nfs/dbraw/zinc/44/46/66/359444666.db2.gz IDOUEHCUPXICHL-NSHDSACASA-N 1 2 266.297 1.647 10 5 CDBELO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(N)=O ZINC000183331317 189354949 /nfs/dbraw/zinc/35/49/49/189354949.db2.gz JOVQJRAYHDLYJZ-NSHDSACASA-N 1 2 295.339 1.225 10 5 CDBELO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(N)=O ZINC000183331317 189354950 /nfs/dbraw/zinc/35/49/50/189354950.db2.gz JOVQJRAYHDLYJZ-NSHDSACASA-N 1 2 295.339 1.225 10 5 CDBELO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000548406044 366901908 /nfs/dbraw/zinc/90/19/08/366901908.db2.gz JWCKMDRUWDWXLG-SECBINFHSA-N 1 2 275.268 1.594 10 5 CDBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000330890438 203357942 /nfs/dbraw/zinc/35/79/42/203357942.db2.gz HIYPWWQYEGJVDG-LLVKDONJSA-N 1 2 272.326 1.240 10 5 CDBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000330890438 203357945 /nfs/dbraw/zinc/35/79/45/203357945.db2.gz HIYPWWQYEGJVDG-LLVKDONJSA-N 1 2 272.326 1.240 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282227638 375073314 /nfs/dbraw/zinc/07/33/14/375073314.db2.gz PFNVEFCVWPGGKV-WDEREUQCSA-N 1 2 277.324 1.818 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282227638 375073321 /nfs/dbraw/zinc/07/33/21/375073321.db2.gz PFNVEFCVWPGGKV-WDEREUQCSA-N 1 2 277.324 1.818 10 5 CDBELO Cc1nc(N2CCC(c3c[nH]c[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000450383461 251255823 /nfs/dbraw/zinc/25/58/23/251255823.db2.gz YUBBSDYYMXOZSX-UHFFFAOYSA-N 1 2 288.311 1.800 10 5 CDBELO Cc1nc(N2CCC(c3c[nH+]c[nH]3)CC2)ncc1[N+](=O)[O-] ZINC000450383461 251255826 /nfs/dbraw/zinc/25/58/26/251255826.db2.gz YUBBSDYYMXOZSX-UHFFFAOYSA-N 1 2 288.311 1.800 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000457861657 391653624 /nfs/dbraw/zinc/65/36/24/391653624.db2.gz QIRJQWIKNAWGBO-UHFFFAOYSA-N 1 2 280.309 1.362 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421362454 392933411 /nfs/dbraw/zinc/93/34/11/392933411.db2.gz NJPXHWQWSRKKLV-AWEZNQCLSA-N 1 2 294.351 1.875 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000421362454 392933416 /nfs/dbraw/zinc/93/34/16/392933416.db2.gz NJPXHWQWSRKKLV-AWEZNQCLSA-N 1 2 294.351 1.875 10 5 CDBELO CN1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000191079131 140133847 /nfs/dbraw/zinc/13/38/47/140133847.db2.gz KHNKLXHRYNQRJI-UHFFFAOYSA-N 1 2 263.297 1.259 10 5 CDBELO CN1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000191079131 140133848 /nfs/dbraw/zinc/13/38/48/140133848.db2.gz KHNKLXHRYNQRJI-UHFFFAOYSA-N 1 2 263.297 1.259 10 5 CDBELO COc1cc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352536089 155257099 /nfs/dbraw/zinc/25/70/99/155257099.db2.gz ZEAXJOCEUAGOSC-JQWIXIFHSA-N 1 2 296.323 1.185 10 5 CDBELO COc1cc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352536089 155257100 /nfs/dbraw/zinc/25/71/00/155257100.db2.gz ZEAXJOCEUAGOSC-JQWIXIFHSA-N 1 2 296.323 1.185 10 5 CDBELO O=[N+]([O-])c1ccccc1-c1n[nH]c(Cn2cc[nH+]c2)n1 ZINC000040176242 174201301 /nfs/dbraw/zinc/20/13/01/174201301.db2.gz AWLHRWMGLZICFM-UHFFFAOYSA-N 1 2 270.252 1.625 10 5 CDBELO COc1ccc(C(=O)NCCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000078723719 177375881 /nfs/dbraw/zinc/37/58/81/177375881.db2.gz PDYCKSJQEYPHBZ-UHFFFAOYSA-N 1 2 290.279 1.299 10 5 CDBELO COc1ccc(C(=O)NCCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000078723719 177375883 /nfs/dbraw/zinc/37/58/83/177375883.db2.gz PDYCKSJQEYPHBZ-UHFFFAOYSA-N 1 2 290.279 1.299 10 5 CDBELO Cn1cc[nH+]c1CN(c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000048893725 424323971 /nfs/dbraw/zinc/32/39/71/424323971.db2.gz JVUIFVQBKOQEDA-UHFFFAOYSA-N 1 2 273.296 1.892 10 5 CDBELO NC(=O)c1coc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000189414354 270277659 /nfs/dbraw/zinc/27/76/59/270277659.db2.gz OTLDFCJFKLDJOT-UHFFFAOYSA-N 1 2 281.293 1.638 10 5 CDBELO Cc1cnc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000313448522 270325054 /nfs/dbraw/zinc/32/50/54/270325054.db2.gz VNQOCPPMWZHOOT-UHFFFAOYSA-N 1 2 261.285 1.686 10 5 CDBELO COC(=O)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000062726271 523925857 /nfs/dbraw/zinc/92/58/57/523925857.db2.gz VTRRHTOPCQDWGU-CYBMUJFWSA-N 1 2 280.324 1.925 10 5 CDBELO Cc1cnc(OCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000188321946 526100265 /nfs/dbraw/zinc/10/02/65/526100265.db2.gz KQDVLSBQINLQAP-NSHDSACASA-N 1 2 281.312 1.398 10 5 CDBELO Cc1cnc(OCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000188321946 526100271 /nfs/dbraw/zinc/10/02/71/526100271.db2.gz KQDVLSBQINLQAP-NSHDSACASA-N 1 2 281.312 1.398 10 5 CDBELO O=C(C[N@H+]1CCCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000049136173 526744004 /nfs/dbraw/zinc/74/40/04/526744004.db2.gz CWRKNHPRPDYYMW-CYBMUJFWSA-N 1 2 278.308 1.624 10 5 CDBELO O=C(C[N@@H+]1CCCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000049136173 526744011 /nfs/dbraw/zinc/74/40/11/526744011.db2.gz CWRKNHPRPDYYMW-CYBMUJFWSA-N 1 2 278.308 1.624 10 5 CDBELO Nc1[nH+]c2ccccc2cc1Cn1cnc([N+](=O)[O-])n1 ZINC000050829578 527561987 /nfs/dbraw/zinc/56/19/87/527561987.db2.gz JMYWWYDKZHHCDZ-UHFFFAOYSA-N 1 2 270.252 1.365 10 5 CDBELO Cn1ccc(C2CC[NH+](Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000905718906 626939211 /nfs/dbraw/zinc/93/92/11/626939211.db2.gz BONKVROUGGVLGB-UHFFFAOYSA-N 1 2 290.327 1.362 10 5 CDBELO CC(C)(CCC(=O)N[C@@H]1CCn2c[nH+]cc21)[N+](=O)[O-] ZINC000857976859 685598868 /nfs/dbraw/zinc/59/88/68/685598868.db2.gz NKNAHCVZHDXXMZ-SECBINFHSA-N 1 2 266.301 1.280 10 5 CDBELO CCOC1(C)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834378545 684680119 /nfs/dbraw/zinc/68/01/19/684680119.db2.gz PJOCXKKKEYSUPI-ZDUSSCGKSA-N 1 2 280.324 1.739 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1csc([N+](=O)[O-])c1 ZINC000857984691 684694273 /nfs/dbraw/zinc/69/42/73/684694273.db2.gz DSJRRAWQAPNFGH-QMMMGPOBSA-N 1 2 278.293 1.728 10 5 CDBELO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C ZINC000928435923 687044163 /nfs/dbraw/zinc/04/41/63/687044163.db2.gz HVRGRRKRVTVLAK-KWQFWETISA-N 1 2 279.296 1.123 10 5 CDBELO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000928435923 687044166 /nfs/dbraw/zinc/04/41/66/687044166.db2.gz HVRGRRKRVTVLAK-KWQFWETISA-N 1 2 279.296 1.123 10 5 CDBELO COc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC001631347045 1166269777 /nfs/dbraw/zinc/26/97/77/1166269777.db2.gz GHOJBHFTCWFGAO-UHFFFAOYSA-N 1 2 290.279 1.898 10 5 CDBELO Nc1ncc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC001642039378 1167151545 /nfs/dbraw/zinc/15/15/45/1167151545.db2.gz XYTZCRYNEUPGLA-UHFFFAOYSA-N 1 2 298.262 1.472 10 5 CDBELO Cn1c[nH+]c2cc(Nc3c([N+](=O)[O-])cnn3C)ccc21 ZINC001650799046 1171258462 /nfs/dbraw/zinc/25/84/62/1171258462.db2.gz XYKZHHBTBUGRRX-UHFFFAOYSA-N 1 2 272.268 1.959 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(N3CCc4[nH+]c[nH]c4C3)nc2c1 ZINC001186632681 920128510 /nfs/dbraw/zinc/12/85/10/920128510.db2.gz DGQSWOKIYLBHGN-UHFFFAOYSA-N 1 2 284.279 1.757 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC1(O)CCC1)C2 ZINC001334972687 959500174 /nfs/dbraw/zinc/50/01/74/959500174.db2.gz NOOAAMWKOUARGR-CQSZACIVSA-N 1 2 292.335 1.576 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC1(O)CCC1)C2 ZINC001334972687 959500184 /nfs/dbraw/zinc/50/01/84/959500184.db2.gz NOOAAMWKOUARGR-CQSZACIVSA-N 1 2 292.335 1.576 10 5 CDBELO CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001349805948 966480134 /nfs/dbraw/zinc/48/01/34/966480134.db2.gz PVDNLYHXSHMIIC-NXEZZACHSA-N 1 2 255.274 1.433 10 5 CDBELO [NH3+]CC1(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000593914131 342856323 /nfs/dbraw/zinc/85/63/23/342856323.db2.gz ILJUVDDBKKUAEE-UHFFFAOYSA-N 1 2 279.296 1.159 10 5 CDBELO COc1cc(CN2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000595488851 343075470 /nfs/dbraw/zinc/07/54/70/343075470.db2.gz DRLQSAPFRFFHCK-UHFFFAOYSA-N 1 2 288.307 1.816 10 5 CDBELO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000598649067 343857775 /nfs/dbraw/zinc/85/77/75/343857775.db2.gz UZYZMHDWNAOERZ-JQWIXIFHSA-N 1 2 280.324 1.751 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000598649067 343857777 /nfs/dbraw/zinc/85/77/77/343857777.db2.gz UZYZMHDWNAOERZ-JQWIXIFHSA-N 1 2 280.324 1.751 10 5 CDBELO COC(=O)c1cnc(NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000291255373 344788616 /nfs/dbraw/zinc/78/86/16/344788616.db2.gz YREMYKLYFGPJKV-UHFFFAOYSA-N 1 2 291.267 1.122 10 5 CDBELO O=[N+]([O-])c1cc(CN2CCn3c[nH+]cc3C2)cs1 ZINC000291578421 198041712 /nfs/dbraw/zinc/04/17/12/198041712.db2.gz OPXIEGRBKPKGQW-UHFFFAOYSA-N 1 2 264.310 1.869 10 5 CDBELO C[C@H](NC(=O)Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000048561785 356601031 /nfs/dbraw/zinc/60/10/31/356601031.db2.gz VUKCKLGTVJCSQI-JTQLQIEISA-N 1 2 274.280 1.669 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000135072884 357416777 /nfs/dbraw/zinc/41/67/77/357416777.db2.gz SOLVIAKWUIWFJM-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000262930377 358909308 /nfs/dbraw/zinc/90/93/08/358909308.db2.gz HTZUMGXTWIHZQF-KCJUWKMLSA-N 1 2 299.277 1.769 10 5 CDBELO Cn1c[nH+]cc1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000339176715 359303784 /nfs/dbraw/zinc/30/37/84/359303784.db2.gz KMCBORJXTMMUCF-UHFFFAOYSA-N 1 2 290.279 1.605 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(CC[NH+]2C[C@@H](C)O[C@H](C)C2)c1=O ZINC000571702659 359603661 /nfs/dbraw/zinc/60/36/61/359603661.db2.gz PQMWGWYAGATAPT-VXGBXAGGSA-N 1 2 295.339 1.174 10 5 CDBELO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc[nH]n1 ZINC000358210828 360807384 /nfs/dbraw/zinc/80/73/84/360807384.db2.gz PQXYPENZVHGSCJ-UHFFFAOYSA-N 1 2 276.296 1.829 10 5 CDBELO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cc[nH]n1 ZINC000358210828 360807385 /nfs/dbraw/zinc/80/73/85/360807385.db2.gz PQXYPENZVHGSCJ-UHFFFAOYSA-N 1 2 276.296 1.829 10 5 CDBELO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000175318447 364380812 /nfs/dbraw/zinc/38/08/12/364380812.db2.gz KUOJGQDQGROGRM-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000175318447 364380824 /nfs/dbraw/zinc/38/08/24/364380824.db2.gz KUOJGQDQGROGRM-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cncnc3)CC2)c1 ZINC000121345399 364537693 /nfs/dbraw/zinc/53/76/93/364537693.db2.gz ZLUXEYMWNBGTBF-UHFFFAOYSA-N 1 2 299.334 1.707 10 5 CDBELO CN(Cc1[nH+]ccn1C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447690656 374707930 /nfs/dbraw/zinc/70/79/30/374707930.db2.gz ZCQPFFRMCFXVIR-UHFFFAOYSA-N 1 2 286.295 1.841 10 5 CDBELO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000331387554 374946329 /nfs/dbraw/zinc/94/63/29/374946329.db2.gz IVIWFDFJUSMKLN-JTQLQIEISA-N 1 2 275.268 1.623 10 5 CDBELO C[NH+]1CCC(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280746615 375020575 /nfs/dbraw/zinc/02/05/75/375020575.db2.gz KOBPCNQPQVQAQE-UHFFFAOYSA-N 1 2 279.296 1.124 10 5 CDBELO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000332280789 375022961 /nfs/dbraw/zinc/02/29/61/375022961.db2.gz WJTFKWKWGCDLJE-TVQRCGJNSA-N 1 2 290.323 1.674 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1O ZINC000332280789 375022967 /nfs/dbraw/zinc/02/29/67/375022967.db2.gz WJTFKWKWGCDLJE-TVQRCGJNSA-N 1 2 290.323 1.674 10 5 CDBELO COc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000351978542 375346044 /nfs/dbraw/zinc/34/60/44/375346044.db2.gz VSETVNTZEPTGAH-LBPRGKRZSA-N 1 2 293.323 1.443 10 5 CDBELO COc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000351978542 375346051 /nfs/dbraw/zinc/34/60/51/375346051.db2.gz VSETVNTZEPTGAH-LBPRGKRZSA-N 1 2 293.323 1.443 10 5 CDBELO CC[NH+](CC)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183913032 391330546 /nfs/dbraw/zinc/33/05/46/391330546.db2.gz NKCMJSREJSMPNS-UHFFFAOYSA-N 1 2 267.285 1.581 10 5 CDBELO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000234353696 140229380 /nfs/dbraw/zinc/22/93/80/140229380.db2.gz IARSHLIRRZIJGU-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000234353696 140229381 /nfs/dbraw/zinc/22/93/81/140229381.db2.gz IARSHLIRRZIJGU-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO O=C(NCC[N@@H+]1CC=CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000350089591 154324004 /nfs/dbraw/zinc/32/40/04/154324004.db2.gz VWUANKVUWOUCNU-UHFFFAOYSA-N 1 2 291.307 1.292 10 5 CDBELO O=C(NCC[N@H+]1CC=CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000350089591 154324000 /nfs/dbraw/zinc/32/40/00/154324000.db2.gz VWUANKVUWOUCNU-UHFFFAOYSA-N 1 2 291.307 1.292 10 5 CDBELO Cc1nc(N)c(CNC(=O)c2csc([N+](=O)[O-])c2)c[nH+]1 ZINC000569030742 294145670 /nfs/dbraw/zinc/14/56/70/294145670.db2.gz PDMPEYBFYHTVPZ-UHFFFAOYSA-N 1 2 293.308 1.097 10 5 CDBELO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000574133831 294950050 /nfs/dbraw/zinc/95/00/50/294950050.db2.gz QDALTNAWGOMTJT-KCJUWKMLSA-N 1 2 287.279 1.622 10 5 CDBELO CC[NH2+][C@H](CCOc1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000062539208 520193448 /nfs/dbraw/zinc/19/34/48/520193448.db2.gz PEAWNKXTHMCGAC-CYBMUJFWSA-N 1 2 296.323 1.905 10 5 CDBELO COC(=O)[C@](C)([NH3+])COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442079 524001094 /nfs/dbraw/zinc/00/10/94/524001094.db2.gz SXJUIGDEQUGLIY-CYBMUJFWSA-N 1 2 282.296 1.481 10 5 CDBELO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000315304203 535016429 /nfs/dbraw/zinc/01/64/29/535016429.db2.gz KMXXTFSAGPWCOD-SNVBAGLBSA-N 1 2 295.339 1.759 10 5 CDBELO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000315304203 535016433 /nfs/dbraw/zinc/01/64/33/535016433.db2.gz KMXXTFSAGPWCOD-SNVBAGLBSA-N 1 2 295.339 1.759 10 5 CDBELO CCn1ncc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000858445061 688397722 /nfs/dbraw/zinc/39/77/22/688397722.db2.gz ZHMACZWCGNQWEJ-ZDUSSCGKSA-N 1 2 287.323 1.983 10 5 CDBELO Cc1nn(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1[N+](=O)[O-] ZINC000840189069 694459028 /nfs/dbraw/zinc/45/90/28/694459028.db2.gz PHNUBOSPWYAIJI-NSHDSACASA-N 1 2 295.343 1.046 10 5 CDBELO Cc1nn(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1[N+](=O)[O-] ZINC000840189069 694459041 /nfs/dbraw/zinc/45/90/41/694459041.db2.gz PHNUBOSPWYAIJI-NSHDSACASA-N 1 2 295.343 1.046 10 5 CDBELO C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000814046590 694535392 /nfs/dbraw/zinc/53/53/92/694535392.db2.gz HGQGOBIUNOHDHH-VXGBXAGGSA-N 1 2 292.335 1.642 10 5 CDBELO C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000814046590 694535397 /nfs/dbraw/zinc/53/53/97/694535397.db2.gz HGQGOBIUNOHDHH-VXGBXAGGSA-N 1 2 292.335 1.642 10 5 CDBELO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625952 692828448 /nfs/dbraw/zinc/82/84/48/692828448.db2.gz QVAJVOLRPUFRFY-QMMMGPOBSA-N 1 2 276.300 1.156 10 5 CDBELO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)ccc1[N+](=O)[O-] ZINC000857991212 694770116 /nfs/dbraw/zinc/77/01/16/694770116.db2.gz VUDINBXDUDMYBP-NSHDSACASA-N 1 2 286.291 1.975 10 5 CDBELO CCc1[nH]c(CNc2c([N+](=O)[O-])cnn2C)c[nH+]1 ZINC001612983919 1165526671 /nfs/dbraw/zinc/52/66/71/1165526671.db2.gz PCEIUQYFRBJNDP-UHFFFAOYSA-N 1 2 250.262 1.226 10 5 CDBELO CCc1[nH]cc(CNc2c([N+](=O)[O-])cnn2C)[nH+]1 ZINC001612983919 1165526680 /nfs/dbraw/zinc/52/66/80/1165526680.db2.gz PCEIUQYFRBJNDP-UHFFFAOYSA-N 1 2 250.262 1.226 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001631347131 1166269036 /nfs/dbraw/zinc/26/90/36/1166269036.db2.gz JNKOMXUQWNMXSJ-SNVBAGLBSA-N 1 2 279.296 1.636 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001631347131 1166269041 /nfs/dbraw/zinc/26/90/41/1166269041.db2.gz JNKOMXUQWNMXSJ-SNVBAGLBSA-N 1 2 279.296 1.636 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1 ZINC001641433466 1167106955 /nfs/dbraw/zinc/10/69/55/1167106955.db2.gz SVWOBUFGKNBZKB-NSHDSACASA-N 1 2 272.264 1.666 10 5 CDBELO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001643110854 1167226110 /nfs/dbraw/zinc/22/61/10/1167226110.db2.gz WBOMUUSDAPOKCA-UFBFGSQYSA-N 1 2 276.296 1.426 10 5 CDBELO C[C@H]1[C@@H](O)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001643110854 1167226116 /nfs/dbraw/zinc/22/61/16/1167226116.db2.gz WBOMUUSDAPOKCA-UFBFGSQYSA-N 1 2 276.296 1.426 10 5 CDBELO CC(C)c1[nH]cc(CNc2ncc([N+](=O)[O-])cn2)[nH+]1 ZINC001643234532 1167238508 /nfs/dbraw/zinc/23/85/08/1167238508.db2.gz KNCLUWWSJZGWEZ-UHFFFAOYSA-N 1 2 262.273 1.843 10 5 CDBELO CC(C)c1[nH]c(CNc2ncc([N+](=O)[O-])cn2)c[nH+]1 ZINC001643234532 1167238518 /nfs/dbraw/zinc/23/85/18/1167238518.db2.gz KNCLUWWSJZGWEZ-UHFFFAOYSA-N 1 2 262.273 1.843 10 5 CDBELO Cc1cc(CNc2nn(C)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001651957670 1171381962 /nfs/dbraw/zinc/38/19/62/1171381962.db2.gz RJDRPCLIZIVRMR-UHFFFAOYSA-N 1 2 261.285 1.952 10 5 CDBELO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc([N+](=O)[O-])c1 ZINC000857983866 723150577 /nfs/dbraw/zinc/15/05/77/723150577.db2.gz DQKNBFIFJAGXKD-LBPRGKRZSA-N 1 2 286.291 1.975 10 5 CDBELO Cc1c(C[NH2+]Cc2cnn(C)n2)cccc1[N+](=O)[O-] ZINC000311618800 898871072 /nfs/dbraw/zinc/87/10/72/898871072.db2.gz WXIGJWWCKHNVMY-UHFFFAOYSA-N 1 2 261.285 1.322 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(F)cc([N+](=O)[O-])c1 ZINC001149165340 936991513 /nfs/dbraw/zinc/99/15/13/936991513.db2.gz ZWSGFTFFEZERSW-LLVKDONJSA-N 1 2 290.254 1.805 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000828724967 926172906 /nfs/dbraw/zinc/17/29/06/926172906.db2.gz OCGBSMBFMMIIGI-JSGCOSHPSA-N 1 2 293.367 1.573 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000828724967 926172911 /nfs/dbraw/zinc/17/29/11/926172911.db2.gz OCGBSMBFMMIIGI-JSGCOSHPSA-N 1 2 293.367 1.573 10 5 CDBELO O=[N+]([O-])c1cncc(Cl)c1NCCn1cc[nH+]c1 ZINC000310749413 941307560 /nfs/dbraw/zinc/30/75/60/941307560.db2.gz KHYBHVRTUKHFHI-UHFFFAOYSA-N 1 2 267.676 1.952 10 5 CDBELO CCc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])cn2C)c[nH+]1 ZINC001456140408 968872394 /nfs/dbraw/zinc/87/23/94/968872394.db2.gz ATXWAGDDMMDPIU-UHFFFAOYSA-N 1 2 277.284 1.149 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])cn2C)[nH+]1 ZINC001456140408 968872400 /nfs/dbraw/zinc/87/24/00/968872400.db2.gz ATXWAGDDMMDPIU-UHFFFAOYSA-N 1 2 277.284 1.149 10 5 CDBELO Cn1c[nH+]cc1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000290534252 342535027 /nfs/dbraw/zinc/53/50/27/342535027.db2.gz ADCQIWUKSVYGTR-UHFFFAOYSA-N 1 2 273.296 1.908 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000611615937 346837550 /nfs/dbraw/zinc/83/75/50/346837550.db2.gz MSZNKAGFRQMZNA-GFCCVEGCSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1ncc([N+](=O)[O-])n1Cc1c[nH+]c2ccccn12 ZINC000155943282 342209794 /nfs/dbraw/zinc/20/97/94/342209794.db2.gz WSUAIPGZSSQBGM-UHFFFAOYSA-N 1 2 257.253 1.796 10 5 CDBELO Cc1noc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1[N+](=O)[O-] ZINC000595543572 343093945 /nfs/dbraw/zinc/09/39/45/343093945.db2.gz NROJBTKUHOEYSH-SNVBAGLBSA-N 1 2 296.327 1.380 10 5 CDBELO Cc1noc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1[N+](=O)[O-] ZINC000595543572 343093946 /nfs/dbraw/zinc/09/39/46/343093946.db2.gz NROJBTKUHOEYSH-SNVBAGLBSA-N 1 2 296.327 1.380 10 5 CDBELO COC(=O)C12CC(C1)C[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000595673276 343128520 /nfs/dbraw/zinc/12/85/20/343128520.db2.gz AVBLVISWFYJQHD-UHFFFAOYSA-N 1 2 290.319 1.775 10 5 CDBELO COC(=O)C12CC(C1)C[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000595673276 343128522 /nfs/dbraw/zinc/12/85/22/343128522.db2.gz AVBLVISWFYJQHD-UHFFFAOYSA-N 1 2 290.319 1.775 10 5 CDBELO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344419832 362765469 /nfs/dbraw/zinc/76/54/69/362765469.db2.gz NRQYGOYVWHWVFU-JTQLQIEISA-N 1 2 266.301 1.122 10 5 CDBELO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])nc1 ZINC000344419832 362765472 /nfs/dbraw/zinc/76/54/72/362765472.db2.gz NRQYGOYVWHWVFU-JTQLQIEISA-N 1 2 266.301 1.122 10 5 CDBELO CN(C)c1[nH+]cccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046591119 348794207 /nfs/dbraw/zinc/79/42/07/348794207.db2.gz SGXMHETVNDPWCO-UHFFFAOYSA-N 1 2 290.279 1.579 10 5 CDBELO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559152415 356225439 /nfs/dbraw/zinc/22/54/39/356225439.db2.gz LMFSQJKBYFAUEE-ZDUSSCGKSA-N 1 2 266.297 1.647 10 5 CDBELO C[C@@]1(CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559152415 356225443 /nfs/dbraw/zinc/22/54/43/356225443.db2.gz LMFSQJKBYFAUEE-ZDUSSCGKSA-N 1 2 266.297 1.647 10 5 CDBELO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000339137039 359299754 /nfs/dbraw/zinc/29/97/54/359299754.db2.gz PVJXGSATKCNRTD-OCCSQVGLSA-N 1 2 296.323 1.584 10 5 CDBELO NC(=O)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000270654727 366917078 /nfs/dbraw/zinc/91/70/78/366917078.db2.gz JKZPCVIMUBSNAZ-SECBINFHSA-N 1 2 298.730 1.491 10 5 CDBELO NC(=O)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000270654727 366917079 /nfs/dbraw/zinc/91/70/79/366917079.db2.gz JKZPCVIMUBSNAZ-SECBINFHSA-N 1 2 298.730 1.491 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(=NCCNc3cccc[nH+]3)[nH]c2c1 ZINC000447685359 374708289 /nfs/dbraw/zinc/70/82/89/374708289.db2.gz KNXIKYLMWBGQPQ-UHFFFAOYSA-N 1 2 298.306 1.812 10 5 CDBELO COc1cc(CN(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000352780507 375539258 /nfs/dbraw/zinc/53/92/58/375539258.db2.gz UZSCUXRHBVEPGN-UHFFFAOYSA-N 1 2 290.323 1.969 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190077715 391141009 /nfs/dbraw/zinc/14/10/09/391141009.db2.gz AFKFVXUFJKQPCR-NSHDSACASA-N 1 2 277.324 1.566 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000190077715 391141014 /nfs/dbraw/zinc/14/10/14/391141014.db2.gz AFKFVXUFJKQPCR-NSHDSACASA-N 1 2 277.324 1.566 10 5 CDBELO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000346982288 153367884 /nfs/dbraw/zinc/36/78/84/153367884.db2.gz NFHBUKFOOUYTLE-JQWIXIFHSA-N 1 2 296.323 1.185 10 5 CDBELO COc1cc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000346982288 153367886 /nfs/dbraw/zinc/36/78/86/153367886.db2.gz NFHBUKFOOUYTLE-JQWIXIFHSA-N 1 2 296.323 1.185 10 5 CDBELO Cc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363891681 159351339 /nfs/dbraw/zinc/35/13/39/159351339.db2.gz UMVADSHXXWYTJG-CQSZACIVSA-N 1 2 291.351 1.420 10 5 CDBELO Cc1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363891681 159351342 /nfs/dbraw/zinc/35/13/42/159351342.db2.gz UMVADSHXXWYTJG-CQSZACIVSA-N 1 2 291.351 1.420 10 5 CDBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000373580459 160212593 /nfs/dbraw/zinc/21/25/93/160212593.db2.gz FYXKGSSPTNOGDW-HUUCEWRRSA-N 1 2 292.335 1.739 10 5 CDBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000373580459 160212595 /nfs/dbraw/zinc/21/25/95/160212595.db2.gz FYXKGSSPTNOGDW-HUUCEWRRSA-N 1 2 292.335 1.739 10 5 CDBELO COC(=O)[C@H]([NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044327458 175163280 /nfs/dbraw/zinc/16/32/80/175163280.db2.gz LCJQUKSBKMHWQA-MRVPVSSYSA-N 1 2 258.661 1.291 10 5 CDBELO CC1(C(N)=O)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000570714110 294295152 /nfs/dbraw/zinc/29/51/52/294295152.db2.gz GZYSJJFOXUVWNZ-UHFFFAOYSA-N 1 2 286.291 1.455 10 5 CDBELO C[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000062541047 522460793 /nfs/dbraw/zinc/46/07/93/522460793.db2.gz NIMUQUUFNHKUMJ-LLVKDONJSA-N 1 2 268.269 1.125 10 5 CDBELO CCOC(=O)[C@@H](CCOc1ccc([N+](=O)[O-])cc1)[NH2+]C ZINC000062541040 521061787 /nfs/dbraw/zinc/06/17/87/521061787.db2.gz BREHBROCHFWFBJ-GFCCVEGCSA-N 1 2 282.296 1.515 10 5 CDBELO COc1cc(C(=O)Nc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000156700299 522156334 /nfs/dbraw/zinc/15/63/34/522156334.db2.gz ZBPWIUMKKPTEON-UHFFFAOYSA-N 1 2 288.263 1.833 10 5 CDBELO C[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])c(C)c1)C(=O)OC ZINC000062540025 522348899 /nfs/dbraw/zinc/34/88/99/522348899.db2.gz XQIGQGXLFBLIQF-NSHDSACASA-N 1 2 282.296 1.433 10 5 CDBELO C[NH2+][C@H](CCOc1c(C)cc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000062595604 522462143 /nfs/dbraw/zinc/46/21/43/522462143.db2.gz TYBLISZHOROYLD-LLVKDONJSA-N 1 2 296.323 1.742 10 5 CDBELO CNc1[nH+]cnc2c1cnn2-c1ccccc1[N+](=O)[O-] ZINC000062366836 522717754 /nfs/dbraw/zinc/71/77/54/522717754.db2.gz WICJVHGAXSAULF-UHFFFAOYSA-N 1 2 270.252 1.765 10 5 CDBELO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816231 524081597 /nfs/dbraw/zinc/08/15/97/524081597.db2.gz MMUZGRROQQMYPG-LBPRGKRZSA-N 1 2 292.339 1.278 10 5 CDBELO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816231 524081598 /nfs/dbraw/zinc/08/15/98/524081598.db2.gz MMUZGRROQQMYPG-LBPRGKRZSA-N 1 2 292.339 1.278 10 5 CDBELO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050792528 524988648 /nfs/dbraw/zinc/98/86/48/524988648.db2.gz SKTAWWUJGRBUGF-SECBINFHSA-N 1 2 251.286 1.398 10 5 CDBELO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050792528 524988656 /nfs/dbraw/zinc/98/86/56/524988656.db2.gz SKTAWWUJGRBUGF-SECBINFHSA-N 1 2 251.286 1.398 10 5 CDBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cn1 ZINC000898494737 621765207 /nfs/dbraw/zinc/76/52/07/621765207.db2.gz GDDYDLGUMHBIPC-JTQLQIEISA-N 1 2 296.302 1.154 10 5 CDBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cn1 ZINC000898494737 621765211 /nfs/dbraw/zinc/76/52/11/621765211.db2.gz GDDYDLGUMHBIPC-JTQLQIEISA-N 1 2 296.302 1.154 10 5 CDBELO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912912969 630281253 /nfs/dbraw/zinc/28/12/53/630281253.db2.gz FWKANXWAVJDCSF-NSHDSACASA-N 1 2 291.307 1.221 10 5 CDBELO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)c(N)c1[N+](=O)[O-] ZINC001636724213 1166692265 /nfs/dbraw/zinc/69/22/65/1166692265.db2.gz RSAFEUSFQVUVAW-UHFFFAOYSA-N 1 2 289.295 1.780 10 5 CDBELO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)c(N)c1[N+](=O)[O-] ZINC001636724213 1166692268 /nfs/dbraw/zinc/69/22/68/1166692268.db2.gz RSAFEUSFQVUVAW-UHFFFAOYSA-N 1 2 289.295 1.780 10 5 CDBELO Nc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001637200215 1166735763 /nfs/dbraw/zinc/73/57/63/1166735763.db2.gz JBNUXJDACROONG-UHFFFAOYSA-N 1 2 261.241 1.081 10 5 CDBELO Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC001642929831 1167212420 /nfs/dbraw/zinc/21/24/20/1167212420.db2.gz UMSJXPGZUSRCML-UHFFFAOYSA-N 1 2 288.307 1.875 10 5 CDBELO C[N@H+](CC[S@](C)=O)Cc1ccccc1[N+](=O)[O-] ZINC000798193369 724333782 /nfs/dbraw/zinc/33/37/82/724333782.db2.gz KWHNSLIFKBZLCC-KRWDZBQOSA-N 1 2 256.327 1.405 10 5 CDBELO C[N@@H+](CC[S@](C)=O)Cc1ccccc1[N+](=O)[O-] ZINC000798193369 724333786 /nfs/dbraw/zinc/33/37/86/724333786.db2.gz KWHNSLIFKBZLCC-KRWDZBQOSA-N 1 2 256.327 1.405 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001620646011 1165663497 /nfs/dbraw/zinc/66/34/97/1165663497.db2.gz NYGYHXIEUFZTEP-VHSXEESVSA-N 1 2 290.327 1.839 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])o1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141313861 936845157 /nfs/dbraw/zinc/84/51/57/936845157.db2.gz PTQJYHQRSWLJPK-IUCAKERBSA-N 1 2 283.259 1.056 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])o1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141313861 936845158 /nfs/dbraw/zinc/84/51/58/936845158.db2.gz PTQJYHQRSWLJPK-IUCAKERBSA-N 1 2 283.259 1.056 10 5 CDBELO C[N@@H+]1CCO[C@@H](CSc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601181231 342488104 /nfs/dbraw/zinc/48/81/04/342488104.db2.gz FDFNHGURKNVVKJ-SECBINFHSA-N 1 2 287.316 1.552 10 5 CDBELO C[N@H+]1CCO[C@@H](CSc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601181231 342488105 /nfs/dbraw/zinc/48/81/05/342488105.db2.gz FDFNHGURKNVVKJ-SECBINFHSA-N 1 2 287.316 1.552 10 5 CDBELO CC(C)(CNc1ncc([N+](=O)[O-])cn1)n1cc[nH+]c1 ZINC000601198445 342489898 /nfs/dbraw/zinc/48/98/98/342489898.db2.gz XEJJNTOACDHFLY-UHFFFAOYSA-N 1 2 262.273 1.429 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])nc1)CC2 ZINC000611764157 346874076 /nfs/dbraw/zinc/87/40/76/346874076.db2.gz DEPVQDYJERNWFQ-UHFFFAOYSA-N 1 2 259.269 1.515 10 5 CDBELO Cc1cn2c([nH+]1)CN(Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595426971 343056771 /nfs/dbraw/zinc/05/67/71/343056771.db2.gz VCCUYLJISORHSD-UHFFFAOYSA-N 1 2 277.284 1.412 10 5 CDBELO CCN1OC[C@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000595476528 343064282 /nfs/dbraw/zinc/06/42/82/343064282.db2.gz NKUIYSOPRPFVOS-ZDUSSCGKSA-N 1 2 293.323 1.231 10 5 CDBELO CCN1OC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000595476528 343064284 /nfs/dbraw/zinc/06/42/84/343064284.db2.gz NKUIYSOPRPFVOS-ZDUSSCGKSA-N 1 2 293.323 1.231 10 5 CDBELO C[C@@H](c1c([N+](=O)[O-])cnn1[C@@H]1CCCCO1)[N@H+](C)CCO ZINC000224885751 343081155 /nfs/dbraw/zinc/08/11/55/343081155.db2.gz OWTZMRVXEYEESD-JQWIXIFHSA-N 1 2 298.343 1.476 10 5 CDBELO C[C@@H](c1c([N+](=O)[O-])cnn1[C@@H]1CCCCO1)[N@@H+](C)CCO ZINC000224885751 343081159 /nfs/dbraw/zinc/08/11/59/343081159.db2.gz OWTZMRVXEYEESD-JQWIXIFHSA-N 1 2 298.343 1.476 10 5 CDBELO CO[C@@]1(CO)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595657659 343118744 /nfs/dbraw/zinc/11/87/44/343118744.db2.gz FEEJKJSCDOHYGX-AWEZNQCLSA-N 1 2 296.323 1.274 10 5 CDBELO CO[C@@]1(CO)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595657659 343118746 /nfs/dbraw/zinc/11/87/46/343118746.db2.gz FEEJKJSCDOHYGX-AWEZNQCLSA-N 1 2 296.323 1.274 10 5 CDBELO O=C(C[N@@H+]1CCC2(COC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595834983 343170563 /nfs/dbraw/zinc/17/05/63/343170563.db2.gz QSRGPHUGKMLHHT-UHFFFAOYSA-N 1 2 291.307 1.256 10 5 CDBELO O=C(C[N@H+]1CCC2(COC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595834983 343170566 /nfs/dbraw/zinc/17/05/66/343170566.db2.gz QSRGPHUGKMLHHT-UHFFFAOYSA-N 1 2 291.307 1.256 10 5 CDBELO CC(C)(C)[N@H+](CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093759150 342426210 /nfs/dbraw/zinc/42/62/10/342426210.db2.gz ZHTLNOLSSIZQQO-UHFFFAOYSA-N 1 2 281.312 1.386 10 5 CDBELO CC(C)(C)[N@@H+](CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093759150 342426211 /nfs/dbraw/zinc/42/62/11/342426211.db2.gz ZHTLNOLSSIZQQO-UHFFFAOYSA-N 1 2 281.312 1.386 10 5 CDBELO CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597947219 343676285 /nfs/dbraw/zinc/67/62/85/343676285.db2.gz VVPSFXVGTKWVRB-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597947219 343676286 /nfs/dbraw/zinc/67/62/86/343676286.db2.gz VVPSFXVGTKWVRB-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO Cc1sc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598944455 343924513 /nfs/dbraw/zinc/92/45/13/343924513.db2.gz NGXYPPLKMNFYKX-MRVPVSSYSA-N 1 2 292.320 1.516 10 5 CDBELO Cc1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc([N+](=O)[O-])c1 ZINC000598944663 343925275 /nfs/dbraw/zinc/92/52/75/343925275.db2.gz SMYQYTIELGOGDN-NSHDSACASA-N 1 2 286.291 1.454 10 5 CDBELO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000293165452 362533449 /nfs/dbraw/zinc/53/34/49/362533449.db2.gz VXPQADZXKIEYJJ-UWVGGRQHSA-N 1 2 293.323 1.882 10 5 CDBELO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000293165452 362533454 /nfs/dbraw/zinc/53/34/54/362533454.db2.gz VXPQADZXKIEYJJ-UWVGGRQHSA-N 1 2 293.323 1.882 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000066745791 348997314 /nfs/dbraw/zinc/99/73/14/348997314.db2.gz NOBKHVDNVWZDSS-ZDUSSCGKSA-N 1 2 292.339 1.573 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000066745791 348997315 /nfs/dbraw/zinc/99/73/15/348997315.db2.gz NOBKHVDNVWZDSS-ZDUSSCGKSA-N 1 2 292.339 1.573 10 5 CDBELO Cc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)on1 ZINC001659774117 1172135838 /nfs/dbraw/zinc/13/58/38/1172135838.db2.gz VAMCVJRGXHQXAH-AWEZNQCLSA-N 1 2 291.307 1.889 10 5 CDBELO C[NH+](C)C1CC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000619872739 350867088 /nfs/dbraw/zinc/86/70/88/350867088.db2.gz IXNWYTAUAZMSMC-UHFFFAOYSA-N 1 2 279.296 1.123 10 5 CDBELO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1C ZINC000065494083 363290667 /nfs/dbraw/zinc/29/06/67/363290667.db2.gz PKIPUXAMPBCZMY-JQWIXIFHSA-N 1 2 293.323 1.331 10 5 CDBELO CCCC[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338959340 359247144 /nfs/dbraw/zinc/24/71/44/359247144.db2.gz FYBPOWPHPDXVMC-UHFFFAOYSA-N 1 2 268.313 1.895 10 5 CDBELO CCCC[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338959340 359247147 /nfs/dbraw/zinc/24/71/47/359247147.db2.gz FYBPOWPHPDXVMC-UHFFFAOYSA-N 1 2 268.313 1.895 10 5 CDBELO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000276623650 363960306 /nfs/dbraw/zinc/96/03/06/363960306.db2.gz FIHOESVQQSVAEE-SECBINFHSA-N 1 2 261.285 1.574 10 5 CDBELO NC(=O)N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000270654730 366917093 /nfs/dbraw/zinc/91/70/93/366917093.db2.gz JKZPCVIMUBSNAZ-VIFPVBQESA-N 1 2 298.730 1.491 10 5 CDBELO NC(=O)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000270654730 366917095 /nfs/dbraw/zinc/91/70/95/366917095.db2.gz JKZPCVIMUBSNAZ-VIFPVBQESA-N 1 2 298.730 1.491 10 5 CDBELO CC[N@@H+](CC(=O)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655491 373417343 /nfs/dbraw/zinc/41/73/43/373417343.db2.gz OBDMKHDMCVZVBF-GFCCVEGCSA-N 1 2 282.296 1.123 10 5 CDBELO CC[N@H+](CC(=O)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655491 373417345 /nfs/dbraw/zinc/41/73/45/373417345.db2.gz OBDMKHDMCVZVBF-GFCCVEGCSA-N 1 2 282.296 1.123 10 5 CDBELO COc1cc(C[N@H+](C)CC(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000351970754 375052676 /nfs/dbraw/zinc/05/26/76/375052676.db2.gz IPBYXHFWBVCWRQ-UHFFFAOYSA-N 1 2 293.323 1.314 10 5 CDBELO COc1cc(C[N@@H+](C)CC(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000351970754 375052684 /nfs/dbraw/zinc/05/26/84/375052684.db2.gz IPBYXHFWBVCWRQ-UHFFFAOYSA-N 1 2 293.323 1.314 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000190236242 377571623 /nfs/dbraw/zinc/57/16/23/377571623.db2.gz YPPWUMIYJOBBKJ-CYBMUJFWSA-N 1 2 293.367 1.402 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000190236242 377571630 /nfs/dbraw/zinc/57/16/30/377571630.db2.gz YPPWUMIYJOBBKJ-CYBMUJFWSA-N 1 2 293.367 1.402 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(N3CCn4c[nH+]cc4C3)nc2c1 ZINC000357541898 285151038 /nfs/dbraw/zinc/15/10/38/285151038.db2.gz ALFONEGWARJJCB-UHFFFAOYSA-N 1 2 284.279 1.688 10 5 CDBELO Nc1c(Cl)cc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000080634193 177684027 /nfs/dbraw/zinc/68/40/27/177684027.db2.gz VHQPPQFQOAQANT-UHFFFAOYSA-N 1 2 295.686 1.484 10 5 CDBELO C[C@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450818121 390556774 /nfs/dbraw/zinc/55/67/74/390556774.db2.gz HOUKEAOGRIKDLD-WCBMZHEXSA-N 1 2 259.269 1.726 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412093317 391122296 /nfs/dbraw/zinc/12/22/96/391122296.db2.gz QWNOYVAABISKRJ-RISCZKNCSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412093317 391122299 /nfs/dbraw/zinc/12/22/99/391122299.db2.gz QWNOYVAABISKRJ-RISCZKNCSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000282067701 393170065 /nfs/dbraw/zinc/17/00/65/393170065.db2.gz GZCLTWDPLRAICF-LLVKDONJSA-N 1 2 293.323 1.136 10 5 CDBELO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000282067701 393170069 /nfs/dbraw/zinc/17/00/69/393170069.db2.gz GZCLTWDPLRAICF-LLVKDONJSA-N 1 2 293.323 1.136 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000408446832 292288512 /nfs/dbraw/zinc/28/85/12/292288512.db2.gz RGBAUFKGRFIEKJ-ZDUSSCGKSA-N 1 2 291.351 1.814 10 5 CDBELO CC1CC[NH+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000037332103 173133546 /nfs/dbraw/zinc/13/35/46/173133546.db2.gz ZVARHHKDWGIGPQ-UHFFFAOYSA-N 1 2 251.286 1.838 10 5 CDBELO COC(=O)[C@@H]([NH3+])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000044327462 175163350 /nfs/dbraw/zinc/16/33/50/175163350.db2.gz LCJQUKSBKMHWQA-QMMMGPOBSA-N 1 2 258.661 1.291 10 5 CDBELO Cn1cc[nH+]c1CNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000071273396 176105123 /nfs/dbraw/zinc/10/51/23/176105123.db2.gz VSMYWYMMKBAKNS-UHFFFAOYSA-N 1 2 282.250 1.896 10 5 CDBELO Cn1ccnc1C[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000071273396 176105124 /nfs/dbraw/zinc/10/51/24/176105124.db2.gz VSMYWYMMKBAKNS-UHFFFAOYSA-N 1 2 282.250 1.896 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCOC[C@H]1C ZINC000521370314 260088760 /nfs/dbraw/zinc/08/87/60/260088760.db2.gz PXBXLAAHPFELGQ-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCOC[C@H]1C ZINC000521370314 260088762 /nfs/dbraw/zinc/08/87/62/260088762.db2.gz PXBXLAAHPFELGQ-LLVKDONJSA-N 1 2 295.339 1.736 10 5 CDBELO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000229980350 279345259 /nfs/dbraw/zinc/34/52/59/279345259.db2.gz NEHPRXZAMHYUKV-SECBINFHSA-N 1 2 293.323 1.513 10 5 CDBELO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000229980350 279345260 /nfs/dbraw/zinc/34/52/60/279345260.db2.gz NEHPRXZAMHYUKV-SECBINFHSA-N 1 2 293.323 1.513 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ccc(N)cc1[N+](=O)[O-])CC2 ZINC000376404032 302324385 /nfs/dbraw/zinc/32/43/85/302324385.db2.gz TVNZFWOKBGCTSV-UHFFFAOYSA-N 1 2 273.296 1.702 10 5 CDBELO CCOC(=O)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726435 521023011 /nfs/dbraw/zinc/02/30/11/521023011.db2.gz HCQTZTPIBFSWKO-SNVBAGLBSA-N 1 2 266.297 1.679 10 5 CDBELO CCNC(=O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050816408 521736101 /nfs/dbraw/zinc/73/61/01/521736101.db2.gz YKYTYAASICFOPM-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCNC(=O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1NCC ZINC000050816408 521736102 /nfs/dbraw/zinc/73/61/02/521736102.db2.gz YKYTYAASICFOPM-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCNC(=O)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339328758 521744433 /nfs/dbraw/zinc/74/44/33/521744433.db2.gz KNMQQCOITBDJTB-ZDUSSCGKSA-N 1 2 295.339 1.551 10 5 CDBELO COc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338622488 522393830 /nfs/dbraw/zinc/39/38/30/522393830.db2.gz CXKHNSYMVUGFCY-ZDUSSCGKSA-N 1 2 284.287 1.510 10 5 CDBELO COc1cc(C[N@H+]2CC[C@@](F)(CO)C2)ccc1[N+](=O)[O-] ZINC000338622488 522393837 /nfs/dbraw/zinc/39/38/37/522393837.db2.gz CXKHNSYMVUGFCY-ZDUSSCGKSA-N 1 2 284.287 1.510 10 5 CDBELO C[N@@H+]1CCO[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000121159706 536445404 /nfs/dbraw/zinc/44/54/04/536445404.db2.gz FQBMICZUWQBFRO-QWRGUYRKSA-N 1 2 283.353 1.171 10 5 CDBELO C[N@H+]1CCO[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000121159706 536445407 /nfs/dbraw/zinc/44/54/07/536445407.db2.gz FQBMICZUWQBFRO-QWRGUYRKSA-N 1 2 283.353 1.171 10 5 CDBELO CCCONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001627511786 1166001634 /nfs/dbraw/zinc/00/16/34/1166001634.db2.gz MOGFKYKWQALUEF-UHFFFAOYSA-N 1 2 290.279 1.852 10 5 CDBELO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2N)cc[nH+]1 ZINC001627959513 1166025775 /nfs/dbraw/zinc/02/57/75/1166025775.db2.gz LVVLURMVXWOXPQ-UHFFFAOYSA-N 1 2 272.264 1.555 10 5 CDBELO O=C1OCC[C@@]12CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC001660693994 1172257551 /nfs/dbraw/zinc/25/75/51/1172257551.db2.gz HSWPWIIZENIICU-CQSZACIVSA-N 1 2 292.291 1.439 10 5 CDBELO O=C1OCC[C@@]12CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC001660693994 1172257557 /nfs/dbraw/zinc/25/75/57/1172257557.db2.gz HSWPWIIZENIICU-CQSZACIVSA-N 1 2 292.291 1.439 10 5 CDBELO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000715833907 726186059 /nfs/dbraw/zinc/18/60/59/726186059.db2.gz BNNKDAGMJGNMHI-VIFPVBQESA-N 1 2 261.285 1.574 10 5 CDBELO Cn1c[nH+]c(CCNc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC000865868195 727402259 /nfs/dbraw/zinc/40/22/59/727402259.db2.gz LBKIAMYENCSHTE-UHFFFAOYSA-N 1 2 294.286 1.614 10 5 CDBELO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814036079 727863609 /nfs/dbraw/zinc/86/36/09/727863609.db2.gz GHIRSMHLENCYIS-DGCLKSJQSA-N 1 2 280.324 1.888 10 5 CDBELO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814036079 727863611 /nfs/dbraw/zinc/86/36/11/727863611.db2.gz GHIRSMHLENCYIS-DGCLKSJQSA-N 1 2 280.324 1.888 10 5 CDBELO CCc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cc2N)c[nH+]1 ZINC001178669601 915554747 /nfs/dbraw/zinc/55/47/47/915554747.db2.gz KLYLOWWYRWSWGJ-UHFFFAOYSA-N 1 2 289.295 1.393 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)[nH+]1 ZINC001178669601 915554758 /nfs/dbraw/zinc/55/47/58/915554758.db2.gz KLYLOWWYRWSWGJ-UHFFFAOYSA-N 1 2 289.295 1.393 10 5 CDBELO O=C(Nc1c[nH+]ccc1Nc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001144349436 931769910 /nfs/dbraw/zinc/76/99/10/931769910.db2.gz KZSGHUNVJXTNKN-BXUZGUMPSA-N 1 2 298.302 1.851 10 5 CDBELO O=C(Nc1c[nH+]ccc1Nc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001144349436 931769914 /nfs/dbraw/zinc/76/99/14/931769914.db2.gz KZSGHUNVJXTNKN-BXUZGUMPSA-N 1 2 298.302 1.851 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH+]cn1C ZINC001290161259 954034291 /nfs/dbraw/zinc/03/42/91/954034291.db2.gz PCJGQOFEBBHYNW-UHFFFAOYSA-N 1 2 274.280 1.818 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000601131419 342474746 /nfs/dbraw/zinc/47/47/46/342474746.db2.gz JXVFOHBJHYEHOX-NSHDSACASA-N 1 2 296.302 1.040 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000601131418 342474764 /nfs/dbraw/zinc/47/47/64/342474764.db2.gz JXVFOHBJHYEHOX-LLVKDONJSA-N 1 2 296.302 1.040 10 5 CDBELO O=C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCN1 ZINC000599040599 343943604 /nfs/dbraw/zinc/94/36/04/343943604.db2.gz LCTXQQYVUMUWSC-UHFFFAOYSA-N 1 2 286.291 1.469 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000093839615 345629047 /nfs/dbraw/zinc/62/90/47/345629047.db2.gz KUTHTKUJHQUFQQ-SNVBAGLBSA-N 1 2 266.297 1.769 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000093839615 345629050 /nfs/dbraw/zinc/62/90/50/345629050.db2.gz KUTHTKUJHQUFQQ-SNVBAGLBSA-N 1 2 266.297 1.769 10 5 CDBELO [NH3+][C@]1(c2nc(-c3ccccc3[N+](=O)[O-])no2)CCOC1 ZINC000085851779 179188180 /nfs/dbraw/zinc/18/81/80/179188180.db2.gz QRIDIZZCNFSATG-GFCCVEGCSA-N 1 2 276.252 1.219 10 5 CDBELO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)cn1 ZINC000072883689 349138311 /nfs/dbraw/zinc/13/83/11/349138311.db2.gz BDHGPLHFYSDHSE-UHFFFAOYSA-N 1 2 259.269 1.909 10 5 CDBELO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2(F)CC2)CC1 ZINC000515992584 362981098 /nfs/dbraw/zinc/98/10/98/362981098.db2.gz KSMAJGKHWJHDJV-UHFFFAOYSA-N 1 2 280.303 1.614 10 5 CDBELO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339126671 291220013 /nfs/dbraw/zinc/22/00/13/291220013.db2.gz SWHBFKIPEANMPR-NOZJJQNGSA-N 1 2 266.297 1.958 10 5 CDBELO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cc[nH]n1 ZINC000358199665 360807804 /nfs/dbraw/zinc/80/78/04/360807804.db2.gz WHOOZRAQMIADHB-UHFFFAOYSA-N 1 2 276.296 1.829 10 5 CDBELO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cc[nH]n1 ZINC000358199665 360807810 /nfs/dbraw/zinc/80/78/10/360807810.db2.gz WHOOZRAQMIADHB-UHFFFAOYSA-N 1 2 276.296 1.829 10 5 CDBELO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000330606797 203029041 /nfs/dbraw/zinc/02/90/41/203029041.db2.gz JCWCRZZATJVWHZ-LBPRGKRZSA-N 1 2 298.364 1.461 10 5 CDBELO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000330606797 203029045 /nfs/dbraw/zinc/02/90/45/203029045.db2.gz JCWCRZZATJVWHZ-LBPRGKRZSA-N 1 2 298.364 1.461 10 5 CDBELO COc1cc(F)c([N+](=O)[O-])c(NCC[NH+]2CCOCC2)c1 ZINC000301333496 373508839 /nfs/dbraw/zinc/50/88/39/373508839.db2.gz FIBRIIAVUFSBPH-UHFFFAOYSA-N 1 2 299.302 1.487 10 5 CDBELO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282113720 375065871 /nfs/dbraw/zinc/06/58/71/375065871.db2.gz JDHDEEUNIPCIOA-NSHDSACASA-N 1 2 293.323 1.136 10 5 CDBELO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282113720 375065875 /nfs/dbraw/zinc/06/58/75/375065875.db2.gz JDHDEEUNIPCIOA-NSHDSACASA-N 1 2 293.323 1.136 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000266137647 190233248 /nfs/dbraw/zinc/23/32/48/190233248.db2.gz ZNCMRQXBXOMHCW-UHFFFAOYSA-N 1 2 289.335 1.823 10 5 CDBELO CC[N@@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000341793300 130032830 /nfs/dbraw/zinc/03/28/30/130032830.db2.gz WUJUBXNBLYKJJN-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO CC[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000341793300 130032831 /nfs/dbraw/zinc/03/28/31/130032831.db2.gz WUJUBXNBLYKJJN-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cocn3)C2)nc1 ZINC000191944648 391986094 /nfs/dbraw/zinc/98/60/94/391986094.db2.gz FGBWVEZOORHWND-SNVBAGLBSA-N 1 2 289.295 1.664 10 5 CDBELO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cocn3)C2)nc1 ZINC000191944648 391986102 /nfs/dbraw/zinc/98/61/02/391986102.db2.gz FGBWVEZOORHWND-SNVBAGLBSA-N 1 2 289.295 1.664 10 5 CDBELO CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000281216998 393155793 /nfs/dbraw/zinc/15/57/93/393155793.db2.gz RAOGCZHJTAQJJG-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO COC(=O)[C@H](C1CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000359598412 158304483 /nfs/dbraw/zinc/30/44/83/158304483.db2.gz AHSOHGXXMRQQEP-ZDUSSCGKSA-N 1 2 278.308 1.978 10 5 CDBELO COC(=O)[C@H](C1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000359598412 158304487 /nfs/dbraw/zinc/30/44/87/158304487.db2.gz AHSOHGXXMRQQEP-ZDUSSCGKSA-N 1 2 278.308 1.978 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)nc1NCC[NH+]1CCOCC1 ZINC000037331826 173133736 /nfs/dbraw/zinc/13/37/36/173133736.db2.gz SQUUJTWQCSDXNP-UHFFFAOYSA-N 1 2 286.719 1.387 10 5 CDBELO C[NH2+][C@@H](CCOc1cc(F)ccc1[N+](=O)[O-])C(=O)OC ZINC000062540169 522345227 /nfs/dbraw/zinc/34/52/27/522345227.db2.gz XTQQOMLOJMDCQU-VIFPVBQESA-N 1 2 286.259 1.264 10 5 CDBELO COC(=O)[C@@H]([NH3+])COc1cc([N+](=O)[O-])ccc1Cl ZINC000069507971 523599570 /nfs/dbraw/zinc/59/95/70/523599570.db2.gz WERXEWIZEHKOMF-QMMMGPOBSA-N 1 2 274.660 1.127 10 5 CDBELO Cc1ccc(NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000061700675 525279403 /nfs/dbraw/zinc/27/94/03/525279403.db2.gz WHVZZLNLAKWIPV-UHFFFAOYSA-N 1 2 265.313 1.647 10 5 CDBELO NNc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000051122437 527283298 /nfs/dbraw/zinc/28/32/98/527283298.db2.gz RDMUHEKOBHJICC-UHFFFAOYSA-N 1 2 273.252 1.528 10 5 CDBELO Nc1[nH+]cnc2c1cnn2-c1ccccc1[N+](=O)[O-] ZINC000062366833 527574288 /nfs/dbraw/zinc/57/42/88/527574288.db2.gz RQYIJVHHNRKQQD-UHFFFAOYSA-N 1 2 256.225 1.306 10 5 CDBELO Nc1ccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c[nH+]1 ZINC000917483228 632221664 /nfs/dbraw/zinc/22/16/64/632221664.db2.gz BMBLOXRQEJYZOV-UHFFFAOYSA-N 1 2 259.269 1.694 10 5 CDBELO Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)c(N)c1[N+](=O)[O-] ZINC001639997520 1166980139 /nfs/dbraw/zinc/98/01/39/1166980139.db2.gz RJNYBPCOYCDBOK-SECBINFHSA-N 1 2 289.295 1.882 10 5 CDBELO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802241817 729006922 /nfs/dbraw/zinc/00/69/22/729006922.db2.gz AYSQXFRNPWZYPL-JTQLQIEISA-N 1 2 285.275 1.134 10 5 CDBELO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802241817 729006924 /nfs/dbraw/zinc/00/69/24/729006924.db2.gz AYSQXFRNPWZYPL-JTQLQIEISA-N 1 2 285.275 1.134 10 5 CDBELO Cc1cnc(CC[N@@H+](C)Cn2nccc2[N+](=O)[O-])s1 ZINC000165199782 729057457 /nfs/dbraw/zinc/05/74/57/729057457.db2.gz POHZFPOEBMZXOX-UHFFFAOYSA-N 1 2 281.341 1.688 10 5 CDBELO Cc1cnc(CC[N@H+](C)Cn2nccc2[N+](=O)[O-])s1 ZINC000165199782 729057460 /nfs/dbraw/zinc/05/74/60/729057460.db2.gz POHZFPOEBMZXOX-UHFFFAOYSA-N 1 2 281.341 1.688 10 5 CDBELO C[C@H]([NH2+]Cc1cnnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071562 729212197 /nfs/dbraw/zinc/21/21/97/729212197.db2.gz RGUSDVQCRLNAFJ-QMMMGPOBSA-N 1 2 279.275 1.713 10 5 CDBELO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCn2c[nH+]cc21 ZINC000857990641 729734149 /nfs/dbraw/zinc/73/41/49/729734149.db2.gz QJFNOVKJVFOBGH-NSHDSACASA-N 1 2 286.291 1.595 10 5 CDBELO C[N@@H+](Cc1ncccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001197304115 925112095 /nfs/dbraw/zinc/11/20/95/925112095.db2.gz IILMBRCCGVDROT-CYBMUJFWSA-N 1 2 288.307 1.550 10 5 CDBELO C[N@H+](Cc1ncccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001197304115 925112099 /nfs/dbraw/zinc/11/20/99/925112099.db2.gz IILMBRCCGVDROT-CYBMUJFWSA-N 1 2 288.307 1.550 10 5 CDBELO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991947 928793613 /nfs/dbraw/zinc/79/36/13/928793613.db2.gz QDTRYRZITZCQRG-GFCCVEGCSA-N 1 2 286.291 1.595 10 5 CDBELO Cn1c[nH+]cc1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001532594599 969350388 /nfs/dbraw/zinc/35/03/88/969350388.db2.gz YTTBJHYUUJYPIH-UHFFFAOYSA-N 1 2 292.270 1.326 10 5 CDBELO CCC[N@H+](CC(=O)NC)Cc1csc([N+](=O)[O-])c1 ZINC000056509218 342236586 /nfs/dbraw/zinc/23/65/86/342236586.db2.gz PMWIATWDWQKSCT-UHFFFAOYSA-N 1 2 271.342 1.614 10 5 CDBELO CCC[N@@H+](CC(=O)NC)Cc1csc([N+](=O)[O-])c1 ZINC000056509218 342236587 /nfs/dbraw/zinc/23/65/87/342236587.db2.gz PMWIATWDWQKSCT-UHFFFAOYSA-N 1 2 271.342 1.614 10 5 CDBELO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000594401833 342900230 /nfs/dbraw/zinc/90/02/30/342900230.db2.gz IVKSHTIFNDDRGN-AOOOYVTPSA-N 1 2 293.323 1.370 10 5 CDBELO COCc1n[nH]c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000594968202 342991574 /nfs/dbraw/zinc/99/15/74/342991574.db2.gz DZPSZWNYCCLTET-UHFFFAOYSA-N 1 2 277.284 1.149 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595737014 343135657 /nfs/dbraw/zinc/13/56/57/343135657.db2.gz PCSGQHGSQUYFIY-LBPRGKRZSA-N 1 2 282.296 1.148 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595737014 343135658 /nfs/dbraw/zinc/13/56/58/343135658.db2.gz PCSGQHGSQUYFIY-LBPRGKRZSA-N 1 2 282.296 1.148 10 5 CDBELO CCO[C@H]1C[C@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000596436330 343321443 /nfs/dbraw/zinc/32/14/43/343321443.db2.gz LQDJELFRDPPGEA-CZMCAQCFSA-N 1 2 276.296 1.872 10 5 CDBELO CN(CCOCCO)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599073916 343949456 /nfs/dbraw/zinc/94/94/56/343949456.db2.gz MKJBZEMFQKLQJS-UHFFFAOYSA-N 1 2 291.307 1.588 10 5 CDBELO O=[N+]([O-])c1c(NC2COCCOC2)ccc2c[nH+]ccc21 ZINC000599080859 343956597 /nfs/dbraw/zinc/95/65/97/343956597.db2.gz KWGSYHLRNRTJNI-UHFFFAOYSA-N 1 2 289.291 1.970 10 5 CDBELO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000515350874 362302233 /nfs/dbraw/zinc/30/22/33/362302233.db2.gz IHRDMZXVNICQHK-CPCISQLKSA-N 1 2 267.285 1.612 10 5 CDBELO CCCC[N@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000054175002 347817812 /nfs/dbraw/zinc/81/78/12/347817812.db2.gz ZANAQXPERMANIC-UHFFFAOYSA-N 1 2 271.342 1.744 10 5 CDBELO CCCC[N@@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000054175002 347817813 /nfs/dbraw/zinc/81/78/13/347817813.db2.gz ZANAQXPERMANIC-UHFFFAOYSA-N 1 2 271.342 1.744 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000411916241 363375052 /nfs/dbraw/zinc/37/50/52/363375052.db2.gz VHTLAJIARJTTBU-UHFFFAOYSA-N 1 2 281.287 1.444 10 5 CDBELO CN1CC[NH+]([C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000725272194 538462785 /nfs/dbraw/zinc/46/27/85/538462785.db2.gz ZXEOWSIJGNCFKJ-ZDUSSCGKSA-N 1 2 261.325 1.830 10 5 CDBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000339087975 359292842 /nfs/dbraw/zinc/29/28/42/359292842.db2.gz GXQDTBWWHYGFEX-QMMMGPOBSA-N 1 2 262.269 1.874 10 5 CDBELO COc1ccc(C[NH2+]Cc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000112343980 360524464 /nfs/dbraw/zinc/52/44/64/360524464.db2.gz VXWYAKWAKWPPJJ-UHFFFAOYSA-N 1 2 276.296 1.627 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C)C(=O)C1 ZINC000191661045 373506905 /nfs/dbraw/zinc/50/69/05/373506905.db2.gz MCJICRVHHUXMDP-UHFFFAOYSA-N 1 2 277.324 1.567 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191661045 373506912 /nfs/dbraw/zinc/50/69/12/373506912.db2.gz MCJICRVHHUXMDP-UHFFFAOYSA-N 1 2 277.324 1.567 10 5 CDBELO CCOc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000114123991 374295853 /nfs/dbraw/zinc/29/58/53/374295853.db2.gz OYVCECKITKFXBV-UHFFFAOYSA-N 1 2 290.279 1.647 10 5 CDBELO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000294123110 375694341 /nfs/dbraw/zinc/69/43/41/375694341.db2.gz ZUNQRRHMTVXZSR-AOOOYVTPSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000294123110 375694347 /nfs/dbraw/zinc/69/43/47/375694347.db2.gz ZUNQRRHMTVXZSR-AOOOYVTPSA-N 1 2 293.323 1.465 10 5 CDBELO Cn1c[nH+]cc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357601051 375919888 /nfs/dbraw/zinc/91/98/88/375919888.db2.gz YFLHSGVFZKJZPP-UHFFFAOYSA-N 1 2 275.268 1.039 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451423453 285155617 /nfs/dbraw/zinc/15/56/17/285155617.db2.gz FAHAANRRDPUQIP-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451423453 285155620 /nfs/dbraw/zinc/15/56/20/285155620.db2.gz FAHAANRRDPUQIP-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO C[C@@H]([N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)O ZINC000451364962 390614185 /nfs/dbraw/zinc/61/41/85/390614185.db2.gz DKDXKIPNZPKGBJ-SECBINFHSA-N 1 2 268.313 1.892 10 5 CDBELO C[C@@H]([N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)O ZINC000451364962 390614189 /nfs/dbraw/zinc/61/41/89/390614189.db2.gz DKDXKIPNZPKGBJ-SECBINFHSA-N 1 2 268.313 1.892 10 5 CDBELO C[C@H](O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000412090035 391120705 /nfs/dbraw/zinc/12/07/05/391120705.db2.gz YMRXVHDBMPKKSF-GWCFXTLKSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000412090035 391120707 /nfs/dbraw/zinc/12/07/07/391120707.db2.gz YMRXVHDBMPKKSF-GWCFXTLKSA-N 1 2 266.297 1.176 10 5 CDBELO COC(=O)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000358809754 158036101 /nfs/dbraw/zinc/03/61/01/158036101.db2.gz FQXVXUPOKVAPIU-ZDUSSCGKSA-N 1 2 278.308 1.679 10 5 CDBELO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000038106746 174120527 /nfs/dbraw/zinc/12/05/27/174120527.db2.gz WRZHNZFKPAIHEG-UHFFFAOYSA-N 1 2 293.298 1.654 10 5 CDBELO CN(C)c1nc[nH+]c(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040608553 174353149 /nfs/dbraw/zinc/35/31/49/174353149.db2.gz POEFVWJMFASJJY-UHFFFAOYSA-N 1 2 254.294 1.166 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000078723563 177375555 /nfs/dbraw/zinc/37/55/55/177375555.db2.gz YAJYSRRHLZKMEL-UHFFFAOYSA-N 1 2 290.279 1.299 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000078723563 177375557 /nfs/dbraw/zinc/37/55/57/177375557.db2.gz YAJYSRRHLZKMEL-UHFFFAOYSA-N 1 2 290.279 1.299 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCOC[C@@H]1C ZINC000521370315 260088490 /nfs/dbraw/zinc/08/84/90/260088490.db2.gz PXBXLAAHPFELGQ-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCOC[C@@H]1C ZINC000521370315 260088492 /nfs/dbraw/zinc/08/84/92/260088492.db2.gz PXBXLAAHPFELGQ-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO O=C1NCCC[C@H]1[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362377504 275023235 /nfs/dbraw/zinc/02/32/35/275023235.db2.gz CDLYJXALSNKOKK-CYBMUJFWSA-N 1 2 275.308 1.232 10 5 CDBELO O=C1NCCC[C@H]1[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362377504 275023236 /nfs/dbraw/zinc/02/32/36/275023236.db2.gz CDLYJXALSNKOKK-CYBMUJFWSA-N 1 2 275.308 1.232 10 5 CDBELO COc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000558643744 290410788 /nfs/dbraw/zinc/41/07/88/290410788.db2.gz ZPXSYDNSIRSDED-UHFFFAOYSA-N 1 2 290.279 1.116 10 5 CDBELO O=[N+]([O-])c1ccccc1Cc1noc(Cn2cc[nH+]c2)n1 ZINC000582639766 325013175 /nfs/dbraw/zinc/01/31/75/325013175.db2.gz IOHZUZWEHAVDSD-UHFFFAOYSA-N 1 2 285.263 1.813 10 5 CDBELO CC(C)(C)CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001692192419 1159114854 /nfs/dbraw/zinc/11/48/54/1159114854.db2.gz AHVXSRMYUOAPAW-VXGBXAGGSA-N 1 2 283.372 1.278 10 5 CDBELO CCOC(=O)[C@@](C)([NH3+])COc1ccc([N+](=O)[O-])cc1OC ZINC000050506132 521152708 /nfs/dbraw/zinc/15/27/08/521152708.db2.gz ZNBBPUQMZHMRRX-ZDUSSCGKSA-N 1 2 298.295 1.263 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)C(C)C ZINC000050816106 522645766 /nfs/dbraw/zinc/64/57/66/522645766.db2.gz OKLAQSKCAHUURV-UHFFFAOYSA-N 1 2 280.328 1.332 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)C(C)C ZINC000050816106 522645771 /nfs/dbraw/zinc/64/57/71/522645771.db2.gz OKLAQSKCAHUURV-UHFFFAOYSA-N 1 2 280.328 1.332 10 5 CDBELO COCC1CC[NH+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000070081474 522933866 /nfs/dbraw/zinc/93/38/66/522933866.db2.gz BEVWWKMWUVEPOU-UHFFFAOYSA-N 1 2 281.312 1.464 10 5 CDBELO COC(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061801017 523152492 /nfs/dbraw/zinc/15/24/92/523152492.db2.gz KNEFCTPVPMSHOV-SECBINFHSA-N 1 2 252.270 1.761 10 5 CDBELO COC(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061801017 523152503 /nfs/dbraw/zinc/15/25/03/523152503.db2.gz KNEFCTPVPMSHOV-SECBINFHSA-N 1 2 252.270 1.761 10 5 CDBELO Nc1nccc(C(=O)Nc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC001568609972 1169396111 /nfs/dbraw/zinc/39/61/11/1169396111.db2.gz CZFPVQGHUCQUSX-UHFFFAOYSA-N 1 2 298.262 1.472 10 5 CDBELO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccn3cc[nH+]c3c2)n1 ZINC001583150127 1172742449 /nfs/dbraw/zinc/74/24/49/1172742449.db2.gz GUAUGCWMTQWZCH-UHFFFAOYSA-N 1 2 286.251 1.228 10 5 CDBELO O=[N+]([O-])c1ccnn1Cc1[nH+]ccn1CC(F)F ZINC000871648073 732870849 /nfs/dbraw/zinc/87/08/49/732870849.db2.gz DXOQXZYYNZLJEB-UHFFFAOYSA-N 1 2 257.200 1.301 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c(F)c1 ZINC001640497655 1167030984 /nfs/dbraw/zinc/03/09/84/1167030984.db2.gz ZVIHLXVBHJXVSF-WPRPVWTQSA-N 1 2 284.266 1.361 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c(F)c1 ZINC001640497655 1167030989 /nfs/dbraw/zinc/03/09/89/1167030989.db2.gz ZVIHLXVBHJXVSF-WPRPVWTQSA-N 1 2 284.266 1.361 10 5 CDBELO Cc1nn(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000840144740 936940295 /nfs/dbraw/zinc/94/02/95/936940295.db2.gz NAFRLBILRFYGDI-CYBMUJFWSA-N 1 2 280.328 1.560 10 5 CDBELO Cc1nn(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000840144740 936940298 /nfs/dbraw/zinc/94/02/98/936940298.db2.gz NAFRLBILRFYGDI-CYBMUJFWSA-N 1 2 280.328 1.560 10 5 CDBELO CC(C)ONC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001556787153 965101025 /nfs/dbraw/zinc/10/10/25/965101025.db2.gz JNPVNGHEYMXMOR-UHFFFAOYSA-N 1 2 290.279 1.850 10 5 CDBELO Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC001446625471 966602180 /nfs/dbraw/zinc/60/21/80/966602180.db2.gz CSLSZCSVKNYNKI-UHFFFAOYSA-N 1 2 290.283 1.340 10 5 CDBELO Cc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cn2)[nH+]c1C ZINC001545362430 967419375 /nfs/dbraw/zinc/41/93/75/967419375.db2.gz WFMKKMRPLUYYOD-UHFFFAOYSA-N 1 2 275.268 1.260 10 5 CDBELO Cc1cccnc1[C@@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC001655077449 1171664991 /nfs/dbraw/zinc/66/49/91/1171664991.db2.gz YRQQCRREMMSQSB-SNVBAGLBSA-N 1 2 275.312 1.883 10 5 CDBELO CC1(C)C[N@H+](CCNc2ncc(F)cc2[N+](=O)[O-])CCO1 ZINC000601111846 342470603 /nfs/dbraw/zinc/47/06/03/342470603.db2.gz YIJKTRASKNBARH-UHFFFAOYSA-N 1 2 298.318 1.652 10 5 CDBELO CC1(C)C[N@@H+](CCNc2ncc(F)cc2[N+](=O)[O-])CCO1 ZINC000601111846 342470604 /nfs/dbraw/zinc/47/06/04/342470604.db2.gz YIJKTRASKNBARH-UHFFFAOYSA-N 1 2 298.318 1.652 10 5 CDBELO O=[N+]([O-])c1ccc2cc[nH+]c(NC3COCCOC3)c2c1 ZINC000591163029 342620402 /nfs/dbraw/zinc/62/04/02/342620402.db2.gz MIACONSIZFWVOL-UHFFFAOYSA-N 1 2 289.291 1.970 10 5 CDBELO CO[C@](C)(CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000594587905 342921979 /nfs/dbraw/zinc/92/19/79/342921979.db2.gz AZFFZXYHIYLUFS-AWEZNQCLSA-N 1 2 291.307 1.952 10 5 CDBELO Cc1noc(C[N@@H+](C)CC2(CO)CC2)c1[N+](=O)[O-] ZINC000595452158 343066546 /nfs/dbraw/zinc/06/65/46/343066546.db2.gz YXQXJHAHMOVGST-UHFFFAOYSA-N 1 2 255.274 1.096 10 5 CDBELO Cc1noc(C[N@H+](C)CC2(CO)CC2)c1[N+](=O)[O-] ZINC000595452158 343066547 /nfs/dbraw/zinc/06/65/47/343066547.db2.gz YXQXJHAHMOVGST-UHFFFAOYSA-N 1 2 255.274 1.096 10 5 CDBELO CC(C)Cn1cc[nH+]c1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596147101 343244059 /nfs/dbraw/zinc/24/40/59/343244059.db2.gz SLNFPDJRLVVNCM-UHFFFAOYSA-N 1 2 290.327 1.459 10 5 CDBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])s1 ZINC000598941834 343923825 /nfs/dbraw/zinc/92/38/25/343923825.db2.gz GILUSJGHIQGVEB-SSDOTTSWSA-N 1 2 278.293 1.208 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000598945367 343925250 /nfs/dbraw/zinc/92/52/50/343925250.db2.gz ZXFIDAYBSAVQDV-SNVBAGLBSA-N 1 2 286.291 1.454 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604510 346323242 /nfs/dbraw/zinc/32/32/42/346323242.db2.gz VRDLBKUFGTUQPM-PHIMTYICSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604510 346323243 /nfs/dbraw/zinc/32/32/43/346323243.db2.gz VRDLBKUFGTUQPM-PHIMTYICSA-N 1 2 286.715 1.176 10 5 CDBELO CCN1OC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000616016677 349244614 /nfs/dbraw/zinc/24/46/14/349244614.db2.gz BOFWMJUZGSMPQY-ZYHUDNBSSA-N 1 2 293.323 1.716 10 5 CDBELO CC1(C)C[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000566628257 358225929 /nfs/dbraw/zinc/22/59/29/358225929.db2.gz LECVGHDZNKQTSR-UHFFFAOYSA-N 1 2 289.335 1.826 10 5 CDBELO CNC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000180241320 189245575 /nfs/dbraw/zinc/24/55/75/189245575.db2.gz OGDVKSHSJSRFDO-MFKMUULPSA-N 1 2 293.323 1.103 10 5 CDBELO CNC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000180241320 189245576 /nfs/dbraw/zinc/24/55/76/189245576.db2.gz OGDVKSHSJSRFDO-MFKMUULPSA-N 1 2 293.323 1.103 10 5 CDBELO CC[N@@H+](CC(=O)OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655492 373417485 /nfs/dbraw/zinc/41/74/85/373417485.db2.gz OBDMKHDMCVZVBF-LBPRGKRZSA-N 1 2 282.296 1.123 10 5 CDBELO CC[N@H+](CC(=O)OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269655492 373417490 /nfs/dbraw/zinc/41/74/90/373417490.db2.gz OBDMKHDMCVZVBF-LBPRGKRZSA-N 1 2 282.296 1.123 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ncc([N+](=O)[O-])cc1C)CC2 ZINC000374723575 374489670 /nfs/dbraw/zinc/48/96/70/374489670.db2.gz ZAQAIWQTWNCMML-UHFFFAOYSA-N 1 2 273.296 1.823 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282335803 375080313 /nfs/dbraw/zinc/08/03/13/375080313.db2.gz VAXWNGBSKSPIBS-ZWNOBZJWSA-N 1 2 298.364 1.775 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282335803 375080320 /nfs/dbraw/zinc/08/03/20/375080320.db2.gz VAXWNGBSKSPIBS-ZWNOBZJWSA-N 1 2 298.364 1.775 10 5 CDBELO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490057072 393199664 /nfs/dbraw/zinc/19/96/64/393199664.db2.gz SOJRKTPOBGGVDN-LLVKDONJSA-N 1 2 298.314 1.971 10 5 CDBELO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490057072 393199669 /nfs/dbraw/zinc/19/96/69/393199669.db2.gz SOJRKTPOBGGVDN-LLVKDONJSA-N 1 2 298.314 1.971 10 5 CDBELO CC1(C)C[NH+](CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000561170939 293057262 /nfs/dbraw/zinc/05/72/62/293057262.db2.gz XUJUKLNLLHTSTE-UHFFFAOYSA-N 1 2 277.324 1.553 10 5 CDBELO Cc1cccc(CCNc2ccncc2[N+](=O)[O-])[nH+]1 ZINC000340862025 524353128 /nfs/dbraw/zinc/35/31/28/524353128.db2.gz FMCYITBWUILGAD-UHFFFAOYSA-N 1 2 258.281 1.770 10 5 CDBELO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000744435298 576680326 /nfs/dbraw/zinc/68/03/26/576680326.db2.gz DQGOCDHBHPIAGZ-BETUJISGSA-N 1 2 288.307 1.765 10 5 CDBELO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000744435298 576680328 /nfs/dbraw/zinc/68/03/28/576680328.db2.gz DQGOCDHBHPIAGZ-BETUJISGSA-N 1 2 288.307 1.765 10 5 CDBELO Cc1c(C[NH2+][C@@H](C)c2nnnn2C)cccc1[N+](=O)[O-] ZINC001655805651 1171725461 /nfs/dbraw/zinc/72/54/61/1171725461.db2.gz WRPBZPJGTGJSFU-VIFPVBQESA-N 1 2 276.300 1.278 10 5 CDBELO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000802240154 733867400 /nfs/dbraw/zinc/86/74/00/733867400.db2.gz PSKCEZSLNDHCGO-LBPRGKRZSA-N 1 2 282.271 1.795 10 5 CDBELO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000802240154 733867403 /nfs/dbraw/zinc/86/74/03/733867403.db2.gz PSKCEZSLNDHCGO-LBPRGKRZSA-N 1 2 282.271 1.795 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982795 733990100 /nfs/dbraw/zinc/99/01/00/733990100.db2.gz SFTWAEHQXKHUHZ-JTQLQIEISA-N 1 2 286.291 1.975 10 5 CDBELO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872059694 734634703 /nfs/dbraw/zinc/63/47/03/734634703.db2.gz HUOGTCNYDTVZOT-SECBINFHSA-N 1 2 295.314 1.911 10 5 CDBELO CC(C)(O)[C@H](O)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001615728157 1165558708 /nfs/dbraw/zinc/55/87/08/1165558708.db2.gz LUQLFOOGGZKGOB-GFCCVEGCSA-N 1 2 266.297 1.042 10 5 CDBELO Nc1[nH+]cccc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC001188950661 921238941 /nfs/dbraw/zinc/23/89/41/921238941.db2.gz ANRHKGFLTXYAKC-UHFFFAOYSA-N 1 2 280.671 1.435 10 5 CDBELO Cc1noc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])n1 ZINC001168980525 927568458 /nfs/dbraw/zinc/56/84/58/927568458.db2.gz KALZBLHXKUQOIO-SSDOTTSWSA-N 1 2 280.288 1.142 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589560617 342509157 /nfs/dbraw/zinc/50/91/57/342509157.db2.gz NKTMAPVSPMUQCK-VIFPVBQESA-N 1 2 291.311 1.366 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000611615779 346829087 /nfs/dbraw/zinc/82/90/87/346829087.db2.gz CVKMBFOOIUSAML-LBPRGKRZSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1cc[nH]c(=O)c1[N+](=O)[O-])CC2 ZINC000596190593 343252928 /nfs/dbraw/zinc/25/29/28/343252928.db2.gz WADRICHRZRNALM-UHFFFAOYSA-N 1 2 275.268 1.221 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598649069 343857833 /nfs/dbraw/zinc/85/78/33/343857833.db2.gz UZYZMHDWNAOERZ-ZYHUDNBSSA-N 1 2 280.324 1.751 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598649069 343857835 /nfs/dbraw/zinc/85/78/35/343857835.db2.gz UZYZMHDWNAOERZ-ZYHUDNBSSA-N 1 2 280.324 1.751 10 5 CDBELO COc1cc(NC[C@@H]2COCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000599159359 343970686 /nfs/dbraw/zinc/97/06/86/343970686.db2.gz ARIGNJCDIVXTIS-SECBINFHSA-N 1 2 299.302 1.485 10 5 CDBELO COc1cc(NC[C@@H]2COCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000599159359 343970689 /nfs/dbraw/zinc/97/06/89/343970689.db2.gz ARIGNJCDIVXTIS-SECBINFHSA-N 1 2 299.302 1.485 10 5 CDBELO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC2(F)F)nc1 ZINC000584648791 346506764 /nfs/dbraw/zinc/50/67/64/346506764.db2.gz OZJCNZQUCPREOM-MRVPVSSYSA-N 1 2 259.212 1.366 10 5 CDBELO CN(C)c1cc[nH+]c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000612346797 347124479 /nfs/dbraw/zinc/12/44/79/347124479.db2.gz YJZYYPAQRVWENV-UHFFFAOYSA-N 1 2 287.279 1.703 10 5 CDBELO O=C(NCCC[NH+]1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000294341215 199004868 /nfs/dbraw/zinc/00/48/68/199004868.db2.gz IQRXTKCLBZRICG-UHFFFAOYSA-N 1 2 293.323 1.516 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCOC[C@@H](O)C2)ccc1Cl ZINC000294834756 199204672 /nfs/dbraw/zinc/20/46/72/199204672.db2.gz QIPKCNNKDVQKQI-JTQLQIEISA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCOC[C@@H](O)C2)ccc1Cl ZINC000294834756 199204673 /nfs/dbraw/zinc/20/46/73/199204673.db2.gz QIPKCNNKDVQKQI-JTQLQIEISA-N 1 2 286.715 1.441 10 5 CDBELO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339086232 359288459 /nfs/dbraw/zinc/28/84/59/359288459.db2.gz YBLRQVCGBCMIST-VHSXEESVSA-N 1 2 296.323 1.978 10 5 CDBELO NC(=O)CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054175532 359759098 /nfs/dbraw/zinc/75/90/98/359759098.db2.gz MPQCDBGOUPTDSU-UHFFFAOYSA-N 1 2 283.353 1.744 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000293735855 364440755 /nfs/dbraw/zinc/44/07/55/364440755.db2.gz VFNRYWDEGLEFCC-LLVKDONJSA-N 1 2 296.323 1.833 10 5 CDBELO COC[C@H]1CC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000293735855 364440760 /nfs/dbraw/zinc/44/07/60/364440760.db2.gz VFNRYWDEGLEFCC-LLVKDONJSA-N 1 2 296.323 1.833 10 5 CDBELO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000368892054 374337079 /nfs/dbraw/zinc/33/70/79/374337079.db2.gz MUBQKNLPOGXQHZ-ZDUSSCGKSA-N 1 2 295.314 1.834 10 5 CDBELO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000368892054 374337081 /nfs/dbraw/zinc/33/70/81/374337081.db2.gz MUBQKNLPOGXQHZ-ZDUSSCGKSA-N 1 2 295.314 1.834 10 5 CDBELO C[C@@H](O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000425451270 374438617 /nfs/dbraw/zinc/43/86/17/374438617.db2.gz BETQUIMMKIKALC-SECBINFHSA-N 1 2 251.286 1.119 10 5 CDBELO C[C@@H](O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000425451270 374438624 /nfs/dbraw/zinc/43/86/24/374438624.db2.gz BETQUIMMKIKALC-SECBINFHSA-N 1 2 251.286 1.119 10 5 CDBELO CCNC(=O)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351972056 375070088 /nfs/dbraw/zinc/07/00/88/375070088.db2.gz ZTHCEXPYXYQYSE-UHFFFAOYSA-N 1 2 295.339 1.561 10 5 CDBELO CCNC(=O)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351972056 375070095 /nfs/dbraw/zinc/07/00/95/375070095.db2.gz ZTHCEXPYXYQYSE-UHFFFAOYSA-N 1 2 295.339 1.561 10 5 CDBELO Cn1c[nH+]cc1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000357598754 375920472 /nfs/dbraw/zinc/92/04/72/375920472.db2.gz RXYBEVMAJRBVQQ-UHFFFAOYSA-N 1 2 272.268 1.239 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCNC(=O)CC1 ZINC000175175918 379648391 /nfs/dbraw/zinc/64/83/91/379648391.db2.gz ZXFHPLLAPUUFBN-UHFFFAOYSA-N 1 2 293.323 1.315 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCNC(=O)CC1 ZINC000175175918 379648398 /nfs/dbraw/zinc/64/83/98/379648398.db2.gz ZXFHPLLAPUUFBN-UHFFFAOYSA-N 1 2 293.323 1.315 10 5 CDBELO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420995975 392924347 /nfs/dbraw/zinc/92/43/47/392924347.db2.gz AKZYHQVLCJIARJ-KOLCDFICSA-N 1 2 290.323 1.816 10 5 CDBELO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420995975 392924350 /nfs/dbraw/zinc/92/43/50/392924350.db2.gz AKZYHQVLCJIARJ-KOLCDFICSA-N 1 2 290.323 1.816 10 5 CDBELO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000346982289 153367630 /nfs/dbraw/zinc/36/76/30/153367630.db2.gz NFHBUKFOOUYTLE-PWSUYJOCSA-N 1 2 296.323 1.185 10 5 CDBELO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000346982289 153367632 /nfs/dbraw/zinc/36/76/32/153367632.db2.gz NFHBUKFOOUYTLE-PWSUYJOCSA-N 1 2 296.323 1.185 10 5 CDBELO CCOC1CC[NH+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000040689798 174376457 /nfs/dbraw/zinc/37/64/57/174376457.db2.gz IBZHTFFTCUOCQI-UHFFFAOYSA-N 1 2 281.312 1.607 10 5 CDBELO Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000071275992 176106883 /nfs/dbraw/zinc/10/68/83/176106883.db2.gz DGTSLYLPCSISQP-UHFFFAOYSA-N 1 2 278.243 1.397 10 5 CDBELO Cc1ccnc(NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC000313444798 260294501 /nfs/dbraw/zinc/29/45/01/260294501.db2.gz OLSRRYYCYNKEKP-UHFFFAOYSA-N 1 2 261.285 1.686 10 5 CDBELO CC[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000062540994 520193053 /nfs/dbraw/zinc/19/30/53/520193053.db2.gz JZTWLUYOTLXMOP-CYBMUJFWSA-N 1 2 296.323 1.905 10 5 CDBELO C[NH2+][C@H](CCSc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000062596648 522463875 /nfs/dbraw/zinc/46/38/75/522463875.db2.gz CXEQDAWNKYUFNV-LLVKDONJSA-N 1 2 284.337 1.838 10 5 CDBELO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000049403115 526811847 /nfs/dbraw/zinc/81/18/47/526811847.db2.gz ZVVBBKLNYBGLPM-UHFFFAOYSA-N 1 2 275.308 1.515 10 5 CDBELO CN(CC[NH+]1CCCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234291246 536370883 /nfs/dbraw/zinc/37/08/83/536370883.db2.gz GCWCFWMTXCRQFZ-UHFFFAOYSA-N 1 2 293.323 1.468 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761089181 576546316 /nfs/dbraw/zinc/54/63/16/576546316.db2.gz GVKFTZCJEMPXAE-GXFFZTMASA-N 1 2 275.308 1.936 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761089181 576546318 /nfs/dbraw/zinc/54/63/18/576546318.db2.gz GVKFTZCJEMPXAE-GXFFZTMASA-N 1 2 275.308 1.936 10 5 CDBELO Cn1nccc1C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000152207522 630931346 /nfs/dbraw/zinc/93/13/46/630931346.db2.gz SKBUWVWCSFFCLD-UHFFFAOYSA-N 1 2 290.327 1.362 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2c(C)c[nH+]cc2C)n1 ZINC001625884933 1159472313 /nfs/dbraw/zinc/47/23/13/1159472313.db2.gz XRDNIFBUYMKWDK-UHFFFAOYSA-N 1 2 286.291 1.984 10 5 CDBELO CC(C)(O)[C@H](O)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001615728157 1165558701 /nfs/dbraw/zinc/55/87/01/1165558701.db2.gz LUQLFOOGGZKGOB-GFCCVEGCSA-N 1 2 266.297 1.042 10 5 CDBELO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCn2c[nH+]cc2C1 ZINC001637135170 1166728222 /nfs/dbraw/zinc/72/82/22/1166728222.db2.gz WBOOGYNBWWPALA-UHFFFAOYSA-N 1 2 290.254 1.586 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1cn(C)c[nH+]1 ZINC001638685132 1166864657 /nfs/dbraw/zinc/86/46/57/1166864657.db2.gz LYCLQUVQKZRIDD-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1-n1cc[nH+]c1 ZINC001639195205 1166910009 /nfs/dbraw/zinc/91/00/09/1166910009.db2.gz RZDJCLKUQDDLFY-UHFFFAOYSA-N 1 2 272.264 1.673 10 5 CDBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1F ZINC001641143017 1167080155 /nfs/dbraw/zinc/08/01/55/1167080155.db2.gz XFUIJQZEIFEOHH-MRVPVSSYSA-N 1 2 290.254 1.285 10 5 CDBELO CCCNC(=O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017801 736848619 /nfs/dbraw/zinc/84/86/19/736848619.db2.gz FBJYYLVVCVZMMQ-SECBINFHSA-N 1 2 283.303 1.911 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840084097 736437567 /nfs/dbraw/zinc/43/75/67/736437567.db2.gz PYRTVRCFNVLPFY-JTQLQIEISA-N 1 2 291.311 1.326 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840084097 736437572 /nfs/dbraw/zinc/43/75/72/736437572.db2.gz PYRTVRCFNVLPFY-JTQLQIEISA-N 1 2 291.311 1.326 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857982648 737859060 /nfs/dbraw/zinc/85/90/60/737859060.db2.gz KVXQRCXQWNHQJH-NSHDSACASA-N 1 2 286.291 1.975 10 5 CDBELO CC(C)(CCC(=O)N[C@H]1CCn2cc[nH+]c2C1)[N+](=O)[O-] ZINC001138458493 936537960 /nfs/dbraw/zinc/53/79/60/936537960.db2.gz WWMFELVBLKIBHJ-JTQLQIEISA-N 1 2 280.328 1.150 10 5 CDBELO COCC[N@H+](CCF)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852481018 927796901 /nfs/dbraw/zinc/79/69/01/927796901.db2.gz FZLNXSAIBTZUBU-ZDUSSCGKSA-N 1 2 286.303 1.546 10 5 CDBELO COCC[N@@H+](CCF)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852481018 927796903 /nfs/dbraw/zinc/79/69/03/927796903.db2.gz FZLNXSAIBTZUBU-ZDUSSCGKSA-N 1 2 286.303 1.546 10 5 CDBELO COC(=O)Cc1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001559054879 965395927 /nfs/dbraw/zinc/39/59/27/965395927.db2.gz NLWSAULRSMSELX-UHFFFAOYSA-N 1 2 261.237 1.496 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC001543925949 967325920 /nfs/dbraw/zinc/32/59/20/967325920.db2.gz DMMDRWFJNCTTAS-JTQLQIEISA-N 1 2 289.295 1.313 10 5 CDBELO C[C@H]1C[N@H+](CCNc2ncc(F)cc2[N+](=O)[O-])CCO1 ZINC000601111350 342468752 /nfs/dbraw/zinc/46/87/52/342468752.db2.gz ODXBSQOICDGGJV-VIFPVBQESA-N 1 2 284.291 1.262 10 5 CDBELO C[C@H]1C[N@@H+](CCNc2ncc(F)cc2[N+](=O)[O-])CCO1 ZINC000601111350 342468753 /nfs/dbraw/zinc/46/87/53/342468753.db2.gz ODXBSQOICDGGJV-VIFPVBQESA-N 1 2 284.291 1.262 10 5 CDBELO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@H]2C1 ZINC000590445466 342546576 /nfs/dbraw/zinc/54/65/76/342546576.db2.gz MYRZWYBZDDHIGW-SKDRFNHKSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@H]2C1 ZINC000590445466 342546577 /nfs/dbraw/zinc/54/65/77/342546577.db2.gz MYRZWYBZDDHIGW-SKDRFNHKSA-N 1 2 291.307 1.077 10 5 CDBELO C[C@@]([NH3+])(c1cc([N+](=O)[O-])ccc1F)C(F)(F)CO ZINC000117682598 342049463 /nfs/dbraw/zinc/04/94/63/342049463.db2.gz HCCWBQPFGDPAHD-SECBINFHSA-N 1 2 264.203 1.535 10 5 CDBELO C[N@@H+]1CCO[C@H](CSc2ccncc2[N+](=O)[O-])C1 ZINC000591954010 342658244 /nfs/dbraw/zinc/65/82/44/342658244.db2.gz WWGSSNMDZXNWQW-VIFPVBQESA-N 1 2 269.326 1.413 10 5 CDBELO C[N@H+]1CCO[C@H](CSc2ccncc2[N+](=O)[O-])C1 ZINC000591954010 342658245 /nfs/dbraw/zinc/65/82/45/342658245.db2.gz WWGSSNMDZXNWQW-VIFPVBQESA-N 1 2 269.326 1.413 10 5 CDBELO COC(=O)CC1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595557725 343096963 /nfs/dbraw/zinc/09/69/63/343096963.db2.gz JAKPBIPOIJNBJX-UHFFFAOYSA-N 1 2 269.257 1.077 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3nccnc3C2)cc1 ZINC000595865270 343175651 /nfs/dbraw/zinc/17/56/51/343175651.db2.gz VRYRFBRKTNZPIE-UHFFFAOYSA-N 1 2 270.292 1.943 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCc3nccnc3C2)cc1 ZINC000595865270 343175654 /nfs/dbraw/zinc/17/56/54/343175654.db2.gz VRYRFBRKTNZPIE-UHFFFAOYSA-N 1 2 270.292 1.943 10 5 CDBELO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946315 343675916 /nfs/dbraw/zinc/67/59/16/343675916.db2.gz OCYPCVHEXATLIJ-LLVKDONJSA-N 1 2 293.323 1.467 10 5 CDBELO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946315 343675918 /nfs/dbraw/zinc/67/59/18/343675918.db2.gz OCYPCVHEXATLIJ-LLVKDONJSA-N 1 2 293.323 1.467 10 5 CDBELO O=[N+]([O-])c1c(NCCOCCO)ccc2c[nH+]ccc21 ZINC000599016192 343944489 /nfs/dbraw/zinc/94/44/89/343944489.db2.gz MSAPJDVMNHAZNL-UHFFFAOYSA-N 1 2 277.280 1.564 10 5 CDBELO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599084251 343958071 /nfs/dbraw/zinc/95/80/71/343958071.db2.gz QQNXUTJYSQTETD-GXFFZTMASA-N 1 2 293.323 1.232 10 5 CDBELO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599084251 343958073 /nfs/dbraw/zinc/95/80/73/343958073.db2.gz QQNXUTJYSQTETD-GXFFZTMASA-N 1 2 293.323 1.232 10 5 CDBELO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273470160 192164601 /nfs/dbraw/zinc/16/46/01/192164601.db2.gz RVSJFEPPPATGMT-CQSZACIVSA-N 1 2 296.298 1.990 10 5 CDBELO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273470160 192164603 /nfs/dbraw/zinc/16/46/03/192164603.db2.gz RVSJFEPPPATGMT-CQSZACIVSA-N 1 2 296.298 1.990 10 5 CDBELO CC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000338192198 359100341 /nfs/dbraw/zinc/10/03/41/359100341.db2.gz PPURYSYHJFAFIC-UHFFFAOYSA-N 1 2 286.291 1.872 10 5 CDBELO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000339137036 359299242 /nfs/dbraw/zinc/29/92/42/359299242.db2.gz PVJXGSATKCNRTD-GXTWGEPZSA-N 1 2 296.323 1.584 10 5 CDBELO [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000575121461 360839893 /nfs/dbraw/zinc/83/98/93/360839893.db2.gz RGWODDPHAVIKPN-LURJTMIESA-N 1 2 275.211 1.221 10 5 CDBELO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000270587426 366905736 /nfs/dbraw/zinc/90/57/36/366905736.db2.gz AZPPICBTCAMERQ-VIFPVBQESA-N 1 2 298.730 1.491 10 5 CDBELO NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000270587426 366905745 /nfs/dbraw/zinc/90/57/45/366905745.db2.gz AZPPICBTCAMERQ-VIFPVBQESA-N 1 2 298.730 1.491 10 5 CDBELO CCc1nc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)no1 ZINC000441253052 368796331 /nfs/dbraw/zinc/79/63/31/368796331.db2.gz KQYKGMGDJVOJMY-UHFFFAOYSA-N 1 2 294.315 1.262 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000339125366 285137529 /nfs/dbraw/zinc/13/75/29/285137529.db2.gz VAQDHNKCQUFZPV-GWCFXTLKSA-N 1 2 280.324 1.941 10 5 CDBELO COCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000190325326 130090038 /nfs/dbraw/zinc/09/00/38/130090038.db2.gz ITHAYGUNHTVIEI-SECBINFHSA-N 1 2 286.357 1.208 10 5 CDBELO COCC[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000190325326 130090040 /nfs/dbraw/zinc/09/00/40/130090040.db2.gz ITHAYGUNHTVIEI-SECBINFHSA-N 1 2 286.357 1.208 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000519647140 391812450 /nfs/dbraw/zinc/81/24/50/391812450.db2.gz PRFZEMRVWKUZMG-UHFFFAOYSA-N 1 2 291.307 1.269 10 5 CDBELO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000282015243 393166605 /nfs/dbraw/zinc/16/66/05/393166605.db2.gz DTEMPGRTVOVDFB-NSHDSACASA-N 1 2 293.323 1.136 10 5 CDBELO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000282015243 393166610 /nfs/dbraw/zinc/16/66/10/393166610.db2.gz DTEMPGRTVOVDFB-NSHDSACASA-N 1 2 293.323 1.136 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000185918873 140050408 /nfs/dbraw/zinc/05/04/08/140050408.db2.gz FRWWFEBFMWPFOK-AWEZNQCLSA-N 1 2 277.324 1.825 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000185918873 140050409 /nfs/dbraw/zinc/05/04/09/140050409.db2.gz FRWWFEBFMWPFOK-AWEZNQCLSA-N 1 2 277.324 1.825 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc(C(N)=O)no1 ZINC000350462643 154387642 /nfs/dbraw/zinc/38/76/42/154387642.db2.gz PSHMCMFEYMFOAJ-UHFFFAOYSA-N 1 2 290.279 1.280 10 5 CDBELO Cc1cc(NC(=O)[C@@H]2CSC[NH2+]2)ccc1[N+](=O)[O-] ZINC000043570224 175068057 /nfs/dbraw/zinc/06/80/57/175068057.db2.gz VOJCZZLPJRRWCI-VIFPVBQESA-N 1 2 267.310 1.504 10 5 CDBELO C[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000408193646 288071524 /nfs/dbraw/zinc/07/15/24/288071524.db2.gz SNOPVEINLLEKOD-MRVPVSSYSA-N 1 2 270.720 1.784 10 5 CDBELO C[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000408193646 288071530 /nfs/dbraw/zinc/07/15/30/288071530.db2.gz SNOPVEINLLEKOD-MRVPVSSYSA-N 1 2 270.720 1.784 10 5 CDBELO COc1cc(C[NH2+][C@H](C)c2nncn2C)ccc1[N+](=O)[O-] ZINC000494810618 280830900 /nfs/dbraw/zinc/83/09/00/280830900.db2.gz SSFDSXOCVVXPDW-SECBINFHSA-N 1 2 291.311 1.583 10 5 CDBELO CC[NH2+][C@@](C)(COc1ccc([N+](=O)[O-])c(C)c1)C(=O)OC ZINC000045462916 520137546 /nfs/dbraw/zinc/13/75/46/520137546.db2.gz REXVBHPCTSGXBL-AWEZNQCLSA-N 1 2 296.323 1.823 10 5 CDBELO CC[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000062541007 520193576 /nfs/dbraw/zinc/19/35/76/520193576.db2.gz QGVONTJOKOFGGM-GFCCVEGCSA-N 1 2 282.296 1.515 10 5 CDBELO CCOC(=O)[C@H](CCOc1ccccc1[N+](=O)[O-])[NH2+]C ZINC000062539502 521247634 /nfs/dbraw/zinc/24/76/34/521247634.db2.gz VORMKDVVIYCZJJ-JTQLQIEISA-N 1 2 282.296 1.515 10 5 CDBELO O=C(NCCn1cc[nH+]c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000050037838 526473393 /nfs/dbraw/zinc/47/33/93/526473393.db2.gz XLEWPWASVIUVEM-UHFFFAOYSA-N 1 2 296.233 1.500 10 5 CDBELO Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000061680572 527494481 /nfs/dbraw/zinc/49/44/81/527494481.db2.gz BEUQNRIGQCIERI-UHFFFAOYSA-N 1 2 258.237 1.824 10 5 CDBELO Cc1ccc(COC(=O)c2c([N+](=O)[O-])cnn2C)c(C)[nH+]1 ZINC000772238093 575674913 /nfs/dbraw/zinc/67/49/13/575674913.db2.gz WIZGBVWLPJBULU-UHFFFAOYSA-N 1 2 290.279 1.697 10 5 CDBELO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089864 1165378253 /nfs/dbraw/zinc/37/82/53/1165378253.db2.gz GSKNGJBMVRXFFR-BDAKNGLRSA-N 1 2 299.302 1.793 10 5 CDBELO CCn1ncc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000858443411 741307297 /nfs/dbraw/zinc/30/72/97/741307297.db2.gz COPWZGVJDOMMAV-SECBINFHSA-N 1 2 290.327 1.639 10 5 CDBELO CNc1cc(CNc2ccncc2[N+](=O)[O-])cc[nH+]1 ZINC001164191000 939428007 /nfs/dbraw/zinc/42/80/07/939428007.db2.gz UKLGQGLFLONNOM-UHFFFAOYSA-N 1 2 259.269 1.461 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)NCCc1ccccc1[N+](=O)[O-] ZINC001556439101 965042743 /nfs/dbraw/zinc/04/27/43/965042743.db2.gz FGJZVNTZEDDQFH-UHFFFAOYSA-N 1 2 274.280 1.219 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000611615924 346837589 /nfs/dbraw/zinc/83/75/89/346837589.db2.gz IQQKNFRZCFLZPF-GFCCVEGCSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000611615924 346837590 /nfs/dbraw/zinc/83/75/90/346837590.db2.gz IQQKNFRZCFLZPF-GFCCVEGCSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595780570 343145258 /nfs/dbraw/zinc/14/52/58/343145258.db2.gz VJLOYFODSOLIPY-BDAKNGLRSA-N 1 2 269.301 1.891 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595780570 343145261 /nfs/dbraw/zinc/14/52/61/343145261.db2.gz VJLOYFODSOLIPY-BDAKNGLRSA-N 1 2 269.301 1.891 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598945858 343925984 /nfs/dbraw/zinc/92/59/84/343925984.db2.gz CPDXGIBKRWERSJ-JTQLQIEISA-N 1 2 286.291 1.454 10 5 CDBELO CC(C)Cn1cc[nH+]c1CNc1c([N+](=O)[O-])ncn1C ZINC000361066072 357790626 /nfs/dbraw/zinc/79/06/26/357790626.db2.gz MYDQKQKOAFQBQU-UHFFFAOYSA-N 1 2 278.316 1.793 10 5 CDBELO Cc1nn(C)c(Nc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000265167437 359827501 /nfs/dbraw/zinc/82/75/01/359827501.db2.gz XUUHDXRIGSKIAC-UHFFFAOYSA-N 1 2 276.300 1.841 10 5 CDBELO C[N@H+](CCn1cccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338997196 361194260 /nfs/dbraw/zinc/19/42/60/361194260.db2.gz UXOKMXRAHCJNBQ-UHFFFAOYSA-N 1 2 276.296 1.629 10 5 CDBELO C[N@@H+](CCn1cccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338997196 361194269 /nfs/dbraw/zinc/19/42/69/361194269.db2.gz UXOKMXRAHCJNBQ-UHFFFAOYSA-N 1 2 276.296 1.629 10 5 CDBELO CC(C)Cn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cn1 ZINC000302090599 201339074 /nfs/dbraw/zinc/33/90/74/201339074.db2.gz GTHFGHCUQQNOTB-UHFFFAOYSA-N 1 2 276.300 1.849 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1F ZINC000366975325 364450154 /nfs/dbraw/zinc/45/01/54/364450154.db2.gz KUNRZEQXAZENKA-LBPRGKRZSA-N 1 2 295.314 1.250 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1F ZINC000366975325 364450157 /nfs/dbraw/zinc/45/01/57/364450157.db2.gz KUNRZEQXAZENKA-LBPRGKRZSA-N 1 2 295.314 1.250 10 5 CDBELO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000368892053 374336557 /nfs/dbraw/zinc/33/65/57/374336557.db2.gz MUBQKNLPOGXQHZ-CYBMUJFWSA-N 1 2 295.314 1.834 10 5 CDBELO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000368892053 374336566 /nfs/dbraw/zinc/33/65/66/374336566.db2.gz MUBQKNLPOGXQHZ-CYBMUJFWSA-N 1 2 295.314 1.834 10 5 CDBELO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000330446697 374856767 /nfs/dbraw/zinc/85/67/67/374856767.db2.gz FMACSJUILOREAF-TVQRCGJNSA-N 1 2 266.297 1.503 10 5 CDBELO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000330446697 374856773 /nfs/dbraw/zinc/85/67/73/374856773.db2.gz FMACSJUILOREAF-TVQRCGJNSA-N 1 2 266.297 1.503 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069896110 379080370 /nfs/dbraw/zinc/08/03/70/379080370.db2.gz CHAPEVDOSMIRAW-TXEJJXNPSA-N 1 2 294.355 1.819 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069896110 379080378 /nfs/dbraw/zinc/08/03/78/379080378.db2.gz CHAPEVDOSMIRAW-TXEJJXNPSA-N 1 2 294.355 1.819 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494702105 391901481 /nfs/dbraw/zinc/90/14/81/391901481.db2.gz IORMAVBPSPNNRN-GFCCVEGCSA-N 1 2 266.272 1.691 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494702105 391901484 /nfs/dbraw/zinc/90/14/84/391901484.db2.gz IORMAVBPSPNNRN-GFCCVEGCSA-N 1 2 266.272 1.691 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000350007940 393081454 /nfs/dbraw/zinc/08/14/54/393081454.db2.gz HIFWDJXRQLSYMM-CQSZACIVSA-N 1 2 289.335 1.710 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000350007940 393081459 /nfs/dbraw/zinc/08/14/59/393081459.db2.gz HIFWDJXRQLSYMM-CQSZACIVSA-N 1 2 289.335 1.710 10 5 CDBELO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187532109 140080074 /nfs/dbraw/zinc/08/00/74/140080074.db2.gz QYKRWPHQALAFQQ-HNNXBMFYSA-N 1 2 292.335 1.895 10 5 CDBELO Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187532109 140080075 /nfs/dbraw/zinc/08/00/75/140080075.db2.gz QYKRWPHQALAFQQ-HNNXBMFYSA-N 1 2 292.335 1.895 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[NH+]3CCN2CC3)n1 ZINC000359104920 158128105 /nfs/dbraw/zinc/12/81/05/158128105.db2.gz VXAUPUJIEJHLHM-LBPRGKRZSA-N 1 2 291.355 1.018 10 5 CDBELO Cc1cc(NC(=O)[C@H]2CSC[NH2+]2)ccc1[N+](=O)[O-] ZINC000043570225 175068141 /nfs/dbraw/zinc/06/81/41/175068141.db2.gz VOJCZZLPJRRWCI-SECBINFHSA-N 1 2 267.310 1.504 10 5 CDBELO CNc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2C)c1 ZINC000071275208 176106137 /nfs/dbraw/zinc/10/61/37/176106137.db2.gz BESBMAATKNVVOC-UHFFFAOYSA-N 1 2 289.295 1.300 10 5 CDBELO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183329247 323331091 /nfs/dbraw/zinc/33/10/91/323331091.db2.gz UJTUODIUYZFVJU-ZDUSSCGKSA-N 1 2 294.307 1.277 10 5 CDBELO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183329247 323331096 /nfs/dbraw/zinc/33/10/96/323331096.db2.gz UJTUODIUYZFVJU-ZDUSSCGKSA-N 1 2 294.307 1.277 10 5 CDBELO C[NH2+][C@@H](CCOc1ccc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000062541843 522348226 /nfs/dbraw/zinc/34/82/26/522348226.db2.gz YJTHOXXSLLNMFB-JTQLQIEISA-N 1 2 282.296 1.433 10 5 CDBELO C[NH2+][C@H](CCOc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000062539282 522464165 /nfs/dbraw/zinc/46/41/65/522464165.db2.gz PFSIGZSVGXBFTH-LLVKDONJSA-N 1 2 268.269 1.125 10 5 CDBELO Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)c(N)c1[N+](=O)[O-] ZINC001639997521 1166980088 /nfs/dbraw/zinc/98/00/88/1166980088.db2.gz RJNYBPCOYCDBOK-VIFPVBQESA-N 1 2 289.295 1.882 10 5 CDBELO CCN(OC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001596724674 1174244395 /nfs/dbraw/zinc/24/43/95/1174244395.db2.gz UFGAOTNOLCBTIY-UHFFFAOYSA-N 1 2 290.279 1.804 10 5 CDBELO [NH3+][C@@H](CC(=O)NCc1ccccc1[N+](=O)[O-])C(F)F ZINC000724726562 747957273 /nfs/dbraw/zinc/95/72/73/747957273.db2.gz FGKPWKDZZFJKRV-QMMMGPOBSA-N 1 2 273.239 1.194 10 5 CDBELO COC(=O)N1CC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872053847 748077545 /nfs/dbraw/zinc/07/75/45/748077545.db2.gz XKGUEKQBKBTTHO-MRVPVSSYSA-N 1 2 297.286 1.835 10 5 CDBELO Cc1[nH]c(CNC(=O)c2ccccc2[N+](=O)[O-])[nH+]c1C ZINC001629648678 1166154867 /nfs/dbraw/zinc/15/48/67/1166154867.db2.gz BBCSQVXWRGJUSJ-UHFFFAOYSA-N 1 2 274.280 1.865 10 5 CDBELO Nc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)cccc1[N+](=O)[O-] ZINC001149163755 936842823 /nfs/dbraw/zinc/84/28/23/936842823.db2.gz KJBRCCWRAJJQKD-SECBINFHSA-N 1 2 287.279 1.248 10 5 CDBELO Cc1noc(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)c1[N+](=O)[O-] ZINC001195084408 924458400 /nfs/dbraw/zinc/45/84/00/924458400.db2.gz QXFNQZLBDDKYMV-VHSXEESVSA-N 1 2 281.312 1.748 10 5 CDBELO Cc1noc(C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)c1[N+](=O)[O-] ZINC001195084408 924458406 /nfs/dbraw/zinc/45/84/06/924458406.db2.gz QXFNQZLBDDKYMV-VHSXEESVSA-N 1 2 281.312 1.748 10 5 CDBELO COCC[N@H+](CCNC(C)=O)Cc1ccccc1[N+](=O)[O-] ZINC001279041561 948635472 /nfs/dbraw/zinc/63/54/72/948635472.db2.gz YIHVXIIXQRCVGE-UHFFFAOYSA-N 1 2 295.339 1.179 10 5 CDBELO COCC[N@@H+](CCNC(C)=O)Cc1ccccc1[N+](=O)[O-] ZINC001279041561 948635480 /nfs/dbraw/zinc/63/54/80/948635480.db2.gz YIHVXIIXQRCVGE-UHFFFAOYSA-N 1 2 295.339 1.179 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593097104 342765609 /nfs/dbraw/zinc/76/56/09/342765609.db2.gz CAGADRHRJZSQKB-OAVHHTNSSA-N 1 2 266.322 1.300 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593097104 342765611 /nfs/dbraw/zinc/76/56/11/342765611.db2.gz CAGADRHRJZSQKB-OAVHHTNSSA-N 1 2 266.322 1.300 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000599159899 343970634 /nfs/dbraw/zinc/97/06/34/343970634.db2.gz GXHUYFSPOBEVBI-SNVBAGLBSA-N 1 2 251.286 1.337 10 5 CDBELO C[N@H+]1CCOC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000599159899 343970637 /nfs/dbraw/zinc/97/06/37/343970637.db2.gz GXHUYFSPOBEVBI-SNVBAGLBSA-N 1 2 251.286 1.337 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599082402 343957784 /nfs/dbraw/zinc/95/77/84/343957784.db2.gz BNEDIGMNTSXQPA-GHMZBOCLSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599082402 343957786 /nfs/dbraw/zinc/95/77/86/343957786.db2.gz BNEDIGMNTSXQPA-GHMZBOCLSA-N 1 2 293.323 1.232 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000411910003 363376109 /nfs/dbraw/zinc/37/61/09/363376109.db2.gz HNFXCZNBVYSWSY-UHFFFAOYSA-N 1 2 293.323 1.314 10 5 CDBELO O=C(COC1CC[NH2+]CC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000564937177 358568075 /nfs/dbraw/zinc/56/80/75/358568075.db2.gz JQDIBAKBFFVPMO-UHFFFAOYSA-N 1 2 295.295 1.008 10 5 CDBELO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062983430 358820468 /nfs/dbraw/zinc/82/04/68/358820468.db2.gz ZYSFDYLHJBWXEY-LLVKDONJSA-N 1 2 295.314 1.645 10 5 CDBELO CC(C)OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347779434 359637533 /nfs/dbraw/zinc/63/75/33/359637533.db2.gz FAJRCRDGTQGTEX-UHFFFAOYSA-N 1 2 265.313 1.773 10 5 CDBELO CC(C)OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347779434 359637534 /nfs/dbraw/zinc/63/75/34/359637534.db2.gz FAJRCRDGTQGTEX-UHFFFAOYSA-N 1 2 265.313 1.773 10 5 CDBELO CC[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000166119457 359668528 /nfs/dbraw/zinc/66/85/28/359668528.db2.gz MFYRACICXFLIGT-VIFPVBQESA-N 1 2 267.285 1.579 10 5 CDBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cn1 ZINC000371360572 284117517 /nfs/dbraw/zinc/11/75/17/284117517.db2.gz OWRDWZWYAMXPOP-MRVPVSSYSA-N 1 2 287.279 1.000 10 5 CDBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cn1 ZINC000371360572 284117521 /nfs/dbraw/zinc/11/75/21/284117521.db2.gz OWRDWZWYAMXPOP-MRVPVSSYSA-N 1 2 287.279 1.000 10 5 CDBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)C(F)(F)F)C2 ZINC000547308151 373439741 /nfs/dbraw/zinc/43/97/41/373439741.db2.gz 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ZINC000362062585 159055278 /nfs/dbraw/zinc/05/52/78/159055278.db2.gz DZGOGBCFWWBZNK-ZRNGKTOUSA-N 1 2 286.353 1.499 10 5 CDBELO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000362062585 159055280 /nfs/dbraw/zinc/05/52/80/159055280.db2.gz DZGOGBCFWWBZNK-ZRNGKTOUSA-N 1 2 286.353 1.499 10 5 CDBELO O=C1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000116277054 280254996 /nfs/dbraw/zinc/25/49/96/280254996.db2.gz BIEZEBIQKGBIBB-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO O=C1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000116277054 280254999 /nfs/dbraw/zinc/25/49/99/280254999.db2.gz BIEZEBIQKGBIBB-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO CN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186135099 323402225 /nfs/dbraw/zinc/40/22/25/323402225.db2.gz QCBBLDJAMUUPEV-UHFFFAOYSA-N 1 2 281.312 1.324 10 5 CDBELO C[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])c(F)c1)C(=O)OC ZINC000062542198 522348538 /nfs/dbraw/zinc/34/85/38/522348538.db2.gz MWIHQEBJCQLOCG-JTQLQIEISA-N 1 2 286.259 1.264 10 5 CDBELO CCOC(=O)C(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000076692682 520423768 /nfs/dbraw/zinc/42/37/68/520423768.db2.gz GEWBRZXOJXLRPX-UHFFFAOYSA-N 1 2 296.323 1.905 10 5 CDBELO C[NH2+][C@@H](CCOc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000062539504 522349323 /nfs/dbraw/zinc/34/93/23/522349323.db2.gz OLTGCNZIWIKCPD-VIFPVBQESA-N 1 2 268.269 1.125 10 5 CDBELO COCCO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000189718254 536561053 /nfs/dbraw/zinc/56/10/53/536561053.db2.gz NHVRECBAUAADQE-LLVKDONJSA-N 1 2 286.353 1.894 10 5 CDBELO COCCO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000189718254 536561061 /nfs/dbraw/zinc/56/10/61/536561061.db2.gz NHVRECBAUAADQE-LLVKDONJSA-N 1 2 286.353 1.894 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000752096337 577088914 /nfs/dbraw/zinc/08/89/14/577088914.db2.gz YBUOEBMXKTYXBQ-PHIMTYICSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000752096337 577088915 /nfs/dbraw/zinc/08/89/15/577088915.db2.gz YBUOEBMXKTYXBQ-PHIMTYICSA-N 1 2 286.715 1.176 10 5 CDBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C)CC1 ZINC000202896121 617551740 /nfs/dbraw/zinc/55/17/40/617551740.db2.gz AHLYRXGINAZNLH-UHFFFAOYSA-N 1 2 263.297 1.549 10 5 CDBELO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000895400562 619639867 /nfs/dbraw/zinc/63/98/67/619639867.db2.gz RWPOUBMLQBNGGP-UHFFFAOYSA-N 1 2 295.314 1.834 10 5 CDBELO CC1(C)CC(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000895400562 619639869 /nfs/dbraw/zinc/63/98/69/619639869.db2.gz RWPOUBMLQBNGGP-UHFFFAOYSA-N 1 2 295.314 1.834 10 5 CDBELO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C ZINC000928435922 750787055 /nfs/dbraw/zinc/78/70/55/750787055.db2.gz HVRGRRKRVTVLAK-KCJUWKMLSA-N 1 2 279.296 1.123 10 5 CDBELO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000928435922 750787069 /nfs/dbraw/zinc/78/70/69/750787069.db2.gz HVRGRRKRVTVLAK-KCJUWKMLSA-N 1 2 279.296 1.123 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985570 750883961 /nfs/dbraw/zinc/88/39/61/750883961.db2.gz PHYBWJJICNZBBA-GFCCVEGCSA-N 1 2 286.291 1.975 10 5 CDBELO Cc1nc([C@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)no1 ZINC001176098350 913934953 /nfs/dbraw/zinc/93/49/53/913934953.db2.gz ZWOXIKVYJLXWIW-VIFPVBQESA-N 1 2 293.283 1.572 10 5 CDBELO Cc1nc([C@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)no1 ZINC001176098350 913934965 /nfs/dbraw/zinc/93/49/65/913934965.db2.gz ZWOXIKVYJLXWIW-VIFPVBQESA-N 1 2 293.283 1.572 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001141367273 900839715 /nfs/dbraw/zinc/83/97/15/900839715.db2.gz UUGSAZBWYOIGGZ-LBPRGKRZSA-N 1 2 275.308 1.578 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001141367273 900839721 /nfs/dbraw/zinc/83/97/21/900839721.db2.gz UUGSAZBWYOIGGZ-LBPRGKRZSA-N 1 2 275.308 1.578 10 5 CDBELO CC(C)[C@H](CNc1nn(C)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001184720024 919242713 /nfs/dbraw/zinc/24/27/13/919242713.db2.gz LZDXEMMXTMNVGJ-NSHDSACASA-N 1 2 297.359 1.097 10 5 CDBELO CCc1[nH]c(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c[nH+]1 ZINC001558497716 965297753 /nfs/dbraw/zinc/29/77/53/965297753.db2.gz ACUHLOGHCPKPCU-UHFFFAOYSA-N 1 2 298.690 1.187 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[nH+]1 ZINC001558497716 965297765 /nfs/dbraw/zinc/29/77/65/965297765.db2.gz ACUHLOGHCPKPCU-UHFFFAOYSA-N 1 2 298.690 1.187 10 5 CDBELO Cc1[nH+]c[nH]c1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001465604316 969884648 /nfs/dbraw/zinc/88/46/48/969884648.db2.gz KXEYXWZJKOPMBP-UHFFFAOYSA-N 1 2 292.270 1.624 10 5 CDBELO Cc1[nH]c([C@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH+]c1C ZINC001471861187 970505954 /nfs/dbraw/zinc/50/59/54/970505954.db2.gz XEJKCRMNEFMAEJ-GMTAPVOTSA-N 1 2 278.312 1.355 10 5 CDBELO CCc1nn(C)c(NCC(C)(C)n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000601197778 342489820 /nfs/dbraw/zinc/48/98/20/342489820.db2.gz FMIBFJOJRURQCE-UHFFFAOYSA-N 1 2 292.343 1.934 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124796841 187155007 /nfs/dbraw/zinc/15/50/07/187155007.db2.gz MGXDTDJEHJCKES-JTQLQIEISA-N 1 2 285.731 1.991 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124796841 187155008 /nfs/dbraw/zinc/15/50/08/187155008.db2.gz MGXDTDJEHJCKES-JTQLQIEISA-N 1 2 285.731 1.991 10 5 CDBELO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000595932384 343185123 /nfs/dbraw/zinc/18/51/23/343185123.db2.gz NQKOYLVNKBPERF-DTWKUNHWSA-N 1 2 265.269 1.366 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000611973511 346941366 /nfs/dbraw/zinc/94/13/66/346941366.db2.gz KDHRKXNNAMEFRP-JTQLQIEISA-N 1 2 275.312 1.883 10 5 CDBELO CC(=O)NCCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599095960 343953815 /nfs/dbraw/zinc/95/38/15/343953815.db2.gz ZSNVAXRGFFDYAR-UHFFFAOYSA-N 1 2 288.307 1.715 10 5 CDBELO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c(C3CC3)n2)c1 ZINC000152551191 188027827 /nfs/dbraw/zinc/02/78/27/188027827.db2.gz UCVNJMQVRMULKT-UHFFFAOYSA-N 1 2 274.284 1.571 10 5 CDBELO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000065494088 363289579 /nfs/dbraw/zinc/28/95/79/363289579.db2.gz PKIPUXAMPBCZMY-CMPLNLGQSA-N 1 2 293.323 1.331 10 5 CDBELO Cc1ccnc(SC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000567163313 358633364 /nfs/dbraw/zinc/63/33/64/358633364.db2.gz GLDCKGIBSYFXTL-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO Cc1ccnc(SC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000567163313 358633366 /nfs/dbraw/zinc/63/33/66/358633366.db2.gz GLDCKGIBSYFXTL-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262917377 358910024 /nfs/dbraw/zinc/91/00/24/358910024.db2.gz GLYBATWUXWHTJD-JTQLQIEISA-N 1 2 285.250 1.208 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C(c1ncccn1)=[NH+]CCN2 ZINC000169343267 360329730 /nfs/dbraw/zinc/32/97/30/360329730.db2.gz BSFOWENCYDHTPW-UHFFFAOYSA-N 1 2 269.264 1.648 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000331123040 374890693 /nfs/dbraw/zinc/89/06/93/374890693.db2.gz BUQLSWFYFGVHGT-CHWSQXEVSA-N 1 2 293.367 1.654 10 5 CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000331123040 374890700 /nfs/dbraw/zinc/89/07/00/374890700.db2.gz BUQLSWFYFGVHGT-CHWSQXEVSA-N 1 2 293.367 1.654 10 5 CDBELO Cc1nc(Nc2ccc(N(C)C)[nH+]c2)ncc1[N+](=O)[O-] ZINC000296622464 376590518 /nfs/dbraw/zinc/59/05/18/376590518.db2.gz UYQWTNAPMQTUNT-UHFFFAOYSA-N 1 2 274.284 1.898 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000411912280 390968699 /nfs/dbraw/zinc/96/86/99/390968699.db2.gz LTJJBECUJYGDDS-UHFFFAOYSA-N 1 2 279.296 1.011 10 5 CDBELO CC[C@H]([NH2+][C@@H](C)c1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000189855550 130031174 /nfs/dbraw/zinc/03/11/74/130031174.db2.gz XEZNCUAPILRUKK-CABZTGNLSA-N 1 2 290.327 1.920 10 5 CDBELO Cc1nn(C)c(NCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000263816614 131338308 /nfs/dbraw/zinc/33/83/08/131338308.db2.gz WDHCSGSJIFZQKG-UHFFFAOYSA-N 1 2 290.327 1.782 10 5 CDBELO Cc1cc(C)n(-c2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])n1 ZINC000040661667 174365969 /nfs/dbraw/zinc/36/59/69/174365969.db2.gz PSECFAZNYPZZPG-UHFFFAOYSA-N 1 2 285.267 1.373 10 5 CDBELO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000044465460 175177540 /nfs/dbraw/zinc/17/75/40/175177540.db2.gz LCELQNXMUXZNHU-GWCFXTLKSA-N 1 2 288.307 1.126 10 5 CDBELO COc1cc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])cc1F ZINC000290797807 294995397 /nfs/dbraw/zinc/99/53/97/294995397.db2.gz YFRZMTPSKBKVKN-UHFFFAOYSA-N 1 2 292.270 1.959 10 5 CDBELO Cc1nn(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000578787076 324027506 /nfs/dbraw/zinc/02/75/06/324027506.db2.gz BFEZHRHLHXCKAX-AOOOYVTPSA-N 1 2 268.317 1.209 10 5 CDBELO Cc1nn(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000578787076 324027510 /nfs/dbraw/zinc/02/75/10/324027510.db2.gz BFEZHRHLHXCKAX-AOOOYVTPSA-N 1 2 268.317 1.209 10 5 CDBELO O=[N+]([O-])c1ccc(NCC[NH+]2CCOCC2)cc1Cl ZINC000218130925 483012629 /nfs/dbraw/zinc/01/26/29/483012629.db2.gz FELGCFHTCYQHML-UHFFFAOYSA-N 1 2 285.731 1.992 10 5 CDBELO CCCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815738 520450964 /nfs/dbraw/zinc/45/09/64/520450964.db2.gz JGEPXOBXIAPUCB-UHFFFAOYSA-N 1 2 280.328 1.264 10 5 CDBELO CCCC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815738 520450975 /nfs/dbraw/zinc/45/09/75/520450975.db2.gz JGEPXOBXIAPUCB-UHFFFAOYSA-N 1 2 280.328 1.264 10 5 CDBELO C[N@H+](CC(=O)N1CCCC1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815329 522432209 /nfs/dbraw/zinc/43/22/09/522432209.db2.gz XPOQTFNGUMMYTR-UHFFFAOYSA-N 1 2 292.339 1.231 10 5 CDBELO C[N@@H+](CC(=O)N1CCCC1)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815329 522432218 /nfs/dbraw/zinc/43/22/18/522432218.db2.gz XPOQTFNGUMMYTR-UHFFFAOYSA-N 1 2 292.339 1.231 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761094938 576547526 /nfs/dbraw/zinc/54/75/26/576547526.db2.gz NPVHQLFFKZSUFE-SKDRFNHKSA-N 1 2 291.307 1.636 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761094938 576547529 /nfs/dbraw/zinc/54/75/29/576547529.db2.gz NPVHQLFFKZSUFE-SKDRFNHKSA-N 1 2 291.307 1.636 10 5 CDBELO CCc1nn(C)c(N[C@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928232 754945598 /nfs/dbraw/zinc/94/55/98/754945598.db2.gz UODKWZTUOMOUAI-JTQLQIEISA-N 1 2 299.350 1.737 10 5 CDBELO CCc1nn(C)c(N[C@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928232 754945601 /nfs/dbraw/zinc/94/56/01/754945601.db2.gz UODKWZTUOMOUAI-JTQLQIEISA-N 1 2 299.350 1.737 10 5 CDBELO C[C@H]([NH2+]CC(=O)NCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872059695 755269181 /nfs/dbraw/zinc/26/91/81/755269181.db2.gz HUOGTCNYDTVZOT-VIFPVBQESA-N 1 2 295.314 1.911 10 5 CDBELO C[C@@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000931617276 755952238 /nfs/dbraw/zinc/95/22/38/755952238.db2.gz ZEJKCXUCZBPINW-HTQZYQBOSA-N 1 2 256.224 1.305 10 5 CDBELO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000931617276 755952243 /nfs/dbraw/zinc/95/22/43/755952243.db2.gz ZEJKCXUCZBPINW-HTQZYQBOSA-N 1 2 256.224 1.305 10 5 CDBELO Cc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)cccc1[N+](=O)[O-] ZINC000857991528 756649610 /nfs/dbraw/zinc/64/96/10/756649610.db2.gz ZVTJBKHUEGCGQK-LLVKDONJSA-N 1 2 286.291 1.975 10 5 CDBELO CC[C@@H](C[N+](=O)[O-])OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001349805949 966479524 /nfs/dbraw/zinc/47/95/24/966479524.db2.gz PVDNLYHXSHMIIC-UWVGGRQHSA-N 1 2 255.274 1.433 10 5 CDBELO CC[C@H](C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(N)=O ZINC001460764133 969541508 /nfs/dbraw/zinc/54/15/08/969541508.db2.gz RHXIOAHIMBUXCF-UFBFGSQYSA-N 1 2 281.312 1.290 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001540364136 975716152 /nfs/dbraw/zinc/71/61/52/975716152.db2.gz ZVVDMZSORJXRHI-UHFFFAOYSA-N 1 2 260.253 1.808 10 5 CDBELO [NH3+][C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CCC1 ZINC000592258612 342683431 /nfs/dbraw/zinc/68/34/31/342683431.db2.gz ZFPSCQMBAXMDFG-LLVKDONJSA-N 1 2 265.269 1.366 10 5 CDBELO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600691521 342242614 /nfs/dbraw/zinc/24/26/14/342242614.db2.gz KHWSWOIRZIBZSA-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600691521 342242615 /nfs/dbraw/zinc/24/26/15/342242615.db2.gz KHWSWOIRZIBZSA-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092588297 342418117 /nfs/dbraw/zinc/41/81/17/342418117.db2.gz PEOFBDMTWNHEFU-LLVKDONJSA-N 1 2 293.323 1.530 10 5 CDBELO NC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092588297 342418118 /nfs/dbraw/zinc/41/81/18/342418118.db2.gz PEOFBDMTWNHEFU-LLVKDONJSA-N 1 2 293.323 1.530 10 5 CDBELO COc1cc(NC[C@H]2COCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599159477 343970621 /nfs/dbraw/zinc/97/06/21/343970621.db2.gz BYKRHKPBKMZPJD-VIFPVBQESA-N 1 2 299.302 1.485 10 5 CDBELO COc1cc(NC[C@H]2COCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599159477 343970623 /nfs/dbraw/zinc/97/06/23/343970623.db2.gz BYKRHKPBKMZPJD-VIFPVBQESA-N 1 2 299.302 1.485 10 5 CDBELO COc1cccc2c1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000599647115 344113646 /nfs/dbraw/zinc/11/36/46/344113646.db2.gz USLCLGIZBCAOHG-UHFFFAOYSA-N 1 2 288.307 1.816 10 5 CDBELO COc1cccc2c1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000599647115 344113648 /nfs/dbraw/zinc/11/36/48/344113648.db2.gz USLCLGIZBCAOHG-UHFFFAOYSA-N 1 2 288.307 1.816 10 5 CDBELO Cc1nnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000293096116 362529368 /nfs/dbraw/zinc/52/93/68/362529368.db2.gz ITDDYBHUXKCVKU-QMMMGPOBSA-N 1 2 261.285 1.872 10 5 CDBELO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000344212717 362555618 /nfs/dbraw/zinc/55/56/18/362555618.db2.gz MKTXEFKXOSDTCY-UHFFFAOYSA-N 1 2 293.298 1.654 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185210359 357522777 /nfs/dbraw/zinc/52/27/77/357522777.db2.gz NVQZGQQXTUFVQV-CQSZACIVSA-N 1 2 278.308 1.586 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185210359 357522780 /nfs/dbraw/zinc/52/27/80/357522780.db2.gz NVQZGQQXTUFVQV-CQSZACIVSA-N 1 2 278.308 1.586 10 5 CDBELO Cc1ccnc(SC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000567163314 358633427 /nfs/dbraw/zinc/63/34/27/358633427.db2.gz GLDCKGIBSYFXTL-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO Cc1ccnc(SC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000567163314 358633429 /nfs/dbraw/zinc/63/34/29/358633429.db2.gz GLDCKGIBSYFXTL-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO CCc1nnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000295989401 370821899 /nfs/dbraw/zinc/82/18/99/370821899.db2.gz KDMXEBMAINWNBG-UHFFFAOYSA-N 1 2 261.285 1.565 10 5 CDBELO Cc1sc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000114338757 374305137 /nfs/dbraw/zinc/30/51/37/374305137.db2.gz KPCRSZLQUCCICU-UHFFFAOYSA-N 1 2 266.282 1.618 10 5 CDBELO COc1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1F ZINC000368797359 374327558 /nfs/dbraw/zinc/32/75/58/374327558.db2.gz BMQRXKWFWCWTIY-CYBMUJFWSA-N 1 2 296.298 1.699 10 5 CDBELO COc1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1F ZINC000368797359 374327563 /nfs/dbraw/zinc/32/75/63/374327563.db2.gz BMQRXKWFWCWTIY-CYBMUJFWSA-N 1 2 296.298 1.699 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)c(F)c1 ZINC000449479218 374814464 /nfs/dbraw/zinc/81/44/64/374814464.db2.gz ZJVXKKDAVOTIRL-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c(F)c1 ZINC000449479218 374814470 /nfs/dbraw/zinc/81/44/70/374814470.db2.gz ZJVXKKDAVOTIRL-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000331177642 374904058 /nfs/dbraw/zinc/90/40/58/374904058.db2.gz QGGLEYCLNUVPNE-ONGXEEELSA-N 1 2 286.353 1.628 10 5 CDBELO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000331177642 374904068 /nfs/dbraw/zinc/90/40/68/374904068.db2.gz QGGLEYCLNUVPNE-ONGXEEELSA-N 1 2 286.353 1.628 10 5 CDBELO Cc1ncc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000446844082 250319091 /nfs/dbraw/zinc/31/90/91/250319091.db2.gz RELMSOONIVRVBL-UHFFFAOYSA-N 1 2 298.306 1.859 10 5 CDBELO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cn1cc[nH+]c1 ZINC000288545756 197108661 /nfs/dbraw/zinc/10/86/61/197108661.db2.gz YRYQFIFRDRKMCZ-UHFFFAOYSA-N 1 2 288.307 1.492 10 5 CDBELO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(N)c2F)c1 ZINC000413378371 391208071 /nfs/dbraw/zinc/20/80/71/391208071.db2.gz FLNYCKAOMVUAOU-UHFFFAOYSA-N 1 2 279.275 1.704 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185181738 391626541 /nfs/dbraw/zinc/62/65/41/391626541.db2.gz KHQQWHOTUSACLA-AWEZNQCLSA-N 1 2 278.308 1.586 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185181738 391626542 /nfs/dbraw/zinc/62/65/42/391626542.db2.gz KHQQWHOTUSACLA-AWEZNQCLSA-N 1 2 278.308 1.586 10 5 CDBELO CNC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248426143 391675705 /nfs/dbraw/zinc/67/57/05/391675705.db2.gz OGDVKSHSJSRFDO-ZWNOBZJWSA-N 1 2 293.323 1.103 10 5 CDBELO CNC(=O)[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000248426143 391675708 /nfs/dbraw/zinc/67/57/08/391675708.db2.gz OGDVKSHSJSRFDO-ZWNOBZJWSA-N 1 2 293.323 1.103 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000408466122 280380609 /nfs/dbraw/zinc/38/06/09/280380609.db2.gz IKOXPAUTPSDVEB-SNVBAGLBSA-N 1 2 296.302 1.040 10 5 CDBELO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000548085978 289840509 /nfs/dbraw/zinc/84/05/09/289840509.db2.gz CZUOYYCIHBLBII-UHFFFAOYSA-N 1 2 290.283 1.061 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455460 524794709 /nfs/dbraw/zinc/79/47/09/524794709.db2.gz KQZALHXBZVFPDT-SSDOTTSWSA-N 1 2 282.691 1.735 10 5 CDBELO O=C(C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000049537516 526729610 /nfs/dbraw/zinc/72/96/10/526729610.db2.gz VRZWYPYINGVOMW-UHFFFAOYSA-N 1 2 264.281 1.234 10 5 CDBELO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050816165 526999411 /nfs/dbraw/zinc/99/94/11/526999411.db2.gz JNBUMSKOMNEJLA-GFCCVEGCSA-N 1 2 278.312 1.017 10 5 CDBELO NC(=O)[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050816165 526999415 /nfs/dbraw/zinc/99/94/15/526999415.db2.gz JNBUMSKOMNEJLA-GFCCVEGCSA-N 1 2 278.312 1.017 10 5 CDBELO Nc1cc(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)cc[nH+]1 ZINC000052733387 527453057 /nfs/dbraw/zinc/45/30/57/527453057.db2.gz GXVLQSVFIYUIPK-UHFFFAOYSA-N 1 2 286.247 1.528 10 5 CDBELO C[C@@H]1COCC[N@@H+]1CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001653495370 1171547100 /nfs/dbraw/zinc/54/71/00/1171547100.db2.gz ZLUBEYXFCNXBSQ-GFCCVEGCSA-N 1 2 291.351 1.631 10 5 CDBELO C[C@@H]1COCC[N@H+]1CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001653495370 1171547114 /nfs/dbraw/zinc/54/71/14/1171547114.db2.gz ZLUBEYXFCNXBSQ-GFCCVEGCSA-N 1 2 291.351 1.631 10 5 CDBELO CCON(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000846063958 770653726 /nfs/dbraw/zinc/65/37/26/770653726.db2.gz JWKHURDYEXBQJY-UHFFFAOYSA-N 1 2 285.275 1.233 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000840141361 773201271 /nfs/dbraw/zinc/20/12/71/773201271.db2.gz NNJSTIYPTWXJSD-LBPRGKRZSA-N 1 2 266.301 1.251 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000840141361 773201281 /nfs/dbraw/zinc/20/12/81/773201281.db2.gz NNJSTIYPTWXJSD-LBPRGKRZSA-N 1 2 266.301 1.251 10 5 CDBELO Nc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC001141767332 936937357 /nfs/dbraw/zinc/93/73/57/936937357.db2.gz GBPRRGJDPYQEIB-UHFFFAOYSA-N 1 2 275.268 1.471 10 5 CDBELO O=C(Nc1ccc2[nH+]ccn2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618375448 349448532 /nfs/dbraw/zinc/44/85/32/349448532.db2.gz TWOREWNGMSLGNC-UHFFFAOYSA-N 1 2 299.246 1.595 10 5 CDBELO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@H]2O1 ZINC000593115554 342770199 /nfs/dbraw/zinc/77/01/99/342770199.db2.gz GRRONRHCDOTDSQ-ZIAGYGMSSA-N 1 2 292.335 1.973 10 5 CDBELO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@H]2O1 ZINC000593115554 342770200 /nfs/dbraw/zinc/77/02/00/342770200.db2.gz GRRONRHCDOTDSQ-ZIAGYGMSSA-N 1 2 292.335 1.973 10 5 CDBELO O=c1[nH]ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000596159578 343255486 /nfs/dbraw/zinc/25/54/86/343255486.db2.gz PLXXGVQCTYCYTD-UHFFFAOYSA-N 1 2 289.295 1.803 10 5 CDBELO O=c1[nH]ccc(N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000596159578 343255488 /nfs/dbraw/zinc/25/54/88/343255488.db2.gz PLXXGVQCTYCYTD-UHFFFAOYSA-N 1 2 289.295 1.803 10 5 CDBELO CC1(CO)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599084763 343950934 /nfs/dbraw/zinc/95/09/34/343950934.db2.gz XIOTTWVEQPISON-UHFFFAOYSA-N 1 2 273.292 1.962 10 5 CDBELO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000283081566 357523119 /nfs/dbraw/zinc/52/31/19/357523119.db2.gz LAWUTBDESVMDJU-NSHDSACASA-N 1 2 278.308 1.885 10 5 CDBELO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000283081566 357523121 /nfs/dbraw/zinc/52/31/21/357523121.db2.gz LAWUTBDESVMDJU-NSHDSACASA-N 1 2 278.308 1.885 10 5 CDBELO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000567784063 358734713 /nfs/dbraw/zinc/73/47/13/358734713.db2.gz CZDWPVKZRFPXIA-JTQLQIEISA-N 1 2 285.250 1.208 10 5 CDBELO O=[N+]([O-])c1ncn(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000445598749 250221099 /nfs/dbraw/zinc/22/10/99/250221099.db2.gz BNWLISMTNHDNNY-UHFFFAOYSA-N 1 2 284.279 1.479 10 5 CDBELO O=C(NCCc1[nH]cc[nH+]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000174762111 379562820 /nfs/dbraw/zinc/56/28/20/379562820.db2.gz GQZLPYVYQPAJKK-UHFFFAOYSA-N 1 2 299.290 1.772 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000183328869 413026419 /nfs/dbraw/zinc/02/64/19/413026419.db2.gz BUSLCIFNIHVOBG-AWEZNQCLSA-N 1 2 291.351 1.860 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000183328869 413026424 /nfs/dbraw/zinc/02/64/24/413026424.db2.gz BUSLCIFNIHVOBG-AWEZNQCLSA-N 1 2 291.351 1.860 10 5 CDBELO COC(=O)C(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352527391 155251899 /nfs/dbraw/zinc/25/18/99/155251899.db2.gz ZUGVUUCUSZSTDP-UHFFFAOYSA-N 1 2 296.323 1.987 10 5 CDBELO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352527391 155251902 /nfs/dbraw/zinc/25/19/02/155251902.db2.gz ZUGVUUCUSZSTDP-UHFFFAOYSA-N 1 2 296.323 1.987 10 5 CDBELO O=[N+]([O-])c1c(NCc2ccco2)ncnc1-n1cc[nH+]c1 ZINC000040645577 174364755 /nfs/dbraw/zinc/36/47/55/174364755.db2.gz IKNFMWCLZBVYDY-UHFFFAOYSA-N 1 2 286.251 1.776 10 5 CDBELO C[C@@H](C[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccn1 ZINC000043568158 175067375 /nfs/dbraw/zinc/06/73/75/175067375.db2.gz OUNMANTZEMUZAD-JTQLQIEISA-N 1 2 266.301 1.122 10 5 CDBELO COC(=O)[C@H](CCOc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)C ZINC000062541062 523899494 /nfs/dbraw/zinc/89/94/94/523899494.db2.gz MDMVSSHNDYAPPG-ZDUSSCGKSA-N 1 2 296.323 1.903 10 5 CDBELO COc1ccc(C[NH2+]Cc2nccn2C)cc1[N+](=O)[O-] ZINC000071139024 524073936 /nfs/dbraw/zinc/07/39/36/524073936.db2.gz GEOKAGZQJUUQBJ-UHFFFAOYSA-N 1 2 276.296 1.627 10 5 CDBELO C[C@H]1COCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813582 524722024 /nfs/dbraw/zinc/72/20/24/524722024.db2.gz VBFSNLBYUHZCPZ-VIFPVBQESA-N 1 2 251.286 1.398 10 5 CDBELO C[C@H]1COCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050813582 524722031 /nfs/dbraw/zinc/72/20/31/524722031.db2.gz VBFSNLBYUHZCPZ-VIFPVBQESA-N 1 2 251.286 1.398 10 5 CDBELO Cc1nnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1C ZINC000052220922 526344311 /nfs/dbraw/zinc/34/43/11/526344311.db2.gz CWHBXMVZWAJBQH-UHFFFAOYSA-N 1 2 261.285 1.322 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2C)n1 ZINC000191605266 529154673 /nfs/dbraw/zinc/15/46/73/529154673.db2.gz OSTYUYOPSPGBSN-UHFFFAOYSA-N 1 2 275.268 1.767 10 5 CDBELO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000315304202 535022225 /nfs/dbraw/zinc/02/22/25/535022225.db2.gz KMXXTFSAGPWCOD-JTQLQIEISA-N 1 2 295.339 1.759 10 5 CDBELO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000315304202 535022234 /nfs/dbraw/zinc/02/22/34/535022234.db2.gz KMXXTFSAGPWCOD-JTQLQIEISA-N 1 2 295.339 1.759 10 5 CDBELO CC(C)COC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000124301166 773793304 /nfs/dbraw/zinc/79/33/04/773793304.db2.gz APNMELOODQHUOK-UHFFFAOYSA-N 1 2 282.344 1.886 10 5 CDBELO Cc1nn(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1[N+](=O)[O-] ZINC000840189068 774861898 /nfs/dbraw/zinc/86/18/98/774861898.db2.gz PHNUBOSPWYAIJI-LLVKDONJSA-N 1 2 295.343 1.046 10 5 CDBELO Cc1nn(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1[N+](=O)[O-] ZINC000840189068 774861899 /nfs/dbraw/zinc/86/18/99/774861899.db2.gz PHNUBOSPWYAIJI-LLVKDONJSA-N 1 2 295.343 1.046 10 5 CDBELO Cc1[nH]c(CNC(=O)c2cccc([N+](=O)[O-])c2N)[nH+]c1C ZINC001294520568 954519643 /nfs/dbraw/zinc/51/96/43/954519643.db2.gz VETOPTHXPVCSFG-UHFFFAOYSA-N 1 2 289.295 1.447 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC001460735933 969538072 /nfs/dbraw/zinc/53/80/72/969538072.db2.gz PWMSXWJPQKHZHE-UHFFFAOYSA-N 1 2 288.307 1.230 10 5 CDBELO Cc1nc(NCCc2cn(C)c[nH+]2)ncc1[N+](=O)[O-] ZINC001651128504 1171290503 /nfs/dbraw/zinc/29/05/03/1171290503.db2.gz GWDHRNZKQVLJRU-UHFFFAOYSA-N 1 2 262.273 1.081 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)CO ZINC000092507800 341999846 /nfs/dbraw/zinc/99/98/46/341999846.db2.gz JHFHGDOUUIMKCL-UHFFFAOYSA-N 1 2 254.286 1.503 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)CO ZINC000092507800 341999847 /nfs/dbraw/zinc/99/98/47/341999847.db2.gz JHFHGDOUUIMKCL-UHFFFAOYSA-N 1 2 254.286 1.503 10 5 CDBELO Cc1noc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595496434 343077234 /nfs/dbraw/zinc/07/72/34/343077234.db2.gz CBGKPDBZMAQNMW-SNVBAGLBSA-N 1 2 269.301 1.891 10 5 CDBELO Cc1noc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595496434 343077235 /nfs/dbraw/zinc/07/72/35/343077235.db2.gz CBGKPDBZMAQNMW-SNVBAGLBSA-N 1 2 269.301 1.891 10 5 CDBELO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236192448 363012095 /nfs/dbraw/zinc/01/20/95/363012095.db2.gz VAIHAUJOPVECPT-SCZZXKLOSA-N 1 2 279.296 1.614 10 5 CDBELO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000155740531 188225108 /nfs/dbraw/zinc/22/51/08/188225108.db2.gz RFDOMJIKZJGXIN-DTORHVGOSA-N 1 2 283.353 1.821 10 5 CDBELO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000155740531 188225109 /nfs/dbraw/zinc/22/51/09/188225109.db2.gz RFDOMJIKZJGXIN-DTORHVGOSA-N 1 2 283.353 1.821 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000294775910 199177453 /nfs/dbraw/zinc/17/74/53/199177453.db2.gz KRQIJPZUVUCVGQ-LLVKDONJSA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000294775910 199177454 /nfs/dbraw/zinc/17/74/54/199177454.db2.gz KRQIJPZUVUCVGQ-LLVKDONJSA-N 1 2 286.715 1.441 10 5 CDBELO Cn1c[nH+]cc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000572000850 359730172 /nfs/dbraw/zinc/73/01/72/359730172.db2.gz SRMDPXJIPQJYHJ-UHFFFAOYSA-N 1 2 288.307 1.417 10 5 CDBELO COC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000180694158 189270061 /nfs/dbraw/zinc/27/00/61/189270061.db2.gz SFBQIVBJRIHNCJ-GFCCVEGCSA-N 1 2 277.280 1.466 10 5 CDBELO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000301753995 201178178 /nfs/dbraw/zinc/17/81/78/201178178.db2.gz CGTAVKSFOFWNPA-SNVBAGLBSA-N 1 2 280.303 1.146 10 5 CDBELO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1[NH+]1CCOCC1 ZINC000249462211 364722661 /nfs/dbraw/zinc/72/26/61/364722661.db2.gz ZQMABONJXUSBGU-NXEZZACHSA-N 1 2 298.368 1.208 10 5 CDBELO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449420706 374807659 /nfs/dbraw/zinc/80/76/59/374807659.db2.gz KBZTZCWXTCOTGQ-GWCFXTLKSA-N 1 2 280.324 1.893 10 5 CDBELO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449420706 374807665 /nfs/dbraw/zinc/80/76/65/374807665.db2.gz KBZTZCWXTCOTGQ-GWCFXTLKSA-N 1 2 280.324 1.893 10 5 CDBELO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451466987 390623968 /nfs/dbraw/zinc/62/39/68/390623968.db2.gz YUNMMDXXPDZOFC-ZANVPECISA-N 1 2 290.323 1.816 10 5 CDBELO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451466987 390623970 /nfs/dbraw/zinc/62/39/70/390623970.db2.gz YUNMMDXXPDZOFC-ZANVPECISA-N 1 2 290.323 1.816 10 5 CDBELO COc1cccc([N+](=O)[O-])c1N(C)Cc1[nH+]ccn1C ZINC000516193595 390964926 /nfs/dbraw/zinc/96/49/26/390964926.db2.gz NZAWGJLZCQNYDN-UHFFFAOYSA-N 1 2 276.296 1.973 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000412090040 391120749 /nfs/dbraw/zinc/12/07/49/391120749.db2.gz YMRXVHDBMPKKSF-MFKMUULPSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000412090040 391120752 /nfs/dbraw/zinc/12/07/52/391120752.db2.gz YMRXVHDBMPKKSF-MFKMUULPSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532388384 393073173 /nfs/dbraw/zinc/07/31/73/393073173.db2.gz MHYIPTNJBNSPDL-SECBINFHSA-N 1 2 275.268 1.005 10 5 CDBELO C[N@@H+]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000234329831 140229593 /nfs/dbraw/zinc/22/95/93/140229593.db2.gz BIYSIULZHNMOJB-UHFFFAOYSA-N 1 2 279.296 1.078 10 5 CDBELO C[N@H+]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000234329831 140229595 /nfs/dbraw/zinc/22/95/95/140229595.db2.gz BIYSIULZHNMOJB-UHFFFAOYSA-N 1 2 279.296 1.078 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346445958 153191691 /nfs/dbraw/zinc/19/16/91/153191691.db2.gz DTXNKMCPLRVOSO-RISCZKNCSA-N 1 2 289.335 1.962 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346445958 153191692 /nfs/dbraw/zinc/19/16/92/153191692.db2.gz DTXNKMCPLRVOSO-RISCZKNCSA-N 1 2 289.335 1.962 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCc1c[nH+]cn1C ZINC000570343501 294220634 /nfs/dbraw/zinc/22/06/34/294220634.db2.gz KFBRHDLCWRRASE-UHFFFAOYSA-N 1 2 262.269 1.949 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000583918326 325266671 /nfs/dbraw/zinc/26/66/71/325266671.db2.gz BVIVLBWSSLUXOD-UHFFFAOYSA-N 1 2 266.276 1.413 10 5 CDBELO CCNc1ccc(C[N@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000050813454 520298703 /nfs/dbraw/zinc/29/87/03/520298703.db2.gz GWGLEGJQNLVRFT-UHFFFAOYSA-N 1 2 294.355 1.547 10 5 CDBELO CCNc1ccc(C[N@@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000050813454 520298711 /nfs/dbraw/zinc/29/87/11/520298711.db2.gz GWGLEGJQNLVRFT-UHFFFAOYSA-N 1 2 294.355 1.547 10 5 CDBELO COC(=O)[C@@](C)(COc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)C ZINC000045464553 523814712 /nfs/dbraw/zinc/81/47/12/523814712.db2.gz ACHFSSXUSIALLY-CQSZACIVSA-N 1 2 296.323 1.903 10 5 CDBELO Nc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c[nH+]1 ZINC000061680223 527493864 /nfs/dbraw/zinc/49/38/64/527493864.db2.gz NMZXYAUEMJLRFE-UHFFFAOYSA-N 1 2 276.227 1.963 10 5 CDBELO C[S@@](=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000771143778 575552642 /nfs/dbraw/zinc/55/26/42/575552642.db2.gz FBZHUWUNLOKQCN-HXUWFJFHSA-N 1 2 297.380 1.095 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761094936 576547557 /nfs/dbraw/zinc/54/75/57/576547557.db2.gz NPVHQLFFKZSUFE-JOYOIKCWSA-N 1 2 291.307 1.636 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761094936 576547559 /nfs/dbraw/zinc/54/75/59/576547559.db2.gz NPVHQLFFKZSUFE-JOYOIKCWSA-N 1 2 291.307 1.636 10 5 CDBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000898482362 621753615 /nfs/dbraw/zinc/75/36/15/621753615.db2.gz AXIPUFXRYAUJPN-NSHDSACASA-N 1 2 295.314 1.759 10 5 CDBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000898482362 621753623 /nfs/dbraw/zinc/75/36/23/621753623.db2.gz AXIPUFXRYAUJPN-NSHDSACASA-N 1 2 295.314 1.759 10 5 CDBELO Cc1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC001129648929 1162489234 /nfs/dbraw/zinc/48/92/34/1162489234.db2.gz GQZMEVQNCHIQBV-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000038103215 1165822663 /nfs/dbraw/zinc/82/26/63/1165822663.db2.gz KLXAQDDACFLSEP-SECBINFHSA-N 1 2 292.270 1.749 10 5 CDBELO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001658176653 1172019936 /nfs/dbraw/zinc/01/99/36/1172019936.db2.gz OBSGXXBRWGMDSZ-NSHDSACASA-N 1 2 296.302 1.237 10 5 CDBELO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001658176653 1172019948 /nfs/dbraw/zinc/01/99/48/1172019948.db2.gz OBSGXXBRWGMDSZ-NSHDSACASA-N 1 2 296.302 1.237 10 5 CDBELO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000193883483 782357782 /nfs/dbraw/zinc/35/77/82/782357782.db2.gz HAEDVSGUEYXWSV-ZDUSSCGKSA-N 1 2 295.314 1.834 10 5 CDBELO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000193883483 782357796 /nfs/dbraw/zinc/35/77/96/782357796.db2.gz HAEDVSGUEYXWSV-ZDUSSCGKSA-N 1 2 295.314 1.834 10 5 CDBELO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](CCF)C2)nc1 ZINC000865927746 782621592 /nfs/dbraw/zinc/62/15/92/782621592.db2.gz GTJZEKZWILVBLI-VIFPVBQESA-N 1 2 269.280 1.231 10 5 CDBELO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](CCF)C2)nc1 ZINC000865927746 782621596 /nfs/dbraw/zinc/62/15/96/782621596.db2.gz GTJZEKZWILVBLI-VIFPVBQESA-N 1 2 269.280 1.231 10 5 CDBELO [NH3+][C@H](CC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000724727159 781052510 /nfs/dbraw/zinc/05/25/10/781052510.db2.gz JWRZZPCLIRIJFR-SECBINFHSA-N 1 2 273.239 1.194 10 5 CDBELO C[N@H+](CC[N+](=O)[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000931618553 1166771217 /nfs/dbraw/zinc/77/12/17/1166771217.db2.gz RAMHUUNPNFZDNY-GFCCVEGCSA-N 1 2 279.296 1.220 10 5 CDBELO C[N@@H+](CC[N+](=O)[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000931618553 1166771223 /nfs/dbraw/zinc/77/12/23/1166771223.db2.gz RAMHUUNPNFZDNY-GFCCVEGCSA-N 1 2 279.296 1.220 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000852121416 927716250 /nfs/dbraw/zinc/71/62/50/927716250.db2.gz QMTJDHTVOMMNTN-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000852121416 927716258 /nfs/dbraw/zinc/71/62/58/927716258.db2.gz QMTJDHTVOMMNTN-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000852121179 927716955 /nfs/dbraw/zinc/71/69/55/927716955.db2.gz KINSTBCWAISDGI-JTQLQIEISA-N 1 2 277.227 1.093 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000852121179 927716964 /nfs/dbraw/zinc/71/69/64/927716964.db2.gz KINSTBCWAISDGI-JTQLQIEISA-N 1 2 277.227 1.093 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC1(O)CCC1)C2 ZINC001334972686 959500019 /nfs/dbraw/zinc/50/00/19/959500019.db2.gz NOOAAMWKOUARGR-AWEZNQCLSA-N 1 2 292.335 1.576 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC1(O)CCC1)C2 ZINC001334972686 959500032 /nfs/dbraw/zinc/50/00/32/959500032.db2.gz NOOAAMWKOUARGR-AWEZNQCLSA-N 1 2 292.335 1.576 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC000601142309 342480437 /nfs/dbraw/zinc/48/04/37/342480437.db2.gz XZTQRPFKAKUZQC-UHFFFAOYSA-N 1 2 277.259 1.654 10 5 CDBELO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@@H]2C1 ZINC000590444440 342546460 /nfs/dbraw/zinc/54/64/60/342546460.db2.gz LTASKRBWNCNDCF-ZYHUDNBSSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@@H]2C1 ZINC000590444440 342546461 /nfs/dbraw/zinc/54/64/61/342546461.db2.gz LTASKRBWNCNDCF-ZYHUDNBSSA-N 1 2 291.307 1.077 10 5 CDBELO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000593114835 342770180 /nfs/dbraw/zinc/77/01/80/342770180.db2.gz APJFUJNJZKKQMV-ZIAGYGMSSA-N 1 2 292.335 1.973 10 5 CDBELO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000593114835 342770181 /nfs/dbraw/zinc/77/01/81/342770181.db2.gz APJFUJNJZKKQMV-ZIAGYGMSSA-N 1 2 292.335 1.973 10 5 CDBELO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593688896 342823171 /nfs/dbraw/zinc/82/31/71/342823171.db2.gz RGGSUGLNVRDEBR-UTUUHWHFSA-N 1 2 292.360 1.813 10 5 CDBELO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593688896 342823172 /nfs/dbraw/zinc/82/31/72/342823172.db2.gz RGGSUGLNVRDEBR-UTUUHWHFSA-N 1 2 292.360 1.813 10 5 CDBELO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000594405605 342900684 /nfs/dbraw/zinc/90/06/84/342900684.db2.gz YHUBUFLOBLMPEV-JGZJWPJOSA-N 1 2 293.323 1.370 10 5 CDBELO Cc1noc(C[N@H+]2C[C@H](O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595547755 343084940 /nfs/dbraw/zinc/08/49/40/343084940.db2.gz WAUOZEHJLNYILV-VXNVDRBHSA-N 1 2 255.274 1.236 10 5 CDBELO Cc1noc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595547755 343084942 /nfs/dbraw/zinc/08/49/42/343084942.db2.gz WAUOZEHJLNYILV-VXNVDRBHSA-N 1 2 255.274 1.236 10 5 CDBELO CN1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCC1=O ZINC000597214402 343482527 /nfs/dbraw/zinc/48/25/27/343482527.db2.gz PVHSABKJBPXORD-XQRVVYSFSA-N 1 2 289.335 1.772 10 5 CDBELO CN1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCC1=O ZINC000597214402 343482529 /nfs/dbraw/zinc/48/25/29/343482529.db2.gz PVHSABKJBPXORD-XQRVVYSFSA-N 1 2 289.335 1.772 10 5 CDBELO Cc1sc(C(=O)N(C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000597862016 343651871 /nfs/dbraw/zinc/65/18/71/343651871.db2.gz FOIKDKNBNFMIAX-UHFFFAOYSA-N 1 2 280.309 1.960 10 5 CDBELO Cc1sc(C(=O)N(C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000597862016 343651872 /nfs/dbraw/zinc/65/18/72/343651872.db2.gz FOIKDKNBNFMIAX-UHFFFAOYSA-N 1 2 280.309 1.960 10 5 CDBELO C[C@H](CCNC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+](C)C ZINC000597991356 343681592 /nfs/dbraw/zinc/68/15/92/343681592.db2.gz FECQYBZKMIDRLV-SECBINFHSA-N 1 2 281.312 1.370 10 5 CDBELO Cc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000598942153 343924089 /nfs/dbraw/zinc/92/40/89/343924089.db2.gz JBFSLTNFUDKSGX-LLVKDONJSA-N 1 2 286.291 1.454 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598945707 343925358 /nfs/dbraw/zinc/92/53/58/343925358.db2.gz BIGCWCBZSFYOJO-JTQLQIEISA-N 1 2 299.334 1.917 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cnc(N)nc2C1 ZINC000598945707 343925359 /nfs/dbraw/zinc/92/53/59/343925359.db2.gz BIGCWCBZSFYOJO-JTQLQIEISA-N 1 2 299.334 1.917 10 5 CDBELO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598945376 343925529 /nfs/dbraw/zinc/92/55/29/343925529.db2.gz ZYJKKUTUUKBXEW-LLVKDONJSA-N 1 2 286.291 1.075 10 5 CDBELO O=C1C[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CN1 ZINC000599085751 343951301 /nfs/dbraw/zinc/95/13/01/343951301.db2.gz BJKJDXVWAJIYGE-VIFPVBQESA-N 1 2 286.291 1.691 10 5 CDBELO Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000601938778 344286960 /nfs/dbraw/zinc/28/69/60/344286960.db2.gz JGWRXVOCUMPSQK-VIFPVBQESA-N 1 2 274.280 1.215 10 5 CDBELO COc1cc(N2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1F ZINC000610715310 346371663 /nfs/dbraw/zinc/37/16/63/346371663.db2.gz JZKFLOAPFJBUGF-UHFFFAOYSA-N 1 2 292.270 1.959 10 5 CDBELO C[C@H]([C@H](C)O)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276334712 351312711 /nfs/dbraw/zinc/31/27/11/351312711.db2.gz HHOYDZOLYAJDOR-ZJUUUORDSA-N 1 2 266.297 1.427 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337533172 358079513 /nfs/dbraw/zinc/07/95/13/358079513.db2.gz GAGOHXGEIWERSG-NSHDSACASA-N 1 2 277.324 1.566 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337533172 358079515 /nfs/dbraw/zinc/07/95/15/358079515.db2.gz GAGOHXGEIWERSG-NSHDSACASA-N 1 2 277.324 1.566 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCn1cc[nH+]c1 ZINC000299622948 375188165 /nfs/dbraw/zinc/18/81/65/375188165.db2.gz KKMZATBVAYSAJG-UHFFFAOYSA-N 1 2 288.307 1.920 10 5 CDBELO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000217316713 390964414 /nfs/dbraw/zinc/96/44/14/390964414.db2.gz CPQCAPGKMAIWIQ-AOOOYVTPSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000217316713 390964415 /nfs/dbraw/zinc/96/44/15/390964415.db2.gz CPQCAPGKMAIWIQ-AOOOYVTPSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000217316075 140163908 /nfs/dbraw/zinc/16/39/08/140163908.db2.gz BFUKRPUCENMSMX-NXEZZACHSA-N 1 2 293.323 1.513 10 5 CDBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000373580457 160212521 /nfs/dbraw/zinc/21/25/21/160212521.db2.gz FYXKGSSPTNOGDW-GJZGRUSLSA-N 1 2 292.335 1.739 10 5 CDBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000373580457 160212522 /nfs/dbraw/zinc/21/25/22/160212522.db2.gz FYXKGSSPTNOGDW-GJZGRUSLSA-N 1 2 292.335 1.739 10 5 CDBELO COC(=O)[C@H]([NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000044330572 175163265 /nfs/dbraw/zinc/16/32/65/175163265.db2.gz WLAIDLIMIUQNDA-MRVPVSSYSA-N 1 2 258.661 1.291 10 5 CDBELO CCOC(=O)[C@H]([NH3+])Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000044356311 175167432 /nfs/dbraw/zinc/16/74/32/175167432.db2.gz JMIWXOYEFIAKBO-SECBINFHSA-N 1 2 272.688 1.681 10 5 CDBELO COc1cc(NCCc2cn(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000313445325 260294508 /nfs/dbraw/zinc/29/45/08/260294508.db2.gz PDHNFHFDDZACTQ-UHFFFAOYSA-N 1 2 276.296 1.992 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(=N[C@@H]3CCc4[nH+]c[nH]c4C3)[nH]c2c1 ZINC000450532617 275037514 /nfs/dbraw/zinc/03/75/14/275037514.db2.gz QCDIVILIOGRIMS-MRVPVSSYSA-N 1 2 298.306 1.586 10 5 CDBELO CC1(C)OCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449416962 278416998 /nfs/dbraw/zinc/41/69/98/278416998.db2.gz VZOYBMGGYHWPMJ-GFCCVEGCSA-N 1 2 266.297 1.958 10 5 CDBELO Cc1cnc(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000568755855 294095059 /nfs/dbraw/zinc/09/50/59/294095059.db2.gz BBAJHRFPFUUWLZ-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO Cc1cnc(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000568755855 294095062 /nfs/dbraw/zinc/09/50/62/294095062.db2.gz BBAJHRFPFUUWLZ-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO COc1cc[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000572790744 294692347 /nfs/dbraw/zinc/69/23/47/294692347.db2.gz LNXBUFWBZJFWQS-UHFFFAOYSA-N 1 2 288.263 1.323 10 5 CDBELO CC[NH2+][C@](C)(COc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000045462152 520233832 /nfs/dbraw/zinc/23/38/32/520233832.db2.gz KLXKWYRWYWWXOO-CYBMUJFWSA-N 1 2 282.296 1.515 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455458 524964997 /nfs/dbraw/zinc/96/49/97/524964997.db2.gz KQZALHXBZVFPDT-ZETCQYMHSA-N 1 2 282.691 1.735 10 5 CDBELO Cc1ccc(COC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000771976691 575643909 /nfs/dbraw/zinc/64/39/09/575643909.db2.gz YNCPASVKKXTQOV-UHFFFAOYSA-N 1 2 290.279 1.547 10 5 CDBELO O=[N+]([O-])c1ccccc1-c1cc([C@@H]2COCC[NH2+]2)on1 ZINC000901395203 624219878 /nfs/dbraw/zinc/21/98/78/624219878.db2.gz JQTNIQXSKBMVJX-NSHDSACASA-N 1 2 275.264 1.911 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001627392108 1165994526 /nfs/dbraw/zinc/99/45/26/1165994526.db2.gz WMIJEHKJLFOXIE-UHFFFAOYSA-N 1 2 275.268 1.541 10 5 CDBELO Cn1ncc([N+](=O)[O-])c1NCCc1cn2ccccc2[nH+]1 ZINC001642021882 1167150325 /nfs/dbraw/zinc/15/03/25/1167150325.db2.gz SDNWSLUSTGVDQJ-UHFFFAOYSA-N 1 2 286.295 1.631 10 5 CDBELO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ncccn1 ZINC001644305365 1167308012 /nfs/dbraw/zinc/30/80/12/1167308012.db2.gz OLYCEFBXTDDRPM-UHFFFAOYSA-N 1 2 288.307 1.896 10 5 CDBELO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ncccn1 ZINC001644305365 1167308015 /nfs/dbraw/zinc/30/80/15/1167308015.db2.gz OLYCEFBXTDDRPM-UHFFFAOYSA-N 1 2 288.307 1.896 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840084053 936936967 /nfs/dbraw/zinc/93/69/67/936936967.db2.gz UVLJTQGXYPRDSU-GFCCVEGCSA-N 1 2 276.296 1.623 10 5 CDBELO COC[C@H]1CC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840084053 936936969 /nfs/dbraw/zinc/93/69/69/936936969.db2.gz UVLJTQGXYPRDSU-GFCCVEGCSA-N 1 2 276.296 1.623 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000828909926 926205427 /nfs/dbraw/zinc/20/54/27/926205427.db2.gz OXIXSIWANXGCAK-LLVKDONJSA-N 1 2 291.307 1.221 10 5 CDBELO O=C(Cc1[nH]cc[nH+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001147566945 932558416 /nfs/dbraw/zinc/55/84/16/932558416.db2.gz UPGLBOBEFRHEDW-UHFFFAOYSA-N 1 2 272.264 1.450 10 5 CDBELO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc(C)[nH+]1 ZINC001557079149 965141427 /nfs/dbraw/zinc/14/14/27/965141427.db2.gz QCMPEFQWQHIGOC-UHFFFAOYSA-N 1 2 274.280 1.865 10 5 CDBELO O=C(Cc1[nH]cc[nH+]1)NCCc1ccccc1[N+](=O)[O-] ZINC001448757369 967243616 /nfs/dbraw/zinc/24/36/16/967243616.db2.gz SNACPSCVNOJVBY-UHFFFAOYSA-N 1 2 274.280 1.219 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc[nH+]c1 ZINC001452182507 968075826 /nfs/dbraw/zinc/07/58/26/968075826.db2.gz LWRGYDPHCGZYAW-UHFFFAOYSA-N 1 2 275.268 1.472 10 5 CDBELO Nc1nc(NCc2[nH]c3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC001472887245 970721922 /nfs/dbraw/zinc/72/19/22/970721922.db2.gz RLQWTFSVDLYVTN-UHFFFAOYSA-N 1 2 289.299 1.181 10 5 CDBELO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)ccc1[N+](=O)[O-] ZINC000593098487 342766020 /nfs/dbraw/zinc/76/60/20/342766020.db2.gz BIDILTWOPBHXOC-SULUTDIPSA-N 1 2 296.348 1.309 10 5 CDBELO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)ccc1[N+](=O)[O-] ZINC000593098487 342766021 /nfs/dbraw/zinc/76/60/21/342766021.db2.gz BIDILTWOPBHXOC-SULUTDIPSA-N 1 2 296.348 1.309 10 5 CDBELO CC(C)Oc1cc[nH+]c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000593423105 342800596 /nfs/dbraw/zinc/80/05/96/342800596.db2.gz SLMBBXCWRSCUMX-UHFFFAOYSA-N 1 2 289.291 1.987 10 5 CDBELO C[NH+](C)C1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000597490990 343557040 /nfs/dbraw/zinc/55/70/40/343557040.db2.gz CERICQDBDBHIHP-UHFFFAOYSA-N 1 2 265.269 1.333 10 5 CDBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407316528 349899601 /nfs/dbraw/zinc/89/96/01/349899601.db2.gz IBODNTKCZVDCHB-QWRGUYRKSA-N 1 2 291.307 1.770 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000601942628 344289455 /nfs/dbraw/zinc/28/94/55/344289455.db2.gz LQTRBXFQXZHJBC-SNVBAGLBSA-N 1 2 274.280 1.215 10 5 CDBELO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000610506619 346297798 /nfs/dbraw/zinc/29/77/98/346297798.db2.gz GESFDPMQDHCTSH-ZJUUUORDSA-N 1 2 281.337 1.509 10 5 CDBELO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000610506619 346297799 /nfs/dbraw/zinc/29/77/99/346297799.db2.gz GESFDPMQDHCTSH-ZJUUUORDSA-N 1 2 281.337 1.509 10 5 CDBELO C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614530002 348136383 /nfs/dbraw/zinc/13/63/83/348136383.db2.gz VEYIMIPIFDGRHR-SECBINFHSA-N 1 2 271.342 1.159 10 5 CDBELO C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614530002 348136384 /nfs/dbraw/zinc/13/63/84/348136384.db2.gz VEYIMIPIFDGRHR-SECBINFHSA-N 1 2 271.342 1.159 10 5 CDBELO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273470155 192164547 /nfs/dbraw/zinc/16/45/47/192164547.db2.gz RVSJFEPPPATGMT-AWEZNQCLSA-N 1 2 296.298 1.990 10 5 CDBELO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273470155 192164550 /nfs/dbraw/zinc/16/45/50/192164550.db2.gz RVSJFEPPPATGMT-AWEZNQCLSA-N 1 2 296.298 1.990 10 5 CDBELO Cn1c[nH+]cc1Cc1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000357934719 359084080 /nfs/dbraw/zinc/08/40/80/359084080.db2.gz LSRIURZELKVJRS-UHFFFAOYSA-N 1 2 274.240 1.297 10 5 CDBELO Cc1c(C[NH+]2CC(O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000089678766 366908092 /nfs/dbraw/zinc/90/80/92/366908092.db2.gz OSVQWEDNPHHIHV-UHFFFAOYSA-N 1 2 262.309 1.860 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000091673867 374098771 /nfs/dbraw/zinc/09/87/71/374098771.db2.gz TZJFHFJFTXRSQC-JTQLQIEISA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000091673867 374098778 /nfs/dbraw/zinc/09/87/78/374098778.db2.gz TZJFHFJFTXRSQC-JTQLQIEISA-N 1 2 269.276 1.476 10 5 CDBELO O=C1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000094774788 374846558 /nfs/dbraw/zinc/84/65/58/374846558.db2.gz DHZJSCKOKLFUKF-UHFFFAOYSA-N 1 2 267.260 1.056 10 5 CDBELO O=C1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000094774788 374846565 /nfs/dbraw/zinc/84/65/65/374846565.db2.gz DHZJSCKOKLFUKF-UHFFFAOYSA-N 1 2 267.260 1.056 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451423451 390619460 /nfs/dbraw/zinc/61/94/60/390619460.db2.gz FAHAANRRDPUQIP-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451423451 390619462 /nfs/dbraw/zinc/61/94/62/390619462.db2.gz FAHAANRRDPUQIP-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO COC(=O)[C@@H](C1CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000359598410 158304431 /nfs/dbraw/zinc/30/44/31/158304431.db2.gz AHSOHGXXMRQQEP-CYBMUJFWSA-N 1 2 278.308 1.978 10 5 CDBELO COC(=O)[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000359598410 158304434 /nfs/dbraw/zinc/30/44/34/158304434.db2.gz AHSOHGXXMRQQEP-CYBMUJFWSA-N 1 2 278.308 1.978 10 5 CDBELO Cc1sc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000045197260 175326678 /nfs/dbraw/zinc/32/66/78/175326678.db2.gz CTJIDIGXIKMXOO-UHFFFAOYSA-N 1 2 280.309 1.591 10 5 CDBELO O=C(NCCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000078741875 177379672 /nfs/dbraw/zinc/37/96/72/177379672.db2.gz NVVOXYTTWIUOGB-UHFFFAOYSA-N 1 2 278.243 1.430 10 5 CDBELO O=C(NCCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000078741875 177379674 /nfs/dbraw/zinc/37/96/74/177379674.db2.gz NVVOXYTTWIUOGB-UHFFFAOYSA-N 1 2 278.243 1.430 10 5 CDBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000236617325 424106621 /nfs/dbraw/zinc/10/66/21/424106621.db2.gz YUWCCAUBZCDCGN-UHFFFAOYSA-N 1 2 291.307 1.221 10 5 CDBELO CCNc1cc(Cn2cccc([N+](=O)[O-])c2=O)cc[nH+]1 ZINC000052733679 520272869 /nfs/dbraw/zinc/27/28/69/520272869.db2.gz ZQJCVHLJZQXGOI-UHFFFAOYSA-N 1 2 274.280 1.632 10 5 CDBELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817781 521752378 /nfs/dbraw/zinc/75/23/78/521752378.db2.gz HHTWOZLEOLUQEY-GFCCVEGCSA-N 1 2 292.339 1.347 10 5 CDBELO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817781 521752385 /nfs/dbraw/zinc/75/23/85/521752385.db2.gz HHTWOZLEOLUQEY-GFCCVEGCSA-N 1 2 292.339 1.347 10 5 CDBELO CCc1nnc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)[nH]1 ZINC000160634893 522320737 /nfs/dbraw/zinc/32/07/37/522320737.db2.gz WJCAHYZHZZZEQU-UHFFFAOYSA-N 1 2 288.311 1.229 10 5 CDBELO CCc1nnc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)[nH]1 ZINC000160634893 522320742 /nfs/dbraw/zinc/32/07/42/522320742.db2.gz WJCAHYZHZZZEQU-UHFFFAOYSA-N 1 2 288.311 1.229 10 5 CDBELO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000236308933 527356295 /nfs/dbraw/zinc/35/62/95/527356295.db2.gz NWILWLJTDJGXKT-DTWKUNHWSA-N 1 2 279.296 1.756 10 5 CDBELO COC(=O)[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000151654090 630730765 /nfs/dbraw/zinc/73/07/65/630730765.db2.gz CNVIWJXSTKVSDR-NSHDSACASA-N 1 2 296.327 1.251 10 5 CDBELO COC(=O)[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000151654090 630730767 /nfs/dbraw/zinc/73/07/67/630730767.db2.gz CNVIWJXSTKVSDR-NSHDSACASA-N 1 2 296.327 1.251 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000038103214 1165823612 /nfs/dbraw/zinc/82/36/12/1165823612.db2.gz KLXAQDDACFLSEP-VIFPVBQESA-N 1 2 292.270 1.749 10 5 CDBELO Cc1cc(C)c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c[nH+]1 ZINC001626489636 1165940627 /nfs/dbraw/zinc/94/06/27/1165940627.db2.gz XRWFWBKBSMRSRR-UHFFFAOYSA-N 1 2 274.280 1.865 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1 ZINC001641433465 1167106991 /nfs/dbraw/zinc/10/69/91/1167106991.db2.gz SVWOBUFGKNBZKB-LLVKDONJSA-N 1 2 272.264 1.666 10 5 CDBELO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001653618802 1171555869 /nfs/dbraw/zinc/55/58/69/1171555869.db2.gz APACSQZMICIPRA-MADCSZMMSA-N 1 2 272.251 1.828 10 5 CDBELO C[C@H]1[C@@H](O)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001653618802 1171555885 /nfs/dbraw/zinc/55/58/85/1171555885.db2.gz APACSQZMICIPRA-MADCSZMMSA-N 1 2 272.251 1.828 10 5 CDBELO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1C ZINC000928435921 783698026 /nfs/dbraw/zinc/69/80/26/783698026.db2.gz HVRGRRKRVTVLAK-GZMMTYOYSA-N 1 2 279.296 1.123 10 5 CDBELO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1C ZINC000928435921 783698039 /nfs/dbraw/zinc/69/80/39/783698039.db2.gz HVRGRRKRVTVLAK-GZMMTYOYSA-N 1 2 279.296 1.123 10 5 CDBELO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857991251 786040332 /nfs/dbraw/zinc/04/03/32/786040332.db2.gz HJNLXYVTUCSREB-VIFPVBQESA-N 1 2 275.268 1.005 10 5 CDBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000859905510 786390704 /nfs/dbraw/zinc/39/07/04/786390704.db2.gz KWLRCGCOGAFRIV-KGLIPLIRSA-N 1 2 298.314 1.689 10 5 CDBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000859905510 786390709 /nfs/dbraw/zinc/39/07/09/786390709.db2.gz KWLRCGCOGAFRIV-KGLIPLIRSA-N 1 2 298.314 1.689 10 5 CDBELO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)cccc1[N+](=O)[O-] ZINC000857991529 788822377 /nfs/dbraw/zinc/82/23/77/788822377.db2.gz ZVTJBKHUEGCGQK-NSHDSACASA-N 1 2 286.291 1.975 10 5 CDBELO Cc1c(CNC(=O)C[C@@H]([NH3+])C(F)F)cccc1[N+](=O)[O-] ZINC000724704928 897206303 /nfs/dbraw/zinc/20/63/03/897206303.db2.gz VZZFVSMLFZEZHG-SECBINFHSA-N 1 2 287.266 1.502 10 5 CDBELO COC[C@@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001327513434 954915024 /nfs/dbraw/zinc/91/50/24/954915024.db2.gz WHPPKGJPJHLZKH-CYBMUJFWSA-N 1 2 266.297 1.572 10 5 CDBELO COC[C@@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001327513434 954915038 /nfs/dbraw/zinc/91/50/38/954915038.db2.gz WHPPKGJPJHLZKH-CYBMUJFWSA-N 1 2 266.297 1.572 10 5 CDBELO CN(Cc1[nH]cc[nH+]1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979830 342487847 /nfs/dbraw/zinc/48/78/47/342487847.db2.gz YNPAOMXNMRMUEQ-UHFFFAOYSA-N 1 2 277.284 1.029 10 5 CDBELO C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC[NH2+]1 ZINC000235708714 342051519 /nfs/dbraw/zinc/05/15/19/342051519.db2.gz WQGGJSBTYLSERC-GFCCVEGCSA-N 1 2 265.269 1.381 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(C)nn1 ZINC000611931240 346910133 /nfs/dbraw/zinc/91/01/33/346910133.db2.gz KNLKQYMQCZEBEN-UHFFFAOYSA-N 1 2 291.311 1.412 10 5 CDBELO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126727867 187258764 /nfs/dbraw/zinc/25/87/64/187258764.db2.gz VPMRSFMEQDNIKT-QPFGOUBPSA-N 1 2 276.383 1.855 10 5 CDBELO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126727867 187258765 /nfs/dbraw/zinc/25/87/65/187258765.db2.gz VPMRSFMEQDNIKT-QPFGOUBPSA-N 1 2 276.383 1.855 10 5 CDBELO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598343046 343771634 /nfs/dbraw/zinc/77/16/34/343771634.db2.gz RYRYZAJZKRGMMG-JTQLQIEISA-N 1 2 293.323 1.515 10 5 CDBELO CCC[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598343046 343771637 /nfs/dbraw/zinc/77/16/37/343771637.db2.gz RYRYZAJZKRGMMG-JTQLQIEISA-N 1 2 293.323 1.515 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000599160812 343971063 /nfs/dbraw/zinc/97/10/63/343971063.db2.gz ONIBZXDBQRLVLW-SNVBAGLBSA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000599160812 343971066 /nfs/dbraw/zinc/97/10/66/343971066.db2.gz ONIBZXDBQRLVLW-SNVBAGLBSA-N 1 2 269.276 1.476 10 5 CDBELO COc1cc(NCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000291188434 344743911 /nfs/dbraw/zinc/74/39/11/344743911.db2.gz SLWFLSSHJLFYDT-UHFFFAOYSA-N 1 2 262.269 1.949 10 5 CDBELO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000314654712 344913776 /nfs/dbraw/zinc/91/37/76/344913776.db2.gz AAHNQUKPBHWDNJ-BXKDBHETSA-N 1 2 293.323 1.465 10 5 CDBELO O=[N+]([O-])c1c(F)cccc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000301753993 201178606 /nfs/dbraw/zinc/17/86/06/201178606.db2.gz CGTAVKSFOFWNPA-JTQLQIEISA-N 1 2 280.303 1.146 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000414564204 241259896 /nfs/dbraw/zinc/25/98/96/241259896.db2.gz COSVUJNSTOYQTB-XARUKTKKSA-N 1 2 292.335 1.690 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000414564204 241259901 /nfs/dbraw/zinc/25/99/01/241259901.db2.gz COSVUJNSTOYQTB-XARUKTKKSA-N 1 2 292.335 1.690 10 5 CDBELO Cc1cc(N2CC(O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301240295 369914841 /nfs/dbraw/zinc/91/48/41/369914841.db2.gz NZTFNAFTXUFQKY-UHFFFAOYSA-N 1 2 286.291 1.541 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378518625 374648557 /nfs/dbraw/zinc/64/85/57/374648557.db2.gz INTMGUYOKHBVQO-LLVKDONJSA-N 1 2 287.279 1.690 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330471848 374856998 /nfs/dbraw/zinc/85/69/98/374856998.db2.gz OPOHNLFGBJTQGI-BXKDBHETSA-N 1 2 299.352 1.019 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330471848 374857000 /nfs/dbraw/zinc/85/70/00/374857000.db2.gz OPOHNLFGBJTQGI-BXKDBHETSA-N 1 2 299.352 1.019 10 5 CDBELO Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000299306031 375162564 /nfs/dbraw/zinc/16/25/64/375162564.db2.gz AEFXJCSKPDIYKH-UHFFFAOYSA-N 1 2 289.335 1.823 10 5 CDBELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000194735832 375957436 /nfs/dbraw/zinc/95/74/36/375957436.db2.gz PGFLRARJQQEJAN-GFCCVEGCSA-N 1 2 294.311 1.047 10 5 CDBELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000194735832 375957442 /nfs/dbraw/zinc/95/74/42/375957442.db2.gz PGFLRARJQQEJAN-GFCCVEGCSA-N 1 2 294.311 1.047 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000294664541 285117046 /nfs/dbraw/zinc/11/70/46/285117046.db2.gz AKDPVKYDGWRHOQ-LLVKDONJSA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294664541 285117047 /nfs/dbraw/zinc/11/70/47/285117047.db2.gz AKDPVKYDGWRHOQ-LLVKDONJSA-N 1 2 286.715 1.441 10 5 CDBELO C[C@H](O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412072818 391112067 /nfs/dbraw/zinc/11/20/67/391112067.db2.gz LPJUHRIFVZHKGB-GWCFXTLKSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@H](O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412072818 391112071 /nfs/dbraw/zinc/11/20/71/391112071.db2.gz LPJUHRIFVZHKGB-GWCFXTLKSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@H](O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000412074007 391112103 /nfs/dbraw/zinc/11/21/03/391112103.db2.gz MGPVRGFPRWWIKH-FZMZJTMJSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@H](O)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000412074007 391112109 /nfs/dbraw/zinc/11/21/09/391112109.db2.gz MGPVRGFPRWWIKH-FZMZJTMJSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448890323 393127190 /nfs/dbraw/zinc/12/71/90/393127190.db2.gz IIRKEUJPNMDQBH-MWLCHTKSSA-N 1 2 286.291 1.919 10 5 CDBELO CNc1ncnc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040596006 174348982 /nfs/dbraw/zinc/34/89/82/174348982.db2.gz VLZAFFOYXGXHAD-UHFFFAOYSA-N 1 2 277.288 1.125 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ncc[nH]1)CC2 ZINC000347779400 280382584 /nfs/dbraw/zinc/38/25/84/280382584.db2.gz DWAIUMYZJOCHES-UHFFFAOYSA-N 1 2 259.269 1.271 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ncc[nH]1)CC2 ZINC000347779400 280382585 /nfs/dbraw/zinc/38/25/85/280382585.db2.gz DWAIUMYZJOCHES-UHFFFAOYSA-N 1 2 259.269 1.271 10 5 CDBELO CN1CC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153181750 289159996 /nfs/dbraw/zinc/15/99/96/289159996.db2.gz CPJUMGWACRQRKN-CYBMUJFWSA-N 1 2 275.308 1.184 10 5 CDBELO CN1CC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000153181750 289159997 /nfs/dbraw/zinc/15/99/97/289159997.db2.gz CPJUMGWACRQRKN-CYBMUJFWSA-N 1 2 275.308 1.184 10 5 CDBELO CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000295092646 483031277 /nfs/dbraw/zinc/03/12/77/483031277.db2.gz JLHHAHWSQMROGD-RYUDHWBXSA-N 1 2 297.380 1.561 10 5 CDBELO CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000295092646 483031281 /nfs/dbraw/zinc/03/12/81/483031281.db2.gz JLHHAHWSQMROGD-RYUDHWBXSA-N 1 2 297.380 1.561 10 5 CDBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295092646 483031283 /nfs/dbraw/zinc/03/12/83/483031283.db2.gz JLHHAHWSQMROGD-RYUDHWBXSA-N 1 2 297.380 1.561 10 5 CDBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295092646 483031287 /nfs/dbraw/zinc/03/12/87/483031287.db2.gz JLHHAHWSQMROGD-RYUDHWBXSA-N 1 2 297.380 1.561 10 5 CDBELO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1N ZINC000052840994 524359218 /nfs/dbraw/zinc/35/92/18/524359218.db2.gz OSJKEIXTKFEVJK-SNVBAGLBSA-N 1 2 280.328 1.310 10 5 CDBELO C[C@H](C[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000049509321 524360046 /nfs/dbraw/zinc/36/00/46/524360046.db2.gz HESFPQUTMJJNPB-SNVBAGLBSA-N 1 2 266.301 1.122 10 5 CDBELO C[C@H]1C[NH+](Cc2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000050792373 524619931 /nfs/dbraw/zinc/61/99/31/524619931.db2.gz SHBZRVITAZHLDQ-UWVGGRQHSA-N 1 2 265.313 1.786 10 5 CDBELO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1C[NH2+]C1 ZINC000235117035 526130306 /nfs/dbraw/zinc/13/03/06/526130306.db2.gz JOYFDBVXNOOHCN-ZETCQYMHSA-N 1 2 265.269 1.094 10 5 CDBELO CC(C)(CCC(=O)N1CCc2cc[nH+]c(N)c2C1)[N+](=O)[O-] ZINC001170268324 1162321666 /nfs/dbraw/zinc/32/16/66/1162321666.db2.gz LMDAPKRGFDRUGX-UHFFFAOYSA-N 1 2 292.339 1.384 10 5 CDBELO Cn1c[nH+]cc1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001625048229 1165882108 /nfs/dbraw/zinc/88/21/08/1165882108.db2.gz VGYSPXGUMYZFFB-UHFFFAOYSA-N 1 2 292.270 1.440 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH+]cn1C ZINC001627391892 1165994755 /nfs/dbraw/zinc/99/47/55/1165994755.db2.gz VROSRTDOGVKOKP-UHFFFAOYSA-N 1 2 289.295 1.551 10 5 CDBELO Cn1c[nH+]cc1Cn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001641459050 1167109606 /nfs/dbraw/zinc/10/96/06/1167109606.db2.gz RBWBCAYNNOFLIF-UHFFFAOYSA-N 1 2 285.267 1.030 10 5 CDBELO O=[N+]([O-])c1cnc(NCc2[nH]c3c([nH+]2)CCCC3)nc1 ZINC001655889152 1171735591 /nfs/dbraw/zinc/73/55/91/1171735591.db2.gz BBHDKLWJVJLNHE-UHFFFAOYSA-N 1 2 274.284 1.599 10 5 CDBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])o1 ZINC001597580145 1174282275 /nfs/dbraw/zinc/28/22/75/1174282275.db2.gz XYTAGCNHHDYADW-UHFFFAOYSA-N 1 2 290.279 1.720 10 5 CDBELO Cc1ccc(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000829838451 790097132 /nfs/dbraw/zinc/09/71/32/790097132.db2.gz ZFTIAZKOQOUKLB-UHFFFAOYSA-N 1 2 277.240 1.760 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000852121415 790243998 /nfs/dbraw/zinc/24/39/98/790243998.db2.gz QMTJDHTVOMMNTN-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000852121415 790244011 /nfs/dbraw/zinc/24/40/11/790244011.db2.gz QMTJDHTVOMMNTN-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928223 791319264 /nfs/dbraw/zinc/31/92/64/791319264.db2.gz ULHFANBMYANJJK-SNVBAGLBSA-N 1 2 286.282 1.975 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928223 791319272 /nfs/dbraw/zinc/31/92/72/791319272.db2.gz ULHFANBMYANJJK-SNVBAGLBSA-N 1 2 286.282 1.975 10 5 CDBELO C[N@H+](CCn1cnnc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001175853200 913827073 /nfs/dbraw/zinc/82/70/73/913827073.db2.gz CBWZOEHYRWMIDH-UHFFFAOYSA-N 1 2 279.275 1.457 10 5 CDBELO C[N@@H+](CCn1cnnc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC001175853200 913827086 /nfs/dbraw/zinc/82/70/86/913827086.db2.gz CBWZOEHYRWMIDH-UHFFFAOYSA-N 1 2 279.275 1.457 10 5 CDBELO C[C@@H](CC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013005 936454061 /nfs/dbraw/zinc/45/40/61/936454061.db2.gz AQUYYKBGVRLQDV-VIFPVBQESA-N 1 2 281.312 1.827 10 5 CDBELO O=C(Nn1cccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001557490481 965179697 /nfs/dbraw/zinc/17/96/97/965179697.db2.gz OLYSXMOVYGKEIY-UHFFFAOYSA-N 1 2 298.262 1.361 10 5 CDBELO CC[C@H](C[N+](=O)[O-])OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001349805950 966479378 /nfs/dbraw/zinc/47/93/78/966479378.db2.gz PVDNLYHXSHMIIC-VHSXEESVSA-N 1 2 255.274 1.433 10 5 CDBELO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1-n1cc[nH+]c1 ZINC000601100406 342464090 /nfs/dbraw/zinc/46/40/90/342464090.db2.gz JYXLZDVDCDXKMA-UHFFFAOYSA-N 1 2 261.163 1.533 10 5 CDBELO Cn1c[nH+]cc1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000401813939 342876502 /nfs/dbraw/zinc/87/65/02/342876502.db2.gz WFXBDRYSCHRKID-UHFFFAOYSA-N 1 2 290.279 1.006 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000595561747 343098500 /nfs/dbraw/zinc/09/85/00/343098500.db2.gz CPMCZWJSBZXDDE-ADWYPQAOSA-N 1 2 284.312 1.439 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000595561747 343098502 /nfs/dbraw/zinc/09/85/02/343098502.db2.gz CPMCZWJSBZXDDE-ADWYPQAOSA-N 1 2 284.312 1.439 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000595561746 343098777 /nfs/dbraw/zinc/09/87/77/343098777.db2.gz CPMCZWJSBZXDDE-ZHYXMNDGSA-N 1 2 284.312 1.439 10 5 CDBELO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000595561746 343098778 /nfs/dbraw/zinc/09/87/78/343098778.db2.gz CPMCZWJSBZXDDE-ZHYXMNDGSA-N 1 2 284.312 1.439 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826435 343167030 /nfs/dbraw/zinc/16/70/30/343167030.db2.gz BPHXDYGXDPYGLK-ZYHUDNBSSA-N 1 2 278.308 1.769 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826435 343167032 /nfs/dbraw/zinc/16/70/32/343167032.db2.gz BPHXDYGXDPYGLK-ZYHUDNBSSA-N 1 2 278.308 1.769 10 5 CDBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1csc([N+](=O)[O-])c1 ZINC000598945031 343925565 /nfs/dbraw/zinc/92/55/65/343925565.db2.gz XLZMAQKWMVNSIZ-QMMMGPOBSA-N 1 2 278.293 1.208 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cn(C)nn1 ZINC000611184930 346633419 /nfs/dbraw/zinc/63/34/19/346633419.db2.gz GITPYWOKWFBSMC-SNVBAGLBSA-N 1 2 275.312 1.916 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cn(C)nn1 ZINC000611184930 346633421 /nfs/dbraw/zinc/63/34/21/346633421.db2.gz GITPYWOKWFBSMC-SNVBAGLBSA-N 1 2 275.312 1.916 10 5 CDBELO Nc1c(C(=O)N2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000157324237 188309678 /nfs/dbraw/zinc/30/96/78/188309678.db2.gz TXFGIDJNCLCHPG-UHFFFAOYSA-N 1 2 290.323 1.097 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000408429523 359770733 /nfs/dbraw/zinc/77/07/33/359770733.db2.gz KTUGWQGPPFHNSD-UHFFFAOYSA-N 1 2 282.344 1.718 10 5 CDBELO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182129474 365073180 /nfs/dbraw/zinc/07/31/80/365073180.db2.gz MTMPXFQANFNRGW-JTQLQIEISA-N 1 2 295.339 1.761 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000091673864 374098909 /nfs/dbraw/zinc/09/89/09/374098909.db2.gz TZJFHFJFTXRSQC-SNVBAGLBSA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000091673864 374098914 /nfs/dbraw/zinc/09/89/14/374098914.db2.gz TZJFHFJFTXRSQC-SNVBAGLBSA-N 1 2 269.276 1.476 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000331123043 374890215 /nfs/dbraw/zinc/89/02/15/374890215.db2.gz BUQLSWFYFGVHGT-STQMWFEESA-N 1 2 293.367 1.654 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000331123043 374890218 /nfs/dbraw/zinc/89/02/18/374890218.db2.gz BUQLSWFYFGVHGT-STQMWFEESA-N 1 2 293.367 1.654 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185946809 391078935 /nfs/dbraw/zinc/07/89/35/391078935.db2.gz JKBAMGFLGAIMPI-CQSZACIVSA-N 1 2 295.314 1.964 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185946809 391078940 /nfs/dbraw/zinc/07/89/40/391078940.db2.gz JKBAMGFLGAIMPI-CQSZACIVSA-N 1 2 295.314 1.964 10 5 CDBELO Cc1noc(C[N@@H+]2CCOCC3(CC3)C2)c1[N+](=O)[O-] ZINC000595424120 392567298 /nfs/dbraw/zinc/56/72/98/392567298.db2.gz FKHICFATXXMRCD-UHFFFAOYSA-N 1 2 267.285 1.504 10 5 CDBELO Cc1noc(C[N@H+]2CCOCC3(CC3)C2)c1[N+](=O)[O-] ZINC000595424120 392567300 /nfs/dbraw/zinc/56/73/00/392567300.db2.gz FKHICFATXXMRCD-UHFFFAOYSA-N 1 2 267.285 1.504 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000549466345 392583024 /nfs/dbraw/zinc/58/30/24/392583024.db2.gz BVGNOHMZNVWSSS-UHFFFAOYSA-N 1 2 266.297 1.911 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000549466345 392583026 /nfs/dbraw/zinc/58/30/26/392583026.db2.gz BVGNOHMZNVWSSS-UHFFFAOYSA-N 1 2 266.297 1.911 10 5 CDBELO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449416963 278414493 /nfs/dbraw/zinc/41/44/93/278414493.db2.gz VZOYBMGGYHWPMJ-LBPRGKRZSA-N 1 2 266.297 1.958 10 5 CDBELO CCCNc1cc(Cn2cnc([N+](=O)[O-])n2)cc[nH+]1 ZINC000052733506 520139223 /nfs/dbraw/zinc/13/92/23/520139223.db2.gz AHBFBCNVBXTTOH-UHFFFAOYSA-N 1 2 262.273 1.452 10 5 CDBELO CCN(CC)C(=O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817132 520472311 /nfs/dbraw/zinc/47/23/11/520472311.db2.gz HZNYRJDPDYKBMX-UHFFFAOYSA-N 1 2 294.355 1.477 10 5 CDBELO CCN(CC)C(=O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817132 520472313 /nfs/dbraw/zinc/47/23/13/520472313.db2.gz HZNYRJDPDYKBMX-UHFFFAOYSA-N 1 2 294.355 1.477 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]([NH3+])[C@@H](C)O)n1 ZINC000050441169 526069754 /nfs/dbraw/zinc/06/97/54/526069754.db2.gz MYGGZUJUAXBXKI-XCBNKYQSSA-N 1 2 278.268 1.334 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c(Cl)c1 ZINC000184011487 527350941 /nfs/dbraw/zinc/35/09/41/527350941.db2.gz KTJUSGDURBSNFL-MNOVXSKESA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(Cl)c1 ZINC000184011487 527350943 /nfs/dbraw/zinc/35/09/43/527350943.db2.gz KTJUSGDURBSNFL-MNOVXSKESA-N 1 2 286.715 1.176 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cccc([N+](=O)[O-])c1 ZINC001634084937 1166468174 /nfs/dbraw/zinc/46/81/74/1166468174.db2.gz LVXBAGGFZPXYQE-LLVKDONJSA-N 1 2 272.264 1.666 10 5 CDBELO CC(C)c1[nH]c(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c[nH+]1 ZINC001639428238 1166936122 /nfs/dbraw/zinc/93/61/22/1166936122.db2.gz YOVPABLEXLLJQW-UHFFFAOYSA-N 1 2 278.272 1.094 10 5 CDBELO Cc1noc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1[N+](=O)[O-] ZINC000852294974 927761317 /nfs/dbraw/zinc/76/13/17/927761317.db2.gz OBBNONIKHOIVKO-UHFFFAOYSA-N 1 2 292.295 1.261 10 5 CDBELO Cc1noc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c1[N+](=O)[O-] ZINC000852294974 927761323 /nfs/dbraw/zinc/76/13/23/927761323.db2.gz OBBNONIKHOIVKO-UHFFFAOYSA-N 1 2 292.295 1.261 10 5 CDBELO CON1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846986777 932176565 /nfs/dbraw/zinc/17/65/65/932176565.db2.gz VTHWLSWCIIDZJQ-NSHDSACASA-N 1 2 265.313 1.835 10 5 CDBELO [NH3+][C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CCC1 ZINC000592258613 342683493 /nfs/dbraw/zinc/68/34/93/342683493.db2.gz ZFPSCQMBAXMDFG-NSHDSACASA-N 1 2 265.269 1.366 10 5 CDBELO CCC[N@H+](CC(=O)N(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000056511149 342237519 /nfs/dbraw/zinc/23/75/19/342237519.db2.gz NONLABZGAXSGLQ-UHFFFAOYSA-N 1 2 285.369 1.957 10 5 CDBELO CCC[N@@H+](CC(=O)N(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000056511149 342237520 /nfs/dbraw/zinc/23/75/20/342237520.db2.gz NONLABZGAXSGLQ-UHFFFAOYSA-N 1 2 285.369 1.957 10 5 CDBELO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596817873 343399236 /nfs/dbraw/zinc/39/92/36/343399236.db2.gz ULWJDWMFAFNYRB-QMMMGPOBSA-N 1 2 290.283 1.028 10 5 CDBELO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1O ZINC000599065833 343948074 /nfs/dbraw/zinc/94/80/74/343948074.db2.gz ROFDXCQFFASQDV-NOZJJQNGSA-N 1 2 273.292 1.960 10 5 CDBELO O=C1C[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CN1 ZINC000599085750 343951186 /nfs/dbraw/zinc/95/11/86/343951186.db2.gz BJKJDXVWAJIYGE-SECBINFHSA-N 1 2 286.291 1.691 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611502281 346806103 /nfs/dbraw/zinc/80/61/03/346806103.db2.gz QSJXKFRAWPQNNA-SKDRFNHKSA-N 1 2 295.314 1.874 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1F ZINC000611502281 346806104 /nfs/dbraw/zinc/80/61/04/346806104.db2.gz QSJXKFRAWPQNNA-SKDRFNHKSA-N 1 2 295.314 1.874 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000293649314 362803217 /nfs/dbraw/zinc/80/32/17/362803217.db2.gz SJCFOFNLCBQKJD-LLVKDONJSA-N 1 2 254.261 1.955 10 5 CDBELO COC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000293649314 362803221 /nfs/dbraw/zinc/80/32/21/362803221.db2.gz SJCFOFNLCBQKJD-LLVKDONJSA-N 1 2 254.261 1.955 10 5 CDBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286467444 356460055 /nfs/dbraw/zinc/46/00/55/356460055.db2.gz NKKYTECHGRIELX-SECBINFHSA-N 1 2 290.270 1.147 10 5 CDBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000286467444 356460057 /nfs/dbraw/zinc/46/00/57/356460057.db2.gz NKKYTECHGRIELX-SECBINFHSA-N 1 2 290.270 1.147 10 5 CDBELO CCc1nn(C)c(N(C)Cc2ccc(N)[nH+]c2)c1[N+](=O)[O-] ZINC000361013801 357774032 /nfs/dbraw/zinc/77/40/32/357774032.db2.gz KRGTXMBGQNQFSW-UHFFFAOYSA-N 1 2 290.327 1.335 10 5 CDBELO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339127560 359296723 /nfs/dbraw/zinc/29/67/23/359296723.db2.gz UNZQVYQZJVCANU-BXKDBHETSA-N 1 2 266.297 1.815 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000339786851 359444265 /nfs/dbraw/zinc/44/42/65/359444265.db2.gz IDOUEHCUPXICHL-LLVKDONJSA-N 1 2 266.297 1.647 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000339786851 359444267 /nfs/dbraw/zinc/44/42/67/359444267.db2.gz IDOUEHCUPXICHL-LLVKDONJSA-N 1 2 266.297 1.647 10 5 CDBELO Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000414587840 241269124 /nfs/dbraw/zinc/26/91/24/241269124.db2.gz QDUCGYJKEHGUFQ-RISCZKNCSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1ccc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000414587840 241269129 /nfs/dbraw/zinc/26/91/29/241269129.db2.gz QDUCGYJKEHGUFQ-RISCZKNCSA-N 1 2 280.324 1.485 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000302825476 201566770 /nfs/dbraw/zinc/56/67/70/201566770.db2.gz YXAFSUSZVXFLIV-NSHDSACASA-N 1 2 280.303 1.146 10 5 CDBELO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000283081561 195786785 /nfs/dbraw/zinc/78/67/85/195786785.db2.gz LAWUTBDESVMDJU-LLVKDONJSA-N 1 2 278.308 1.885 10 5 CDBELO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000283081561 195786786 /nfs/dbraw/zinc/78/67/86/195786786.db2.gz LAWUTBDESVMDJU-LLVKDONJSA-N 1 2 278.308 1.885 10 5 CDBELO Cn1c[nH+]cc1CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000287465691 390909717 /nfs/dbraw/zinc/90/97/17/390909717.db2.gz HPXPVTARHRJFHA-UHFFFAOYSA-N 1 2 282.687 1.386 10 5 CDBELO CC1(CO)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459624055 392493962 /nfs/dbraw/zinc/49/39/62/392493962.db2.gz TUOPNHNREJTWFI-GQCTYLIASA-N 1 2 262.309 1.922 10 5 CDBELO O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)nc1 ZINC000267441704 296506390 /nfs/dbraw/zinc/50/63/90/296506390.db2.gz YUZQJPIATMEZJQ-GFCCVEGCSA-N 1 2 273.296 1.855 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347506068 397685572 /nfs/dbraw/zinc/68/55/72/397685572.db2.gz AFQFVBOBRCFKJW-UHFFFAOYSA-N 1 2 275.268 1.294 10 5 CDBELO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000236301762 295304520 /nfs/dbraw/zinc/30/45/20/295304520.db2.gz NWILWLJTDJGXKT-RKDXNWHRSA-N 1 2 279.296 1.756 10 5 CDBELO CC[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000062540993 520093413 /nfs/dbraw/zinc/09/34/13/520093413.db2.gz JZTWLUYOTLXMOP-ZDUSSCGKSA-N 1 2 296.323 1.905 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CC(=O)NC ZINC000050815092 520331130 /nfs/dbraw/zinc/33/11/30/520331130.db2.gz ORXWUGZQCRCKFR-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CC(=O)NC ZINC000050815092 520331135 /nfs/dbraw/zinc/33/11/35/520331135.db2.gz ORXWUGZQCRCKFR-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO COC(=O)[C@](C)([NH3+])COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471981 524000989 /nfs/dbraw/zinc/00/09/89/524000989.db2.gz DOAHJRVEIPSSOJ-LLVKDONJSA-N 1 2 288.687 1.517 10 5 CDBELO Cc1ccc(OCc2ccc[nH+]c2N)c([N+](=O)[O-])n1 ZINC000052755596 525445112 /nfs/dbraw/zinc/44/51/12/525445112.db2.gz NKICCHCDSVNQSP-UHFFFAOYSA-N 1 2 260.253 1.854 10 5 CDBELO Cc1cnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000061320349 526040267 /nfs/dbraw/zinc/04/02/67/526040267.db2.gz DWWQUMFXCURNQS-UHFFFAOYSA-N 1 2 258.281 1.983 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]([NH3+])[C@H](C)O)n1 ZINC000050441170 526068930 /nfs/dbraw/zinc/06/89/30/526068930.db2.gz MYGGZUJUAXBXKI-OIBJUYFYSA-N 1 2 278.268 1.334 10 5 CDBELO Nc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050815254 527482130 /nfs/dbraw/zinc/48/21/30/527482130.db2.gz FWSDISIXANTLEW-GXTWGEPZSA-N 1 2 277.324 1.930 10 5 CDBELO Nc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050815254 527482134 /nfs/dbraw/zinc/48/21/34/527482134.db2.gz FWSDISIXANTLEW-GXTWGEPZSA-N 1 2 277.324 1.930 10 5 CDBELO Cc1c[nH+]cc(C)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001133453091 1163731080 /nfs/dbraw/zinc/73/10/80/1163731080.db2.gz NBOYWEBVFSAPEH-UHFFFAOYSA-N 1 2 261.237 1.874 10 5 CDBELO CC(C)c1[nH]cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])[nH+]1 ZINC001639428238 1166936116 /nfs/dbraw/zinc/93/61/16/1166936116.db2.gz YOVPABLEXLLJQW-UHFFFAOYSA-N 1 2 278.272 1.094 10 5 CDBELO Nc1ncc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC001640088751 1166994309 /nfs/dbraw/zinc/99/43/09/1166994309.db2.gz URHCJRWVDAVSDD-UHFFFAOYSA-N 1 2 298.262 1.472 10 5 CDBELO Cc1nn(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844757829 814762808 /nfs/dbraw/zinc/76/28/08/814762808.db2.gz KXUBFJVRNYQARZ-SNVBAGLBSA-N 1 2 272.255 1.788 10 5 CDBELO Cc1nn(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844757829 814762813 /nfs/dbraw/zinc/76/28/13/814762813.db2.gz KXUBFJVRNYQARZ-SNVBAGLBSA-N 1 2 272.255 1.788 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1CN1CCn2c[nH+]cc2C1 ZINC000821270693 812856208 /nfs/dbraw/zinc/85/62/08/812856208.db2.gz NAWBXHXVNHQBKE-UHFFFAOYSA-N 1 2 276.271 1.946 10 5 CDBELO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872067062 814671113 /nfs/dbraw/zinc/67/11/13/814671113.db2.gz UTDXSFFJPMLNIY-BDAKNGLRSA-N 1 2 283.303 1.861 10 5 CDBELO Nc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC001149164603 936902229 /nfs/dbraw/zinc/90/22/29/936902229.db2.gz SQXNTJJUPFTCMJ-JTQLQIEISA-N 1 2 287.279 1.248 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840082266 936936900 /nfs/dbraw/zinc/93/69/00/936936900.db2.gz CKGCLOFSCNCOJQ-GFCCVEGCSA-N 1 2 276.296 1.623 10 5 CDBELO COC[C@H]1CC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840082266 936936902 /nfs/dbraw/zinc/93/69/02/936936902.db2.gz CKGCLOFSCNCOJQ-GFCCVEGCSA-N 1 2 276.296 1.623 10 5 CDBELO C[N@@H+](Cc1ncccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001197304116 925111223 /nfs/dbraw/zinc/11/12/23/925111223.db2.gz IILMBRCCGVDROT-ZDUSSCGKSA-N 1 2 288.307 1.550 10 5 CDBELO C[N@H+](Cc1ncccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001197304116 925111227 /nfs/dbraw/zinc/11/12/27/925111227.db2.gz IILMBRCCGVDROT-ZDUSSCGKSA-N 1 2 288.307 1.550 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001444511938 965857743 /nfs/dbraw/zinc/85/77/43/965857743.db2.gz IWHWVJUWJMWJQS-CYBMUJFWSA-N 1 2 275.308 1.578 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001444511938 965857750 /nfs/dbraw/zinc/85/77/50/965857750.db2.gz IWHWVJUWJMWJQS-CYBMUJFWSA-N 1 2 275.308 1.578 10 5 CDBELO O=C(Nc1nc[nH]n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001457527741 969175836 /nfs/dbraw/zinc/17/58/36/969175836.db2.gz BYSFXHXOADSDIJ-UHFFFAOYSA-N 1 2 299.250 1.151 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000295032867 199311458 /nfs/dbraw/zinc/31/14/58/199311458.db2.gz OCEMWPDNCJEBIZ-JTQLQIEISA-N 1 2 263.297 1.224 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000295032867 199311460 /nfs/dbraw/zinc/31/14/60/199311460.db2.gz OCEMWPDNCJEBIZ-JTQLQIEISA-N 1 2 263.297 1.224 10 5 CDBELO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293411305 362559175 /nfs/dbraw/zinc/55/91/75/362559175.db2.gz MLIMOMJLGZEVKP-UWVGGRQHSA-N 1 2 263.297 1.874 10 5 CDBELO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293411305 362559179 /nfs/dbraw/zinc/55/91/79/362559179.db2.gz MLIMOMJLGZEVKP-UWVGGRQHSA-N 1 2 263.297 1.874 10 5 CDBELO O=C(Cn1cc[nH+]c1)NCc1cccc([N+](=O)[O-])c1 ZINC000073100450 345409894 /nfs/dbraw/zinc/40/98/94/345409894.db2.gz BVJPVDDOHJXCMG-UHFFFAOYSA-N 1 2 260.253 1.108 10 5 CDBELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000610016445 346058037 /nfs/dbraw/zinc/05/80/37/346058037.db2.gz XEZRPHWYSPQOAB-UHFFFAOYSA-N 1 2 299.246 1.595 10 5 CDBELO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1CF ZINC000116057924 349336029 /nfs/dbraw/zinc/33/60/29/349336029.db2.gz DISUSPPTVCJBJH-JTQLQIEISA-N 1 2 254.265 1.080 10 5 CDBELO C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1CF ZINC000116057924 349336030 /nfs/dbraw/zinc/33/60/30/349336030.db2.gz DISUSPPTVCJBJH-JTQLQIEISA-N 1 2 254.265 1.080 10 5 CDBELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000338925525 359235555 /nfs/dbraw/zinc/23/55/55/359235555.db2.gz AUAOZFCBBXELMU-SECBINFHSA-N 1 2 280.280 1.295 10 5 CDBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000338925525 359235561 /nfs/dbraw/zinc/23/55/61/359235561.db2.gz AUAOZFCBBXELMU-SECBINFHSA-N 1 2 280.280 1.295 10 5 CDBELO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])cn1 ZINC000135982183 360209281 /nfs/dbraw/zinc/20/92/81/360209281.db2.gz UMDRBDGMELMCRH-UHFFFAOYSA-N 1 2 259.269 1.603 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348773934 360577501 /nfs/dbraw/zinc/57/75/01/360577501.db2.gz JYUOVZNZTAQOJG-LLVKDONJSA-N 1 2 295.314 1.250 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348773934 360577503 /nfs/dbraw/zinc/57/75/03/360577503.db2.gz JYUOVZNZTAQOJG-LLVKDONJSA-N 1 2 295.314 1.250 10 5 CDBELO Cc1sc(C(=O)NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000264269952 364830749 /nfs/dbraw/zinc/83/07/49/364830749.db2.gz GBTASBGEQBJWHX-UHFFFAOYSA-N 1 2 280.309 1.628 10 5 CDBELO O=c1ccn(Cc2c[nH+]c3ccccn23)cc1[N+](=O)[O-] ZINC000179899992 372322379 /nfs/dbraw/zinc/32/23/79/372322379.db2.gz JZRCQJUAWCHKEP-UHFFFAOYSA-N 1 2 270.248 1.453 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190108197 377749399 /nfs/dbraw/zinc/74/93/99/377749399.db2.gz FXVRRBMSSCYWSZ-UHIISALHSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000190108197 377749405 /nfs/dbraw/zinc/74/94/05/377749405.db2.gz FXVRRBMSSCYWSZ-UHIISALHSA-N 1 2 280.324 1.737 10 5 CDBELO CC1(C(N)=O)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000592136140 392072919 /nfs/dbraw/zinc/07/29/19/392072919.db2.gz CKAJRSNOLVCCCR-UHFFFAOYSA-N 1 2 290.279 1.043 10 5 CDBELO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282023527 393168264 /nfs/dbraw/zinc/16/82/64/393168264.db2.gz FDBXXMHARYSZDQ-JTQLQIEISA-N 1 2 263.297 1.257 10 5 CDBELO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282023527 393168266 /nfs/dbraw/zinc/16/82/66/393168266.db2.gz FDBXXMHARYSZDQ-JTQLQIEISA-N 1 2 263.297 1.257 10 5 CDBELO O=C(NCc1c[nH+]c[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000359122728 158133202 /nfs/dbraw/zinc/13/32/02/158133202.db2.gz HJTKKNJKLXRZGH-UHFFFAOYSA-N 1 2 285.263 1.729 10 5 CDBELO O=C(NCc1c[nH]c[nH+]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000359122728 158133204 /nfs/dbraw/zinc/13/32/04/158133204.db2.gz HJTKKNJKLXRZGH-UHFFFAOYSA-N 1 2 285.263 1.729 10 5 CDBELO COc1ccc(C[NH2+]Cc2nc(C)no2)cc1[N+](=O)[O-] ZINC000038034786 174033417 /nfs/dbraw/zinc/03/34/17/174033417.db2.gz DLUQGWXPYQZFNG-UHFFFAOYSA-N 1 2 278.268 1.585 10 5 CDBELO Cc1cccc(C(=O)NCCc2c[nH+]c[nH]2)c1[N+](=O)[O-] ZINC000078723419 177375563 /nfs/dbraw/zinc/37/55/63/177375563.db2.gz ZFECEKSFTOIOGD-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO Cc1cccc(C(=O)NCCc2c[nH]c[nH+]2)c1[N+](=O)[O-] ZINC000078723419 177375565 /nfs/dbraw/zinc/37/55/65/177375565.db2.gz ZFECEKSFTOIOGD-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO O=C1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000103470602 270235137 /nfs/dbraw/zinc/23/51/37/270235137.db2.gz PTAGHXJIUVKNQH-UHFFFAOYSA-N 1 2 267.260 1.056 10 5 CDBELO O=C1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000103470602 270235139 /nfs/dbraw/zinc/23/51/39/270235139.db2.gz PTAGHXJIUVKNQH-UHFFFAOYSA-N 1 2 267.260 1.056 10 5 CDBELO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)Cn1cc[nH+]c1 ZINC000532144236 281925077 /nfs/dbraw/zinc/92/50/77/281925077.db2.gz SLSRVVAXRATVRK-JTQLQIEISA-N 1 2 289.295 1.252 10 5 CDBELO CCCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153088821 289156705 /nfs/dbraw/zinc/15/67/05/289156705.db2.gz QVLRBAKKMMRJSI-NSHDSACASA-N 1 2 291.351 1.868 10 5 CDBELO CCCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153088821 289156706 /nfs/dbraw/zinc/15/67/06/289156706.db2.gz QVLRBAKKMMRJSI-NSHDSACASA-N 1 2 291.351 1.868 10 5 CDBELO Cn1c[nH+]cc1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000561523562 293089686 /nfs/dbraw/zinc/08/96/86/293089686.db2.gz XKGIXPPSQOEDCD-UHFFFAOYSA-N 1 2 276.252 1.215 10 5 CDBELO CCCNc1ccc(Cn2cnc([N+](=O)[O-])n2)c[nH+]1 ZINC000050829596 520165116 /nfs/dbraw/zinc/16/51/16/520165116.db2.gz IHPZQUBIEZVVKC-UHFFFAOYSA-N 1 2 262.273 1.452 10 5 CDBELO C[NH2+][C@@](C)(C[C@H](C)Oc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000068651561 522419480 /nfs/dbraw/zinc/41/94/80/522419480.db2.gz MAEWMQIZURMZRM-HZMBPMFUSA-N 1 2 296.323 1.903 10 5 CDBELO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761515692 576580104 /nfs/dbraw/zinc/58/01/04/576580104.db2.gz VLWUWWMBNOCJPN-SECBINFHSA-N 1 2 298.730 1.491 10 5 CDBELO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761515692 576580106 /nfs/dbraw/zinc/58/01/06/576580106.db2.gz VLWUWWMBNOCJPN-SECBINFHSA-N 1 2 298.730 1.491 10 5 CDBELO CC(C)(CCC(=O)NCC(C)(C)n1cc[nH+]c1)[N+](=O)[O-] ZINC000898909076 621949034 /nfs/dbraw/zinc/94/90/34/621949034.db2.gz ISXQKHCLXMFULX-UHFFFAOYSA-N 1 2 282.344 1.570 10 5 CDBELO Cc1nn(C[N@H+](C)C[C@H]2CCCO2)c(C)c1[N+](=O)[O-] ZINC000151757393 630735881 /nfs/dbraw/zinc/73/58/81/630735881.db2.gz LARKXUZLVLJDNT-LLVKDONJSA-N 1 2 268.317 1.476 10 5 CDBELO Cc1nn(C[N@@H+](C)C[C@H]2CCCO2)c(C)c1[N+](=O)[O-] ZINC000151757393 630735882 /nfs/dbraw/zinc/73/58/82/630735882.db2.gz LARKXUZLVLJDNT-LLVKDONJSA-N 1 2 268.317 1.476 10 5 CDBELO COC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000167525308 819568591 /nfs/dbraw/zinc/56/85/91/819568591.db2.gz WYAHGWJPPLDLTI-SECBINFHSA-N 1 2 264.241 1.291 10 5 CDBELO Cc1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)cc1[N+](=O)[O-] ZINC000720576168 820173227 /nfs/dbraw/zinc/17/32/27/820173227.db2.gz TYAWPMXOSKRXJP-JTQLQIEISA-N 1 2 275.312 1.883 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC001567175280 1168605545 /nfs/dbraw/zinc/60/55/45/1168605545.db2.gz VKCLWEZCHNPTHT-UHFFFAOYSA-N 1 2 274.280 1.219 10 5 CDBELO O=[N+]([O-])c1cccc(C[NH2+]Cc2noc3c2COCC3)c1 ZINC000923014752 923447265 /nfs/dbraw/zinc/44/72/65/923447265.db2.gz JHSHLEXZXMSIRM-UHFFFAOYSA-N 1 2 289.291 1.945 10 5 CDBELO CC1(C)OC[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851908079 927658406 /nfs/dbraw/zinc/65/84/06/927658406.db2.gz LBPJPTNMOLGXLX-LBPRGKRZSA-N 1 2 293.323 1.499 10 5 CDBELO CC1(C)OC[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851908079 927658415 /nfs/dbraw/zinc/65/84/15/927658415.db2.gz LBPJPTNMOLGXLX-LBPRGKRZSA-N 1 2 293.323 1.499 10 5 CDBELO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC(n2cc[nH+]c2)C1 ZINC001146994584 932374804 /nfs/dbraw/zinc/37/48/04/932374804.db2.gz BRRDBNVAWPCMNZ-UHFFFAOYSA-N 1 2 290.254 1.628 10 5 CDBELO C[C@@](CO)([NH2+]Cc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001473714109 970834335 /nfs/dbraw/zinc/83/43/35/970834335.db2.gz LCAFWQMIYFWNKS-ZDUSSCGKSA-N 1 2 276.296 1.315 10 5 CDBELO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC001556885236 965117398 /nfs/dbraw/zinc/11/73/98/965117398.db2.gz YONLIQXQNXGYQB-UHFFFAOYSA-N 1 2 287.279 1.030 10 5 CDBELO CCc1[nH]c(CNC(=O)CCC(C)(C)[N+](=O)[O-])c[nH+]1 ZINC001472021007 970539517 /nfs/dbraw/zinc/53/95/17/970539517.db2.gz OAINUXONZYWHOX-UHFFFAOYSA-N 1 2 268.317 1.424 10 5 CDBELO CCc1[nH]cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])[nH+]1 ZINC001472021007 970539524 /nfs/dbraw/zinc/53/95/24/970539524.db2.gz OAINUXONZYWHOX-UHFFFAOYSA-N 1 2 268.317 1.424 10 5 CDBELO COc1cc(C[N@H+](C)Cc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000611516610 346807212 /nfs/dbraw/zinc/80/72/12/346807212.db2.gz LFCVYHPYKSCYLX-UHFFFAOYSA-N 1 2 276.296 1.959 10 5 CDBELO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000611516610 346807215 /nfs/dbraw/zinc/80/72/15/346807215.db2.gz LFCVYHPYKSCYLX-UHFFFAOYSA-N 1 2 276.296 1.959 10 5 CDBELO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)c[nH+]1 ZINC000534300250 282181877 /nfs/dbraw/zinc/18/18/77/282181877.db2.gz PZKCSRSOKHAWQW-UHFFFAOYSA-N 1 2 286.291 1.984 10 5 CDBELO Cc1noc(C[NH2+][C@H](CO)c2ccsc2)c1[N+](=O)[O-] ZINC000595445341 343063157 /nfs/dbraw/zinc/06/31/57/343063157.db2.gz LPXQGIJCDQEFKY-SECBINFHSA-N 1 2 283.309 1.776 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC1CC1 ZINC000007793255 345153260 /nfs/dbraw/zinc/15/32/60/345153260.db2.gz OHUFKDHEXQOOFV-SNVBAGLBSA-N 1 2 277.324 1.866 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC1CC1 ZINC000007793255 345153262 /nfs/dbraw/zinc/15/32/62/345153262.db2.gz OHUFKDHEXQOOFV-SNVBAGLBSA-N 1 2 277.324 1.866 10 5 CDBELO CCNC(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419892 346356723 /nfs/dbraw/zinc/35/67/23/346356723.db2.gz HNAJYZURZZFRBL-SNVBAGLBSA-N 1 2 265.313 1.724 10 5 CDBELO CCNC(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419892 346356726 /nfs/dbraw/zinc/35/67/26/346356726.db2.gz HNAJYZURZZFRBL-SNVBAGLBSA-N 1 2 265.313 1.724 10 5 CDBELO CN(C)c1ccc(Nc2c([N+](=O)[O-])ncn2C)c[nH+]1 ZINC000023619011 348543848 /nfs/dbraw/zinc/54/38/48/348543848.db2.gz LIFCNDYVTIQQPX-UHFFFAOYSA-N 1 2 262.273 1.533 10 5 CDBELO CCN1OC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000616016674 349244968 /nfs/dbraw/zinc/24/49/68/349244968.db2.gz BOFWMJUZGSMPQY-CMPLNLGQSA-N 1 2 293.323 1.716 10 5 CDBELO C[C@H]([NH2+]Cc1nccc(N)n1)c1ccccc1[N+](=O)[O-] ZINC000342287988 358982406 /nfs/dbraw/zinc/98/24/06/358982406.db2.gz XXDKNNYLIJOJQM-VIFPVBQESA-N 1 2 273.296 1.648 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)C1CCC1 ZINC000339113680 359291615 /nfs/dbraw/zinc/29/16/15/359291615.db2.gz INVZJNJEJCDIKD-UHFFFAOYSA-N 1 2 266.297 1.647 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)C1CCC1 ZINC000339113680 359291620 /nfs/dbraw/zinc/29/16/20/359291620.db2.gz INVZJNJEJCDIKD-UHFFFAOYSA-N 1 2 266.297 1.647 10 5 CDBELO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000339137040 359300100 /nfs/dbraw/zinc/30/01/00/359300100.db2.gz PVJXGSATKCNRTD-TZMCWYRMSA-N 1 2 296.323 1.584 10 5 CDBELO CCc1nn(C)c(NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000357609587 378522622 /nfs/dbraw/zinc/52/26/22/378522622.db2.gz WRLZPIHNYXSBKG-UHFFFAOYSA-N 1 2 264.289 1.236 10 5 CDBELO COC[C@@](C)(CCO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339017544 285314813 /nfs/dbraw/zinc/31/48/13/285314813.db2.gz PGRQUHMLDXKLSO-CYBMUJFWSA-N 1 2 284.312 1.178 10 5 CDBELO Cc1c(Cl)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)nn1C ZINC000421340172 392930949 /nfs/dbraw/zinc/93/09/49/392930949.db2.gz IGMRGCJISQIPQX-UHFFFAOYSA-N 1 2 298.734 1.276 10 5 CDBELO CNc1ccc(C(=O)NCCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000078741084 177379646 /nfs/dbraw/zinc/37/96/46/177379646.db2.gz VYFVQBLWSAFUBQ-UHFFFAOYSA-N 1 2 289.295 1.332 10 5 CDBELO CNc1ccc(C(=O)NCCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000078741084 177379647 /nfs/dbraw/zinc/37/96/47/177379647.db2.gz VYFVQBLWSAFUBQ-UHFFFAOYSA-N 1 2 289.295 1.332 10 5 CDBELO C[NH+](C)C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000397814190 270350932 /nfs/dbraw/zinc/35/09/32/270350932.db2.gz ZQNTXOCXSMPYNA-UHFFFAOYSA-N 1 2 279.296 1.124 10 5 CDBELO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000560331252 293020424 /nfs/dbraw/zinc/02/04/24/293020424.db2.gz HGNAYEJXRDXYQF-UHFFFAOYSA-N 1 2 275.268 1.136 10 5 CDBELO COc1ccc(NC(=O)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000568435552 294036591 /nfs/dbraw/zinc/03/65/91/294036591.db2.gz XREZBYOMYRQNQD-UHFFFAOYSA-N 1 2 276.252 1.439 10 5 CDBELO O=C(NCC[N@H+]1CC=CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000568764252 294098038 /nfs/dbraw/zinc/09/80/38/294098038.db2.gz WUUCHCATAGSWGR-UHFFFAOYSA-N 1 2 291.307 1.292 10 5 CDBELO O=C(NCC[N@@H+]1CC=CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000568764252 294098040 /nfs/dbraw/zinc/09/80/40/294098040.db2.gz WUUCHCATAGSWGR-UHFFFAOYSA-N 1 2 291.307 1.292 10 5 CDBELO C[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1F)C(=O)OC ZINC000062540895 522349405 /nfs/dbraw/zinc/34/94/05/522349405.db2.gz BCOGOHUEATWZON-JTQLQIEISA-N 1 2 286.259 1.264 10 5 CDBELO O=[N+]([O-])c1cnc(NCCn2cc[nH+]c2)c(Cl)c1 ZINC000227648266 527410726 /nfs/dbraw/zinc/41/07/26/527410726.db2.gz APLFLCOCYRXOGW-UHFFFAOYSA-N 1 2 267.676 1.952 10 5 CDBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000898482376 621753736 /nfs/dbraw/zinc/75/37/36/621753736.db2.gz BLZYHNUDLHLYSG-LBPRGKRZSA-N 1 2 295.314 1.759 10 5 CDBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cccc([N+](=O)[O-])c1 ZINC000898482376 621753741 /nfs/dbraw/zinc/75/37/41/621753741.db2.gz BLZYHNUDLHLYSG-LBPRGKRZSA-N 1 2 295.314 1.759 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)s1 ZINC001640497000 1167029846 /nfs/dbraw/zinc/02/98/46/1167029846.db2.gz FSPYXORWFBUVDW-YUMQZZPRSA-N 1 2 272.305 1.284 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)s1 ZINC001640497000 1167029850 /nfs/dbraw/zinc/02/98/50/1167029850.db2.gz FSPYXORWFBUVDW-YUMQZZPRSA-N 1 2 272.305 1.284 10 5 CDBELO O=[N+]([O-])c1c(NC[C@H](O)c2c[nH+]c[nH]2)nc2sccn21 ZINC001643176850 1167230667 /nfs/dbraw/zinc/23/06/67/1167230667.db2.gz FZOANSFPMKHUFL-ZETCQYMHSA-N 1 2 294.296 1.173 10 5 CDBELO C[C@H](CNc1nn(C)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001655618454 1171711073 /nfs/dbraw/zinc/71/10/73/1171711073.db2.gz OBVFTWVWQXWOOF-MXWKQRLJSA-N 1 2 297.359 1.238 10 5 CDBELO C[C@H](CNc1nn(C)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001655618454 1171711078 /nfs/dbraw/zinc/71/10/78/1171711078.db2.gz OBVFTWVWQXWOOF-MXWKQRLJSA-N 1 2 297.359 1.238 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001607512163 1164213958 /nfs/dbraw/zinc/21/39/58/1164213958.db2.gz NPZXMDLIOMIGHB-GFCCVEGCSA-N 1 2 263.297 1.936 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001607512163 1164213964 /nfs/dbraw/zinc/21/39/64/1164213964.db2.gz NPZXMDLIOMIGHB-GFCCVEGCSA-N 1 2 263.297 1.936 10 5 CDBELO C[C@H]([NH2+][C@H]1CCCNC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872028647 822721486 /nfs/dbraw/zinc/72/14/86/822721486.db2.gz LPSNTCLXDOBVNV-WPRPVWTQSA-N 1 2 281.287 1.663 10 5 CDBELO O=C(O[C@H]1CC[N@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000802235537 824930960 /nfs/dbraw/zinc/93/09/60/824930960.db2.gz OMNTXUHBENBDDN-JTQLQIEISA-N 1 2 282.271 1.795 10 5 CDBELO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000802235537 824930964 /nfs/dbraw/zinc/93/09/64/824930964.db2.gz OMNTXUHBENBDDN-JTQLQIEISA-N 1 2 282.271 1.795 10 5 CDBELO COCC[N@H+](CCF)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852481017 826812048 /nfs/dbraw/zinc/81/20/48/826812048.db2.gz FZLNXSAIBTZUBU-CYBMUJFWSA-N 1 2 286.303 1.546 10 5 CDBELO COCC[N@@H+](CCF)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852481017 826812049 /nfs/dbraw/zinc/81/20/49/826812049.db2.gz FZLNXSAIBTZUBU-CYBMUJFWSA-N 1 2 286.303 1.546 10 5 CDBELO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000931204464 827609964 /nfs/dbraw/zinc/60/99/64/827609964.db2.gz LMQBIXNTPMYFRD-UHFFFAOYSA-N 1 2 295.314 1.834 10 5 CDBELO CC1(C)CC(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000931204464 827609989 /nfs/dbraw/zinc/60/99/89/827609989.db2.gz LMQBIXNTPMYFRD-UHFFFAOYSA-N 1 2 295.314 1.834 10 5 CDBELO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCc1[nH]cc[nH+]1 ZINC001136818276 931396456 /nfs/dbraw/zinc/39/64/56/931396456.db2.gz RPKMFNXSCJXRIC-UHFFFAOYSA-N 1 2 292.270 1.738 10 5 CDBELO C[C@@H](CF)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001436555240 962307401 /nfs/dbraw/zinc/30/74/01/962307401.db2.gz XUYXFYJKONMZAI-VIFPVBQESA-N 1 2 292.270 1.868 10 5 CDBELO C[C@@H]1C[N@H+](CCNc2ncc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000601194386 342488558 /nfs/dbraw/zinc/48/85/58/342488558.db2.gz ZVTXJHJLMGXZEY-NXEZZACHSA-N 1 2 298.318 1.650 10 5 CDBELO C[C@@H]1C[N@@H+](CCNc2ncc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000601194386 342488559 /nfs/dbraw/zinc/48/85/59/342488559.db2.gz ZVTXJHJLMGXZEY-NXEZZACHSA-N 1 2 298.318 1.650 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972138 342612455 /nfs/dbraw/zinc/61/24/55/342612455.db2.gz IXWYRXACOWYHOZ-YGRLFVJLSA-N 1 2 278.308 1.911 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972138 342612456 /nfs/dbraw/zinc/61/24/56/342612456.db2.gz IXWYRXACOWYHOZ-YGRLFVJLSA-N 1 2 278.308 1.911 10 5 CDBELO CC[C@H](C)NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533800083 282151334 /nfs/dbraw/zinc/15/13/34/282151334.db2.gz KMGISSYXKMCVHZ-NSHDSACASA-N 1 2 291.351 1.868 10 5 CDBELO CC[C@H](C)NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533800083 282151335 /nfs/dbraw/zinc/15/13/35/282151335.db2.gz KMGISSYXKMCVHZ-NSHDSACASA-N 1 2 291.351 1.868 10 5 CDBELO C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ncnn21 ZINC000594958198 342983815 /nfs/dbraw/zinc/98/38/15/342983815.db2.gz ZHXBQLXBVGYXAM-BXKDBHETSA-N 1 2 273.296 1.982 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598945708 343925438 /nfs/dbraw/zinc/92/54/38/343925438.db2.gz BIGCWCBZSFYOJO-SNVBAGLBSA-N 1 2 299.334 1.917 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cnc(N)nc2C1 ZINC000598945708 343925441 /nfs/dbraw/zinc/92/54/41/343925441.db2.gz BIGCWCBZSFYOJO-SNVBAGLBSA-N 1 2 299.334 1.917 10 5 CDBELO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000344556003 362937107 /nfs/dbraw/zinc/93/71/07/362937107.db2.gz YVTCNGIEGZMGDR-BDAKNGLRSA-N 1 2 254.286 1.407 10 5 CDBELO CC(C)(C)[NH2+]CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000431788955 357113867 /nfs/dbraw/zinc/11/38/67/357113867.db2.gz OXDNPRKWUYVZOW-UHFFFAOYSA-N 1 2 281.312 1.418 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)ccc1Cl ZINC000370395803 358123302 /nfs/dbraw/zinc/12/33/02/358123302.db2.gz JCBYUQALCZKRDP-ZJUUUORDSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)ccc1Cl ZINC000370395803 358123305 /nfs/dbraw/zinc/12/33/05/358123305.db2.gz JCBYUQALCZKRDP-ZJUUUORDSA-N 1 2 286.715 1.176 10 5 CDBELO COc1cc[nH+]cc1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000287309290 358387035 /nfs/dbraw/zinc/38/70/35/358387035.db2.gz WEBFMPUSPDALPK-UHFFFAOYSA-N 1 2 292.251 1.089 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(SC[C@H]2C[N@H+](C)CCO2)n1 ZINC000569335620 359225621 /nfs/dbraw/zinc/22/56/21/359225621.db2.gz ZGXVXAOSQJELTC-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(SC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000569335620 359225625 /nfs/dbraw/zinc/22/56/25/359225625.db2.gz ZGXVXAOSQJELTC-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO C[C@H]1CC[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408307330 360491722 /nfs/dbraw/zinc/49/17/22/360491722.db2.gz DJRDOQASEKTDBO-GXFFZTMASA-N 1 2 277.324 1.915 10 5 CDBELO C[C@H]1CC[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408307330 360491726 /nfs/dbraw/zinc/49/17/26/360491726.db2.gz DJRDOQASEKTDBO-GXFFZTMASA-N 1 2 277.324 1.915 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000366979126 364474658 /nfs/dbraw/zinc/47/46/58/364474658.db2.gz AQPUEDXFFFYZSK-AWEZNQCLSA-N 1 2 295.314 1.964 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000366979126 364474663 /nfs/dbraw/zinc/47/46/63/364474663.db2.gz AQPUEDXFFFYZSK-AWEZNQCLSA-N 1 2 295.314 1.964 10 5 CDBELO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449420707 374807547 /nfs/dbraw/zinc/80/75/47/374807547.db2.gz KBZTZCWXTCOTGQ-GXFFZTMASA-N 1 2 280.324 1.893 10 5 CDBELO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449420707 374807553 /nfs/dbraw/zinc/80/75/53/374807553.db2.gz KBZTZCWXTCOTGQ-GXFFZTMASA-N 1 2 280.324 1.893 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000408466121 285177049 /nfs/dbraw/zinc/17/70/49/285177049.db2.gz IKOXPAUTPSDVEB-JTQLQIEISA-N 1 2 296.302 1.040 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412087264 391118855 /nfs/dbraw/zinc/11/88/55/391118855.db2.gz WUCKMFWUXZDWKL-RISCZKNCSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000412087264 391118857 /nfs/dbraw/zinc/11/88/57/391118857.db2.gz WUCKMFWUXZDWKL-RISCZKNCSA-N 1 2 296.323 1.055 10 5 CDBELO CC1(CO)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413317852 391198600 /nfs/dbraw/zinc/19/86/00/391198600.db2.gz MYKXJDHTAJJACG-UHFFFAOYSA-N 1 2 273.292 1.962 10 5 CDBELO NC(=O)c1coc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000189419836 391757048 /nfs/dbraw/zinc/75/70/48/391757048.db2.gz GCJJYTPKJAZHNT-UHFFFAOYSA-N 1 2 275.264 1.577 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459639009 392496711 /nfs/dbraw/zinc/49/67/11/392496711.db2.gz CLAAVBUUKUWOJV-CYBMUJFWSA-N 1 2 284.287 1.053 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459639009 392496712 /nfs/dbraw/zinc/49/67/12/392496712.db2.gz CLAAVBUUKUWOJV-CYBMUJFWSA-N 1 2 284.287 1.053 10 5 CDBELO CN(Cc1[nH]cc[nH+]1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595402180 392563626 /nfs/dbraw/zinc/56/36/26/392563626.db2.gz SMSIMQUPNIDPPP-UHFFFAOYSA-N 1 2 262.269 1.656 10 5 CDBELO O=C(NCC[NH+]1CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000448601135 393121444 /nfs/dbraw/zinc/12/14/44/393121444.db2.gz PNYJJTZJVNTGIZ-UHFFFAOYSA-N 1 2 279.296 1.126 10 5 CDBELO C[N@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000234279642 140229087 /nfs/dbraw/zinc/22/90/87/140229087.db2.gz YKDDNEDTEWJQBV-UHFFFAOYSA-N 1 2 279.296 1.124 10 5 CDBELO C[N@@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000234279642 140229088 /nfs/dbraw/zinc/22/90/88/140229088.db2.gz YKDDNEDTEWJQBV-UHFFFAOYSA-N 1 2 279.296 1.124 10 5 CDBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000245748705 140276962 /nfs/dbraw/zinc/27/69/62/140276962.db2.gz AOWNYJVAFDVAOV-LSDHHAIUSA-N 1 2 292.335 1.739 10 5 CDBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000245748705 140276963 /nfs/dbraw/zinc/27/69/63/140276963.db2.gz AOWNYJVAFDVAOV-LSDHHAIUSA-N 1 2 292.335 1.739 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000349964169 154289132 /nfs/dbraw/zinc/28/91/32/154289132.db2.gz DIBAYDDWGQZJHR-GFCCVEGCSA-N 1 2 291.351 1.956 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000349964169 154289134 /nfs/dbraw/zinc/28/91/34/154289134.db2.gz DIBAYDDWGQZJHR-GFCCVEGCSA-N 1 2 291.351 1.956 10 5 CDBELO C[NH2+][C@@H](CCOc1c(C)cc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000062595602 522345343 /nfs/dbraw/zinc/34/53/43/522345343.db2.gz TYBLISZHOROYLD-NSHDSACASA-N 1 2 296.323 1.742 10 5 CDBELO C[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000062595683 522464690 /nfs/dbraw/zinc/46/46/90/522464690.db2.gz PWKOCGHHWXATCC-SNVBAGLBSA-N 1 2 298.295 1.133 10 5 CDBELO CC[C@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050814163 523335931 /nfs/dbraw/zinc/33/59/31/523335931.db2.gz BHXGOCGMHCOLTM-NSHDSACASA-N 1 2 265.313 1.788 10 5 CDBELO CC[C@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050814163 523335939 /nfs/dbraw/zinc/33/59/39/523335939.db2.gz BHXGOCGMHCOLTM-NSHDSACASA-N 1 2 265.313 1.788 10 5 CDBELO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCn2cc[nH+]c2C1 ZINC000062253412 526628281 /nfs/dbraw/zinc/62/82/81/526628281.db2.gz PJUXGPIQFCXTOE-UHFFFAOYSA-N 1 2 290.254 1.586 10 5 CDBELO CC[C@@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000427720862 535802599 /nfs/dbraw/zinc/80/25/99/535802599.db2.gz OWQFDQVVJMISRG-MRVPVSSYSA-N 1 2 292.299 1.415 10 5 CDBELO Cc1ncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC001620495050 1165654872 /nfs/dbraw/zinc/65/48/72/1165654872.db2.gz DLLJLRPKBCHWAH-CQSZACIVSA-N 1 2 291.307 1.889 10 5 CDBELO Cc1[nH+]c[nH]c1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001630480361 1166208855 /nfs/dbraw/zinc/20/88/55/1166208855.db2.gz VLPNAPGQFLFTGB-UHFFFAOYSA-N 1 2 254.290 1.170 10 5 CDBELO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc([N+](=O)[O-])c1 ZINC000857983865 830691163 /nfs/dbraw/zinc/69/11/63/830691163.db2.gz DQKNBFIFJAGXKD-GFCCVEGCSA-N 1 2 286.291 1.975 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990502 835426335 /nfs/dbraw/zinc/42/63/35/835426335.db2.gz XJBQKYKIXWDGQC-LLVKDONJSA-N 1 2 287.279 1.370 10 5 CDBELO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)n1cc[nH+]c1 ZINC001470567002 970345254 /nfs/dbraw/zinc/34/52/54/970345254.db2.gz JIYVIOOQPJTNPH-UHFFFAOYSA-N 1 2 277.284 1.285 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CC2)CC1 ZINC000124684817 187148979 /nfs/dbraw/zinc/14/89/79/187148979.db2.gz AFXYGUDANYEIMD-UHFFFAOYSA-N 1 2 293.298 1.654 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546394 343083679 /nfs/dbraw/zinc/08/36/79/343083679.db2.gz HQEBJENERAICQH-MRVPVSSYSA-N 1 2 278.268 1.876 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546394 343083681 /nfs/dbraw/zinc/08/36/81/343083681.db2.gz HQEBJENERAICQH-MRVPVSSYSA-N 1 2 278.268 1.876 10 5 CDBELO O=[N+]([O-])c1cccc2c1CCN(CC[NH+]1CCOCC1)C2 ZINC000535245427 282246820 /nfs/dbraw/zinc/24/68/20/282246820.db2.gz DNNJQQKSFSRAOC-UHFFFAOYSA-N 1 2 291.351 1.285 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCS(C)(=O)=O ZINC000050508132 345020440 /nfs/dbraw/zinc/02/04/40/345020440.db2.gz HXJHUKQXDCLMKS-JTQLQIEISA-N 1 2 286.353 1.632 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCS(C)(=O)=O ZINC000050508132 345020444 /nfs/dbraw/zinc/02/04/44/345020444.db2.gz HXJHUKQXDCLMKS-JTQLQIEISA-N 1 2 286.353 1.632 10 5 CDBELO NNc1cc[nH+]c(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 ZINC000086135592 179236522 /nfs/dbraw/zinc/23/65/22/179236522.db2.gz PFSMATOOWOZUAG-UHFFFAOYSA-N 1 2 268.664 1.174 10 5 CDBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000286146389 356230526 /nfs/dbraw/zinc/23/05/26/356230526.db2.gz NJABLAVMNHAPCZ-GFCCVEGCSA-N 1 2 276.300 1.352 10 5 CDBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000286146389 356230528 /nfs/dbraw/zinc/23/05/28/356230528.db2.gz NJABLAVMNHAPCZ-GFCCVEGCSA-N 1 2 276.300 1.352 10 5 CDBELO Cc1sc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000048963324 357201442 /nfs/dbraw/zinc/20/14/42/357201442.db2.gz XHNCJLFGQZAUAP-MRVPVSSYSA-N 1 2 294.336 1.980 10 5 CDBELO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000299383667 357237312 /nfs/dbraw/zinc/23/73/12/357237312.db2.gz VVVWHDJOHDYAFJ-UHFFFAOYSA-N 1 2 275.308 1.515 10 5 CDBELO CN1CC[NH+]=C(c2ncccn2)c2cc([N+](=O)[O-])ccc21 ZINC000169343268 360329788 /nfs/dbraw/zinc/32/97/88/360329788.db2.gz CLUHZXYQKUXOOL-UHFFFAOYSA-N 1 2 283.291 1.672 10 5 CDBELO Cc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)ncc1[N+](=O)[O-] ZINC000301442884 201009780 /nfs/dbraw/zinc/00/97/80/201009780.db2.gz POXJKYIEZRSHMQ-LBPRGKRZSA-N 1 2 292.339 1.573 10 5 CDBELO Cc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)ncc1[N+](=O)[O-] ZINC000301442884 201009783 /nfs/dbraw/zinc/00/97/83/201009783.db2.gz POXJKYIEZRSHMQ-LBPRGKRZSA-N 1 2 292.339 1.573 10 5 CDBELO CC[N@H+](CC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000271159721 366977459 /nfs/dbraw/zinc/97/74/59/366977459.db2.gz PLWPMSZWXODYBS-UHFFFAOYSA-N 1 2 266.297 1.898 10 5 CDBELO CC[N@@H+](CC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000271159721 366977468 /nfs/dbraw/zinc/97/74/68/366977468.db2.gz PLWPMSZWXODYBS-UHFFFAOYSA-N 1 2 266.297 1.898 10 5 CDBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000330890439 203358343 /nfs/dbraw/zinc/35/83/43/203358343.db2.gz HIYPWWQYEGJVDG-NSHDSACASA-N 1 2 272.326 1.240 10 5 CDBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000330890439 203358347 /nfs/dbraw/zinc/35/83/47/203358347.db2.gz HIYPWWQYEGJVDG-NSHDSACASA-N 1 2 272.326 1.240 10 5 CDBELO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000331425237 203831474 /nfs/dbraw/zinc/83/14/74/203831474.db2.gz SGVIUFAWGHNAAX-QMMMGPOBSA-N 1 2 290.283 1.029 10 5 CDBELO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000275205385 374691293 /nfs/dbraw/zinc/69/12/93/374691293.db2.gz GYBWWHXJCRAJQY-NSHDSACASA-N 1 2 278.308 1.885 10 5 CDBELO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000275205385 374691299 /nfs/dbraw/zinc/69/12/99/374691299.db2.gz GYBWWHXJCRAJQY-NSHDSACASA-N 1 2 278.308 1.885 10 5 CDBELO C[C@H]1COCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332245028 375020281 /nfs/dbraw/zinc/02/02/81/375020281.db2.gz WSEFUKSBDIIABG-SNVBAGLBSA-N 1 2 266.297 1.769 10 5 CDBELO C[C@H]1COCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332245028 375020289 /nfs/dbraw/zinc/02/02/89/375020289.db2.gz WSEFUKSBDIIABG-SNVBAGLBSA-N 1 2 266.297 1.769 10 5 CDBELO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280752356 375020537 /nfs/dbraw/zinc/02/05/37/375020537.db2.gz KSZBODHGVHHPSZ-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(C3CC3)CC2)cc1 ZINC000125800899 375058450 /nfs/dbraw/zinc/05/84/50/375058450.db2.gz VZBUFOPWYDOGDE-UHFFFAOYSA-N 1 2 291.351 1.754 10 5 CDBELO CCCC[N@H+](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352844575 375545129 /nfs/dbraw/zinc/54/51/29/375545129.db2.gz VAHDIQDCOMRHPT-UHFFFAOYSA-N 1 2 295.339 1.762 10 5 CDBELO CCCC[N@@H+](C)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352844575 375545136 /nfs/dbraw/zinc/54/51/36/375545136.db2.gz VAHDIQDCOMRHPT-UHFFFAOYSA-N 1 2 295.339 1.762 10 5 CDBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000357279412 375893924 /nfs/dbraw/zinc/89/39/24/375893924.db2.gz RERLARUHSYACMA-UHFFFAOYSA-N 1 2 291.311 1.705 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@]34CCOC4)nc2c1 ZINC000421019889 392925977 /nfs/dbraw/zinc/92/59/77/392925977.db2.gz MXXNQKJEXWWDGC-AWEZNQCLSA-N 1 2 288.307 1.836 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@]34CCOC4)nc2c1 ZINC000421019889 392925979 /nfs/dbraw/zinc/92/59/79/392925979.db2.gz MXXNQKJEXWWDGC-AWEZNQCLSA-N 1 2 288.307 1.836 10 5 CDBELO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000282015242 393168183 /nfs/dbraw/zinc/16/81/83/393168183.db2.gz DTEMPGRTVOVDFB-LLVKDONJSA-N 1 2 293.323 1.136 10 5 CDBELO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000282015242 393168189 /nfs/dbraw/zinc/16/81/89/393168189.db2.gz DTEMPGRTVOVDFB-LLVKDONJSA-N 1 2 293.323 1.136 10 5 CDBELO O=[N+]([O-])c1cnccc1NCCNc1cccc[nH+]1 ZINC000357051429 163818614 /nfs/dbraw/zinc/81/86/14/163818614.db2.gz PHJICSYBGXGSGD-UHFFFAOYSA-N 1 2 259.269 1.331 10 5 CDBELO CCOC(=O)[C@@H]([NH3+])CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000039126510 174163605 /nfs/dbraw/zinc/16/36/05/174163605.db2.gz NZXKKOYWRRLYSQ-JTQLQIEISA-N 1 2 266.253 1.058 10 5 CDBELO CC[C@H](C(N)=O)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153027993 289154261 /nfs/dbraw/zinc/15/42/61/289154261.db2.gz CXNWMEUGKQQSOF-LLVKDONJSA-N 1 2 263.297 1.217 10 5 CDBELO CC[C@H](C(N)=O)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153027993 289154262 /nfs/dbraw/zinc/15/42/62/289154262.db2.gz CXNWMEUGKQQSOF-LLVKDONJSA-N 1 2 263.297 1.217 10 5 CDBELO CC(C)[NH2+]CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000563094745 293271866 /nfs/dbraw/zinc/27/18/66/293271866.db2.gz XBSHGSWYYOXWPM-UHFFFAOYSA-N 1 2 267.285 1.627 10 5 CDBELO Cc1nc(SC[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000568981360 294133738 /nfs/dbraw/zinc/13/37/38/294133738.db2.gz UDVYLWASDQMKOF-VIFPVBQESA-N 1 2 284.341 1.116 10 5 CDBELO Cc1nc(SC[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000568981360 294133740 /nfs/dbraw/zinc/13/37/40/294133740.db2.gz UDVYLWASDQMKOF-VIFPVBQESA-N 1 2 284.341 1.116 10 5 CDBELO CCOC(=O)[C@@H](CCOc1cc(C)ccc1[N+](=O)[O-])[NH2+]C ZINC000062539854 521060706 /nfs/dbraw/zinc/06/07/06/521060706.db2.gz DRJQUIZNMDFWLX-LLVKDONJSA-N 1 2 296.323 1.823 10 5 CDBELO CCOC(=O)[C@H]([NH3+])COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442044 521260730 /nfs/dbraw/zinc/26/07/30/521260730.db2.gz ALTBDOMOZUUZQF-SNVBAGLBSA-N 1 2 282.296 1.481 10 5 CDBELO CCNC(=O)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817817 521736685 /nfs/dbraw/zinc/73/66/85/521736685.db2.gz ZWOWNJMWFKKSSE-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCNC(=O)C[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817817 521736686 /nfs/dbraw/zinc/73/66/86/521736686.db2.gz ZWOWNJMWFKKSSE-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CNc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050812502 522610585 /nfs/dbraw/zinc/61/05/85/522610585.db2.gz ZPEHZMCCILSZBG-LLVKDONJSA-N 1 2 278.312 1.086 10 5 CDBELO CNc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050812502 522610596 /nfs/dbraw/zinc/61/05/96/522610596.db2.gz ZPEHZMCCILSZBG-LLVKDONJSA-N 1 2 278.312 1.086 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1C ZINC000050813624 522647166 /nfs/dbraw/zinc/64/71/66/522647166.db2.gz VTZMRWCKZFRRFR-JTQLQIEISA-N 1 2 265.313 1.857 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1C ZINC000050813624 522647173 /nfs/dbraw/zinc/64/71/73/522647173.db2.gz VTZMRWCKZFRRFR-JTQLQIEISA-N 1 2 265.313 1.857 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001651450481 1171325024 /nfs/dbraw/zinc/32/50/24/1171325024.db2.gz DHVQBLVJMSHFGC-UHFFFAOYSA-N 1 2 276.300 1.542 10 5 CDBELO CCc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2F)c[nH+]1 ZINC001635610950 1166603277 /nfs/dbraw/zinc/60/32/77/1166603277.db2.gz YCFDGOWAQIKNQM-UHFFFAOYSA-N 1 2 292.270 1.949 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)[nH+]1 ZINC001635610950 1166603279 /nfs/dbraw/zinc/60/32/79/1166603279.db2.gz YCFDGOWAQIKNQM-UHFFFAOYSA-N 1 2 292.270 1.949 10 5 CDBELO COC(=O)c1ccnc(NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000856759349 839842239 /nfs/dbraw/zinc/84/22/39/839842239.db2.gz HLRHOBOIMVJMBA-UHFFFAOYSA-N 1 2 291.267 1.122 10 5 CDBELO CCn1ncc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000858205333 841333810 /nfs/dbraw/zinc/33/38/10/841333810.db2.gz WLVUKUONNGAATN-UHFFFAOYSA-N 1 2 275.312 1.804 10 5 CDBELO Cc1nn(C[N@@H+]2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000797416023 842334629 /nfs/dbraw/zinc/33/46/29/842334629.db2.gz FLHNVRARKQOYPN-VIFPVBQESA-N 1 2 250.302 1.955 10 5 CDBELO Cc1nn(C[N@H+]2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000797416023 842334645 /nfs/dbraw/zinc/33/46/45/842334645.db2.gz FLHNVRARKQOYPN-VIFPVBQESA-N 1 2 250.302 1.955 10 5 CDBELO O=C1OC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]12 ZINC001175110655 913451230 /nfs/dbraw/zinc/45/12/30/913451230.db2.gz DJSVTEXRCPTCQM-IUCAKERBSA-N 1 2 268.294 1.261 10 5 CDBELO O=C1OC[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]12 ZINC001175110655 913451236 /nfs/dbraw/zinc/45/12/36/913451236.db2.gz DJSVTEXRCPTCQM-IUCAKERBSA-N 1 2 268.294 1.261 10 5 CDBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC001298232218 955148000 /nfs/dbraw/zinc/14/80/00/955148000.db2.gz ORKQABFSYJBGEA-SNVBAGLBSA-N 1 2 272.264 1.146 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC001334603400 959233624 /nfs/dbraw/zinc/23/36/24/959233624.db2.gz MRSNVVUTKDSHRK-SNPRPXQTSA-N 1 2 290.319 1.714 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC001334603400 959233641 /nfs/dbraw/zinc/23/36/41/959233641.db2.gz MRSNVVUTKDSHRK-SNPRPXQTSA-N 1 2 290.319 1.714 10 5 CDBELO O=[N+]([O-])c1cccc(-c2nnc(Cn3cc[nH+]c3)o2)c1 ZINC001343618574 964063098 /nfs/dbraw/zinc/06/30/98/964063098.db2.gz RDIAXAIFRSYIHL-UHFFFAOYSA-N 1 2 271.236 1.890 10 5 CDBELO Cn1ccnc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150464 342482488 /nfs/dbraw/zinc/48/24/88/342482488.db2.gz XUBPRTLFJADKQW-AWEZNQCLSA-N 1 2 290.323 1.326 10 5 CDBELO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595482022 343065102 /nfs/dbraw/zinc/06/51/02/343065102.db2.gz RFVCQWKNHJMKSL-SNVBAGLBSA-N 1 2 285.300 1.129 10 5 CDBELO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595482022 343065104 /nfs/dbraw/zinc/06/51/04/343065104.db2.gz RFVCQWKNHJMKSL-SNVBAGLBSA-N 1 2 285.300 1.129 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595536497 343092280 /nfs/dbraw/zinc/09/22/80/343092280.db2.gz YTLUPEHBADGMNI-UHFFFAOYSA-N 1 2 281.287 1.444 10 5 CDBELO Cc1cccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000598944633 343925395 /nfs/dbraw/zinc/92/53/95/343925395.db2.gz SAVVVNAHVMKMCT-SNVBAGLBSA-N 1 2 286.291 1.454 10 5 CDBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407316529 349899590 /nfs/dbraw/zinc/89/95/90/349899590.db2.gz IBODNTKCZVDCHB-WDEREUQCSA-N 1 2 291.307 1.770 10 5 CDBELO CCn1c(C)nc([N+](=O)[O-])c1NCc1c[nH+]cn1C ZINC000291255537 344788420 /nfs/dbraw/zinc/78/84/20/344788420.db2.gz YTANQTDJRQWOTC-UHFFFAOYSA-N 1 2 264.289 1.465 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000280107167 304003241 /nfs/dbraw/zinc/00/32/41/304003241.db2.gz DZXNHSJKVGTJRT-NSHDSACASA-N 1 2 291.307 1.866 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000280107167 304003243 /nfs/dbraw/zinc/00/32/43/304003243.db2.gz DZXNHSJKVGTJRT-NSHDSACASA-N 1 2 291.307 1.866 10 5 CDBELO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000336835006 356289525 /nfs/dbraw/zinc/28/95/25/356289525.db2.gz SXXDLJXQWCJERT-SECBINFHSA-N 1 2 281.312 1.228 10 5 CDBELO COC(=O)CC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000566308604 357456552 /nfs/dbraw/zinc/45/65/52/357456552.db2.gz JGCDBTLTHMVOEC-UHFFFAOYSA-N 1 2 280.280 1.486 10 5 CDBELO Cc1ccc([C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000567413149 358673160 /nfs/dbraw/zinc/67/31/60/358673160.db2.gz RHRYFQWDDVWCRG-LLVKDONJSA-N 1 2 288.307 1.977 10 5 CDBELO Cc1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)no1 ZINC000174818735 364573686 /nfs/dbraw/zinc/57/36/86/364573686.db2.gz RSALDVYEFOWVGF-UHFFFAOYSA-N 1 2 265.273 1.220 10 5 CDBELO Cc1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)no1 ZINC000174818735 364573692 /nfs/dbraw/zinc/57/36/92/364573692.db2.gz RSALDVYEFOWVGF-UHFFFAOYSA-N 1 2 265.273 1.220 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@@H]2CO)cs1 ZINC000330848479 203310076 /nfs/dbraw/zinc/31/00/76/203310076.db2.gz PAJPYWNOULESKO-VIFPVBQESA-N 1 2 274.367 1.566 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@@H]2CO)cs1 ZINC000330848479 203310078 /nfs/dbraw/zinc/31/00/78/203310078.db2.gz PAJPYWNOULESKO-VIFPVBQESA-N 1 2 274.367 1.566 10 5 CDBELO O=[N+]([O-])c1ccc(C2=[N+](O)[C@@H]3CCCC[C@H]3[N+]([O-])=C2)cc1 ZINC000225405149 374300343 /nfs/dbraw/zinc/30/03/43/374300343.db2.gz IHKVUPKKDOPRNE-CHWSQXEVSA-N 1 2 291.307 1.583 10 5 CDBELO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449412717 374807637 /nfs/dbraw/zinc/80/76/37/374807637.db2.gz GIVRNFMAWSQYMM-ZDUSSCGKSA-N 1 2 294.351 1.911 10 5 CDBELO CC(C)c1ccc(C[N@H+]2CCOC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449412717 374807641 /nfs/dbraw/zinc/80/76/41/374807641.db2.gz GIVRNFMAWSQYMM-ZDUSSCGKSA-N 1 2 294.351 1.911 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000332280788 375022880 /nfs/dbraw/zinc/02/28/80/375022880.db2.gz WJTFKWKWGCDLJE-RNCFNFMXSA-N 1 2 290.323 1.674 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000332280788 375022888 /nfs/dbraw/zinc/02/28/88/375022888.db2.gz WJTFKWKWGCDLJE-RNCFNFMXSA-N 1 2 290.323 1.674 10 5 CDBELO COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000351970800 375052515 /nfs/dbraw/zinc/05/25/15/375052515.db2.gz JJVVEPBGLCATFZ-UHFFFAOYSA-N 1 2 290.323 1.969 10 5 CDBELO COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000351970800 375052520 /nfs/dbraw/zinc/05/25/20/375052520.db2.gz JJVVEPBGLCATFZ-UHFFFAOYSA-N 1 2 290.323 1.969 10 5 CDBELO C[C@@H](O)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000412074003 391111799 /nfs/dbraw/zinc/11/17/99/391111799.db2.gz MGPVRGFPRWWIKH-BXUZGUMPSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@@H](O)[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000412074003 391111802 /nfs/dbraw/zinc/11/18/02/391111802.db2.gz MGPVRGFPRWWIKH-BXUZGUMPSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000343024177 391531743 /nfs/dbraw/zinc/53/17/43/391531743.db2.gz CYEGBLFWSHTOAV-JTQLQIEISA-N 1 2 283.303 1.237 10 5 CDBELO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000343024177 391531749 /nfs/dbraw/zinc/53/17/49/391531749.db2.gz CYEGBLFWSHTOAV-JTQLQIEISA-N 1 2 283.303 1.237 10 5 CDBELO Cn1c[nH+]cc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000357598012 157775157 /nfs/dbraw/zinc/77/51/57/157775157.db2.gz QTUMFPOJRJMJSA-UHFFFAOYSA-N 1 2 267.676 1.989 10 5 CDBELO C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037332284 173133697 /nfs/dbraw/zinc/13/36/97/173133697.db2.gz DYBDAOBQTLYBHH-SECBINFHSA-N 1 2 251.286 1.980 10 5 CDBELO C[C@@H]1CCCC[N@H+]1CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037332284 173133700 /nfs/dbraw/zinc/13/37/00/173133700.db2.gz DYBDAOBQTLYBHH-SECBINFHSA-N 1 2 251.286 1.980 10 5 CDBELO O=[N+]([O-])c1c(-n2cc[nH+]c2)ncnc1N1CCCCCC1 ZINC000040610166 174353815 /nfs/dbraw/zinc/35/38/15/174353815.db2.gz GFPFJMPDNVNYPT-UHFFFAOYSA-N 1 2 288.311 1.951 10 5 CDBELO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000234239458 289191974 /nfs/dbraw/zinc/19/19/74/289191974.db2.gz HZDWJXLNVZAFEK-NSHDSACASA-N 1 2 293.323 1.467 10 5 CDBELO CC(C)(C[NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000581190165 324674772 /nfs/dbraw/zinc/67/47/72/324674772.db2.gz RZCVITBBVWEPGD-UHFFFAOYSA-N 1 2 253.258 1.224 10 5 CDBELO CNc1[nH+]cnc2c1cnn2-c1cccc([N+](=O)[O-])c1 ZINC000062366915 522717152 /nfs/dbraw/zinc/71/71/52/522717152.db2.gz XZEXGTMQMNWKJA-UHFFFAOYSA-N 1 2 270.252 1.765 10 5 CDBELO CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000898893419 621938391 /nfs/dbraw/zinc/93/83/91/621938391.db2.gz JNXVDVRSWJCDTG-UHFFFAOYSA-N 1 2 288.307 1.956 10 5 CDBELO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912912968 630280963 /nfs/dbraw/zinc/28/09/63/630280963.db2.gz FWKANXWAVJDCSF-LLVKDONJSA-N 1 2 291.307 1.221 10 5 CDBELO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001629193653 1166121191 /nfs/dbraw/zinc/12/11/91/1166121191.db2.gz MNQMTZIURHQMDC-MRVPVSSYSA-N 1 2 289.295 1.717 10 5 CDBELO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001629193653 1166121192 /nfs/dbraw/zinc/12/11/92/1166121192.db2.gz MNQMTZIURHQMDC-MRVPVSSYSA-N 1 2 289.295 1.717 10 5 CDBELO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001629284428 1166127092 /nfs/dbraw/zinc/12/70/92/1166127092.db2.gz KNBSYWMLVAXGEJ-VXGBXAGGSA-N 1 2 286.291 1.738 10 5 CDBELO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001629284428 1166127096 /nfs/dbraw/zinc/12/70/96/1166127096.db2.gz KNBSYWMLVAXGEJ-VXGBXAGGSA-N 1 2 286.291 1.738 10 5 CDBELO Cc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])s2)[nH+]c1C ZINC001630877892 1166238963 /nfs/dbraw/zinc/23/89/63/1166238963.db2.gz MARULUNWSASRBO-UHFFFAOYSA-N 1 2 280.309 1.926 10 5 CDBELO CC[N@H+](CCc1nccs1)Cn1nccc1[N+](=O)[O-] ZINC000134023177 844822896 /nfs/dbraw/zinc/82/28/96/844822896.db2.gz UXLGSVHLOHQBJO-UHFFFAOYSA-N 1 2 281.341 1.770 10 5 CDBELO CC[N@@H+](CCc1nccs1)Cn1nccc1[N+](=O)[O-] ZINC000134023177 844822900 /nfs/dbraw/zinc/82/29/00/844822900.db2.gz UXLGSVHLOHQBJO-UHFFFAOYSA-N 1 2 281.341 1.770 10 5 CDBELO COC(=O)c1cnc([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)s1 ZINC000931083470 845760498 /nfs/dbraw/zinc/76/04/98/845760498.db2.gz YADKSXXRFGYRDI-VIFPVBQESA-N 1 2 299.352 1.386 10 5 CDBELO COC(=O)c1cnc([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)s1 ZINC000931083470 845760502 /nfs/dbraw/zinc/76/05/02/845760502.db2.gz YADKSXXRFGYRDI-VIFPVBQESA-N 1 2 299.352 1.386 10 5 CDBELO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)ccc1[N+](=O)[O-] ZINC000857991211 846012428 /nfs/dbraw/zinc/01/24/28/846012428.db2.gz VUDINBXDUDMYBP-LLVKDONJSA-N 1 2 286.291 1.975 10 5 CDBELO COc1cc(F)c([N+](=O)[O-])c(N2CCn3c[nH+]cc3C2)c1 ZINC000811857430 846101771 /nfs/dbraw/zinc/10/17/71/846101771.db2.gz FSKCXMSOAGYSNZ-UHFFFAOYSA-N 1 2 292.270 1.959 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000840082995 847606528 /nfs/dbraw/zinc/60/65/28/847606528.db2.gz JPQYIQWSPNQWAS-GFCCVEGCSA-N 1 2 290.323 1.931 10 5 CDBELO COC[C@H]1CC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000840082995 847606534 /nfs/dbraw/zinc/60/65/34/847606534.db2.gz JPQYIQWSPNQWAS-GFCCVEGCSA-N 1 2 290.323 1.931 10 5 CDBELO Cc1nn(Cc2[nH+]ccn2CC(F)F)cc1[N+](=O)[O-] ZINC000871670967 847778536 /nfs/dbraw/zinc/77/85/36/847778536.db2.gz GYMLYXSJAUEPFC-UHFFFAOYSA-N 1 2 271.227 1.610 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001557173903 965151576 /nfs/dbraw/zinc/15/15/76/965151576.db2.gz WRRXMFTWFACNGD-GFCCVEGCSA-N 1 2 278.312 1.669 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001557173903 965151578 /nfs/dbraw/zinc/15/15/78/965151578.db2.gz WRRXMFTWFACNGD-GFCCVEGCSA-N 1 2 278.312 1.669 10 5 CDBELO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001527863385 968741362 /nfs/dbraw/zinc/74/13/62/968741362.db2.gz YICPEOKUEWNHHF-NSHDSACASA-N 1 2 294.355 1.572 10 5 CDBELO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600271915 341992419 /nfs/dbraw/zinc/99/24/19/341992419.db2.gz KHWSWOIRZIBZSA-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600271915 341992420 /nfs/dbraw/zinc/99/24/20/341992420.db2.gz KHWSWOIRZIBZSA-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCO[C@H]1CC1(F)F)CC2 ZINC000595422141 343055477 /nfs/dbraw/zinc/05/54/77/343055477.db2.gz GNKLUSKYUUVGIO-LBPRGKRZSA-N 1 2 299.277 1.772 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCO[C@H]1CC1(F)F)CC2 ZINC000595422141 343055479 /nfs/dbraw/zinc/05/54/79/343055479.db2.gz GNKLUSKYUUVGIO-LBPRGKRZSA-N 1 2 299.277 1.772 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000595477950 343064737 /nfs/dbraw/zinc/06/47/37/343064737.db2.gz WOWXAPZQOGNZAS-ZETCQYMHSA-N 1 2 277.227 1.705 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000595477950 343064738 /nfs/dbraw/zinc/06/47/38/343064738.db2.gz WOWXAPZQOGNZAS-ZETCQYMHSA-N 1 2 277.227 1.705 10 5 CDBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595741367 343136120 /nfs/dbraw/zinc/13/61/20/343136120.db2.gz NBMFQDGWTCXNMO-JTQLQIEISA-N 1 2 272.326 1.504 10 5 CDBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595741367 343136122 /nfs/dbraw/zinc/13/61/22/343136122.db2.gz NBMFQDGWTCXNMO-JTQLQIEISA-N 1 2 272.326 1.504 10 5 CDBELO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(F)c1 ZINC000595758578 343143100 /nfs/dbraw/zinc/14/31/00/343143100.db2.gz SEWUXDNMZOYMGG-ISVAXAHUSA-N 1 2 284.262 1.830 10 5 CDBELO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c(F)c1 ZINC000595758578 343143102 /nfs/dbraw/zinc/14/31/02/343143102.db2.gz SEWUXDNMZOYMGG-ISVAXAHUSA-N 1 2 284.262 1.830 10 5 CDBELO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598343048 343771864 /nfs/dbraw/zinc/77/18/64/343771864.db2.gz RYRYZAJZKRGMMG-SNVBAGLBSA-N 1 2 293.323 1.515 10 5 CDBELO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598343048 343771867 /nfs/dbraw/zinc/77/18/67/343771867.db2.gz RYRYZAJZKRGMMG-SNVBAGLBSA-N 1 2 293.323 1.515 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599160074 343970699 /nfs/dbraw/zinc/97/06/99/343970699.db2.gz DHUOVQNXSNDQLJ-JTQLQIEISA-N 1 2 292.339 1.305 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599160074 343970701 /nfs/dbraw/zinc/97/07/01/343970701.db2.gz DHUOVQNXSNDQLJ-JTQLQIEISA-N 1 2 292.339 1.305 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N(C)C ZINC000061785168 348911504 /nfs/dbraw/zinc/91/15/04/348911504.db2.gz HTPZDUYBIGTYML-SNVBAGLBSA-N 1 2 265.313 1.676 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N(C)C ZINC000061785168 348911505 /nfs/dbraw/zinc/91/15/05/348911505.db2.gz HTPZDUYBIGTYML-SNVBAGLBSA-N 1 2 265.313 1.676 10 5 CDBELO CNC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000273481892 192169022 /nfs/dbraw/zinc/16/90/22/192169022.db2.gz UUAVLRNQPLNYAU-UHFFFAOYSA-N 1 2 292.339 1.360 10 5 CDBELO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000180986026 357300676 /nfs/dbraw/zinc/30/06/76/357300676.db2.gz GXAKPUMMTIMBIY-UHFFFAOYSA-N 1 2 290.323 1.097 10 5 CDBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338373530 359124227 /nfs/dbraw/zinc/12/42/27/359124227.db2.gz UTVGWMKTSOJCFZ-OKILXGFUSA-N 1 2 294.307 1.073 10 5 CDBELO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338373530 359124232 /nfs/dbraw/zinc/12/42/32/359124232.db2.gz UTVGWMKTSOJCFZ-OKILXGFUSA-N 1 2 294.307 1.073 10 5 CDBELO COc1cc(NC[C@H]2CN3CC[NH+]2CC3)ccc1[N+](=O)[O-] ZINC000301772811 201188633 /nfs/dbraw/zinc/18/86/33/201188633.db2.gz KEKCLXVHBTTYSA-LBPRGKRZSA-N 1 2 292.339 1.015 10 5 CDBELO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000286146452 239139104 /nfs/dbraw/zinc/13/91/04/239139104.db2.gz XBZDAPZYLKCDQV-UHFFFAOYSA-N 1 2 290.283 1.061 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449467760 374812529 /nfs/dbraw/zinc/81/25/29/374812529.db2.gz JSGJYSSEIDLBOA-LBPRGKRZSA-N 1 2 288.250 1.502 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449467760 374812533 /nfs/dbraw/zinc/81/25/33/374812533.db2.gz JSGJYSSEIDLBOA-LBPRGKRZSA-N 1 2 288.250 1.502 10 5 CDBELO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000279779544 374959221 /nfs/dbraw/zinc/95/92/21/374959221.db2.gz UGIRAHBEZIMKCL-NSHDSACASA-N 1 2 299.396 1.809 10 5 CDBELO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000279779544 374959231 /nfs/dbraw/zinc/95/92/31/374959231.db2.gz UGIRAHBEZIMKCL-NSHDSACASA-N 1 2 299.396 1.809 10 5 CDBELO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000279779544 374959241 /nfs/dbraw/zinc/95/92/41/374959241.db2.gz UGIRAHBEZIMKCL-NSHDSACASA-N 1 2 299.396 1.809 10 5 CDBELO CCc1c[nH+]ccc1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427600718 247164515 /nfs/dbraw/zinc/16/45/15/247164515.db2.gz VIAFLXUTCLVPBC-UHFFFAOYSA-N 1 2 289.295 1.443 10 5 CDBELO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000192775684 130545349 /nfs/dbraw/zinc/54/53/49/130545349.db2.gz CPSGASRRJAZIMX-JTQLQIEISA-N 1 2 280.328 1.310 10 5 CDBELO CN1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191077686 140133551 /nfs/dbraw/zinc/13/35/51/140133551.db2.gz NMHNATNCGPUYDX-UHFFFAOYSA-N 1 2 263.297 1.259 10 5 CDBELO CN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191077686 140133552 /nfs/dbraw/zinc/13/35/52/140133552.db2.gz NMHNATNCGPUYDX-UHFFFAOYSA-N 1 2 263.297 1.259 10 5 CDBELO COC(=O)[C@H]([NH3+])Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000044330694 175163920 /nfs/dbraw/zinc/16/39/20/175163920.db2.gz BYKHCLNVFXNCNL-MRVPVSSYSA-N 1 2 258.661 1.291 10 5 CDBELO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1c[nH+]c[nH]1 ZINC000078723349 177375742 /nfs/dbraw/zinc/37/57/42/177375742.db2.gz ADUQOUSFUBBYCF-UHFFFAOYSA-N 1 2 274.280 1.219 10 5 CDBELO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1c[nH]c[nH+]1 ZINC000078723349 177375743 /nfs/dbraw/zinc/37/57/43/177375743.db2.gz ADUQOUSFUBBYCF-UHFFFAOYSA-N 1 2 274.280 1.219 10 5 CDBELO O=C(Cn1cc[nH+]c1)NCc1ccccc1[N+](=O)[O-] ZINC000048561817 279158488 /nfs/dbraw/zinc/15/84/88/279158488.db2.gz MKGYTBSUFOBKOM-UHFFFAOYSA-N 1 2 260.253 1.108 10 5 CDBELO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280752352 289372828 /nfs/dbraw/zinc/37/28/28/289372828.db2.gz KSZBODHGVHHPSZ-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000560698649 290515717 /nfs/dbraw/zinc/51/57/17/290515717.db2.gz QCLQQQGRHYAEQQ-SSDOTTSWSA-N 1 2 261.241 1.204 10 5 CDBELO COc1cccc([N+](=O)[O-])c1NCCc1cn(C)c[nH+]1 ZINC000576717361 317195085 /nfs/dbraw/zinc/19/50/85/317195085.db2.gz IJOPZPJZFYGCPR-UHFFFAOYSA-N 1 2 276.296 1.992 10 5 CDBELO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000577050192 317255002 /nfs/dbraw/zinc/25/50/02/317255002.db2.gz QSSCXQKLTXCCJR-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000577050192 317255003 /nfs/dbraw/zinc/25/50/03/317255003.db2.gz QSSCXQKLTXCCJR-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CCNc1ccc(Cn2cccc([N+](=O)[O-])c2=O)c[nH+]1 ZINC000050829737 520318220 /nfs/dbraw/zinc/31/82/20/520318220.db2.gz WLVOHDQXERZVER-UHFFFAOYSA-N 1 2 274.280 1.632 10 5 CDBELO O=C(C[N@H+]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000049136713 526749760 /nfs/dbraw/zinc/74/97/60/526749760.db2.gz QVAWLMNCAPBSPV-GFCCVEGCSA-N 1 2 264.281 1.234 10 5 CDBELO O=C(C[N@@H+]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000049136713 526749766 /nfs/dbraw/zinc/74/97/66/526749766.db2.gz QVAWLMNCAPBSPV-GFCCVEGCSA-N 1 2 264.281 1.234 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000184008093 527355732 /nfs/dbraw/zinc/35/57/32/527355732.db2.gz BRCZTLHQSFQIJR-MNOVXSKESA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000184008093 527355740 /nfs/dbraw/zinc/35/57/40/527355740.db2.gz BRCZTLHQSFQIJR-MNOVXSKESA-N 1 2 286.715 1.176 10 5 CDBELO CON(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000774763915 575240288 /nfs/dbraw/zinc/24/02/88/575240288.db2.gz ONPLWDPLVDFORM-UHFFFAOYSA-N 1 2 293.323 1.579 10 5 CDBELO CON(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000774763915 575240291 /nfs/dbraw/zinc/24/02/91/575240291.db2.gz ONPLWDPLVDFORM-UHFFFAOYSA-N 1 2 293.323 1.579 10 5 CDBELO O=C(Cc1[nH]cc[nH+]1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001639088215 1166896774 /nfs/dbraw/zinc/89/67/74/1166896774.db2.gz ZQVLTMMOFRDLDY-UHFFFAOYSA-N 1 2 296.233 1.455 10 5 CDBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1F ZINC001641143018 1167080361 /nfs/dbraw/zinc/08/03/61/1167080361.db2.gz XFUIJQZEIFEOHH-QMMMGPOBSA-N 1 2 290.254 1.285 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(F)C1 ZINC001597355951 1174271484 /nfs/dbraw/zinc/27/14/84/1174271484.db2.gz GPIKYVWTNXBOJO-UHFFFAOYSA-N 1 2 290.254 1.574 10 5 CDBELO CCC/C=C\CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001699712135 1176580954 /nfs/dbraw/zinc/58/09/54/1176580954.db2.gz IABJNTUPGXUOBM-HLMASZERSA-N 1 2 295.383 1.541 10 5 CDBELO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)N(C)C ZINC000872067063 697883106 /nfs/dbraw/zinc/88/31/06/697883106.db2.gz UTDXSFFJPMLNIY-IUCAKERBSA-N 1 2 283.303 1.861 10 5 CDBELO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)C3CC3)C2)cc1 ZINC000840760197 698256854 /nfs/dbraw/zinc/25/68/54/698256854.db2.gz UCXFUDYNNOZJTG-AWEZNQCLSA-N 1 2 278.308 1.429 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)OCCCn2cc[nH+]c2)n1 ZINC000784959605 704822048 /nfs/dbraw/zinc/82/20/48/704822048.db2.gz OYVUYBVVVRIHFL-UHFFFAOYSA-N 1 2 293.283 1.255 10 5 CDBELO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081625 848539777 /nfs/dbraw/zinc/53/97/77/848539777.db2.gz IPCQVDWYAUALKA-MKPLZMMCSA-N 1 2 284.287 1.798 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001290160868 954033466 /nfs/dbraw/zinc/03/34/66/954033466.db2.gz GSQXTCGAFOCLIO-UHFFFAOYSA-N 1 2 260.253 1.808 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000601177659 342487186 /nfs/dbraw/zinc/48/71/86/342487186.db2.gz YVDVEYNHKDEWAO-LBPRGKRZSA-N 1 2 295.339 1.008 10 5 CDBELO Cc1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)co1 ZINC000595480457 343065265 /nfs/dbraw/zinc/06/52/65/343065265.db2.gz KPMVCXKBLDEXRF-UHFFFAOYSA-N 1 2 291.311 1.925 10 5 CDBELO Cc1noc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595547752 343084688 /nfs/dbraw/zinc/08/46/88/343084688.db2.gz WAUOZEHJLNYILV-APPZFPTMSA-N 1 2 255.274 1.236 10 5 CDBELO Cc1noc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595547752 343084690 /nfs/dbraw/zinc/08/46/90/343084690.db2.gz WAUOZEHJLNYILV-APPZFPTMSA-N 1 2 255.274 1.236 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2nccnc2C1 ZINC000595849348 343163734 /nfs/dbraw/zinc/16/37/34/343163734.db2.gz IENNDCQUMKFBFU-UHFFFAOYSA-N 1 2 270.292 1.943 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2nccnc2C1 ZINC000595849348 343163736 /nfs/dbraw/zinc/16/37/36/343163736.db2.gz IENNDCQUMKFBFU-UHFFFAOYSA-N 1 2 270.292 1.943 10 5 CDBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@H](O)C[C@H](O)C1 ZINC000599054070 343945992 /nfs/dbraw/zinc/94/59/92/343945992.db2.gz IRLXKEKPUCDNTQ-PHIMTYICSA-N 1 2 289.291 1.075 10 5 CDBELO CC[C@@H]1CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292438061 198288463 /nfs/dbraw/zinc/28/84/63/198288463.db2.gz OFWPFNIENDQWBV-LLVKDONJSA-N 1 2 298.364 1.853 10 5 CDBELO CC[C@@H]1CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292438061 198288465 /nfs/dbraw/zinc/28/84/65/198288465.db2.gz OFWPFNIENDQWBV-LLVKDONJSA-N 1 2 298.364 1.853 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cs1 ZINC000408205772 358398142 /nfs/dbraw/zinc/39/81/42/358398142.db2.gz RMWAKFGPPUOTNV-NSHDSACASA-N 1 2 283.353 1.173 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)cs1 ZINC000408205772 358398146 /nfs/dbraw/zinc/39/81/46/358398146.db2.gz RMWAKFGPPUOTNV-NSHDSACASA-N 1 2 283.353 1.173 10 5 CDBELO COc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000339586293 359416600 /nfs/dbraw/zinc/41/66/00/359416600.db2.gz HAGGUMZLOCTNJR-SNVBAGLBSA-N 1 2 266.297 1.824 10 5 CDBELO COc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000339586293 359416604 /nfs/dbraw/zinc/41/66/04/359416604.db2.gz HAGGUMZLOCTNJR-SNVBAGLBSA-N 1 2 266.297 1.824 10 5 CDBELO O=[N+]([O-])c1cnccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000340150337 359579629 /nfs/dbraw/zinc/57/96/29/359579629.db2.gz IGCSSRGQJXSMTO-UHFFFAOYSA-N 1 2 283.291 1.943 10 5 CDBELO CN(C)c1ccc(Nc2ncc([N+](=O)[O-])cn2)c[nH+]1 ZINC000302115029 201348590 /nfs/dbraw/zinc/34/85/90/201348590.db2.gz RFDWHNLQVDHWGO-UHFFFAOYSA-N 1 2 260.257 1.589 10 5 CDBELO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000331177639 374903840 /nfs/dbraw/zinc/90/38/40/374903840.db2.gz QGGLEYCLNUVPNE-GXSJLCMTSA-N 1 2 286.353 1.628 10 5 CDBELO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000331177639 374903848 /nfs/dbraw/zinc/90/38/48/374903848.db2.gz QGGLEYCLNUVPNE-GXSJLCMTSA-N 1 2 286.353 1.628 10 5 CDBELO C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000217316074 140162975 /nfs/dbraw/zinc/16/29/75/140162975.db2.gz BFUKRPUCENMSMX-UWVGGRQHSA-N 1 2 293.323 1.513 10 5 CDBELO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000236332705 140240119 /nfs/dbraw/zinc/24/01/19/140240119.db2.gz NWILWLJTDJGXKT-BDAKNGLRSA-N 1 2 279.296 1.756 10 5 CDBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000245748702 140276958 /nfs/dbraw/zinc/27/69/58/140276958.db2.gz AOWNYJVAFDVAOV-GJZGRUSLSA-N 1 2 292.335 1.739 10 5 CDBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000245748702 140276959 /nfs/dbraw/zinc/27/69/59/140276959.db2.gz AOWNYJVAFDVAOV-GJZGRUSLSA-N 1 2 292.335 1.739 10 5 CDBELO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000352951446 289195074 /nfs/dbraw/zinc/19/50/74/289195074.db2.gz NJCSAVBPRYXFKO-JTQLQIEISA-N 1 2 293.323 1.324 10 5 CDBELO CNc1[nH+]cccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000052733107 522711451 /nfs/dbraw/zinc/71/14/51/522711451.db2.gz AWYJISKWEDBVKQ-UHFFFAOYSA-N 1 2 261.285 1.893 10 5 CDBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cn1 ZINC000898494739 621765238 /nfs/dbraw/zinc/76/52/38/621765238.db2.gz GDDYDLGUMHBIPC-SNVBAGLBSA-N 1 2 296.302 1.154 10 5 CDBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cn1 ZINC000898494739 621765242 /nfs/dbraw/zinc/76/52/42/621765242.db2.gz GDDYDLGUMHBIPC-SNVBAGLBSA-N 1 2 296.302 1.154 10 5 CDBELO CC(C)(CCC(=O)NCc1[nH]c2c([nH+]1)CCCC2)[N+](=O)[O-] ZINC001635854855 1166629572 /nfs/dbraw/zinc/62/95/72/1166629572.db2.gz SZJGKDJIDOYXBA-UHFFFAOYSA-N 1 2 294.355 1.740 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000831170292 705787814 /nfs/dbraw/zinc/78/78/14/705787814.db2.gz QJINAASSEVJNHE-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000831170292 705787824 /nfs/dbraw/zinc/78/78/24/705787824.db2.gz QJINAASSEVJNHE-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO Cc1nonc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000809744350 710386430 /nfs/dbraw/zinc/38/64/30/710386430.db2.gz HHIBYVNRAAGFLH-UHFFFAOYSA-N 1 2 262.269 1.884 10 5 CDBELO Cn1c[nH+]c(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1 ZINC000840326145 711764057 /nfs/dbraw/zinc/76/40/57/711764057.db2.gz AOOGTSMGEVPQNK-UHFFFAOYSA-N 1 2 291.267 1.891 10 5 CDBELO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000931617278 711822168 /nfs/dbraw/zinc/82/21/68/711822168.db2.gz ZEJKCXUCZBPINW-JGVFFNPUSA-N 1 2 256.224 1.305 10 5 CDBELO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000931617278 711822170 /nfs/dbraw/zinc/82/21/70/711822170.db2.gz ZEJKCXUCZBPINW-JGVFFNPUSA-N 1 2 256.224 1.305 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1F ZINC000831180892 936495644 /nfs/dbraw/zinc/49/56/44/936495644.db2.gz CTFYQAIZVPIACU-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1F ZINC000831180892 936495647 /nfs/dbraw/zinc/49/56/47/936495647.db2.gz CTFYQAIZVPIACU-GFCCVEGCSA-N 1 2 290.241 1.936 10 5 CDBELO CC(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001264061585 944071368 /nfs/dbraw/zinc/07/13/68/944071368.db2.gz PSAIQNOXAIENTG-UHFFFAOYSA-N 1 2 274.280 1.919 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC001334603401 959235355 /nfs/dbraw/zinc/23/53/55/959235355.db2.gz MRSNVVUTKDSHRK-VHDGCEQUSA-N 1 2 290.319 1.714 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC001334603401 959235363 /nfs/dbraw/zinc/23/53/63/959235363.db2.gz MRSNVVUTKDSHRK-VHDGCEQUSA-N 1 2 290.319 1.714 10 5 CDBELO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001468255927 970141192 /nfs/dbraw/zinc/14/11/92/970141192.db2.gz FASHCIAQADNSCS-GCLPIYDQSA-N 1 2 298.302 1.546 10 5 CDBELO CC[C@@H](C[N+](=O)[O-])OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC001520099603 970143218 /nfs/dbraw/zinc/14/32/18/970143218.db2.gz SIJSMUQYHYWKPS-ZJUUUORDSA-N 1 2 276.358 1.022 10 5 CDBELO CC[C@@H](C[N+](=O)[O-])OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC001520099603 970143221 /nfs/dbraw/zinc/14/32/21/970143221.db2.gz SIJSMUQYHYWKPS-ZJUUUORDSA-N 1 2 276.358 1.022 10 5 CDBELO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000007659336 342003020 /nfs/dbraw/zinc/00/30/20/342003020.db2.gz VGTJQMKFQCZODL-UHFFFAOYSA-N 1 2 279.340 1.941 10 5 CDBELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000007659336 342003021 /nfs/dbraw/zinc/00/30/21/342003021.db2.gz VGTJQMKFQCZODL-UHFFFAOYSA-N 1 2 279.340 1.941 10 5 CDBELO CC(C)C[N@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000054174229 342146633 /nfs/dbraw/zinc/14/66/33/342146633.db2.gz AAHQFFSIPKRWDU-UHFFFAOYSA-N 1 2 271.342 1.600 10 5 CDBELO CC(C)C[N@@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000054174229 342146634 /nfs/dbraw/zinc/14/66/34/342146634.db2.gz AAHQFFSIPKRWDU-UHFFFAOYSA-N 1 2 271.342 1.600 10 5 CDBELO CC(C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000592258584 342683499 /nfs/dbraw/zinc/68/34/99/342683499.db2.gz VYOOYQSIKHKYBF-QPUJVOFHSA-N 1 2 281.312 1.858 10 5 CDBELO [NH3+]CC1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCC1 ZINC000592258577 342683527 /nfs/dbraw/zinc/68/35/27/342683527.db2.gz VISQYXRNVYIYDL-UHFFFAOYSA-N 1 2 279.296 1.758 10 5 CDBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC(CO)C1 ZINC000599064486 343947682 /nfs/dbraw/zinc/94/76/82/343947682.db2.gz 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ZINC000330446698 367780769 /nfs/dbraw/zinc/78/07/69/367780769.db2.gz FMACSJUILOREAF-ZANVPECISA-N 1 2 266.297 1.503 10 5 CDBELO Cc1sc(C(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000457879573 391654106 /nfs/dbraw/zinc/65/41/06/391654106.db2.gz JDVJKYJTXBXKTL-UHFFFAOYSA-N 1 2 294.336 1.671 10 5 CDBELO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cocn3)C2)nc1 ZINC000191944656 391986553 /nfs/dbraw/zinc/98/65/53/391986553.db2.gz FGBWVEZOORHWND-JTQLQIEISA-N 1 2 289.295 1.664 10 5 CDBELO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cocn3)C2)nc1 ZINC000191944656 391986568 /nfs/dbraw/zinc/98/65/68/391986568.db2.gz FGBWVEZOORHWND-JTQLQIEISA-N 1 2 289.295 1.664 10 5 CDBELO O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCCc1c[nH+]c[nH]1 ZINC000078740642 177379806 /nfs/dbraw/zinc/37/98/06/177379806.db2.gz DXVJYLKIIYWLHV-ZZXKWVIFSA-N 1 2 286.291 1.690 10 5 CDBELO O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCCc1c[nH]c[nH+]1 ZINC000078740642 177379807 /nfs/dbraw/zinc/37/98/07/177379807.db2.gz DXVJYLKIIYWLHV-ZZXKWVIFSA-N 1 2 286.291 1.690 10 5 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/nfs/dbraw/zinc/66/43/44/1171664344.db2.gz VFMHPENLYIZOEE-UHFFFAOYSA-N 1 2 290.323 1.839 10 5 CDBELO CC(C)(CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N+](=O)[O-] ZINC001584613763 1172834209 /nfs/dbraw/zinc/83/42/09/1172834209.db2.gz AGTNLCSWNMGPHK-NSHDSACASA-N 1 2 294.355 1.951 10 5 CDBELO O=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1CC[N@H+](CCF)C1 ZINC000802241693 712262285 /nfs/dbraw/zinc/26/22/85/712262285.db2.gz RSGSVBMSVYMZAV-LBPRGKRZSA-N 1 2 296.298 1.724 10 5 CDBELO O=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1CC[N@@H+](CCF)C1 ZINC000802241693 712262287 /nfs/dbraw/zinc/26/22/87/712262287.db2.gz RSGSVBMSVYMZAV-LBPRGKRZSA-N 1 2 296.298 1.724 10 5 CDBELO Cc1nn(C)c(N[C@@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927616 712308316 /nfs/dbraw/zinc/30/83/16/712308316.db2.gz DVVMDJNJFWUSFY-SNVBAGLBSA-N 1 2 285.323 1.483 10 5 CDBELO Cc1nn(C)c(N[C@@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927616 712308319 /nfs/dbraw/zinc/30/83/19/712308319.db2.gz DVVMDJNJFWUSFY-SNVBAGLBSA-N 1 2 285.323 1.483 10 5 CDBELO Cc1[nH]c(CNC(=O)c2csc([N+](=O)[O-])c2)[nH+]c1C ZINC001621992632 1165713294 /nfs/dbraw/zinc/71/32/94/1165713294.db2.gz PRSGCROBBPOXRB-UHFFFAOYSA-N 1 2 280.309 1.926 10 5 CDBELO CCN1C[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])OC1=O ZINC000846765905 932123698 /nfs/dbraw/zinc/12/36/98/932123698.db2.gz ZUEDFOMETGAVGC-LBPRGKRZSA-N 1 2 293.323 1.867 10 5 CDBELO CCN1C[C@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])OC1=O ZINC000846765905 932123704 /nfs/dbraw/zinc/12/37/04/932123704.db2.gz ZUEDFOMETGAVGC-LBPRGKRZSA-N 1 2 293.323 1.867 10 5 CDBELO Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCn1cc[nH+]c1 ZINC001440489782 964080238 /nfs/dbraw/zinc/08/02/38/964080238.db2.gz PPDXUJBRYZBSKE-UHFFFAOYSA-N 1 2 289.295 1.194 10 5 CDBELO Cn1cc([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001559088385 967458665 /nfs/dbraw/zinc/45/86/65/967458665.db2.gz WVHBNBLPKAESSO-UHFFFAOYSA-N 1 2 276.300 1.366 10 5 CDBELO CCc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c[nH+]1 ZINC001652461520 1171435957 /nfs/dbraw/zinc/43/59/57/1171435957.db2.gz XTFJUXKBELAUSW-UHFFFAOYSA-N 1 2 263.257 1.138 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]1 ZINC001652461520 1171435962 /nfs/dbraw/zinc/43/59/62/1171435962.db2.gz XTFJUXKBELAUSW-UHFFFAOYSA-N 1 2 263.257 1.138 10 5 CDBELO CCC[NH+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000233030274 342035728 /nfs/dbraw/zinc/03/57/28/342035728.db2.gz BYCWSUXCQWIFSA-UHFFFAOYSA-N 1 2 293.323 1.468 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000412061752 365673152 /nfs/dbraw/zinc/67/31/52/365673152.db2.gz AIOQSNANZFARMA-COPLHBTASA-N 1 2 280.324 1.737 10 5 CDBELO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(CCO)C1)OCCO2 ZINC000590968275 342612069 /nfs/dbraw/zinc/61/20/69/342612069.db2.gz OOTIYILZUDZCMX-UHFFFAOYSA-N 1 2 294.307 1.180 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000412061752 365673155 /nfs/dbraw/zinc/67/31/55/365673155.db2.gz AIOQSNANZFARMA-COPLHBTASA-N 1 2 280.324 1.737 10 5 CDBELO CCN1OC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000595414041 343051209 /nfs/dbraw/zinc/05/12/09/343051209.db2.gz HUSIRSGDBHEAEF-BXKDBHETSA-N 1 2 279.296 1.408 10 5 CDBELO C[C@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+](C)C ZINC000597993906 343683560 /nfs/dbraw/zinc/68/35/60/343683560.db2.gz VTHJATVWUAQXMJ-SECBINFHSA-N 1 2 281.312 1.370 10 5 CDBELO Cc1cnc(NC2CC([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000599094483 343953296 /nfs/dbraw/zinc/95/32/96/343953296.db2.gz JWRRVXXAFVJCEI-UHFFFAOYSA-N 1 2 292.339 1.573 10 5 CDBELO Cc1sc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000048963323 357201964 /nfs/dbraw/zinc/20/19/64/357201964.db2.gz XHNCJLFGQZAUAP-QMMMGPOBSA-N 1 2 294.336 1.980 10 5 CDBELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176417769 360288423 /nfs/dbraw/zinc/28/84/23/360288423.db2.gz JLUXLQRPBVFSPA-SNVBAGLBSA-N 1 2 298.343 1.453 10 5 CDBELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176417769 360288427 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CDBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282227629 375074369 /nfs/dbraw/zinc/07/43/69/375074369.db2.gz PFNVEFCVWPGGKV-GHMZBOCLSA-N 1 2 277.324 1.818 10 5 CDBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@]1(C)C[NH3+] ZINC000423973466 392968572 /nfs/dbraw/zinc/96/85/72/392968572.db2.gz BTJKPSWEEWUWPH-YMTOWFKASA-N 1 2 293.323 1.357 10 5 CDBELO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000195129076 393063433 /nfs/dbraw/zinc/06/34/33/393063433.db2.gz JBECFSYTXWVTCW-UHFFFAOYSA-N 1 2 281.337 1.577 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371817713 280374192 /nfs/dbraw/zinc/37/41/92/280374192.db2.gz XOXJWTZFBIZUCT-ZDUSSCGKSA-N 1 2 277.324 1.111 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371817713 280374194 /nfs/dbraw/zinc/37/41/94/280374194.db2.gz XOXJWTZFBIZUCT-ZDUSSCGKSA-N 1 2 277.324 1.111 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[NH+](C3CC3)CC2)s1 ZINC000195511329 280379734 /nfs/dbraw/zinc/37/97/34/280379734.db2.gz WJFDQIJWRRWXLN-UHFFFAOYSA-N 1 2 254.315 1.336 10 5 CDBELO C[N@@H+]1CCO[C@@H](CSc2ncc([N+](=O)[O-])cc2F)C1 ZINC000563050546 293257483 /nfs/dbraw/zinc/25/74/83/293257483.db2.gz XQOUFMYCKHQWMX-SECBINFHSA-N 1 2 287.316 1.552 10 5 CDBELO C[N@H+]1CCO[C@@H](CSc2ncc([N+](=O)[O-])cc2F)C1 ZINC000563050546 293257486 /nfs/dbraw/zinc/25/74/86/293257486.db2.gz XQOUFMYCKHQWMX-SECBINFHSA-N 1 2 287.316 1.552 10 5 CDBELO Cc1nn(CC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000578787077 324027422 /nfs/dbraw/zinc/02/74/22/324027422.db2.gz BFEZHRHLHXCKAX-NXEZZACHSA-N 1 2 268.317 1.209 10 5 CDBELO C[NH+](C)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000234238051 522101392 /nfs/dbraw/zinc/10/13/92/522101392.db2.gz ZZPYZFDMKWBBDH-VIFPVBQESA-N 1 2 279.296 1.077 10 5 CDBELO Nc1ccc(Cn2ncc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000050828939 527488336 /nfs/dbraw/zinc/48/83/36/527488336.db2.gz UBTGDYOZRIDMFQ-UHFFFAOYSA-N 1 2 269.264 1.970 10 5 CDBELO O=[N+]([O-])c1cnccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000727430524 574583196 /nfs/dbraw/zinc/58/31/96/574583196.db2.gz AXHHZNJZIVYUKN-UHFFFAOYSA-N 1 2 296.290 1.605 10 5 CDBELO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1c[nH+]cn1C ZINC001597446772 1174273528 /nfs/dbraw/zinc/27/35/28/1174273528.db2.gz DLYAIAQMJDMIEE-UHFFFAOYSA-N 1 2 292.270 1.706 10 5 CDBELO O=C(NCCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1Cl ZINC000139442781 1177409745 /nfs/dbraw/zinc/40/97/45/1177409745.db2.gz CYURMPVFRSCHNC-UHFFFAOYSA-N 1 2 294.698 1.944 10 5 CDBELO CCc1[nH]c(CNc2ncc([N+](=O)[O-])s2)c[nH+]1 ZINC001187739971 920640118 /nfs/dbraw/zinc/64/01/18/920640118.db2.gz RHEZGDUXOWPENB-UHFFFAOYSA-N 1 2 253.287 1.949 10 5 CDBELO CCc1[nH]cc(CNc2ncc([N+](=O)[O-])s2)[nH+]1 ZINC001187739971 920640126 /nfs/dbraw/zinc/64/01/26/920640126.db2.gz RHEZGDUXOWPENB-UHFFFAOYSA-N 1 2 253.287 1.949 10 5 CDBELO Cc1nn(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000853543346 928042473 /nfs/dbraw/zinc/04/24/73/928042473.db2.gz VNHFECRZGCBUTE-BETUJISGSA-N 1 2 280.328 1.416 10 5 CDBELO Cc1nn(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000853543346 928042484 /nfs/dbraw/zinc/04/24/84/928042484.db2.gz VNHFECRZGCBUTE-BETUJISGSA-N 1 2 280.328 1.416 10 5 CDBELO COCC1(C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000594591470 342922766 /nfs/dbraw/zinc/92/27/66/342922766.db2.gz FPNBXMIQBLTMCY-UHFFFAOYSA-N 1 2 276.296 1.732 10 5 CDBELO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595731451 343134062 /nfs/dbraw/zinc/13/40/62/343134062.db2.gz HBBXOKBIFSJLCQ-MSRIBSCDSA-N 1 2 280.324 1.749 10 5 CDBELO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595731451 343134063 /nfs/dbraw/zinc/13/40/63/343134063.db2.gz HBBXOKBIFSJLCQ-MSRIBSCDSA-N 1 2 280.324 1.749 10 5 CDBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](O)C1 ZINC000599041043 343943740 /nfs/dbraw/zinc/94/37/40/343943740.db2.gz RIGCQJKELAWYBP-JTQLQIEISA-N 1 2 259.265 1.714 10 5 CDBELO CNc1ccc(C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000050792212 522610038 /nfs/dbraw/zinc/61/00/38/522610038.db2.gz AWWLSBWOCGXXAU-UHFFFAOYSA-N 1 2 251.286 1.469 10 5 CDBELO C[C@H]1C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075518054 357948665 /nfs/dbraw/zinc/94/86/65/357948665.db2.gz LXVVGPDJXVMSTB-GXSJLCMTSA-N 1 2 286.291 1.919 10 5 CDBELO Cc1ccc(C[N@@H+]2CCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000093101600 358583875 /nfs/dbraw/zinc/58/38/75/358583875.db2.gz WJJWJKRCOXVHSH-UHFFFAOYSA-N 1 2 263.297 1.225 10 5 CDBELO Cc1ccc(C[N@H+]2CCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000093101600 358583879 /nfs/dbraw/zinc/58/38/79/358583879.db2.gz WJJWJKRCOXVHSH-UHFFFAOYSA-N 1 2 263.297 1.225 10 5 CDBELO C[C@@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450818120 359009125 /nfs/dbraw/zinc/00/91/25/359009125.db2.gz HOUKEAOGRIKDLD-SCZZXKLOSA-N 1 2 259.269 1.726 10 5 CDBELO Cn1c[nH+]cc1Cc1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000357940912 359099313 /nfs/dbraw/zinc/09/93/13/359099313.db2.gz XNNZOCFGBTUDHL-UHFFFAOYSA-N 1 2 288.267 1.308 10 5 CDBELO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000170649194 367522907 /nfs/dbraw/zinc/52/29/07/367522907.db2.gz TUOYBFJGGSTWFT-UHFFFAOYSA-N 1 2 299.334 1.707 10 5 CDBELO CN(C)c1[nH+]cccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272410009 367722862 /nfs/dbraw/zinc/72/28/62/367722862.db2.gz GIMHSQCJTIXBJT-UHFFFAOYSA-N 1 2 290.283 1.042 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191103648 373448943 /nfs/dbraw/zinc/44/89/43/373448943.db2.gz BGHSBHMIXBQNMD-LLVKDONJSA-N 1 2 277.324 1.820 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191103648 373448953 /nfs/dbraw/zinc/44/89/53/373448953.db2.gz BGHSBHMIXBQNMD-LLVKDONJSA-N 1 2 277.324 1.820 10 5 CDBELO C[NH+](C)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000507205325 254098732 /nfs/dbraw/zinc/09/87/32/254098732.db2.gz VQRPLFQNIZDZDG-ZDUSSCGKSA-N 1 2 293.323 1.370 10 5 CDBELO CC[N@@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000288176804 197020029 /nfs/dbraw/zinc/02/00/29/197020029.db2.gz ASPNOYXPRNLNMG-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CC[N@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000288176804 197020030 /nfs/dbraw/zinc/02/00/30/197020030.db2.gz ASPNOYXPRNLNMG-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CC[C@H]1C[N@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000517105989 390968349 /nfs/dbraw/zinc/96/83/49/390968349.db2.gz HZHXCYUUTKBMFE-LBPRGKRZSA-N 1 2 279.340 1.826 10 5 CDBELO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000517105989 390968350 /nfs/dbraw/zinc/96/83/50/390968350.db2.gz HZHXCYUUTKBMFE-LBPRGKRZSA-N 1 2 279.340 1.826 10 5 CDBELO C[C@@H](O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000412090041 391120674 /nfs/dbraw/zinc/12/06/74/391120674.db2.gz YMRXVHDBMPKKSF-ZWNOBZJWSA-N 1 2 266.297 1.176 10 5 CDBELO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000412090041 391120678 /nfs/dbraw/zinc/12/06/78/391120678.db2.gz YMRXVHDBMPKKSF-ZWNOBZJWSA-N 1 2 266.297 1.176 10 5 CDBELO CN(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000153006876 289153481 /nfs/dbraw/zinc/15/34/81/289153481.db2.gz GRUDNEZDUMIUOA-UHFFFAOYSA-N 1 2 289.335 1.574 10 5 CDBELO CN(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000153006876 289153483 /nfs/dbraw/zinc/15/34/83/289153483.db2.gz GRUDNEZDUMIUOA-UHFFFAOYSA-N 1 2 289.335 1.574 10 5 CDBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000153103575 289157429 /nfs/dbraw/zinc/15/74/29/289157429.db2.gz VPJQAOAUFOTWMH-UHFFFAOYSA-N 1 2 289.335 1.575 10 5 CDBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000153103575 289157430 /nfs/dbraw/zinc/15/74/30/289157430.db2.gz VPJQAOAUFOTWMH-UHFFFAOYSA-N 1 2 289.335 1.575 10 5 CDBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC1 ZINC000555798773 290238354 /nfs/dbraw/zinc/23/83/54/290238354.db2.gz AAXBOTVJLXFHGZ-UHFFFAOYSA-N 1 2 275.308 1.185 10 5 CDBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCC1 ZINC000555798773 290238356 /nfs/dbraw/zinc/23/83/56/290238356.db2.gz AAXBOTVJLXFHGZ-UHFFFAOYSA-N 1 2 275.308 1.185 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2nncc2C1 ZINC000583272090 325142717 /nfs/dbraw/zinc/14/27/17/325142717.db2.gz ZTOJWIYLUOBKIW-UHFFFAOYSA-N 1 2 289.295 1.211 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2nncc2C1 ZINC000583272090 325142721 /nfs/dbraw/zinc/14/27/21/325142721.db2.gz ZTOJWIYLUOBKIW-UHFFFAOYSA-N 1 2 289.295 1.211 10 5 CDBELO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000583498232 325187912 /nfs/dbraw/zinc/18/79/12/325187912.db2.gz FQCBYIHMCIMSIZ-JTQLQIEISA-N 1 2 253.258 1.222 10 5 CDBELO CCOC(=O)[C@@H]([NH3+])COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442045 521073344 /nfs/dbraw/zinc/07/33/44/521073344.db2.gz ALTBDOMOZUUZQF-JTQLQIEISA-N 1 2 282.296 1.481 10 5 CDBELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817783 521753149 /nfs/dbraw/zinc/75/31/49/521753149.db2.gz OODQLTDTVWSKHJ-CYBMUJFWSA-N 1 2 292.339 1.347 10 5 CDBELO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817783 521753157 /nfs/dbraw/zinc/75/31/57/521753157.db2.gz OODQLTDTVWSKHJ-CYBMUJFWSA-N 1 2 292.339 1.347 10 5 CDBELO Nc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC000050649702 527499737 /nfs/dbraw/zinc/49/97/37/527499737.db2.gz PNFXPLLHFBUFKL-UHFFFAOYSA-N 1 2 294.292 1.373 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001141367272 900839228 /nfs/dbraw/zinc/83/92/28/900839228.db2.gz UUGSAZBWYOIGGZ-GFCCVEGCSA-N 1 2 275.308 1.578 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001141367272 900839235 /nfs/dbraw/zinc/83/92/35/900839235.db2.gz UUGSAZBWYOIGGZ-GFCCVEGCSA-N 1 2 275.308 1.578 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC001335536633 959873977 /nfs/dbraw/zinc/87/39/77/959873977.db2.gz RHNKNNKBQFFXKE-AWEZNQCLSA-N 1 2 290.319 1.858 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC001335536633 959873988 /nfs/dbraw/zinc/87/39/88/959873988.db2.gz RHNKNNKBQFFXKE-AWEZNQCLSA-N 1 2 290.319 1.858 10 5 CDBELO C[C@@H](Nc1ncc(F)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000601113049 342470667 /nfs/dbraw/zinc/47/06/67/342470667.db2.gz BJKMAWNEHTXVAM-NXEZZACHSA-N 1 2 298.318 1.650 10 5 CDBELO C[C@@H]1COCC[N@@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601114233 342471659 /nfs/dbraw/zinc/47/16/59/342471659.db2.gz NAWIEBFDKBWNMX-SECBINFHSA-N 1 2 284.291 1.262 10 5 CDBELO C[C@@H]1COCC[N@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601114233 342471660 /nfs/dbraw/zinc/47/16/60/342471660.db2.gz NAWIEBFDKBWNMX-SECBINFHSA-N 1 2 284.291 1.262 10 5 CDBELO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593061202 342761079 /nfs/dbraw/zinc/76/10/79/342761079.db2.gz PTYJFXFXLMLOBW-VHSXEESVSA-N 1 2 284.287 1.316 10 5 CDBELO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593061202 342761080 /nfs/dbraw/zinc/76/10/80/342761080.db2.gz PTYJFXFXLMLOBW-VHSXEESVSA-N 1 2 284.287 1.316 10 5 CDBELO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000595559642 343097684 /nfs/dbraw/zinc/09/76/84/343097684.db2.gz TULVTTLCPOUOSZ-SNVBAGLBSA-N 1 2 269.301 1.892 10 5 CDBELO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000595559642 343097685 /nfs/dbraw/zinc/09/76/85/343097685.db2.gz TULVTTLCPOUOSZ-SNVBAGLBSA-N 1 2 269.301 1.892 10 5 CDBELO CC(C)[NH2+]CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000595933285 343185416 /nfs/dbraw/zinc/18/54/16/343185416.db2.gz UUBSTJFKQUJQNE-UHFFFAOYSA-N 1 2 253.258 1.237 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ccc(N)c([N+](=O)[O-])n1)CC2 ZINC000596189571 343252343 /nfs/dbraw/zinc/25/23/43/343252343.db2.gz KLFJUZSIRKXXHS-UHFFFAOYSA-N 1 2 274.284 1.097 10 5 CDBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](CO)C1 ZINC000599046494 343950343 /nfs/dbraw/zinc/95/03/43/343950343.db2.gz JYRRXKRZERBSSS-SNVBAGLBSA-N 1 2 273.292 1.962 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599694945 344117878 /nfs/dbraw/zinc/11/78/78/344117878.db2.gz IHVUZJQYVVISMR-LBPRGKRZSA-N 1 2 294.311 1.047 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599694945 344117879 /nfs/dbraw/zinc/11/78/79/344117879.db2.gz IHVUZJQYVVISMR-LBPRGKRZSA-N 1 2 294.311 1.047 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000601934522 344285565 /nfs/dbraw/zinc/28/55/65/344285565.db2.gz CFIXBMJBCWVHPO-SNVBAGLBSA-N 1 2 274.280 1.215 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000267437834 345731747 /nfs/dbraw/zinc/73/17/47/345731747.db2.gz YCNGHXHJGDXJLQ-SNVBAGLBSA-N 1 2 276.300 1.194 10 5 CDBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609623047 345981001 /nfs/dbraw/zinc/98/10/01/345981001.db2.gz HNQNKHXJEZBNAI-UHFFFAOYSA-N 1 2 271.236 1.823 10 5 CDBELO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000613936777 347955826 /nfs/dbraw/zinc/95/58/26/347955826.db2.gz RHAMDFHXXMSWIZ-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000613936777 347955829 /nfs/dbraw/zinc/95/58/29/347955829.db2.gz RHAMDFHXXMSWIZ-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1[N+](=O)[O-] ZINC000338968446 359252083 /nfs/dbraw/zinc/25/20/83/359252083.db2.gz OMZTTXNZVLGQLG-BETUJISGSA-N 1 2 278.308 1.503 10 5 CDBELO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1[N+](=O)[O-] ZINC000338968446 359252086 /nfs/dbraw/zinc/25/20/86/359252086.db2.gz OMZTTXNZVLGQLG-BETUJISGSA-N 1 2 278.308 1.503 10 5 CDBELO Cn1c[nH+]cc1Cc1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000545832066 364771128 /nfs/dbraw/zinc/77/11/28/364771128.db2.gz LZDWHDONHZADOV-UHFFFAOYSA-N 1 2 288.267 1.308 10 5 CDBELO COc1cc(C[NH+]2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000351976941 367117016 /nfs/dbraw/zinc/11/70/16/367117016.db2.gz DOHKSDIRBRXZSE-UHFFFAOYSA-N 1 2 293.323 1.268 10 5 CDBELO CN(Cc1ccc(N)[nH+]c1)c1ncc([N+](=O)[O-])s1 ZINC000253395258 373684479 /nfs/dbraw/zinc/68/44/79/373684479.db2.gz RKMUSENKGIMXBB-UHFFFAOYSA-N 1 2 265.298 1.665 10 5 CDBELO CNC(=O)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000267105719 190303880 /nfs/dbraw/zinc/30/38/80/190303880.db2.gz ZIBKHARZGOKMRJ-NSHDSACASA-N 1 2 292.339 1.613 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ncc([N+](=O)[O-])s1)CC2 ZINC000367159264 391620155 /nfs/dbraw/zinc/62/01/55/391620155.db2.gz LTABOTDVAQAPPX-UHFFFAOYSA-N 1 2 265.298 1.576 10 5 CDBELO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315944 140164021 /nfs/dbraw/zinc/16/40/21/140164021.db2.gz NHCSWEZZFXCLCR-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294664547 280364693 /nfs/dbraw/zinc/36/46/93/280364693.db2.gz AKDPVKYDGWRHOQ-NSHDSACASA-N 1 2 286.715 1.441 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000294664547 280364698 /nfs/dbraw/zinc/36/46/98/280364698.db2.gz AKDPVKYDGWRHOQ-NSHDSACASA-N 1 2 286.715 1.441 10 5 CDBELO O=C(C[NH2+]CC1CC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000564569284 293373456 /nfs/dbraw/zinc/37/34/56/293373456.db2.gz XVMMIDVSIGAVKQ-UHFFFAOYSA-N 1 2 265.269 1.239 10 5 CDBELO CC[NH2+][C@H](CCOc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000062539418 520194263 /nfs/dbraw/zinc/19/42/63/520194263.db2.gz YPRYZVIOODZKPR-LLVKDONJSA-N 1 2 296.323 1.905 10 5 CDBELO CNc1ccc(Cn2cccc([N+](=O)[O-])c2=O)c[nH+]1 ZINC000050829736 522628009 /nfs/dbraw/zinc/62/80/09/522628009.db2.gz HIGJZORQRTVGDY-UHFFFAOYSA-N 1 2 260.253 1.242 10 5 CDBELO C[C@H](C[NH+]1CCOCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000049509289 524359899 /nfs/dbraw/zinc/35/98/99/524359899.db2.gz ZQNFAIJJNMCOSJ-SNVBAGLBSA-N 1 2 283.303 1.867 10 5 CDBELO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928277 679162200 /nfs/dbraw/zinc/16/22/00/679162200.db2.gz VXURAIDQQLJFJM-SNVBAGLBSA-N 1 2 268.292 1.258 10 5 CDBELO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928277 679162203 /nfs/dbraw/zinc/16/22/03/679162203.db2.gz VXURAIDQQLJFJM-SNVBAGLBSA-N 1 2 268.292 1.258 10 5 CDBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](CCF)C2)nc1 ZINC000865927745 678319066 /nfs/dbraw/zinc/31/90/66/678319066.db2.gz GTJZEKZWILVBLI-SECBINFHSA-N 1 2 269.280 1.231 10 5 CDBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](CCF)C2)nc1 ZINC000865927745 678319071 /nfs/dbraw/zinc/31/90/71/678319071.db2.gz GTJZEKZWILVBLI-SECBINFHSA-N 1 2 269.280 1.231 10 5 CDBELO CC1(C)OC[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851908077 679396980 /nfs/dbraw/zinc/39/69/80/679396980.db2.gz LBPJPTNMOLGXLX-GFCCVEGCSA-N 1 2 293.323 1.499 10 5 CDBELO CC1(C)OC[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851908077 679396983 /nfs/dbraw/zinc/39/69/83/679396983.db2.gz LBPJPTNMOLGXLX-GFCCVEGCSA-N 1 2 293.323 1.499 10 5 CDBELO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)C3CC3)C2)cc1 ZINC000840760198 679535631 /nfs/dbraw/zinc/53/56/31/679535631.db2.gz UCXFUDYNNOZJTG-CQSZACIVSA-N 1 2 278.308 1.429 10 5 CDBELO C[C@@H]1CCN(c2nn(C)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC001655263780 1171682850 /nfs/dbraw/zinc/68/28/50/1171682850.db2.gz NNIQYDBFMXBMJL-GHMZBOCLSA-N 1 2 290.327 1.612 10 5 CDBELO O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001583418802 1172757183 /nfs/dbraw/zinc/75/71/83/1172757183.db2.gz LLGPTYZIPWGTDP-ZIAGYGMSSA-N 1 2 298.302 1.851 10 5 CDBELO COC(=O)C1(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001325182075 953762550 /nfs/dbraw/zinc/76/25/50/953762550.db2.gz QQNPECMODKHNSO-UHFFFAOYSA-N 1 2 276.292 1.864 10 5 CDBELO COC(=O)C1(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001325182075 953762559 /nfs/dbraw/zinc/76/25/59/953762559.db2.gz QQNPECMODKHNSO-UHFFFAOYSA-N 1 2 276.292 1.864 10 5 CDBELO CC(C)(CCC(=O)NCCCCn1cc[nH+]c1)[N+](=O)[O-] ZINC001292967317 954277399 /nfs/dbraw/zinc/27/73/99/954277399.db2.gz YSLCGZYTJUXQAR-UHFFFAOYSA-N 1 2 282.344 1.615 10 5 CDBELO O=C(Nc1ccccc1Nc1cc[nH+]cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001297273912 954994606 /nfs/dbraw/zinc/99/46/06/954994606.db2.gz QIGJDJACSWODSY-BXUZGUMPSA-N 1 2 298.302 1.851 10 5 CDBELO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCS(=O)CC1 ZINC001559601158 960788064 /nfs/dbraw/zinc/78/80/64/960788064.db2.gz SUTWHXRTDUYOEX-UHFFFAOYSA-N 1 2 283.353 1.333 10 5 CDBELO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCS(=O)CC1 ZINC001559601158 960788071 /nfs/dbraw/zinc/78/80/71/960788071.db2.gz SUTWHXRTDUYOEX-UHFFFAOYSA-N 1 2 283.353 1.333 10 5 CDBELO Nc1[nH+]cccc1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC001458382465 969294617 /nfs/dbraw/zinc/29/46/17/969294617.db2.gz LMGRPJDXMBJZTC-UHFFFAOYSA-N 1 2 284.279 1.832 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001466636629 969982806 /nfs/dbraw/zinc/98/28/06/969982806.db2.gz UQVGOUXZPANUNY-NSHDSACASA-N 1 2 289.295 1.504 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001466636629 969982810 /nfs/dbraw/zinc/98/28/10/969982810.db2.gz UQVGOUXZPANUNY-NSHDSACASA-N 1 2 289.295 1.504 10 5 CDBELO CC[C@@H](C[N+](=O)[O-])OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC001520099601 970143350 /nfs/dbraw/zinc/14/33/50/970143350.db2.gz SIJSMUQYHYWKPS-UWVGGRQHSA-N 1 2 276.358 1.022 10 5 CDBELO CC[C@@H](C[N+](=O)[O-])OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC001520099601 970143355 /nfs/dbraw/zinc/14/33/55/970143355.db2.gz SIJSMUQYHYWKPS-UWVGGRQHSA-N 1 2 276.358 1.022 10 5 CDBELO CN(C#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001523736668 970752740 /nfs/dbraw/zinc/75/27/40/970752740.db2.gz ZGBOLKVLPJJVTR-UHFFFAOYSA-N 1 2 271.236 1.334 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124796579 187154569 /nfs/dbraw/zinc/15/45/69/187154569.db2.gz MGXDTDJEHJCKES-SNVBAGLBSA-N 1 2 285.731 1.991 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124796579 187154570 /nfs/dbraw/zinc/15/45/70/187154570.db2.gz MGXDTDJEHJCKES-SNVBAGLBSA-N 1 2 285.731 1.991 10 5 CDBELO C[N@@H+]1CCO[C@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000591955525 342658350 /nfs/dbraw/zinc/65/83/50/342658350.db2.gz JDJFVDTWIGRHQI-VIFPVBQESA-N 1 2 269.326 1.413 10 5 CDBELO C[N@H+]1CCO[C@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000591955525 342658351 /nfs/dbraw/zinc/65/83/51/342658351.db2.gz JDJFVDTWIGRHQI-VIFPVBQESA-N 1 2 269.326 1.413 10 5 CDBELO COc1cc(C[NH+]2CC(C)(C(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000573483968 361886989 /nfs/dbraw/zinc/88/69/89/361886989.db2.gz RGUFGAFBBOMWPE-UHFFFAOYSA-N 1 2 297.286 1.050 10 5 CDBELO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@H+](C)C1 ZINC000597946316 343676269 /nfs/dbraw/zinc/67/62/69/343676269.db2.gz OCYPCVHEXATLIJ-NSHDSACASA-N 1 2 293.323 1.467 10 5 CDBELO CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CC[N@@H+](C)C1 ZINC000597946316 343676271 /nfs/dbraw/zinc/67/62/71/343676271.db2.gz OCYPCVHEXATLIJ-NSHDSACASA-N 1 2 293.323 1.467 10 5 CDBELO NC(=O)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039741 343943481 /nfs/dbraw/zinc/94/34/81/343943481.db2.gz XDNBXJOEBINFIR-SNVBAGLBSA-N 1 2 286.291 1.455 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000052954393 346500553 /nfs/dbraw/zinc/50/05/53/346500553.db2.gz NJNILJFOIGVMBD-UHFFFAOYSA-N 1 2 289.295 1.304 10 5 CDBELO Nc1cc(NCCCn2cc[nH+]c2)cc(CO)c1[N+](=O)[O-] ZINC000612397823 347142149 /nfs/dbraw/zinc/14/21/49/347142149.db2.gz TZTBVZHSWLWRTQ-UHFFFAOYSA-N 1 2 291.311 1.368 10 5 CDBELO O=C(Cn1cc[nH+]c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349508 349264307 /nfs/dbraw/zinc/26/43/07/349264307.db2.gz KTTGWCUXXFJLTK-UHFFFAOYSA-N 1 2 286.291 1.376 10 5 CDBELO CCC[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000155939703 188236191 /nfs/dbraw/zinc/23/61/91/188236191.db2.gz JLUUDCHOZOZKNT-JTQLQIEISA-N 1 2 281.312 1.969 10 5 CDBELO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000361580054 358336903 /nfs/dbraw/zinc/33/69/03/358336903.db2.gz VPXHHQFNVMBDPK-MFKMUULPSA-N 1 2 298.314 1.706 10 5 CDBELO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000361580054 358336904 /nfs/dbraw/zinc/33/69/04/358336904.db2.gz VPXHHQFNVMBDPK-MFKMUULPSA-N 1 2 298.314 1.706 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(SC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000569335619 359225581 /nfs/dbraw/zinc/22/55/81/359225581.db2.gz ZGXVXAOSQJELTC-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(SC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000569335619 359225586 /nfs/dbraw/zinc/22/55/86/359225586.db2.gz ZGXVXAOSQJELTC-JTQLQIEISA-N 1 2 283.353 1.721 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235144649 359800300 /nfs/dbraw/zinc/80/03/00/359800300.db2.gz NDCIKHVEJAQPAV-VIFPVBQESA-N 1 2 290.279 1.315 10 5 CDBELO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275350909 193008178 /nfs/dbraw/zinc/00/81/78/193008178.db2.gz ZTBVMHJFTSJIKD-QMTHXVAHSA-N 1 2 278.308 1.539 10 5 CDBELO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275350909 193008182 /nfs/dbraw/zinc/00/81/82/193008182.db2.gz ZTBVMHJFTSJIKD-QMTHXVAHSA-N 1 2 278.308 1.539 10 5 CDBELO CCc1nc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)no1 ZINC000441260454 368845873 /nfs/dbraw/zinc/84/58/73/368845873.db2.gz SUHOOYKWBZONCT-UHFFFAOYSA-N 1 2 294.315 1.262 10 5 CDBELO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000344359318 371999267 /nfs/dbraw/zinc/99/92/67/371999267.db2.gz PFKLOUBUTNOBNC-UHFFFAOYSA-N 1 2 281.703 1.667 10 5 CDBELO CC[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226777286 375395628 /nfs/dbraw/zinc/39/56/28/375395628.db2.gz VLEWAPDJTLMLSH-QMMMGPOBSA-N 1 2 272.330 1.184 10 5 CDBELO CC[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226777286 375395634 /nfs/dbraw/zinc/39/56/34/375395634.db2.gz VLEWAPDJTLMLSH-QMMMGPOBSA-N 1 2 272.330 1.184 10 5 CDBELO CC(C)[NH+]1CC(NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000457713034 391568766 /nfs/dbraw/zinc/56/87/66/391568766.db2.gz AOURXFJCIPAQIF-UHFFFAOYSA-N 1 2 279.296 1.123 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[NH+]2CCC1CC2 ZINC000188842293 140102884 /nfs/dbraw/zinc/10/28/84/140102884.db2.gz PCGVEPBWCQCMCZ-UHFFFAOYSA-N 1 2 291.307 1.221 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000374645904 160304288 /nfs/dbraw/zinc/30/42/88/160304288.db2.gz JVEQKUBIAIMJNU-UHFFFAOYSA-N 1 2 286.291 1.756 10 5 CDBELO C[NH+](C)C1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000416307987 289057710 /nfs/dbraw/zinc/05/77/10/289057710.db2.gz OAPPMLWRTIYETJ-UHFFFAOYSA-N 1 2 279.296 1.124 10 5 CDBELO Cc1nc(SC[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000568981359 294133863 /nfs/dbraw/zinc/13/38/63/294133863.db2.gz UDVYLWASDQMKOF-SECBINFHSA-N 1 2 284.341 1.116 10 5 CDBELO Cc1nc(SC[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000568981359 294133865 /nfs/dbraw/zinc/13/38/65/294133865.db2.gz UDVYLWASDQMKOF-SECBINFHSA-N 1 2 284.341 1.116 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000339125371 304804307 /nfs/dbraw/zinc/80/43/07/304804307.db2.gz VAQDHNKCQUFZPV-GXFFZTMASA-N 1 2 280.324 1.941 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OCCO)CC1 ZINC000339054320 527371268 /nfs/dbraw/zinc/37/12/68/527371268.db2.gz JUNUJESWRPCUKV-UHFFFAOYSA-N 1 2 296.323 1.274 10 5 CDBELO Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000050649703 527505564 /nfs/dbraw/zinc/50/55/64/527505564.db2.gz CLJGYHTURDSWRB-UHFFFAOYSA-N 1 2 294.292 1.373 10 5 CDBELO [NH3+][C@@H](CC(=O)NCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000724727160 681521982 /nfs/dbraw/zinc/52/19/82/681521982.db2.gz JWRZZPCLIRIJFR-VIFPVBQESA-N 1 2 273.239 1.194 10 5 CDBELO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000848674243 681713800 /nfs/dbraw/zinc/71/38/00/681713800.db2.gz PUWDLCKBZNUJSD-LLVKDONJSA-N 1 2 284.262 1.969 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000852121180 683880068 /nfs/dbraw/zinc/88/00/68/683880068.db2.gz KINSTBCWAISDGI-SNVBAGLBSA-N 1 2 277.227 1.093 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@](O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000852121180 683880070 /nfs/dbraw/zinc/88/00/70/683880070.db2.gz KINSTBCWAISDGI-SNVBAGLBSA-N 1 2 277.227 1.093 10 5 CDBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1F ZINC001628086039 1166038277 /nfs/dbraw/zinc/03/82/77/1166038277.db2.gz CCXWFCWAKCWLTD-QMMMGPOBSA-N 1 2 290.254 1.285 10 5 CDBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1 ZINC001641140962 1167079777 /nfs/dbraw/zinc/07/97/77/1167079777.db2.gz IGDNSCPVWXBNRX-JTQLQIEISA-N 1 2 272.264 1.146 10 5 CDBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC001569394027 1169847248 /nfs/dbraw/zinc/84/72/48/1169847248.db2.gz SSVRMUHSEBYKGR-SECBINFHSA-N 1 2 290.254 1.285 10 5 CDBELO Cc1[nH]c(CNC(=O)Cc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC001587804936 1173001338 /nfs/dbraw/zinc/00/13/38/1173001338.db2.gz BWCIENFNDHUBFW-UHFFFAOYSA-N 1 2 288.307 1.794 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NCCCNc2cccc[nH+]2)n1 ZINC001639293592 1166922389 /nfs/dbraw/zinc/92/23/89/1166922389.db2.gz ZFUKOFLFDBYHBK-UHFFFAOYSA-N 1 2 276.300 1.637 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NCc2nc(C[NH+](C)C)cs2)n1 ZINC000722392056 944709150 /nfs/dbraw/zinc/70/91/50/944709150.db2.gz MQUQABDDBCOEDT-UHFFFAOYSA-N 1 2 296.356 1.459 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1[nH+]ccn1C ZINC001348614133 966092756 /nfs/dbraw/zinc/09/27/56/966092756.db2.gz GSUQLUYKGGOCDF-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001472227597 970598459 /nfs/dbraw/zinc/59/84/59/970598459.db2.gz STQGSLYSDAAQGW-SNVBAGLBSA-N 1 2 278.312 1.518 10 5 CDBELO CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001472227597 970598464 /nfs/dbraw/zinc/59/84/64/970598464.db2.gz STQGSLYSDAAQGW-SNVBAGLBSA-N 1 2 278.312 1.518 10 5 CDBELO C[C@@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595731457 343134391 /nfs/dbraw/zinc/13/43/91/343134391.db2.gz HBBXOKBIFSJLCQ-NXEZZACHSA-N 1 2 280.324 1.749 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000093839614 345629068 /nfs/dbraw/zinc/62/90/68/345629068.db2.gz KUTHTKUJHQUFQQ-JTQLQIEISA-N 1 2 266.297 1.769 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000093839614 345629072 /nfs/dbraw/zinc/62/90/72/345629072.db2.gz KUTHTKUJHQUFQQ-JTQLQIEISA-N 1 2 266.297 1.769 10 5 CDBELO C[C@@H]1CC[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408307333 359015192 /nfs/dbraw/zinc/01/51/92/359015192.db2.gz DJRDOQASEKTDBO-MFKMUULPSA-N 1 2 277.324 1.915 10 5 CDBELO C[C@@H]1CC[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408307333 359015196 /nfs/dbraw/zinc/01/51/96/359015196.db2.gz DJRDOQASEKTDBO-MFKMUULPSA-N 1 2 277.324 1.915 10 5 CDBELO O=C1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000182127895 189314378 /nfs/dbraw/zinc/31/43/78/189314378.db2.gz ULWHLDCMLLCVMS-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO O=C1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000182127895 189314379 /nfs/dbraw/zinc/31/43/79/189314379.db2.gz ULWHLDCMLLCVMS-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)C(N)=O ZINC000183331340 189354795 /nfs/dbraw/zinc/35/47/95/189354795.db2.gz JOVQJRAYHDLYJZ-LLVKDONJSA-N 1 2 295.339 1.225 10 5 CDBELO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)C(N)=O ZINC000183331340 189354796 /nfs/dbraw/zinc/35/47/96/189354796.db2.gz JOVQJRAYHDLYJZ-LLVKDONJSA-N 1 2 295.339 1.225 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000184008075 189374059 /nfs/dbraw/zinc/37/40/59/189374059.db2.gz BRCZTLHQSFQIJR-GHMZBOCLSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000184008075 189374060 /nfs/dbraw/zinc/37/40/60/189374060.db2.gz BRCZTLHQSFQIJR-GHMZBOCLSA-N 1 2 286.715 1.176 10 5 CDBELO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000384597430 364812741 /nfs/dbraw/zinc/81/27/41/364812741.db2.gz WLUBIGGBBOUIJD-WCBMZHEXSA-N 1 2 279.296 1.627 10 5 CDBELO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275350910 193007872 /nfs/dbraw/zinc/00/78/72/193007872.db2.gz ZTBVMHJFTSJIKD-YGRLFVJLSA-N 1 2 278.308 1.539 10 5 CDBELO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000275350910 193007873 /nfs/dbraw/zinc/00/78/73/193007873.db2.gz ZTBVMHJFTSJIKD-YGRLFVJLSA-N 1 2 278.308 1.539 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000414568650 241263336 /nfs/dbraw/zinc/26/33/36/241263336.db2.gz HRKZVGXIBGQSGD-BXUZGUMPSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000414568650 241263342 /nfs/dbraw/zinc/26/33/42/241263342.db2.gz HRKZVGXIBGQSGD-BXUZGUMPSA-N 1 2 280.324 1.485 10 5 CDBELO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000330606374 203030761 /nfs/dbraw/zinc/03/07/61/203030761.db2.gz IQGDKFLGUXPQTF-LBPRGKRZSA-N 1 2 298.364 1.461 10 5 CDBELO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000330606374 203030763 /nfs/dbraw/zinc/03/07/63/203030763.db2.gz IQGDKFLGUXPQTF-LBPRGKRZSA-N 1 2 298.364 1.461 10 5 CDBELO Cc1cc(NCCc2cn(C)c[nH+]2)ncc1[N+](=O)[O-] ZINC000313449057 374340317 /nfs/dbraw/zinc/34/03/17/374340317.db2.gz XEFSOWGOCPFQDE-UHFFFAOYSA-N 1 2 261.285 1.686 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330459026 374856980 /nfs/dbraw/zinc/85/69/80/374856980.db2.gz STAXZTDMJXPKBT-NOZJJQNGSA-N 1 2 266.297 1.503 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330459026 374856985 /nfs/dbraw/zinc/85/69/85/374856985.db2.gz STAXZTDMJXPKBT-NOZJJQNGSA-N 1 2 266.297 1.503 10 5 CDBELO CC[C@H](NC(=O)c1nn(CC)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000427720863 247181954 /nfs/dbraw/zinc/18/19/54/247181954.db2.gz OWQFDQVVJMISRG-QMMMGPOBSA-N 1 2 292.299 1.415 10 5 CDBELO Nc1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1[N+](=O)[O-] ZINC000515466113 390947624 /nfs/dbraw/zinc/94/76/24/390947624.db2.gz KUROASOGZODAIJ-UHFFFAOYSA-N 1 2 286.251 1.472 10 5 CDBELO COc1cc(C[NH+]2CC(C)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000459624504 392494376 /nfs/dbraw/zinc/49/43/76/392494376.db2.gz VIOBNFAMIGWWGW-UHFFFAOYSA-N 1 2 296.323 1.426 10 5 CDBELO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CSC[NH2+]1 ZINC000020373463 171169438 /nfs/dbraw/zinc/16/94/38/171169438.db2.gz BWQSMAOIGFTADH-SECBINFHSA-N 1 2 253.283 1.196 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]cn1C ZINC000542480517 289545884 /nfs/dbraw/zinc/54/58/84/289545884.db2.gz LZKJUAHXLWADMX-UHFFFAOYSA-N 1 2 289.295 1.004 10 5 CDBELO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000408308795 300268539 /nfs/dbraw/zinc/26/85/39/300268539.db2.gz KYXJQEFQYRPBGF-QMMMGPOBSA-N 1 2 256.331 1.266 10 5 CDBELO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000408308795 300268542 /nfs/dbraw/zinc/26/85/42/300268542.db2.gz KYXJQEFQYRPBGF-QMMMGPOBSA-N 1 2 256.331 1.266 10 5 CDBELO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183329266 323330676 /nfs/dbraw/zinc/33/06/76/323330676.db2.gz UJTUODIUYZFVJU-CYBMUJFWSA-N 1 2 294.307 1.277 10 5 CDBELO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183329266 323330679 /nfs/dbraw/zinc/33/06/79/323330679.db2.gz UJTUODIUYZFVJU-CYBMUJFWSA-N 1 2 294.307 1.277 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000050812510 520330614 /nfs/dbraw/zinc/33/06/14/520330614.db2.gz FSNLVIREKCDUJI-CYBMUJFWSA-N 1 2 292.339 1.476 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000050812510 520330618 /nfs/dbraw/zinc/33/06/18/520330618.db2.gz FSNLVIREKCDUJI-CYBMUJFWSA-N 1 2 292.339 1.476 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000050812508 522645180 /nfs/dbraw/zinc/64/51/80/522645180.db2.gz KLAHOHROVVWXSG-GFCCVEGCSA-N 1 2 278.312 1.086 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000050812508 522645191 /nfs/dbraw/zinc/64/51/91/522645191.db2.gz KLAHOHROVVWXSG-GFCCVEGCSA-N 1 2 278.312 1.086 10 5 CDBELO COC(=O)[C@@H]1CCC[N@@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727253 523695672 /nfs/dbraw/zinc/69/56/72/523695672.db2.gz OFAPMWNVRYXLOV-ZDUSSCGKSA-N 1 2 278.308 1.775 10 5 CDBELO COC(=O)[C@@H]1CCC[N@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727253 523695678 /nfs/dbraw/zinc/69/56/78/523695678.db2.gz OFAPMWNVRYXLOV-ZDUSSCGKSA-N 1 2 278.308 1.775 10 5 CDBELO O=[N+]([O-])c1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)ccc1O ZINC000725269276 538460472 /nfs/dbraw/zinc/46/04/72/538460472.db2.gz JEVDKURMTOTNHP-NEPJUHHUSA-N 1 2 278.308 1.815 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCn1cc[nH+]c1 ZINC000771943563 575733578 /nfs/dbraw/zinc/73/35/78/575733578.db2.gz MBTQMKKBWRQICF-UHFFFAOYSA-N 1 2 275.264 1.957 10 5 CDBELO O=C1OCCN1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757163544 577032961 /nfs/dbraw/zinc/03/29/61/577032961.db2.gz MRBZMXAZPJHOCQ-UHFFFAOYSA-N 1 2 291.307 1.405 10 5 CDBELO O=C1OCCN1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757163544 577032964 /nfs/dbraw/zinc/03/29/64/577032964.db2.gz MRBZMXAZPJHOCQ-UHFFFAOYSA-N 1 2 291.307 1.405 10 5 CDBELO CC(C)c1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)[nH+]1 ZINC001636016932 1166640856 /nfs/dbraw/zinc/64/08/56/1166640856.db2.gz RMXCSZKVKSJMLF-UHFFFAOYSA-N 1 2 289.295 1.766 10 5 CDBELO CC(C)c1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC001636016932 1166640857 /nfs/dbraw/zinc/64/08/57/1166640857.db2.gz RMXCSZKVKSJMLF-UHFFFAOYSA-N 1 2 289.295 1.766 10 5 CDBELO CCCONC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001639014498 1166892381 /nfs/dbraw/zinc/89/23/81/1166892381.db2.gz KJCUPHZNFJAJOU-UHFFFAOYSA-N 1 2 290.279 1.852 10 5 CDBELO Cc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001643075978 1167222646 /nfs/dbraw/zinc/22/26/46/1167222646.db2.gz KLVXHADXLVYCCU-UHFFFAOYSA-N 1 2 275.268 1.260 10 5 CDBELO Cc1nnc([C@@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001643450657 1167251295 /nfs/dbraw/zinc/25/12/95/1167251295.db2.gz ZRGWAYFZCRRBBR-SNVBAGLBSA-N 1 2 288.311 1.406 10 5 CDBELO Cc1nnc([C@@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC001643450657 1167251303 /nfs/dbraw/zinc/25/13/03/1167251303.db2.gz ZRGWAYFZCRRBBR-SNVBAGLBSA-N 1 2 288.311 1.406 10 5 CDBELO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC001643450657 1167251314 /nfs/dbraw/zinc/25/13/14/1167251314.db2.gz ZRGWAYFZCRRBBR-SNVBAGLBSA-N 1 2 288.311 1.406 10 5 CDBELO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC001643450657 1167251323 /nfs/dbraw/zinc/25/13/23/1167251323.db2.gz ZRGWAYFZCRRBBR-SNVBAGLBSA-N 1 2 288.311 1.406 10 5 CDBELO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601194390 342488648 /nfs/dbraw/zinc/48/86/48/342488648.db2.gz ZVTXJHJLMGXZEY-ZJUUUORDSA-N 1 2 298.318 1.650 10 5 CDBELO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601194390 342488649 /nfs/dbraw/zinc/48/86/49/342488649.db2.gz ZVTXJHJLMGXZEY-ZJUUUORDSA-N 1 2 298.318 1.650 10 5 CDBELO C[C@@H](C[NH+]1CCOCC1)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401227388 342483577 /nfs/dbraw/zinc/48/35/77/342483577.db2.gz YMBUHINMGHEPIW-VIFPVBQESA-N 1 2 284.291 1.262 10 5 CDBELO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581818 342055121 /nfs/dbraw/zinc/05/51/21/342055121.db2.gz UUACOPOMZVPJQN-SECBINFHSA-N 1 2 279.296 1.629 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cc3n(n1)CCC3)CC2 ZINC000593019531 342758186 /nfs/dbraw/zinc/75/81/86/342758186.db2.gz CCPXJDXMZYNWFW-UHFFFAOYSA-N 1 2 299.334 1.691 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cc3n(n1)CCC3)CC2 ZINC000593019531 342758187 /nfs/dbraw/zinc/75/81/87/342758187.db2.gz CCPXJDXMZYNWFW-UHFFFAOYSA-N 1 2 299.334 1.691 10 5 CDBELO COCc1n[nH]c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000594969043 342991793 /nfs/dbraw/zinc/99/17/93/342991793.db2.gz LQULWYGVIGKUBV-UHFFFAOYSA-N 1 2 277.284 1.149 10 5 CDBELO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000595660635 343119474 /nfs/dbraw/zinc/11/94/74/343119474.db2.gz CIIYIVZVCWURPF-CMPLNLGQSA-N 1 2 298.270 1.154 10 5 CDBELO C[C@]12COC[C@H]1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595755799 343142135 /nfs/dbraw/zinc/14/21/35/343142135.db2.gz CVEBVGHQDGVPOF-RISCZKNCSA-N 1 2 278.308 1.769 10 5 CDBELO C[C@]12COC[C@H]1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595755799 343142138 /nfs/dbraw/zinc/14/21/38/343142138.db2.gz CVEBVGHQDGVPOF-RISCZKNCSA-N 1 2 278.308 1.769 10 5 CDBELO CN1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCC1=O ZINC000597214401 343482366 /nfs/dbraw/zinc/48/23/66/343482366.db2.gz PVHSABKJBPXORD-GQCTYLIASA-N 1 2 289.335 1.772 10 5 CDBELO CN1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCC1=O ZINC000597214401 343482369 /nfs/dbraw/zinc/48/23/69/343482369.db2.gz PVHSABKJBPXORD-GQCTYLIASA-N 1 2 289.335 1.772 10 5 CDBELO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436996783 362250370 /nfs/dbraw/zinc/25/03/70/362250370.db2.gz HAOJZTPAMSKYEO-SNVBAGLBSA-N 1 2 295.339 1.761 10 5 CDBELO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000314654720 345729321 /nfs/dbraw/zinc/72/93/21/345729321.db2.gz AAHNQUKPBHWDNJ-CABZTGNLSA-N 1 2 293.323 1.465 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000516059537 363000582 /nfs/dbraw/zinc/00/05/82/363000582.db2.gz KDVNVUIMIWKVFN-MRVPVSSYSA-N 1 2 265.269 1.239 10 5 CDBELO O=C(NCC[NH+]1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236560854 363245540 /nfs/dbraw/zinc/24/55/40/363245540.db2.gz LROGEMUMQMIZJE-UHFFFAOYSA-N 1 2 279.296 1.126 10 5 CDBELO C[C@H](C[NH+]1CCOCC1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052120400 363255849 /nfs/dbraw/zinc/25/58/49/363255849.db2.gz JTQSOIDXJRVIAS-SNVBAGLBSA-N 1 2 283.303 1.867 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134223233 358969161 /nfs/dbraw/zinc/96/91/61/358969161.db2.gz ZYQJBUTVBFQXLI-SNVBAGLBSA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134223233 358969164 /nfs/dbraw/zinc/96/91/64/358969164.db2.gz ZYQJBUTVBFQXLI-SNVBAGLBSA-N 1 2 269.276 1.476 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c(F)c1 ZINC000449479219 374815007 /nfs/dbraw/zinc/81/50/07/374815007.db2.gz ZJVXKKDAVOTIRL-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(F)c1 ZINC000449479219 374815026 /nfs/dbraw/zinc/81/50/26/374815026.db2.gz ZJVXKKDAVOTIRL-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO Cn1c[nH+]cc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000357604429 375920114 /nfs/dbraw/zinc/92/01/14/375920114.db2.gz LPRAFPDLFCELDR-UHFFFAOYSA-N 1 2 283.291 1.911 10 5 CDBELO CC[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000347638129 376646773 /nfs/dbraw/zinc/64/67/73/376646773.db2.gz MXSJSEKRHAXATR-LLVKDONJSA-N 1 2 291.311 1.258 10 5 CDBELO COC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330590113 284774240 /nfs/dbraw/zinc/77/42/40/284774240.db2.gz XWKJQVZOQLGSEY-UHFFFAOYSA-N 1 2 266.297 1.911 10 5 CDBELO COc1cc(C[NH+]2CC(CCO)C2)c([N+](=O)[O-])cc1OC ZINC000459590475 392480053 /nfs/dbraw/zinc/48/00/53/392480053.db2.gz JYROFXNAKCYKCG-UHFFFAOYSA-N 1 2 296.323 1.426 10 5 CDBELO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000390001515 393127528 /nfs/dbraw/zinc/12/75/28/393127528.db2.gz PXIMDTYHQZVTTG-SNVBAGLBSA-N 1 2 279.296 1.124 10 5 CDBELO CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000390001515 393127534 /nfs/dbraw/zinc/12/75/34/393127534.db2.gz PXIMDTYHQZVTTG-SNVBAGLBSA-N 1 2 279.296 1.124 10 5 CDBELO CCOC(=O)[C@H]([NH3+])CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000044360245 175167311 /nfs/dbraw/zinc/16/73/11/175167311.db2.gz NZXKKOYWRRLYSQ-SNVBAGLBSA-N 1 2 266.253 1.058 10 5 CDBELO COc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000565725277 293670409 /nfs/dbraw/zinc/67/04/09/293670409.db2.gz OJKDJCSNDGKARH-UHFFFAOYSA-N 1 2 293.323 1.884 10 5 CDBELO CC(C)NC(=O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817048 519705871 /nfs/dbraw/zinc/70/58/71/519705871.db2.gz VRWZHYRGEMBUJG-UHFFFAOYSA-N 1 2 280.328 1.133 10 5 CDBELO CC(C)NC(=O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817048 519705873 /nfs/dbraw/zinc/70/58/73/519705873.db2.gz VRWZHYRGEMBUJG-UHFFFAOYSA-N 1 2 280.328 1.133 10 5 CDBELO C[NH2+][C@@H](CCSc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000062596646 522351407 /nfs/dbraw/zinc/35/14/07/522351407.db2.gz CXEQDAWNKYUFNV-NSHDSACASA-N 1 2 284.337 1.838 10 5 CDBELO COC(=O)[C@H]1CCC[N@@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727254 523953787 /nfs/dbraw/zinc/95/37/87/523953787.db2.gz OFAPMWNVRYXLOV-CYBMUJFWSA-N 1 2 278.308 1.775 10 5 CDBELO COC(=O)[C@H]1CCC[N@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727254 523953788 /nfs/dbraw/zinc/95/37/88/523953788.db2.gz OFAPMWNVRYXLOV-CYBMUJFWSA-N 1 2 278.308 1.775 10 5 CDBELO COC(=O)[C@](C)([NH3+])COc1cc([N+](=O)[O-])ccc1Cl ZINC000069508044 524000961 /nfs/dbraw/zinc/00/09/61/524000961.db2.gz QNBQPXWKOZRXIX-LLVKDONJSA-N 1 2 288.687 1.517 10 5 CDBELO O=[N+]([O-])c1c(Cl)ncnc1NCCn1cc[nH+]c1 ZINC000050455359 527319926 /nfs/dbraw/zinc/31/99/26/527319926.db2.gz ZSOMCBMFLQSSPU-UHFFFAOYSA-N 1 2 268.664 1.347 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000339207337 527371694 /nfs/dbraw/zinc/37/16/94/527371694.db2.gz MYAGCKFWHPNJSY-LBPRGKRZSA-N 1 2 288.307 1.944 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000339207337 527371696 /nfs/dbraw/zinc/37/16/96/527371696.db2.gz MYAGCKFWHPNJSY-LBPRGKRZSA-N 1 2 288.307 1.944 10 5 CDBELO Cc1ccc(COC(=O)c2nn(C)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000772237848 575674756 /nfs/dbraw/zinc/67/47/56/575674756.db2.gz ZKJQPIZMKKPCBZ-UHFFFAOYSA-N 1 2 290.279 1.697 10 5 CDBELO CC(C)(CCC(=O)N[C@H]1CCn2c[nH+]cc21)[N+](=O)[O-] ZINC000857976860 693951614 /nfs/dbraw/zinc/95/16/14/693951614.db2.gz NKNAHCVZHDXXMZ-VIFPVBQESA-N 1 2 266.301 1.280 10 5 CDBELO Cn1c[nH+]c(CCNc2cc(N)ccc2[N+](=O)[O-])c1 ZINC000840326258 688373587 /nfs/dbraw/zinc/37/35/87/688373587.db2.gz BTKAOLGDSACNAT-UHFFFAOYSA-N 1 2 261.285 1.565 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857990503 688495745 /nfs/dbraw/zinc/49/57/45/688495745.db2.gz XJBQKYKIXWDGQC-NSHDSACASA-N 1 2 287.279 1.370 10 5 CDBELO CC(C)OC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000854159710 692761485 /nfs/dbraw/zinc/76/14/85/692761485.db2.gz HTDPPLQICVRTTB-ZETCQYMHSA-N 1 2 282.256 1.663 10 5 CDBELO Cc1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1[N+](=O)[O-] ZINC000857989793 693151382 /nfs/dbraw/zinc/15/13/82/693151382.db2.gz KVLHZTLOKISHBV-LLVKDONJSA-N 1 2 286.291 1.975 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982796 694640675 /nfs/dbraw/zinc/64/06/75/694640675.db2.gz SFTWAEHQXKHUHZ-SNVBAGLBSA-N 1 2 286.291 1.975 10 5 CDBELO CCNc1ccc(Nc2nn(C)cc2[N+](=O)[O-])c[nH+]1 ZINC001652336946 1171428091 /nfs/dbraw/zinc/42/80/91/1171428091.db2.gz PPIBEKGODICCEO-UHFFFAOYSA-N 1 2 262.273 1.899 10 5 CDBELO Cc1cnc(OCc2ccc[nH+]c2N)c([N+](=O)[O-])c1 ZINC001559378555 960750597 /nfs/dbraw/zinc/75/05/97/960750597.db2.gz HFGRKSVWODKQBS-UHFFFAOYSA-N 1 2 260.253 1.854 10 5 CDBELO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)n1cc[nH+]c1 ZINC001470568553 970345195 /nfs/dbraw/zinc/34/51/95/970345195.db2.gz VIKRADNIRQNTHD-UHFFFAOYSA-N 1 2 277.284 1.285 10 5 CDBELO Cc1nocc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654503057 1171616087 /nfs/dbraw/zinc/61/60/87/1171616087.db2.gz HFOAOAKLNRICKU-AWEZNQCLSA-N 1 2 291.307 1.889 10 5 CDBELO CC(=O)NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092669126 342567788 /nfs/dbraw/zinc/56/77/88/342567788.db2.gz CTYZJWGCKAYFLB-UHFFFAOYSA-N 1 2 293.323 1.401 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595434259 343059942 /nfs/dbraw/zinc/05/99/42/343059942.db2.gz ZIXGEIJKHICOGC-AWEZNQCLSA-N 1 2 295.314 1.964 10 5 CDBELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595434259 343059944 /nfs/dbraw/zinc/05/99/44/343059944.db2.gz ZIXGEIJKHICOGC-AWEZNQCLSA-N 1 2 295.314 1.964 10 5 CDBELO COc1ccc(C[NH2+]Cc2cnn[nH]2)cc1[N+](=O)[O-] ZINC000598984113 343940344 /nfs/dbraw/zinc/94/03/44/343940344.db2.gz HCFXPGJMAWFRJY-UHFFFAOYSA-N 1 2 263.257 1.011 10 5 CDBELO C[NH+]1CCN(CCCCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000609797081 346000765 /nfs/dbraw/zinc/00/07/65/346000765.db2.gz ALPBZWNSFVOFRP-UHFFFAOYSA-N 1 2 293.371 1.429 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185210377 357522400 /nfs/dbraw/zinc/52/24/00/357522400.db2.gz NVQZGQQXTUFVQV-AWEZNQCLSA-N 1 2 278.308 1.586 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185210377 357522404 /nfs/dbraw/zinc/52/24/04/357522404.db2.gz NVQZGQQXTUFVQV-AWEZNQCLSA-N 1 2 278.308 1.586 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](C2CC2)CC1 ZINC000299348633 359105443 /nfs/dbraw/zinc/10/54/43/359105443.db2.gz MAGVTCNDVVUGLC-UHFFFAOYSA-N 1 2 265.269 1.108 10 5 CDBELO [NH3+][C@H](CC(F)F)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000575121462 360840371 /nfs/dbraw/zinc/84/03/71/360840371.db2.gz RGWODDPHAVIKPN-ZCFIWIBFSA-N 1 2 275.211 1.221 10 5 CDBELO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000217316034 373620491 /nfs/dbraw/zinc/62/04/91/373620491.db2.gz VUAHSRWFBMHRAZ-JTQLQIEISA-N 1 2 293.323 1.515 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000449467759 374813198 /nfs/dbraw/zinc/81/31/98/374813198.db2.gz JSGJYSSEIDLBOA-GFCCVEGCSA-N 1 2 288.250 1.502 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000449467759 374813200 /nfs/dbraw/zinc/81/32/00/374813200.db2.gz JSGJYSSEIDLBOA-GFCCVEGCSA-N 1 2 288.250 1.502 10 5 CDBELO CC[NH+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000281295416 195186078 /nfs/dbraw/zinc/18/60/78/195186078.db2.gz YGXSIEJOKMNKCC-UHFFFAOYSA-N 1 2 279.296 1.078 10 5 CDBELO CC(C)(C(=O)NCc1ccccc1[N+](=O)[O-])c1c[nH]c[nH+]1 ZINC000346231191 153106547 /nfs/dbraw/zinc/10/65/47/153106547.db2.gz XLWKNRFLSCGKFT-UHFFFAOYSA-N 1 2 288.307 1.912 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338367005 287153158 /nfs/dbraw/zinc/15/31/58/287153158.db2.gz NIQUPOXGQILVCA-SDDRHHMPSA-N 1 2 278.308 1.755 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338367005 287153159 /nfs/dbraw/zinc/15/31/59/287153159.db2.gz NIQUPOXGQILVCA-SDDRHHMPSA-N 1 2 278.308 1.755 10 5 CDBELO CCC[N@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816816 521545209 /nfs/dbraw/zinc/54/52/09/521545209.db2.gz DSHCPHLYYVRGCU-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO CCC[N@@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816816 521545216 /nfs/dbraw/zinc/54/52/16/521545216.db2.gz DSHCPHLYYVRGCU-UHFFFAOYSA-N 1 2 294.355 1.595 10 5 CDBELO C[NH2+][C@](C)(C[C@H](C)Oc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000068650980 522524900 /nfs/dbraw/zinc/52/49/00/522524900.db2.gz SFOQXYKQHNAKRL-IINYFYTJSA-N 1 2 296.323 1.903 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)NC(C)C ZINC000050817061 522644339 /nfs/dbraw/zinc/64/43/39/522644339.db2.gz YYOHXJVYOOGNOS-UHFFFAOYSA-N 1 2 294.355 1.593 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)NC(C)C ZINC000050817061 522644343 /nfs/dbraw/zinc/64/43/43/522644343.db2.gz YYOHXJVYOOGNOS-UHFFFAOYSA-N 1 2 294.355 1.593 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1N ZINC000052840979 524794570 /nfs/dbraw/zinc/79/45/70/524794570.db2.gz HMILHYGLFDXURX-SECBINFHSA-N 1 2 261.285 1.874 10 5 CDBELO C[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2N)C[C@@H](C)O1 ZINC000050792377 524987190 /nfs/dbraw/zinc/98/71/90/524987190.db2.gz YCDBEOOHYGOHOS-NXEZZACHSA-N 1 2 265.313 1.786 10 5 CDBELO Nc1cc([N+](=O)[O-])ccc1NCCCn1cc[nH+]c1 ZINC000052840265 527460585 /nfs/dbraw/zinc/46/05/85/527460585.db2.gz QOAAHGWWRSSXGV-UHFFFAOYSA-N 1 2 261.285 1.876 10 5 CDBELO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000712300167 695774232 /nfs/dbraw/zinc/77/42/32/695774232.db2.gz ROSAOGDZZOTWSC-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000712300167 695774241 /nfs/dbraw/zinc/77/42/41/695774241.db2.gz ROSAOGDZZOTWSC-VIFPVBQESA-N 1 2 279.296 1.124 10 5 CDBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000859905511 696121400 /nfs/dbraw/zinc/12/14/00/696121400.db2.gz KWLRCGCOGAFRIV-UONOGXRCSA-N 1 2 298.314 1.689 10 5 CDBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000859905511 696121403 /nfs/dbraw/zinc/12/14/03/696121403.db2.gz KWLRCGCOGAFRIV-UONOGXRCSA-N 1 2 298.314 1.689 10 5 CDBELO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019555 696212123 /nfs/dbraw/zinc/21/21/23/696212123.db2.gz ZVJJXPIQZQPRFP-BDAKNGLRSA-N 1 2 283.303 1.909 10 5 CDBELO O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001638119441 1166820907 /nfs/dbraw/zinc/82/09/07/1166820907.db2.gz WBLLPXSOHNMVGL-UHFFFAOYSA-N 1 2 298.262 1.756 10 5 CDBELO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](CCF)C2)c(F)c1 ZINC000865927883 723843235 /nfs/dbraw/zinc/84/32/35/723843235.db2.gz JUGJJSPBVBHBLM-VIFPVBQESA-N 1 2 286.282 1.975 10 5 CDBELO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](CCF)C2)c(F)c1 ZINC000865927883 723843236 /nfs/dbraw/zinc/84/32/36/723843236.db2.gz JUGJJSPBVBHBLM-VIFPVBQESA-N 1 2 286.282 1.975 10 5 CDBELO CC(C)(CCC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N+](=O)[O-] ZINC001138458494 936537589 /nfs/dbraw/zinc/53/75/89/936537589.db2.gz WWMFELVBLKIBHJ-SNVBAGLBSA-N 1 2 280.328 1.150 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)n1 ZINC001184720737 919243204 /nfs/dbraw/zinc/24/32/04/919243204.db2.gz WYSFQWBYSXDPHU-UHFFFAOYSA-N 1 2 286.295 1.631 10 5 CDBELO CN(CC[NH2+]C/C(Cl)=C/Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493545628 972079866 /nfs/dbraw/zinc/07/98/66/972079866.db2.gz OUPOJWAKPQMBQN-XOPPAYCJSA-N 1 2 296.154 1.019 10 5 CDBELO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(C)[nH+]cc1C ZINC001527661299 968717644 /nfs/dbraw/zinc/71/76/44/968717644.db2.gz CYAUHCZNKUQOLM-UHFFFAOYSA-N 1 2 289.295 1.172 10 5 CDBELO Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)c(N)c1[N+](=O)[O-] ZINC001472227149 970598957 /nfs/dbraw/zinc/59/89/57/970598957.db2.gz FVWBQXPFBSTXJF-UHFFFAOYSA-N 1 2 275.268 1.390 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590371478 342538578 /nfs/dbraw/zinc/53/85/78/342538578.db2.gz XJLVFFMLEGJQAY-LLVKDONJSA-N 1 2 294.307 1.587 10 5 CDBELO COC[C@H]1CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590371478 342538579 /nfs/dbraw/zinc/53/85/79/342538579.db2.gz XJLVFFMLEGJQAY-LLVKDONJSA-N 1 2 294.307 1.587 10 5 CDBELO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000123331798 342271005 /nfs/dbraw/zinc/27/10/05/342271005.db2.gz JVVQHDWRZITXFV-MFKMUULPSA-N 1 2 294.307 1.357 10 5 CDBELO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000123331798 342271006 /nfs/dbraw/zinc/27/10/06/342271006.db2.gz JVVQHDWRZITXFV-MFKMUULPSA-N 1 2 294.307 1.357 10 5 CDBELO CO[C@@]1(CO)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595660284 343119600 /nfs/dbraw/zinc/11/96/00/343119600.db2.gz DBRFRSXFOMXTGM-AWEZNQCLSA-N 1 2 298.314 1.707 10 5 CDBELO CO[C@@]1(CO)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595660284 343119601 /nfs/dbraw/zinc/11/96/01/343119601.db2.gz DBRFRSXFOMXTGM-AWEZNQCLSA-N 1 2 298.314 1.707 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826433 343166919 /nfs/dbraw/zinc/16/69/19/343166919.db2.gz BPHXDYGXDPYGLK-JQWIXIFHSA-N 1 2 278.308 1.769 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826433 343166921 /nfs/dbraw/zinc/16/69/21/343166921.db2.gz BPHXDYGXDPYGLK-JQWIXIFHSA-N 1 2 278.308 1.769 10 5 CDBELO C[NH+](C)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274692800 365769085 /nfs/dbraw/zinc/76/90/85/365769085.db2.gz QTDUIDHQOMUUOP-UHFFFAOYSA-N 1 2 281.312 1.372 10 5 CDBELO C[C@@H](CCNC(=O)c1cccc(O)c1[N+](=O)[O-])[NH+](C)C ZINC000597991357 343681787 /nfs/dbraw/zinc/68/17/87/343681787.db2.gz FECQYBZKMIDRLV-VIFPVBQESA-N 1 2 281.312 1.370 10 5 CDBELO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000314654726 344913747 /nfs/dbraw/zinc/91/37/47/344913747.db2.gz AAHNQUKPBHWDNJ-SKDRFNHKSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C[NH+](C)C ZINC000293711319 362933587 /nfs/dbraw/zinc/93/35/87/362933587.db2.gz JEGUTKJOKYTDHF-VIFPVBQESA-N 1 2 281.312 1.228 10 5 CDBELO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233451556 356337939 /nfs/dbraw/zinc/33/79/39/356337939.db2.gz UKOWZGCRCXFQND-JTQLQIEISA-N 1 2 295.339 1.761 10 5 CDBELO C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000048561788 356601090 /nfs/dbraw/zinc/60/10/90/356601090.db2.gz VUKCKLGTVJCSQI-SNVBAGLBSA-N 1 2 274.280 1.669 10 5 CDBELO C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000566194251 357432581 /nfs/dbraw/zinc/43/25/81/357432581.db2.gz ZFFOVKKBKYNODI-RQJHMYQMSA-N 1 2 253.258 1.222 10 5 CDBELO C[N@@H+]1CCO[C@H](CSCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000569926465 359270940 /nfs/dbraw/zinc/27/09/40/359270940.db2.gz HZDZEMHNXROKLS-LBPRGKRZSA-N 1 2 298.364 1.864 10 5 CDBELO C[N@H+]1CCO[C@H](CSCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000569926465 359270944 /nfs/dbraw/zinc/27/09/44/359270944.db2.gz HZDZEMHNXROKLS-LBPRGKRZSA-N 1 2 298.364 1.864 10 5 CDBELO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000270587423 366908011 /nfs/dbraw/zinc/90/80/11/366908011.db2.gz AZPPICBTCAMERQ-SECBINFHSA-N 1 2 298.730 1.491 10 5 CDBELO NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000270587423 366908014 /nfs/dbraw/zinc/90/80/14/366908014.db2.gz AZPPICBTCAMERQ-SECBINFHSA-N 1 2 298.730 1.491 10 5 CDBELO COC(=O)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000090514074 367469093 /nfs/dbraw/zinc/46/90/93/367469093.db2.gz RLFQWAMLYXPZKK-UHFFFAOYSA-N 1 2 275.264 1.555 10 5 CDBELO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449420708 374807459 /nfs/dbraw/zinc/80/74/59/374807459.db2.gz KBZTZCWXTCOTGQ-MFKMUULPSA-N 1 2 280.324 1.893 10 5 CDBELO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449420708 374807464 /nfs/dbraw/zinc/80/74/64/374807464.db2.gz KBZTZCWXTCOTGQ-MFKMUULPSA-N 1 2 280.324 1.893 10 5 CDBELO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000330446696 374856253 /nfs/dbraw/zinc/85/62/53/374856253.db2.gz FMACSJUILOREAF-RNCFNFMXSA-N 1 2 266.297 1.503 10 5 CDBELO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000330446696 374856264 /nfs/dbraw/zinc/85/62/64/374856264.db2.gz FMACSJUILOREAF-RNCFNFMXSA-N 1 2 266.297 1.503 10 5 CDBELO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000132548897 375522320 /nfs/dbraw/zinc/52/23/20/375522320.db2.gz BZHGAIAANFMEBD-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000132548897 375522326 /nfs/dbraw/zinc/52/23/26/375522326.db2.gz BZHGAIAANFMEBD-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO CC[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000347638130 376647168 /nfs/dbraw/zinc/64/71/68/376647168.db2.gz MXSJSEKRHAXATR-NSHDSACASA-N 1 2 291.311 1.258 10 5 CDBELO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000339137530 390684602 /nfs/dbraw/zinc/68/46/02/390684602.db2.gz UFYQSODIPGDPTK-GFCCVEGCSA-N 1 2 296.323 1.538 10 5 CDBELO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000339137530 390684606 /nfs/dbraw/zinc/68/46/06/390684606.db2.gz UFYQSODIPGDPTK-GFCCVEGCSA-N 1 2 296.323 1.538 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000457885246 391656191 /nfs/dbraw/zinc/65/61/91/391656191.db2.gz PXPCBFQUAZTHOL-UHFFFAOYSA-N 1 2 280.309 1.362 10 5 CDBELO Cc1c(C(=O)NCCc2cn(C)c[nH+]2)cccc1[N+](=O)[O-] ZINC000457893060 391661102 /nfs/dbraw/zinc/66/11/02/391661102.db2.gz YGBZBODGPHOSSD-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO CN(C)c1ncnc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040608628 174353718 /nfs/dbraw/zinc/35/37/18/174353718.db2.gz SVECSRNSGCDJKL-UHFFFAOYSA-N 1 2 291.315 1.150 10 5 CDBELO CN(C)Nc1[nH+]cnc(Nc2cccnc2)c1[N+](=O)[O-] ZINC000040628215 174356959 /nfs/dbraw/zinc/35/69/59/174356959.db2.gz UOOVCRBJNOKBFP-UHFFFAOYSA-N 1 2 275.272 1.412 10 5 CDBELO CN(C)Nc1[nH+]cnc(-n2cnc3ccccc32)c1[N+](=O)[O-] ZINC000040629060 174357385 /nfs/dbraw/zinc/35/73/85/174357385.db2.gz HVXREBSTZXLMAV-UHFFFAOYSA-N 1 2 299.294 1.612 10 5 CDBELO O=C(NCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000070991643 176020342 /nfs/dbraw/zinc/02/03/42/176020342.db2.gz UYIUBMSQTINAIK-UHFFFAOYSA-N 1 2 264.216 1.387 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000274176518 280364915 /nfs/dbraw/zinc/36/49/15/280364915.db2.gz NVLDFLKJMCPZRK-MNOVXSKESA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000274176518 280364918 /nfs/dbraw/zinc/36/49/18/280364918.db2.gz NVLDFLKJMCPZRK-MNOVXSKESA-N 1 2 286.715 1.176 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338380763 290251453 /nfs/dbraw/zinc/25/14/53/290251453.db2.gz WCIJUSXIDJTWSR-HONMWMINSA-N 1 2 278.308 1.755 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338380763 290251457 /nfs/dbraw/zinc/25/14/57/290251457.db2.gz WCIJUSXIDJTWSR-HONMWMINSA-N 1 2 278.308 1.755 10 5 CDBELO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339076681 293155109 /nfs/dbraw/zinc/15/51/09/293155109.db2.gz ZEEPSBAHEBWLIP-LBPRGKRZSA-N 1 2 266.297 1.815 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](C2CC2)CC1 ZINC000576058884 317067518 /nfs/dbraw/zinc/06/75/18/317067518.db2.gz HEBCDKVPZLMZIO-UHFFFAOYSA-N 1 2 277.324 1.580 10 5 CDBELO C[N@H+](CC(=O)N1CCCC1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815328 522432461 /nfs/dbraw/zinc/43/24/61/522432461.db2.gz QNGMSGCWFXKMQN-UHFFFAOYSA-N 1 2 292.339 1.231 10 5 CDBELO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815328 522432465 /nfs/dbraw/zinc/43/24/65/522432465.db2.gz QNGMSGCWFXKMQN-UHFFFAOYSA-N 1 2 292.339 1.231 10 5 CDBELO Cc1ccc(OCc2ccc(N)[nH+]c2)c([N+](=O)[O-])n1 ZINC000050833329 525445358 /nfs/dbraw/zinc/44/53/58/525445358.db2.gz JAKNOLTWUXYZES-UHFFFAOYSA-N 1 2 260.253 1.854 10 5 CDBELO O=C(OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cn1 ZINC000772001905 575648103 /nfs/dbraw/zinc/64/81/03/575648103.db2.gz HSVCCIUUOPOGKS-UHFFFAOYSA-N 1 2 262.225 1.043 10 5 CDBELO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000761097116 576547834 /nfs/dbraw/zinc/54/78/34/576547834.db2.gz SINMMFNSYAELAI-JOYOIKCWSA-N 1 2 291.307 1.636 10 5 CDBELO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000761097116 576547836 /nfs/dbraw/zinc/54/78/36/576547836.db2.gz SINMMFNSYAELAI-JOYOIKCWSA-N 1 2 291.307 1.636 10 5 CDBELO CC(C)c1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]1 ZINC001639428201 1166935926 /nfs/dbraw/zinc/93/59/26/1166935926.db2.gz WVLSRQPSORPWRU-UHFFFAOYSA-N 1 2 277.284 1.699 10 5 CDBELO CC(C)c1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c[nH+]1 ZINC001639428201 1166935931 /nfs/dbraw/zinc/93/59/31/1166935931.db2.gz WVLSRQPSORPWRU-UHFFFAOYSA-N 1 2 277.284 1.699 10 5 CDBELO CC(C)(CCC(=O)N1CCn2c[nH+]cc2C1)[N+](=O)[O-] ZINC001641997265 1167149948 /nfs/dbraw/zinc/14/99/48/1167149948.db2.gz LAIUJHUDYJUJTN-UHFFFAOYSA-N 1 2 266.301 1.061 10 5 CDBELO CN(Cc1ccc(N)[nH+]c1)c1ncc([N+](=O)[O-])cc1F ZINC001650942649 1171271191 /nfs/dbraw/zinc/27/11/91/1171271191.db2.gz LORBONNFHHQEPT-UHFFFAOYSA-N 1 2 277.259 1.743 10 5 CDBELO CC(C)NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017481 726086793 /nfs/dbraw/zinc/08/67/93/726086793.db2.gz AKLYEKLKBSHVIP-VIFPVBQESA-N 1 2 283.303 1.909 10 5 CDBELO CC(C)(CCc1noc(Cn2cc[nH+]c2)n1)[N+](=O)[O-] ZINC000812814408 727804402 /nfs/dbraw/zinc/80/44/02/727804402.db2.gz WUJBRCNZYOFRDE-UHFFFAOYSA-N 1 2 265.273 1.302 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149163840 936843228 /nfs/dbraw/zinc/84/32/28/936843228.db2.gz LEARETQDTQZYCH-YFKPBYRVSA-N 1 2 296.674 1.043 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001141367250 936857758 /nfs/dbraw/zinc/85/77/58/936857758.db2.gz UANJRZHNZFMDSN-UHFFFAOYSA-N 1 2 272.264 1.450 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC001544892498 967391147 /nfs/dbraw/zinc/39/11/47/967391147.db2.gz UFPOBGWXLHGZGV-UHFFFAOYSA-N 1 2 260.253 1.177 10 5 CDBELO CCN(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533803332 282151306 /nfs/dbraw/zinc/15/13/06/282151306.db2.gz SBRLKQMKKMGPPF-UHFFFAOYSA-N 1 2 277.324 1.431 10 5 CDBELO CCN(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533803332 282151309 /nfs/dbraw/zinc/15/13/09/282151309.db2.gz SBRLKQMKKMGPPF-UHFFFAOYSA-N 1 2 277.324 1.431 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000593922079 342851938 /nfs/dbraw/zinc/85/19/38/342851938.db2.gz AKYSPALMJPNKJN-GHMZBOCLSA-N 1 2 291.307 1.770 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ccncc1[N+](=O)[O-])CC2 ZINC000611764327 346873737 /nfs/dbraw/zinc/87/37/37/346873737.db2.gz VIYXSQMDATTXER-UHFFFAOYSA-N 1 2 259.269 1.515 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])cn1C)CC2 ZINC000611847489 346892998 /nfs/dbraw/zinc/89/29/98/346892998.db2.gz RZYUPWLQQICWFF-UHFFFAOYSA-N 1 2 289.295 1.094 10 5 CDBELO Cc1ccc(CCNc2ccncc2[N+](=O)[O-])c[nH+]1 ZINC000609517071 345592326 /nfs/dbraw/zinc/59/23/26/345592326.db2.gz JHUAMJVJPWLZRB-UHFFFAOYSA-N 1 2 258.281 1.770 10 5 CDBELO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2[nH+]ccn2c1 ZINC000609620175 345979796 /nfs/dbraw/zinc/97/97/96/345979796.db2.gz SIJWAPFNMWEMBQ-UHFFFAOYSA-N 1 2 286.251 1.078 10 5 CDBELO CCn1cc[nH+]c1[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000450835681 359013034 /nfs/dbraw/zinc/01/30/34/359013034.db2.gz XMVZZMDOKUBDKA-SECBINFHSA-N 1 2 261.285 1.801 10 5 CDBELO Cn1cc[nH+]c1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112534955 360539209 /nfs/dbraw/zinc/53/92/09/360539209.db2.gz BLKKDOWORRBWLM-UHFFFAOYSA-N 1 2 299.290 1.740 10 5 CDBELO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339126672 291237593 /nfs/dbraw/zinc/23/75/93/291237593.db2.gz SWHBFKIPEANMPR-RNCFNFMXSA-N 1 2 266.297 1.958 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290853940 391501487 /nfs/dbraw/zinc/50/14/87/391501487.db2.gz AWZRXRNOQJZTTJ-UHFFFAOYSA-N 1 2 286.291 1.756 10 5 CDBELO CC(=O)N[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000420988340 392924432 /nfs/dbraw/zinc/92/44/32/392924432.db2.gz QCNQMZRBJIRLQM-JTQLQIEISA-N 1 2 269.326 1.367 10 5 CDBELO CC(=O)N[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000420988340 392924435 /nfs/dbraw/zinc/92/44/35/392924435.db2.gz QCNQMZRBJIRLQM-JTQLQIEISA-N 1 2 269.326 1.367 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346445959 153191929 /nfs/dbraw/zinc/19/19/29/153191929.db2.gz DTXNKMCPLRVOSO-SMDDNHRTSA-N 1 2 289.335 1.962 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346445959 153191931 /nfs/dbraw/zinc/19/19/31/153191931.db2.gz DTXNKMCPLRVOSO-SMDDNHRTSA-N 1 2 289.335 1.962 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[NH+]3CCN2CC3)n1 ZINC000359104917 158128711 /nfs/dbraw/zinc/12/87/11/158128711.db2.gz VXAUPUJIEJHLHM-GFCCVEGCSA-N 1 2 291.355 1.018 10 5 CDBELO C[N@H+](CCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285434452 196283405 /nfs/dbraw/zinc/28/34/05/196283405.db2.gz WTEJCXCDHNPGBN-UHFFFAOYSA-N 1 2 260.240 1.687 10 5 CDBELO C[N@@H+](CCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285434452 196283406 /nfs/dbraw/zinc/28/34/06/196283406.db2.gz WTEJCXCDHNPGBN-UHFFFAOYSA-N 1 2 260.240 1.687 10 5 CDBELO O=[N+]([O-])c1c(Oc2cccnc2)ncnc1-n1cc[nH+]c1 ZINC000040660468 174366039 /nfs/dbraw/zinc/36/60/39/174366039.db2.gz FFGBUDAFXKDZPH-UHFFFAOYSA-N 1 2 284.235 1.758 10 5 CDBELO Cn1nccc1C[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000071333609 176126631 /nfs/dbraw/zinc/12/66/31/176126631.db2.gz VXXLVVYUNVNHKT-UHFFFAOYSA-N 1 2 282.250 1.896 10 5 CDBELO C[NH2+][C@H](CCOc1cccc(C)c1[N+](=O)[O-])C(=O)OC ZINC000062540757 522464665 /nfs/dbraw/zinc/46/46/65/522464665.db2.gz XULNAQXAHXIWCB-SNVBAGLBSA-N 1 2 282.296 1.433 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1C ZINC000050813623 522647050 /nfs/dbraw/zinc/64/70/50/522647050.db2.gz VTZMRWCKZFRRFR-SNVBAGLBSA-N 1 2 265.313 1.857 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1C ZINC000050813623 522647059 /nfs/dbraw/zinc/64/70/59/522647059.db2.gz VTZMRWCKZFRRFR-SNVBAGLBSA-N 1 2 265.313 1.857 10 5 CDBELO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233473978 535567426 /nfs/dbraw/zinc/56/74/26/535567426.db2.gz DSFGVXPVQFWNDF-SNVBAGLBSA-N 1 2 293.323 1.515 10 5 CDBELO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233473978 535567428 /nfs/dbraw/zinc/56/74/28/535567428.db2.gz DSFGVXPVQFWNDF-SNVBAGLBSA-N 1 2 293.323 1.515 10 5 CDBELO C[C@H]1C[N@H+](CC[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000931617281 728826909 /nfs/dbraw/zinc/82/69/09/728826909.db2.gz ZEJKCXUCZBPINW-YUMQZZPRSA-N 1 2 256.224 1.305 10 5 CDBELO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000931617281 728826912 /nfs/dbraw/zinc/82/69/12/728826912.db2.gz ZEJKCXUCZBPINW-YUMQZZPRSA-N 1 2 256.224 1.305 10 5 CDBELO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000193883470 728875456 /nfs/dbraw/zinc/87/54/56/728875456.db2.gz HAEDVSGUEYXWSV-CYBMUJFWSA-N 1 2 295.314 1.834 10 5 CDBELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000193883470 728875457 /nfs/dbraw/zinc/87/54/57/728875457.db2.gz HAEDVSGUEYXWSV-CYBMUJFWSA-N 1 2 295.314 1.834 10 5 CDBELO CC(=O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000878670978 728451244 /nfs/dbraw/zinc/45/12/44/728451244.db2.gz VZLMEVUDCSYOEA-UHFFFAOYSA-N 1 2 266.301 1.129 10 5 CDBELO O=C(N[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC001459543830 969435516 /nfs/dbraw/zinc/43/55/16/969435516.db2.gz TVZSNSHYJRIFSR-CYBMUJFWSA-N 1 2 277.324 1.158 10 5 CDBELO O=C(N[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC001459543830 969435521 /nfs/dbraw/zinc/43/55/21/969435521.db2.gz TVZSNSHYJRIFSR-CYBMUJFWSA-N 1 2 277.324 1.158 10 5 CDBELO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000587045361 342473995 /nfs/dbraw/zinc/47/39/95/342473995.db2.gz NWLUWYOABFYGQK-NSHDSACASA-N 1 2 286.291 1.536 10 5 CDBELO C[N@@H+]1CCO[C@@H](CSc2cccnc2[N+](=O)[O-])C1 ZINC000591953482 342658134 /nfs/dbraw/zinc/65/81/34/342658134.db2.gz HVUKMMOQKAHSLW-SECBINFHSA-N 1 2 269.326 1.413 10 5 CDBELO C[N@H+]1CCO[C@@H](CSc2cccnc2[N+](=O)[O-])C1 ZINC000591953482 342658135 /nfs/dbraw/zinc/65/81/35/342658135.db2.gz HVUKMMOQKAHSLW-SECBINFHSA-N 1 2 269.326 1.413 10 5 CDBELO C[N@@H+]1CCO[C@H](CSc2cccnc2[N+](=O)[O-])C1 ZINC000591953483 342658228 /nfs/dbraw/zinc/65/82/28/342658228.db2.gz HVUKMMOQKAHSLW-VIFPVBQESA-N 1 2 269.326 1.413 10 5 CDBELO C[N@H+]1CCO[C@H](CSc2cccnc2[N+](=O)[O-])C1 ZINC000591953483 342658229 /nfs/dbraw/zinc/65/82/29/342658229.db2.gz HVUKMMOQKAHSLW-VIFPVBQESA-N 1 2 269.326 1.413 10 5 CDBELO CCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nn1 ZINC000594973579 342992512 /nfs/dbraw/zinc/99/25/12/342992512.db2.gz MXEDAUSJEGZGBP-UHFFFAOYSA-N 1 2 275.312 1.804 10 5 CDBELO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](C)O ZINC000093143289 342424114 /nfs/dbraw/zinc/42/41/14/342424114.db2.gz PLGZTRSCBUXVOD-SNVBAGLBSA-N 1 2 268.313 1.892 10 5 CDBELO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](C)O ZINC000093143289 342424115 /nfs/dbraw/zinc/42/41/15/342424115.db2.gz PLGZTRSCBUXVOD-SNVBAGLBSA-N 1 2 268.313 1.892 10 5 CDBELO CO[C@](C)(CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599100765 343954731 /nfs/dbraw/zinc/95/47/31/343954731.db2.gz NGAIOCTUDGQHRH-AWEZNQCLSA-N 1 2 291.307 1.952 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084194 343958283 /nfs/dbraw/zinc/95/82/83/343958283.db2.gz PVBLRFPTIVYKFL-MFKMUULPSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084194 343958284 /nfs/dbraw/zinc/95/82/84/343958284.db2.gz PVBLRFPTIVYKFL-MFKMUULPSA-N 1 2 293.323 1.232 10 5 CDBELO O=C1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000062100298 362996049 /nfs/dbraw/zinc/99/60/49/362996049.db2.gz RIHVCNIQUABHDA-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO O=C1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000062100298 362996050 /nfs/dbraw/zinc/99/60/50/362996050.db2.gz RIHVCNIQUABHDA-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000361580055 358336863 /nfs/dbraw/zinc/33/68/63/358336863.db2.gz VPXHHQFNVMBDPK-ZWNOBZJWSA-N 1 2 298.314 1.706 10 5 CDBELO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000361580055 358336864 /nfs/dbraw/zinc/33/68/64/358336864.db2.gz VPXHHQFNVMBDPK-ZWNOBZJWSA-N 1 2 298.314 1.706 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1csc([N+](=O)[O-])c1)CC2 ZINC000374665149 160305281 /nfs/dbraw/zinc/30/52/81/160305281.db2.gz RWTHKJLNSWHCJY-UHFFFAOYSA-N 1 2 292.320 1.817 10 5 CDBELO C[C@@H]1CCC[N@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037332554 173133671 /nfs/dbraw/zinc/13/36/71/173133671.db2.gz LZTDSKWNEPTZGN-SECBINFHSA-N 1 2 251.286 1.838 10 5 CDBELO C[C@@H]1CCC[N@@H+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000037332554 173133673 /nfs/dbraw/zinc/13/36/73/173133673.db2.gz LZTDSKWNEPTZGN-SECBINFHSA-N 1 2 251.286 1.838 10 5 CDBELO Cn1ccnc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000071140818 176039026 /nfs/dbraw/zinc/03/90/26/176039026.db2.gz BGBXHMXKKHFUPV-UHFFFAOYSA-N 1 2 252.299 1.680 10 5 CDBELO Cn1cc[nH+]c1CNCc1csc([N+](=O)[O-])c1 ZINC000071140818 176039027 /nfs/dbraw/zinc/03/90/27/176039027.db2.gz BGBXHMXKKHFUPV-UHFFFAOYSA-N 1 2 252.299 1.680 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NCCc2cn(C)c[nH+]2)n1 ZINC000313440689 270325012 /nfs/dbraw/zinc/32/50/12/270325012.db2.gz GIDOVWWDGFQMAB-UHFFFAOYSA-N 1 2 261.285 1.686 10 5 CDBELO CC1(C)COC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449625085 278356879 /nfs/dbraw/zinc/35/68/79/278356879.db2.gz QWQGRXPAHBPOKD-GFCCVEGCSA-N 1 2 266.297 1.815 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000339125375 304804367 /nfs/dbraw/zinc/80/43/67/304804367.db2.gz VAQDHNKCQUFZPV-MFKMUULPSA-N 1 2 280.324 1.941 10 5 CDBELO CC[NH2+][C@H](CCOc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000062539215 520192529 /nfs/dbraw/zinc/19/25/29/520192529.db2.gz VSDJUDSKGFVVDU-GFCCVEGCSA-N 1 2 282.296 1.515 10 5 CDBELO C[NH2+][C@H](CCOc1ccc([N+](=O)[O-])cc1F)C(=O)OC ZINC000062540897 522461208 /nfs/dbraw/zinc/46/12/08/522461208.db2.gz BCOGOHUEATWZON-SNVBAGLBSA-N 1 2 286.259 1.264 10 5 CDBELO C[NH2+][C@H](CCOc1ccc(C)cc1[N+](=O)[O-])C(=O)OC ZINC000062541845 522461323 /nfs/dbraw/zinc/46/13/23/522461323.db2.gz YJTHOXXSLLNMFB-SNVBAGLBSA-N 1 2 282.296 1.433 10 5 CDBELO O=C1OCC[C@H]1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754214430 576885458 /nfs/dbraw/zinc/88/54/58/576885458.db2.gz KHBYDUVGQLQUNB-SNVBAGLBSA-N 1 2 291.307 1.301 10 5 CDBELO O=C1OCC[C@H]1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754214430 576885459 /nfs/dbraw/zinc/88/54/59/576885459.db2.gz KHBYDUVGQLQUNB-SNVBAGLBSA-N 1 2 291.307 1.301 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccccc1[N+](=O)[O-] ZINC001642402825 1167172056 /nfs/dbraw/zinc/17/20/56/1167172056.db2.gz JDJQHGXGNDEWFI-JTQLQIEISA-N 1 2 272.264 1.666 10 5 CDBELO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC001655692238 1171715855 /nfs/dbraw/zinc/71/58/55/1171715855.db2.gz GOPWPBFDQOKAAO-LLVKDONJSA-N 1 2 296.327 1.286 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001595833444 1174218229 /nfs/dbraw/zinc/21/82/29/1174218229.db2.gz FOTMUBZUVUUWLB-SECBINFHSA-N 1 2 292.270 1.749 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791628390 731168984 /nfs/dbraw/zinc/16/89/84/731168984.db2.gz VCJHQUJYDVYXKF-UHFFFAOYSA-N 1 2 288.263 1.632 10 5 CDBELO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000802235538 731748028 /nfs/dbraw/zinc/74/80/28/731748028.db2.gz OMNTXUHBENBDDN-SNVBAGLBSA-N 1 2 282.271 1.795 10 5 CDBELO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000802235538 731748034 /nfs/dbraw/zinc/74/80/34/731748034.db2.gz OMNTXUHBENBDDN-SNVBAGLBSA-N 1 2 282.271 1.795 10 5 CDBELO C[N@@H+](Cc1cc[nH]n1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582270 731857925 /nfs/dbraw/zinc/85/79/25/731857925.db2.gz NTMQOUXMFZFRPQ-ZDUSSCGKSA-N 1 2 276.296 1.483 10 5 CDBELO C[N@H+](Cc1cc[nH]n1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582270 731857926 /nfs/dbraw/zinc/85/79/26/731857926.db2.gz NTMQOUXMFZFRPQ-ZDUSSCGKSA-N 1 2 276.296 1.483 10 5 CDBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]([NH3+])C(F)F ZINC000724705333 897204642 /nfs/dbraw/zinc/20/46/42/897204642.db2.gz YHOVXEGUEJYXMN-SECBINFHSA-N 1 2 287.266 1.536 10 5 CDBELO CCc1n[nH]c(C(=O)NCc2c[nH+]c(CC)[nH]2)c1[N+](=O)[O-] ZINC001178670459 915555375 /nfs/dbraw/zinc/55/53/75/915555375.db2.gz ZWQHQVLPKYLFNP-UHFFFAOYSA-N 1 2 292.299 1.096 10 5 CDBELO CCc1n[nH]c(C(=O)NCc2c[nH]c(CC)[nH+]2)c1[N+](=O)[O-] ZINC001178670459 915555391 /nfs/dbraw/zinc/55/53/91/915555391.db2.gz ZWQHQVLPKYLFNP-UHFFFAOYSA-N 1 2 292.299 1.096 10 5 CDBELO Nc1cc(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)cc[nH+]1 ZINC001166917808 939649399 /nfs/dbraw/zinc/64/93/99/939649399.db2.gz IAYUFHAQSVNVMK-UHFFFAOYSA-N 1 2 297.278 1.274 10 5 CDBELO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1noc(C)n1 ZINC001559736516 960803895 /nfs/dbraw/zinc/80/38/95/960803895.db2.gz NCTDFFXFGOQWTM-SNVBAGLBSA-N 1 2 294.315 1.532 10 5 CDBELO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001542171725 967215915 /nfs/dbraw/zinc/21/59/15/967215915.db2.gz YEJQSOVJBSFHFN-VXGBXAGGSA-N 1 2 286.291 1.738 10 5 CDBELO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001542171725 967215924 /nfs/dbraw/zinc/21/59/24/967215924.db2.gz YEJQSOVJBSFHFN-VXGBXAGGSA-N 1 2 286.291 1.738 10 5 CDBELO CN(CCCNc1c([N+](=O)[O-])cnn1C)c1cccc[nH+]1 ZINC001458557252 969314838 /nfs/dbraw/zinc/31/48/38/969314838.db2.gz QMFATIOYJCXMGM-UHFFFAOYSA-N 1 2 290.327 1.662 10 5 CDBELO CN(CCCn1cc[nH+]c1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601131413 342474700 /nfs/dbraw/zinc/47/47/00/342474700.db2.gz JUMHAJDZJDZDSG-UHFFFAOYSA-N 1 2 279.275 1.852 10 5 CDBELO CC[C@@H](C)NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533800082 282151146 /nfs/dbraw/zinc/15/11/46/282151146.db2.gz KMGISSYXKMCVHZ-LLVKDONJSA-N 1 2 291.351 1.868 10 5 CDBELO CC[C@@H](C)NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533800082 282151147 /nfs/dbraw/zinc/15/11/47/282151147.db2.gz KMGISSYXKMCVHZ-LLVKDONJSA-N 1 2 291.351 1.868 10 5 CDBELO CC1(O)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599060064 343946941 /nfs/dbraw/zinc/94/69/41/343946941.db2.gz MFLUCKPLNKLLON-UHFFFAOYSA-N 1 2 259.265 1.714 10 5 CDBELO COc1cc(NC[C@@H]2COCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599159473 343970587 /nfs/dbraw/zinc/97/05/87/343970587.db2.gz BYKRHKPBKMZPJD-SECBINFHSA-N 1 2 299.302 1.485 10 5 CDBELO COc1cc(NC[C@@H]2COCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000599159473 343970590 /nfs/dbraw/zinc/97/05/90/343970590.db2.gz BYKRHKPBKMZPJD-SECBINFHSA-N 1 2 299.302 1.485 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975562 344305235 /nfs/dbraw/zinc/30/52/35/344305235.db2.gz LCXXQCUUGGVDSP-PHIMTYICSA-N 1 2 264.281 1.379 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975562 344305236 /nfs/dbraw/zinc/30/52/36/344305236.db2.gz LCXXQCUUGGVDSP-PHIMTYICSA-N 1 2 264.281 1.379 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000293453852 362554290 /nfs/dbraw/zinc/55/42/90/362554290.db2.gz CTXLMBUBQAJRLU-GFCCVEGCSA-N 1 2 294.307 1.682 10 5 CDBELO COC[C@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000293453852 362554292 /nfs/dbraw/zinc/55/42/92/362554292.db2.gz CTXLMBUBQAJRLU-GFCCVEGCSA-N 1 2 294.307 1.682 10 5 CDBELO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339127562 359296781 /nfs/dbraw/zinc/29/67/81/359296781.db2.gz UNZQVYQZJVCANU-JOYOIKCWSA-N 1 2 266.297 1.815 10 5 CDBELO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339150906 359305956 /nfs/dbraw/zinc/30/59/56/359305956.db2.gz YPUITXAYLQYJPN-GXFFZTMASA-N 1 2 296.323 1.272 10 5 CDBELO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339150906 359305958 /nfs/dbraw/zinc/30/59/58/359305958.db2.gz YPUITXAYLQYJPN-GXFFZTMASA-N 1 2 296.323 1.272 10 5 CDBELO [NH3+]CCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000571916993 359675913 /nfs/dbraw/zinc/67/59/13/359675913.db2.gz CLACZDZTVHSMGQ-UHFFFAOYSA-N 1 2 253.258 1.368 10 5 CDBELO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000192780787 299324680 /nfs/dbraw/zinc/32/46/80/299324680.db2.gz DAATXZHATOGPGB-VIFPVBQESA-N 1 2 291.311 1.895 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000414568653 241261873 /nfs/dbraw/zinc/26/18/73/241261873.db2.gz HRKZVGXIBGQSGD-SMDDNHRTSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000414568653 241261875 /nfs/dbraw/zinc/26/18/75/241261875.db2.gz HRKZVGXIBGQSGD-SMDDNHRTSA-N 1 2 280.324 1.485 10 5 CDBELO C[N@@H+]1CCO[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000352081533 368068133 /nfs/dbraw/zinc/06/81/33/368068133.db2.gz FQBMICZUWQBFRO-MNOVXSKESA-N 1 2 283.353 1.171 10 5 CDBELO C[N@H+]1CCO[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000352081533 368068139 /nfs/dbraw/zinc/06/81/39/368068139.db2.gz FQBMICZUWQBFRO-MNOVXSKESA-N 1 2 283.353 1.171 10 5 CDBELO CCOc1cc(C[N@@H+]2CCOC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000295620940 370524895 /nfs/dbraw/zinc/52/48/95/370524895.db2.gz OLXYTNBNFBFEKD-LBPRGKRZSA-N 1 2 296.323 1.187 10 5 CDBELO CCOc1cc(C[N@H+]2CCOC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000295620940 370524901 /nfs/dbraw/zinc/52/49/01/370524901.db2.gz OLXYTNBNFBFEKD-LBPRGKRZSA-N 1 2 296.323 1.187 10 5 CDBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])s1 ZINC000371355776 374416644 /nfs/dbraw/zinc/41/66/44/374416644.db2.gz RSMFVHKSGZYWPS-ZETCQYMHSA-N 1 2 292.320 1.667 10 5 CDBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])s1 ZINC000371355776 374416647 /nfs/dbraw/zinc/41/66/47/374416647.db2.gz RSMFVHKSGZYWPS-ZETCQYMHSA-N 1 2 292.320 1.667 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCSC[C@H]1CO ZINC000330447388 374855629 /nfs/dbraw/zinc/85/56/29/374855629.db2.gz GBURGKAQOUSLHC-SNVBAGLBSA-N 1 2 284.337 1.210 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCSC[C@H]1CO ZINC000330447388 374855633 /nfs/dbraw/zinc/85/56/33/374855633.db2.gz GBURGKAQOUSLHC-SNVBAGLBSA-N 1 2 284.337 1.210 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000412081208 391117348 /nfs/dbraw/zinc/11/73/48/391117348.db2.gz RLXKGVDCSPDFRN-COPLHBTASA-N 1 2 280.324 1.737 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000412081208 391117349 /nfs/dbraw/zinc/11/73/49/391117349.db2.gz RLXKGVDCSPDFRN-COPLHBTASA-N 1 2 280.324 1.737 10 5 CDBELO C[C@H](c1nncn1C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000346950063 153356657 /nfs/dbraw/zinc/35/66/57/153356657.db2.gz BIQXBPNBFPQHBH-SECBINFHSA-N 1 2 288.311 1.238 10 5 CDBELO C[C@H](c1nncn1C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000346950063 153356659 /nfs/dbraw/zinc/35/66/59/153356659.db2.gz BIQXBPNBFPQHBH-SECBINFHSA-N 1 2 288.311 1.238 10 5 CDBELO COC(=O)[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358830128 158043925 /nfs/dbraw/zinc/04/39/25/158043925.db2.gz KOMHVTHCUVCTFQ-ZDUSSCGKSA-N 1 2 293.323 1.548 10 5 CDBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])o1 ZINC000371443269 160011294 /nfs/dbraw/zinc/01/12/94/160011294.db2.gz OYEAAEJNBOBNRI-ZETCQYMHSA-N 1 2 276.252 1.198 10 5 CDBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])o1 ZINC000371443269 160011292 /nfs/dbraw/zinc/01/12/92/160011292.db2.gz OYEAAEJNBOBNRI-ZETCQYMHSA-N 1 2 276.252 1.198 10 5 CDBELO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F)N(C)C ZINC000038087503 174099708 /nfs/dbraw/zinc/09/97/08/174099708.db2.gz ZQGFJEJFQVUQOE-QMMMGPOBSA-N 1 2 273.283 1.913 10 5 CDBELO C[C@H](C[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccn1 ZINC000043568160 175067482 /nfs/dbraw/zinc/06/74/82/175067482.db2.gz OUNMANTZEMUZAD-SNVBAGLBSA-N 1 2 266.301 1.122 10 5 CDBELO CC[C@@H](C(N)=O)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153027886 289154146 /nfs/dbraw/zinc/15/41/46/289154146.db2.gz CXNWMEUGKQQSOF-NSHDSACASA-N 1 2 263.297 1.217 10 5 CDBELO CC[C@@H](C(N)=O)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153027886 289154147 /nfs/dbraw/zinc/15/41/47/289154147.db2.gz CXNWMEUGKQQSOF-NSHDSACASA-N 1 2 263.297 1.217 10 5 CDBELO Cc1c(NC(=O)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000010809431 323206839 /nfs/dbraw/zinc/20/68/39/323206839.db2.gz HXKHFJMSRIMUMF-UHFFFAOYSA-N 1 2 260.253 1.738 10 5 CDBELO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000384597431 323684644 /nfs/dbraw/zinc/68/46/44/323684644.db2.gz WLUBIGGBBOUIJD-WPRPVWTQSA-N 1 2 279.296 1.627 10 5 CDBELO 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188236293 /nfs/dbraw/zinc/23/62/93/188236293.db2.gz ISKLMGIWGTUHQB-UHFFFAOYSA-N 1 2 293.323 1.971 10 5 CDBELO C[C@H]1SCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000408311527 359023781 /nfs/dbraw/zinc/02/37/81/359023781.db2.gz ZLXHAXGLKRSCTF-DTWKUNHWSA-N 1 2 270.358 1.654 10 5 CDBELO C[C@H]1SCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000408311527 359023782 /nfs/dbraw/zinc/02/37/82/359023782.db2.gz ZLXHAXGLKRSCTF-DTWKUNHWSA-N 1 2 270.358 1.654 10 5 CDBELO Cc1cc(N(C)Cc2ccc(N)[nH+]c2)ncc1[N+](=O)[O-] ZINC000135983220 360209127 /nfs/dbraw/zinc/20/91/27/360209127.db2.gz INJMRZTZPLKFLD-UHFFFAOYSA-N 1 2 273.296 1.912 10 5 CDBELO COc1cc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000268253036 364588699 /nfs/dbraw/zinc/58/86/99/364588699.db2.gz XHAKUPXVSRUQOT-UHFFFAOYSA-N 1 2 299.302 1.487 10 5 CDBELO C[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000226564172 375368417 /nfs/dbraw/zinc/36/84/17/375368417.db2.gz RYRIWQYQFCGEGF-JTQLQIEISA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000226564172 375368428 /nfs/dbraw/zinc/36/84/28/375368428.db2.gz RYRIWQYQFCGEGF-JTQLQIEISA-N 1 2 279.296 1.124 10 5 CDBELO Cn1c[nH+]c(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)c1 ZINC000413379944 391208469 /nfs/dbraw/zinc/20/84/69/391208469.db2.gz HVWRNPGTTUBAFI-UHFFFAOYSA-N 1 2 287.323 1.951 10 5 CDBELO COc1cc[nH+]cc1CNc1ccncc1[N+](=O)[O-] ZINC000431435195 393108969 /nfs/dbraw/zinc/10/89/69/393108969.db2.gz ZIPADIIHOMSCFC-UHFFFAOYSA-N 1 2 260.253 1.427 10 5 CDBELO O=C(NCc1cn2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cn1 ZINC000532397631 393073740 /nfs/dbraw/zinc/07/37/40/393073740.db2.gz IYMRYGRBYFFERI-UHFFFAOYSA-N 1 2 297.274 1.568 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191519025 393118366 /nfs/dbraw/zinc/11/83/66/393118366.db2.gz YTQPCVHZOXHCHO-FZMZJTMJSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191519025 393118373 /nfs/dbraw/zinc/11/83/73/393118373.db2.gz 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1.460 10 5 CDBELO Cn1cnnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050417316 527524511 /nfs/dbraw/zinc/52/45/11/527524511.db2.gz CJFGEEOBXRJCKD-UHFFFAOYSA-N 1 2 281.703 1.667 10 5 CDBELO Cc1nn(C)c(NCc2[nH]c(C)c(C)[nH+]2)c1[N+](=O)[O-] ZINC001640439089 1167024456 /nfs/dbraw/zinc/02/44/56/1167024456.db2.gz ZOOMCWONBDNYCJ-UHFFFAOYSA-N 1 2 264.289 1.589 10 5 CDBELO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC001645387217 1167399342 /nfs/dbraw/zinc/39/93/42/1167399342.db2.gz YRUPEAPJPQHCAC-NSHDSACASA-N 1 2 277.280 1.796 10 5 CDBELO CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000212214841 1175789537 /nfs/dbraw/zinc/78/95/37/1175789537.db2.gz XMPVFAVLGDWKLG-UHFFFAOYSA-N 1 2 260.253 1.482 10 5 CDBELO C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000814046587 737062669 /nfs/dbraw/zinc/06/26/69/737062669.db2.gz HGQGOBIUNOHDHH-NEPJUHHUSA-N 1 2 292.335 1.642 10 5 CDBELO C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000814046587 737062676 /nfs/dbraw/zinc/06/26/76/737062676.db2.gz HGQGOBIUNOHDHH-NEPJUHHUSA-N 1 2 292.335 1.642 10 5 CDBELO COC[C@@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000167525565 737865049 /nfs/dbraw/zinc/86/50/49/737865049.db2.gz GAHFQKISACBKPK-SECBINFHSA-N 1 2 264.241 1.291 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000246852011 737783438 /nfs/dbraw/zinc/78/34/38/737783438.db2.gz CPEVCXUZNCWTMQ-AAEUAGOBSA-N 1 2 280.328 1.376 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000246852011 737783442 /nfs/dbraw/zinc/78/34/42/737783442.db2.gz CPEVCXUZNCWTMQ-AAEUAGOBSA-N 1 2 280.328 1.376 10 5 CDBELO Nc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC001629188934 1166121481 /nfs/dbraw/zinc/12/14/81/1166121481.db2.gz FZBLQWSLUUEARV-UHFFFAOYSA-N 1 2 275.268 1.471 10 5 CDBELO Cc1cc(N)nc(SCc2cccnc2[N+](=O)[O-])[nH+]1 ZINC001643549670 1167257061 /nfs/dbraw/zinc/25/70/61/1167257061.db2.gz BTNSOHHBMNRVQT-UHFFFAOYSA-N 1 2 277.309 1.963 10 5 CDBELO COc1ccc(NC(=O)Cc2[nH]c[nH+]c2C)cc1[N+](=O)[O-] ZINC001295475583 954685413 /nfs/dbraw/zinc/68/54/13/954685413.db2.gz RTFSSXFYARZRJO-UHFFFAOYSA-N 1 2 290.279 1.816 10 5 CDBELO CN(CC[NH2+]C/C(Cl)=C\Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493545626 972079283 /nfs/dbraw/zinc/07/92/83/972079283.db2.gz OUPOJWAKPQMBQN-LKJMDQPVSA-N 1 2 296.154 1.019 10 5 CDBELO Cc1nnc(CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001332657374 957657321 /nfs/dbraw/zinc/65/73/21/957657321.db2.gz QGERJGRPPHGYHP-UHFFFAOYSA-N 1 2 274.280 1.845 10 5 CDBELO Cc1nnc(CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001332657374 957657325 /nfs/dbraw/zinc/65/73/25/957657325.db2.gz QGERJGRPPHGYHP-UHFFFAOYSA-N 1 2 274.280 1.845 10 5 CDBELO NC(=O)c1cc(NCc2ccc[nH+]c2N)ccc1[N+](=O)[O-] ZINC001559193018 965410800 /nfs/dbraw/zinc/41/08/00/965410800.db2.gz PEMLAPYERGPRIE-UHFFFAOYSA-N 1 2 287.279 1.283 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000618585889 349489483 /nfs/dbraw/zinc/48/94/83/349489483.db2.gz SXDIBAPIWWQTKX-UHFFFAOYSA-N 1 2 298.306 1.996 10 5 CDBELO CCC[C@](C)([NH3+])C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258560 342683408 /nfs/dbraw/zinc/68/34/08/342683408.db2.gz UBVIXDFPFFVMEY-LBPRGKRZSA-N 1 2 267.285 1.756 10 5 CDBELO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258557 342683484 /nfs/dbraw/zinc/68/34/84/342683484.db2.gz TZQWOMPVHJGHGQ-MRVPVSSYSA-N 1 2 265.269 1.381 10 5 CDBELO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1[N+](=O)[O-] ZINC000593100501 342767257 /nfs/dbraw/zinc/76/72/57/342767257.db2.gz KONXGPPYLCLBMK-SULUTDIPSA-N 1 2 296.348 1.309 10 5 CDBELO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1[N+](=O)[O-] ZINC000593100501 342767258 /nfs/dbraw/zinc/76/72/58/342767258.db2.gz KONXGPPYLCLBMK-SULUTDIPSA-N 1 2 296.348 1.309 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597864236 343661564 /nfs/dbraw/zinc/66/15/64/343661564.db2.gz OAAWGWCRIZFIDT-UHFFFAOYSA-N 1 2 275.268 1.294 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597864236 343661566 /nfs/dbraw/zinc/66/15/66/343661566.db2.gz OAAWGWCRIZFIDT-UHFFFAOYSA-N 1 2 275.268 1.294 10 5 CDBELO CN1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599042469 343944267 /nfs/dbraw/zinc/94/42/67/343944267.db2.gz SMDLKEVKEGMWDK-SNVBAGLBSA-N 1 2 286.291 1.786 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599159725 343970404 /nfs/dbraw/zinc/97/04/04/343970404.db2.gz CKUXVBHLKCSQPH-SNVBAGLBSA-N 1 2 285.731 1.991 10 5 CDBELO C[N@H+]1CCOC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599159725 343970408 /nfs/dbraw/zinc/97/04/08/343970408.db2.gz CKUXVBHLKCSQPH-SNVBAGLBSA-N 1 2 285.731 1.991 10 5 CDBELO CNc1[nH+]cnc2c1cnn2Cc1ccc([N+](=O)[O-])cc1 ZINC000194425297 362330508 /nfs/dbraw/zinc/33/05/08/362330508.db2.gz JWRUPMNKZLVPRW-UHFFFAOYSA-N 1 2 284.279 1.825 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC1CC1 ZINC000007793251 345153065 /nfs/dbraw/zinc/15/30/65/345153065.db2.gz OHUFKDHEXQOOFV-JTQLQIEISA-N 1 2 277.324 1.866 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC1CC1 ZINC000007793251 345153067 /nfs/dbraw/zinc/15/30/67/345153067.db2.gz OHUFKDHEXQOOFV-JTQLQIEISA-N 1 2 277.324 1.866 10 5 CDBELO Cc1nn(C)c(NCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000295764118 199654276 /nfs/dbraw/zinc/65/42/76/199654276.db2.gz PEEOVLZWXRFDCG-UHFFFAOYSA-N 1 2 275.312 1.995 10 5 CDBELO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@H]2CC(F)F)n1 ZINC000286524726 356949030 /nfs/dbraw/zinc/94/90/30/356949030.db2.gz QXGMFBAVIWGNLJ-SECBINFHSA-N 1 2 290.270 1.147 10 5 CDBELO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@H]2CC(F)F)n1 ZINC000286524726 356949033 /nfs/dbraw/zinc/94/90/33/356949033.db2.gz QXGMFBAVIWGNLJ-SECBINFHSA-N 1 2 290.270 1.147 10 5 CDBELO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000267331507 359823932 /nfs/dbraw/zinc/82/39/32/359823932.db2.gz BVHFKSKPMFNBGJ-LLVKDONJSA-N 1 2 273.296 1.855 10 5 CDBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000371282607 374414666 /nfs/dbraw/zinc/41/46/66/374414666.db2.gz ZJBLUVUITHTDIO-JTQLQIEISA-N 1 2 286.291 1.605 10 5 CDBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000371282607 374414669 /nfs/dbraw/zinc/41/46/69/374414669.db2.gz ZJBLUVUITHTDIO-JTQLQIEISA-N 1 2 286.291 1.605 10 5 CDBELO CCOc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1[N+](=O)[O-] ZINC000276920636 374759138 /nfs/dbraw/zinc/75/91/38/374759138.db2.gz PCSUFOWTYJJTFA-UHFFFAOYSA-N 1 2 293.323 1.315 10 5 CDBELO CCOc1cc(C[N@H+]2CCNC(=O)CC2)ccc1[N+](=O)[O-] ZINC000276920636 374759141 /nfs/dbraw/zinc/75/91/41/374759141.db2.gz PCSUFOWTYJJTFA-UHFFFAOYSA-N 1 2 293.323 1.315 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cs1 ZINC000449467781 374811070 /nfs/dbraw/zinc/81/10/70/374811070.db2.gz JUHNRUZCNGSUEY-JTQLQIEISA-N 1 2 278.280 1.858 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cs1 ZINC000449467781 374811077 /nfs/dbraw/zinc/81/10/77/374811077.db2.gz JUHNRUZCNGSUEY-JTQLQIEISA-N 1 2 278.280 1.858 10 5 CDBELO O=C(NCC[NH+]1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280682139 375013047 /nfs/dbraw/zinc/01/30/47/375013047.db2.gz CLBSHTLERZVUFR-UHFFFAOYSA-N 1 2 293.323 1.516 10 5 CDBELO Cn1c[nH+]cc1Cc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000357957900 375940824 /nfs/dbraw/zinc/94/08/24/375940824.db2.gz MJMHYXNDFASCCB-UHFFFAOYSA-N 1 2 274.240 1.297 10 5 CDBELO CCC[N@H+](CC)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000218470466 391007755 /nfs/dbraw/zinc/00/77/55/391007755.db2.gz CKAIDIVVBTUYIW-UHFFFAOYSA-N 1 2 295.339 1.762 10 5 CDBELO CCC[N@@H+](CC)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000218470466 391007757 /nfs/dbraw/zinc/00/77/57/391007757.db2.gz CKAIDIVVBTUYIW-UHFFFAOYSA-N 1 2 295.339 1.762 10 5 CDBELO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000352540852 155259022 /nfs/dbraw/zinc/25/90/22/155259022.db2.gz QJXGUIYSBMIECL-LBPRGKRZSA-N 1 2 296.323 1.451 10 5 CDBELO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000352540852 155259024 /nfs/dbraw/zinc/25/90/24/155259024.db2.gz QJXGUIYSBMIECL-LBPRGKRZSA-N 1 2 296.323 1.451 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346445957 153192093 /nfs/dbraw/zinc/19/20/93/153192093.db2.gz DTXNKMCPLRVOSO-FZMZJTMJSA-N 1 2 289.335 1.962 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346445957 153192095 /nfs/dbraw/zinc/19/20/95/153192095.db2.gz DTXNKMCPLRVOSO-FZMZJTMJSA-N 1 2 289.335 1.962 10 5 CDBELO C[C@@H](c1nncn1C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000346950065 153356742 /nfs/dbraw/zinc/35/67/42/153356742.db2.gz BIQXBPNBFPQHBH-VIFPVBQESA-N 1 2 288.311 1.238 10 5 CDBELO C[C@@H](c1nncn1C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000346950065 153356745 /nfs/dbraw/zinc/35/67/45/153356745.db2.gz BIQXBPNBFPQHBH-VIFPVBQESA-N 1 2 288.311 1.238 10 5 CDBELO C[C@@H](O)[C@H]([NH3+])c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044731971 175241003 /nfs/dbraw/zinc/24/10/03/175241003.db2.gz LQONXJMZDMVIFE-MUWHJKNJSA-N 1 2 264.241 1.025 10 5 CDBELO O=C(NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cn1 ZINC000532136859 281921296 /nfs/dbraw/zinc/92/12/96/281921296.db2.gz QEFMCRUENNZKOC-UHFFFAOYSA-N 1 2 275.268 1.006 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(CCCc2c[nH+]cn2C)c1=O ZINC000582796356 325047594 /nfs/dbraw/zinc/04/75/94/325047594.db2.gz DPORPAJQLJESNZ-UHFFFAOYSA-N 1 2 276.296 1.431 10 5 CDBELO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000050792375 524986073 /nfs/dbraw/zinc/98/60/73/524986073.db2.gz YCDBEOOHYGOHOS-AOOOYVTPSA-N 1 2 265.313 1.786 10 5 CDBELO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2N)C[C@H](C)O1 ZINC000050792375 524986082 /nfs/dbraw/zinc/98/60/82/524986082.db2.gz YCDBEOOHYGOHOS-AOOOYVTPSA-N 1 2 265.313 1.786 10 5 CDBELO CCN1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000191537536 535520581 /nfs/dbraw/zinc/52/05/81/535520581.db2.gz SGIIGMJIGMKFMS-UHFFFAOYSA-N 1 2 291.351 1.957 10 5 CDBELO CCN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000191537536 535520589 /nfs/dbraw/zinc/52/05/89/535520589.db2.gz SGIIGMJIGMKFMS-UHFFFAOYSA-N 1 2 291.351 1.957 10 5 CDBELO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000748828920 576928609 /nfs/dbraw/zinc/92/86/09/576928609.db2.gz VNNPJJNIVCRJQD-NEPJUHHUSA-N 1 2 293.298 1.587 10 5 CDBELO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000748828920 576928611 /nfs/dbraw/zinc/92/86/11/576928611.db2.gz VNNPJJNIVCRJQD-NEPJUHHUSA-N 1 2 293.298 1.587 10 5 CDBELO Cn1[nH]c(=O)c2c1C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000931193913 617640424 /nfs/dbraw/zinc/64/04/24/617640424.db2.gz SDRDFEOASBKYRS-UHFFFAOYSA-N 1 2 288.307 1.592 10 5 CDBELO Cn1[nH]c(=O)c2c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000931193913 617640431 /nfs/dbraw/zinc/64/04/31/617640431.db2.gz SDRDFEOASBKYRS-UHFFFAOYSA-N 1 2 288.307 1.592 10 5 CDBELO O=[N+]([O-])c1cnn(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000152764168 631360667 /nfs/dbraw/zinc/36/06/67/631360667.db2.gz NYMCCSJCPVMDJA-UHFFFAOYSA-N 1 2 290.327 1.358 10 5 CDBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=CC1 ZINC001625904690 1159689912 /nfs/dbraw/zinc/68/99/12/1159689912.db2.gz OYZVQIABWDCEFM-UHFFFAOYSA-N 1 2 284.275 1.793 10 5 CDBELO Nc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC001629188934 1166121478 /nfs/dbraw/zinc/12/14/78/1166121478.db2.gz FZBLQWSLUUEARV-UHFFFAOYSA-N 1 2 275.268 1.471 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCn3c[nH+]cc32)n1 ZINC001634085298 1166468911 /nfs/dbraw/zinc/46/89/11/1166468911.db2.gz UMLDRQWOEFBOJC-JTQLQIEISA-N 1 2 287.279 1.370 10 5 CDBELO C[C@@H](CNc1nn(C)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001655618453 1171712141 /nfs/dbraw/zinc/71/21/41/1171712141.db2.gz OBVFTWVWQXWOOF-GARJFASQSA-N 1 2 297.359 1.238 10 5 CDBELO C[C@@H](CNc1nn(C)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001655618453 1171712144 /nfs/dbraw/zinc/71/21/44/1171712144.db2.gz OBVFTWVWQXWOOF-GARJFASQSA-N 1 2 297.359 1.238 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)Nc1nn(C)cc1[N+](=O)[O-] ZINC000231667917 1178173971 /nfs/dbraw/zinc/17/39/71/1178173971.db2.gz XYNRYLKNVOALDO-MRVPVSSYSA-N 1 2 250.262 1.025 10 5 CDBELO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000922641452 739831522 /nfs/dbraw/zinc/83/15/22/739831522.db2.gz LPYWSZVIIPCJPA-KCJUWKMLSA-N 1 2 252.270 1.425 10 5 CDBELO Nc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000049947212 740828404 /nfs/dbraw/zinc/82/84/04/740828404.db2.gz JXQPLRMXXCXKIZ-UHFFFAOYSA-N 1 2 290.323 1.097 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1nnnn1C ZINC001620646009 1165664333 /nfs/dbraw/zinc/66/43/33/1165664333.db2.gz NYGYHXIEUFZTEP-NXEZZACHSA-N 1 2 290.327 1.839 10 5 CDBELO C[C@](CO)([NH2+]Cc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001473714108 970836657 /nfs/dbraw/zinc/83/66/57/970836657.db2.gz LCAFWQMIYFWNKS-CYBMUJFWSA-N 1 2 276.296 1.315 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1[nH]cc[nH+]1 ZINC001293587703 954390591 /nfs/dbraw/zinc/39/05/91/954390591.db2.gz BUKIKPGQFAECBD-UHFFFAOYSA-N 1 2 288.307 1.907 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C)[nH+]cc2C)n1 ZINC001458486359 969306509 /nfs/dbraw/zinc/30/65/09/969306509.db2.gz IFMJCWGAYGJAJT-UHFFFAOYSA-N 1 2 286.291 1.984 10 5 CDBELO CCc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001597251138 1174263964 /nfs/dbraw/zinc/26/39/64/1174263964.db2.gz PCVOODYBGSQQSG-UHFFFAOYSA-N 1 2 274.280 1.810 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001597251138 1174263971 /nfs/dbraw/zinc/26/39/71/1174263971.db2.gz PCVOODYBGSQQSG-UHFFFAOYSA-N 1 2 274.280 1.810 10 5 CDBELO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC000590445465 342546614 /nfs/dbraw/zinc/54/66/14/342546614.db2.gz MYRZWYBZDDHIGW-JOYOIKCWSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@@H]2C1 ZINC000590445465 342546615 /nfs/dbraw/zinc/54/66/15/342546615.db2.gz MYRZWYBZDDHIGW-JOYOIKCWSA-N 1 2 291.307 1.077 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1cccnc1[N+](=O)[O-])CC2 ZINC000611764323 346874177 /nfs/dbraw/zinc/87/41/77/346874177.db2.gz UUAIPMZVVCRBJD-UHFFFAOYSA-N 1 2 259.269 1.515 10 5 CDBELO C[NH2+]C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000600825294 342251620 /nfs/dbraw/zinc/25/16/20/342251620.db2.gz DUCLAIGSYFJATL-UHFFFAOYSA-N 1 2 279.296 1.172 10 5 CDBELO Cc1noc(C[NH2+][C@@H](C)c2cn[nH]c2)c1[N+](=O)[O-] ZINC000595433191 343059430 /nfs/dbraw/zinc/05/94/30/343059430.db2.gz PKURRFAGWZUAMR-LURJTMIESA-N 1 2 251.246 1.465 10 5 CDBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000093214535 342424593 /nfs/dbraw/zinc/42/45/93/342424593.db2.gz LJOXHRXQPDFPRY-UHFFFAOYSA-N 1 2 283.353 1.886 10 5 CDBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000093214535 342424594 /nfs/dbraw/zinc/42/45/94/342424594.db2.gz LJOXHRXQPDFPRY-UHFFFAOYSA-N 1 2 283.353 1.886 10 5 CDBELO NC(=O)[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599145447 343966927 /nfs/dbraw/zinc/96/69/27/343966927.db2.gz UDKFKCXHMDPKOY-MGCOHNPYSA-N 1 2 286.291 1.819 10 5 CDBELO CC[N@@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000233470427 356344497 /nfs/dbraw/zinc/34/44/97/356344497.db2.gz GKNDDLJQOLQCOR-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO CC[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000233470427 356344503 /nfs/dbraw/zinc/34/45/03/356344503.db2.gz GKNDDLJQOLQCOR-JTQLQIEISA-N 1 2 293.323 1.467 10 5 CDBELO C[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000286986317 358070779 /nfs/dbraw/zinc/07/07/79/358070779.db2.gz JHGDRRIJVIQSSY-VIFPVBQESA-N 1 2 261.285 1.574 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000366979129 364474257 /nfs/dbraw/zinc/47/42/57/364474257.db2.gz AQPUEDXFFFYZSK-CQSZACIVSA-N 1 2 295.314 1.964 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000366979129 364474261 /nfs/dbraw/zinc/47/42/61/364474261.db2.gz AQPUEDXFFFYZSK-CQSZACIVSA-N 1 2 295.314 1.964 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1cc(N)ccc1[N+](=O)[O-])CC2 ZINC000374587969 374486761 /nfs/dbraw/zinc/48/67/61/374486761.db2.gz YLYQSHYTGJECBU-UHFFFAOYSA-N 1 2 273.296 1.702 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1F ZINC000283208666 375113063 /nfs/dbraw/zinc/11/30/63/375113063.db2.gz RTWKEALFWXRRQS-AWEZNQCLSA-N 1 2 296.298 1.725 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1F ZINC000283208666 375113066 /nfs/dbraw/zinc/11/30/66/375113066.db2.gz RTWKEALFWXRRQS-AWEZNQCLSA-N 1 2 296.298 1.725 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000194736007 375958435 /nfs/dbraw/zinc/95/84/35/375958435.db2.gz QUWRCRFUQXLQRW-LBPRGKRZSA-N 1 2 294.311 1.047 10 5 CDBELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000194736007 375958438 /nfs/dbraw/zinc/95/84/38/375958438.db2.gz QUWRCRFUQXLQRW-LBPRGKRZSA-N 1 2 294.311 1.047 10 5 CDBELO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183328065 391262035 /nfs/dbraw/zinc/26/20/35/391262035.db2.gz XCTMRLWRDSQEOE-ZDUSSCGKSA-N 1 2 277.324 1.614 10 5 CDBELO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183328065 391262039 /nfs/dbraw/zinc/26/20/39/391262039.db2.gz XCTMRLWRDSQEOE-ZDUSSCGKSA-N 1 2 277.324 1.614 10 5 CDBELO CC1(C(N)=O)C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000592136178 392073015 /nfs/dbraw/zinc/07/30/15/392073015.db2.gz ROLPIYDPKJGJEE-UHFFFAOYSA-N 1 2 267.260 1.041 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)cs1 ZINC000494390515 393231740 /nfs/dbraw/zinc/23/17/40/393231740.db2.gz ZMLNSABECVGXFN-VIFPVBQESA-N 1 2 254.311 1.613 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cs1 ZINC000494390515 393231746 /nfs/dbraw/zinc/23/17/46/393231746.db2.gz ZMLNSABECVGXFN-VIFPVBQESA-N 1 2 254.311 1.613 10 5 CDBELO Cc1nc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000181701024 148218313 /nfs/dbraw/zinc/21/83/13/148218313.db2.gz JOTFUSGSDPNRHS-UHFFFAOYSA-N 1 2 276.296 1.961 10 5 CDBELO Cc1nc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000181701024 148218316 /nfs/dbraw/zinc/21/83/16/148218316.db2.gz JOTFUSGSDPNRHS-UHFFFAOYSA-N 1 2 276.296 1.961 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000352198068 155016204 /nfs/dbraw/zinc/01/62/04/155016204.db2.gz WYGMNCJDFLIWFD-UHFFFAOYSA-N 1 2 278.312 1.121 10 5 CDBELO Cc1sc(C(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000045203467 175327150 /nfs/dbraw/zinc/32/71/50/175327150.db2.gz TZRHMKJOPWEUPA-UHFFFAOYSA-N 1 2 294.336 1.970 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc[nH+]c1 ZINC000010809391 262057777 /nfs/dbraw/zinc/05/77/77/262057777.db2.gz HTMQOHKARAVPNK-UHFFFAOYSA-N 1 2 260.253 1.738 10 5 CDBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000584528406 329513349 /nfs/dbraw/zinc/51/33/49/329513349.db2.gz UHHDVATWAKHXEO-UHFFFAOYSA-N 1 2 265.269 1.239 10 5 CDBELO CC[N@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815091 520326840 /nfs/dbraw/zinc/32/68/40/520326840.db2.gz VQOSFQHWFHQYJK-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO CC[N@@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815091 520326848 /nfs/dbraw/zinc/32/68/48/520326848.db2.gz VQOSFQHWFHQYJK-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO CNc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000050813618 522608798 /nfs/dbraw/zinc/60/87/98/522608798.db2.gz JFBRUGRLQNHMGO-JTQLQIEISA-N 1 2 265.313 1.857 10 5 CDBELO CNc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000050813618 522608803 /nfs/dbraw/zinc/60/88/03/522608803.db2.gz JFBRUGRLQNHMGO-JTQLQIEISA-N 1 2 265.313 1.857 10 5 CDBELO COC(=O)[C@H]([NH3+])COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471825 523913441 /nfs/dbraw/zinc/91/34/41/523913441.db2.gz HZEWSCOSEJZGIX-MRVPVSSYSA-N 1 2 274.660 1.127 10 5 CDBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2CCO)cc1 ZINC000767599903 576210092 /nfs/dbraw/zinc/21/00/92/576210092.db2.gz JKFULEGEGJYJGX-ZDUSSCGKSA-N 1 2 296.323 1.057 10 5 CDBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2CCO)cc1 ZINC000767599903 576210093 /nfs/dbraw/zinc/21/00/93/576210093.db2.gz JKFULEGEGJYJGX-ZDUSSCGKSA-N 1 2 296.323 1.057 10 5 CDBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccccc1[N+](=O)[O-] ZINC001628088375 1166038427 /nfs/dbraw/zinc/03/84/27/1166038427.db2.gz WRDPQCQOVXKTCK-SECBINFHSA-N 1 2 272.264 1.146 10 5 CDBELO C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000814046589 744967240 /nfs/dbraw/zinc/96/72/40/744967240.db2.gz HGQGOBIUNOHDHH-RYUDHWBXSA-N 1 2 292.335 1.642 10 5 CDBELO C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000814046589 744967250 /nfs/dbraw/zinc/96/72/50/744967250.db2.gz HGQGOBIUNOHDHH-RYUDHWBXSA-N 1 2 292.335 1.642 10 5 CDBELO C[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625951 745083334 /nfs/dbraw/zinc/08/33/34/745083334.db2.gz QVAJVOLRPUFRFY-MRVPVSSYSA-N 1 2 276.300 1.156 10 5 CDBELO Cc1nn(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000840144742 746041542 /nfs/dbraw/zinc/04/15/42/746041542.db2.gz NAFRLBILRFYGDI-ZDUSSCGKSA-N 1 2 280.328 1.560 10 5 CDBELO Cc1nn(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000840144742 746041551 /nfs/dbraw/zinc/04/15/51/746041551.db2.gz NAFRLBILRFYGDI-ZDUSSCGKSA-N 1 2 280.328 1.560 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001620646012 1165663722 /nfs/dbraw/zinc/66/37/22/1165663722.db2.gz NYGYHXIEUFZTEP-ZJUUUORDSA-N 1 2 290.327 1.839 10 5 CDBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC1 ZINC001135207192 930101722 /nfs/dbraw/zinc/10/17/22/930101722.db2.gz QSVNTXVGZLEAAG-UHFFFAOYSA-N 1 2 288.263 1.210 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC001335536636 959874049 /nfs/dbraw/zinc/87/40/49/959874049.db2.gz RHNKNNKBQFFXKE-CQSZACIVSA-N 1 2 290.319 1.858 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC001335536636 959874058 /nfs/dbraw/zinc/87/40/58/959874058.db2.gz RHNKNNKBQFFXKE-CQSZACIVSA-N 1 2 290.319 1.858 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCSCC2)c1 ZINC000589494522 342507824 /nfs/dbraw/zinc/50/78/24/342507824.db2.gz WNIMLRKEZYTMMP-UHFFFAOYSA-N 1 2 296.348 1.930 10 5 CDBELO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000590444437 342546438 /nfs/dbraw/zinc/54/64/38/342546438.db2.gz LTASKRBWNCNDCF-JQWIXIFHSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000590444437 342546439 /nfs/dbraw/zinc/54/64/39/342546439.db2.gz LTASKRBWNCNDCF-JQWIXIFHSA-N 1 2 291.307 1.077 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ncc(C)cc1[N+](=O)[O-])CC2 ZINC000611764212 346874144 /nfs/dbraw/zinc/87/41/44/346874144.db2.gz IBJOJOLPORHGMA-UHFFFAOYSA-N 1 2 273.296 1.823 10 5 CDBELO Cn1nccc1[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595543193 343093975 /nfs/dbraw/zinc/09/39/75/343093975.db2.gz ZQQXHZIJKGBLRO-NSHDSACASA-N 1 2 294.286 1.291 10 5 CDBELO CC(C)[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598576628 343834012 /nfs/dbraw/zinc/83/40/12/343834012.db2.gz YBQJHJBXPXRJDI-GFCCVEGCSA-N 1 2 293.323 1.370 10 5 CDBELO Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598941378 343923451 /nfs/dbraw/zinc/92/34/51/343923451.db2.gz DGVNACPYJQEGSB-LLVKDONJSA-N 1 2 286.291 1.454 10 5 CDBELO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1COCC[N@@H+]1C ZINC000599160061 343970224 /nfs/dbraw/zinc/97/02/24/343970224.db2.gz CRHCAQSKFLEOIR-CYBMUJFWSA-N 1 2 295.339 1.484 10 5 CDBELO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1COCC[N@H+]1C ZINC000599160061 343970226 /nfs/dbraw/zinc/97/02/26/343970226.db2.gz CRHCAQSKFLEOIR-CYBMUJFWSA-N 1 2 295.339 1.484 10 5 CDBELO Cc1noc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[N+](=O)[O-] ZINC000599638877 344110601 /nfs/dbraw/zinc/11/06/01/344110601.db2.gz XJHJAJIDAWLQJC-ZJNREGCTSA-N 1 2 299.352 1.377 10 5 CDBELO Cc1noc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[N+](=O)[O-] ZINC000599638877 344110604 /nfs/dbraw/zinc/11/06/04/344110604.db2.gz XJHJAJIDAWLQJC-ZJNREGCTSA-N 1 2 299.352 1.377 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](CCCF)CC1 ZINC000599673336 344114212 /nfs/dbraw/zinc/11/42/12/344114212.db2.gz ZGEXWKYSLFINBT-UHFFFAOYSA-N 1 2 297.330 1.778 10 5 CDBELO COC[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599692667 344123084 /nfs/dbraw/zinc/12/30/84/344123084.db2.gz LHBNCIBUIMJGTC-AWEZNQCLSA-N 1 2 280.324 1.832 10 5 CDBELO COC[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599692667 344123088 /nfs/dbraw/zinc/12/30/88/344123088.db2.gz LHBNCIBUIMJGTC-AWEZNQCLSA-N 1 2 280.324 1.832 10 5 CDBELO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000295090734 199339859 /nfs/dbraw/zinc/33/98/59/199339859.db2.gz ZCXIGWQPAATJAI-UHFFFAOYSA-N 1 2 288.267 1.960 10 5 CDBELO O=[N+]([O-])c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC000090367470 179978333 /nfs/dbraw/zinc/97/83/33/179978333.db2.gz OWBYPRZKWXLWOK-UHFFFAOYSA-N 1 2 270.260 1.445 10 5 CDBELO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000234313041 357683620 /nfs/dbraw/zinc/68/36/20/357683620.db2.gz NXZQCAHOUNEVAW-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000234313041 357683625 /nfs/dbraw/zinc/68/36/25/357683625.db2.gz NXZQCAHOUNEVAW-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285458678 358064890 /nfs/dbraw/zinc/06/48/90/358064890.db2.gz ZDFSNGJOSMOSOM-HNNXBMFYSA-N 1 2 292.335 1.976 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285458678 358064893 /nfs/dbraw/zinc/06/48/93/358064893.db2.gz ZDFSNGJOSMOSOM-HNNXBMFYSA-N 1 2 292.335 1.976 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338349708 359121483 /nfs/dbraw/zinc/12/14/83/359121483.db2.gz GFXHYKFZDZTTNN-BETUJISGSA-N 1 2 264.281 1.194 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000338349708 359121486 /nfs/dbraw/zinc/12/14/86/359121486.db2.gz GFXHYKFZDZTTNN-BETUJISGSA-N 1 2 264.281 1.194 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(Cc2c[nH+]c3ccccn23)c1=O ZINC000179990030 372328561 /nfs/dbraw/zinc/32/85/61/372328561.db2.gz UXNLCNASKQBESU-UHFFFAOYSA-N 1 2 284.275 1.761 10 5 CDBELO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000190328969 373347836 /nfs/dbraw/zinc/34/78/36/373347836.db2.gz FXXHBWHCLYNYTN-VIFPVBQESA-N 1 2 284.341 1.326 10 5 CDBELO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000190328969 373347845 /nfs/dbraw/zinc/34/78/45/373347845.db2.gz FXXHBWHCLYNYTN-VIFPVBQESA-N 1 2 284.341 1.326 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ncnn1C ZINC000276741008 374744817 /nfs/dbraw/zinc/74/48/17/374744817.db2.gz RZAVRKZTTKGTAZ-JTQLQIEISA-N 1 2 275.312 1.883 10 5 CDBELO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000358213192 375958565 /nfs/dbraw/zinc/95/85/65/375958565.db2.gz TVGAFLZCGQFGTE-UHFFFAOYSA-N 1 2 276.296 1.829 10 5 CDBELO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000358213192 375958566 /nfs/dbraw/zinc/95/85/66/375958566.db2.gz TVGAFLZCGQFGTE-UHFFFAOYSA-N 1 2 276.296 1.829 10 5 CDBELO C[C@@H](O)CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599027635 390321205 /nfs/dbraw/zinc/32/12/05/390321205.db2.gz OGJHMMXIUPKEMA-SECBINFHSA-N 1 2 261.281 1.960 10 5 CDBELO CC[C@H]([NH2+]Cc1nnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000342290696 151806860 /nfs/dbraw/zinc/80/68/60/151806860.db2.gz QKJPXGNJDHBYLO-NSHDSACASA-N 1 2 276.300 1.359 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000185966844 280152143 /nfs/dbraw/zinc/15/21/43/280152143.db2.gz XIMLFIOHNOBQEE-CQSZACIVSA-N 1 2 295.314 1.964 10 5 CDBELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000185966844 280152144 /nfs/dbraw/zinc/15/21/44/280152144.db2.gz XIMLFIOHNOBQEE-CQSZACIVSA-N 1 2 295.314 1.964 10 5 CDBELO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532393411 281974385 /nfs/dbraw/zinc/97/43/85/281974385.db2.gz WRUKVKACNWIHPQ-UHFFFAOYSA-N 1 2 272.264 1.621 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761101531 576548558 /nfs/dbraw/zinc/54/85/58/576548558.db2.gz XQQJPBLVKRIRPT-CMPLNLGQSA-N 1 2 275.308 1.936 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761101531 576548561 /nfs/dbraw/zinc/54/85/61/576548561.db2.gz XQQJPBLVKRIRPT-CMPLNLGQSA-N 1 2 275.308 1.936 10 5 CDBELO Cn1c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898485399 621756469 /nfs/dbraw/zinc/75/64/69/621756469.db2.gz IIBNZBADNKGLJP-JTQLQIEISA-N 1 2 298.318 1.097 10 5 CDBELO Cn1c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898485399 621756472 /nfs/dbraw/zinc/75/64/72/621756472.db2.gz IIBNZBADNKGLJP-JTQLQIEISA-N 1 2 298.318 1.097 10 5 CDBELO O=[N+]([O-])c1ccccc1-c1cc([C@H]2COCC[NH2+]2)on1 ZINC000901395201 624219246 /nfs/dbraw/zinc/21/92/46/624219246.db2.gz JQTNIQXSKBMVJX-LLVKDONJSA-N 1 2 275.264 1.911 10 5 CDBELO [NH3+][C@H](CC(=O)NCc1ccccc1[N+](=O)[O-])C(F)F ZINC000724726561 749836110 /nfs/dbraw/zinc/83/61/10/749836110.db2.gz FGKPWKDZZFJKRV-MRVPVSSYSA-N 1 2 273.239 1.194 10 5 CDBELO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](C2CC2)CC1 ZINC000804386745 753808731 /nfs/dbraw/zinc/80/87/31/753808731.db2.gz IHALGJCRPMWNCM-UHFFFAOYSA-N 1 2 292.295 1.787 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1NC(=O)c1cccc2[nH+]ccn21 ZINC001128985584 922740514 /nfs/dbraw/zinc/74/05/14/922740514.db2.gz XXJMCACFIXEGBV-UHFFFAOYSA-N 1 2 286.251 1.228 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000828724972 926173311 /nfs/dbraw/zinc/17/33/11/926173311.db2.gz OCGBSMBFMMIIGI-TZMCWYRMSA-N 1 2 293.367 1.573 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000828724972 926173318 /nfs/dbraw/zinc/17/33/18/926173318.db2.gz OCGBSMBFMMIIGI-TZMCWYRMSA-N 1 2 293.367 1.573 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC=CC1 ZINC001298986640 955262444 /nfs/dbraw/zinc/26/24/44/955262444.db2.gz VGDOHBHIPXPONU-UHFFFAOYSA-N 1 2 284.275 1.793 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc(F)ccc1[N+](=O)[O-] ZINC001454148984 968436325 /nfs/dbraw/zinc/43/63/25/968436325.db2.gz JLCVIVJIYIQWHA-JTQLQIEISA-N 1 2 290.254 1.805 10 5 CDBELO O=C(N[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC001459543836 969435993 /nfs/dbraw/zinc/43/59/93/969435993.db2.gz TVZSNSHYJRIFSR-ZDUSSCGKSA-N 1 2 277.324 1.158 10 5 CDBELO O=C(N[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC001459543836 969435996 /nfs/dbraw/zinc/43/59/96/969435996.db2.gz TVZSNSHYJRIFSR-ZDUSSCGKSA-N 1 2 277.324 1.158 10 5 CDBELO Cc1c(NC(=O)Cc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC001463567644 969741545 /nfs/dbraw/zinc/74/15/45/969741545.db2.gz OKVAHKONSSHKDR-UHFFFAOYSA-N 1 2 274.280 1.818 10 5 CDBELO CCn1c(C)nc([N+](=O)[O-])c1N1CCn2cc(C)[nH+]c2C1 ZINC000588827530 342222598 /nfs/dbraw/zinc/22/25/98/342222598.db2.gz CAZCJIQTEAXCJF-UHFFFAOYSA-N 1 2 290.327 1.645 10 5 CDBELO CO[C@]1(CO)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595660852 343120078 /nfs/dbraw/zinc/12/00/78/343120078.db2.gz FWVBYCFUHWFKAX-GFCCVEGCSA-N 1 2 286.353 1.630 10 5 CDBELO CO[C@]1(CO)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595660852 343120081 /nfs/dbraw/zinc/12/00/81/343120081.db2.gz FWVBYCFUHWFKAX-GFCCVEGCSA-N 1 2 286.353 1.630 10 5 CDBELO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](C)[NH2+]1 ZINC000598531065 343826286 /nfs/dbraw/zinc/82/62/86/343826286.db2.gz FKYDKJUGSGHBMH-VHSXEESVSA-N 1 2 293.323 1.513 10 5 CDBELO Cc1sc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598944456 343924722 /nfs/dbraw/zinc/92/47/22/343924722.db2.gz NGXYPPLKMNFYKX-QMMMGPOBSA-N 1 2 292.320 1.516 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599160075 343970165 /nfs/dbraw/zinc/97/01/65/343970165.db2.gz DHUOVQNXSNDQLJ-SNVBAGLBSA-N 1 2 292.339 1.305 10 5 CDBELO C[N@H+]1CCOC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000599160075 343970166 /nfs/dbraw/zinc/97/01/66/343970166.db2.gz DHUOVQNXSNDQLJ-SNVBAGLBSA-N 1 2 292.339 1.305 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599082405 343957554 /nfs/dbraw/zinc/95/75/54/343957554.db2.gz BNEDIGMNTSXQPA-WDEREUQCSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599082405 343957555 /nfs/dbraw/zinc/95/75/55/343957555.db2.gz BNEDIGMNTSXQPA-WDEREUQCSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1F ZINC000611502278 346806115 /nfs/dbraw/zinc/80/61/15/346806115.db2.gz QSJXKFRAWPQNNA-BXKDBHETSA-N 1 2 295.314 1.874 10 5 CDBELO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1F ZINC000611502278 346806118 /nfs/dbraw/zinc/80/61/18/346806118.db2.gz QSJXKFRAWPQNNA-BXKDBHETSA-N 1 2 295.314 1.874 10 5 CDBELO C[C@@H]1CSCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408311085 360504177 /nfs/dbraw/zinc/50/41/77/360504177.db2.gz XBHDXOOIJWESRP-MRVPVSSYSA-N 1 2 256.331 1.266 10 5 CDBELO C[C@@H]1CSCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408311085 360504181 /nfs/dbraw/zinc/50/41/81/360504181.db2.gz XBHDXOOIJWESRP-MRVPVSSYSA-N 1 2 256.331 1.266 10 5 CDBELO COC(=O)[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000133687776 365340788 /nfs/dbraw/zinc/34/07/88/365340788.db2.gz XFJGRIIDSLWUCG-NSHDSACASA-N 1 2 296.327 1.127 10 5 CDBELO COC(=O)[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000133687776 365340790 /nfs/dbraw/zinc/34/07/90/365340790.db2.gz XFJGRIIDSLWUCG-NSHDSACASA-N 1 2 296.327 1.127 10 5 CDBELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351985483 367133979 /nfs/dbraw/zinc/13/39/79/367133979.db2.gz XUGPIZBUDVPQBV-GFCCVEGCSA-N 1 2 293.323 1.314 10 5 CDBELO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351985483 367133985 /nfs/dbraw/zinc/13/39/85/367133985.db2.gz XUGPIZBUDVPQBV-GFCCVEGCSA-N 1 2 293.323 1.314 10 5 CDBELO CN(C)c1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)c[nH+]1 ZINC000301141499 368079419 /nfs/dbraw/zinc/07/94/19/368079419.db2.gz BVFOSDVCVFFULJ-UHFFFAOYSA-N 1 2 275.272 1.172 10 5 CDBELO CC1(C)C[NH+](CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000517391738 391111859 /nfs/dbraw/zinc/11/18/59/391111859.db2.gz PQRNKJHTPBWRIG-UHFFFAOYSA-N 1 2 263.297 1.875 10 5 CDBELO Cc1cc(C(=O)NCCc2cn(C)c[nH+]2)cc([N+](=O)[O-])c1 ZINC000457866335 391653606 /nfs/dbraw/zinc/65/36/06/391653606.db2.gz VJCVPIJOMIKQDN-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(Cc2[nH+]c3ccccc3n2C)c1=O ZINC000178228455 140001827 /nfs/dbraw/zinc/00/18/27/140001827.db2.gz ATBYMKBSHOCDMB-UHFFFAOYSA-N 1 2 298.302 2.000 10 5 CDBELO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cncnc2)CC1 ZINC000160427414 296515021 /nfs/dbraw/zinc/51/50/21/296515021.db2.gz JTHZAKQHQLFERL-UHFFFAOYSA-N 1 2 299.334 1.707 10 5 CDBELO COC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000352540851 155258894 /nfs/dbraw/zinc/25/88/94/155258894.db2.gz QJXGUIYSBMIECL-GFCCVEGCSA-N 1 2 296.323 1.451 10 5 CDBELO COC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000352540851 155258897 /nfs/dbraw/zinc/25/88/97/155258897.db2.gz QJXGUIYSBMIECL-GFCCVEGCSA-N 1 2 296.323 1.451 10 5 CDBELO [NH2+]=C1NNC(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006883583 170252795 /nfs/dbraw/zinc/25/27/95/170252795.db2.gz QYDGZVUZPKLYIL-YRNVUSSQSA-N 1 2 298.258 1.850 10 5 CDBELO O=C(NCCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000078741065 177379882 /nfs/dbraw/zinc/37/98/82/177379882.db2.gz LSEDGSCQFXWZCX-UHFFFAOYSA-N 1 2 266.282 1.352 10 5 CDBELO O=C(NCCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])s1 ZINC000078741065 177379883 /nfs/dbraw/zinc/37/98/83/177379883.db2.gz LSEDGSCQFXWZCX-UHFFFAOYSA-N 1 2 266.282 1.352 10 5 CDBELO Cc1sc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000522258006 281093352 /nfs/dbraw/zinc/09/33/52/281093352.db2.gz OIQXCUKNCYMPGN-UHFFFAOYSA-N 1 2 292.320 1.858 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2 ZINC000359902082 281545991 /nfs/dbraw/zinc/54/59/91/281545991.db2.gz RRNMYUNETBVOGN-UHFFFAOYSA-N 1 2 299.294 1.163 10 5 CDBELO CCOC(=O)[C@@H](CCOc1cccc(C)c1[N+](=O)[O-])[NH2+]C ZINC000062540750 521062822 /nfs/dbraw/zinc/06/28/22/521062822.db2.gz MMUNTVVKRNCBDE-LLVKDONJSA-N 1 2 296.323 1.823 10 5 CDBELO CCOC(=O)[C@@H]([NH3+])COc1cc([N+](=O)[O-])ccc1Cl ZINC000069508300 521074626 /nfs/dbraw/zinc/07/46/26/521074626.db2.gz LAYDAFKALOAKJY-VIFPVBQESA-N 1 2 288.687 1.517 10 5 CDBELO C[NH2+][C@@](C)(C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000068651564 522415053 /nfs/dbraw/zinc/41/50/53/522415053.db2.gz MAEWMQIZURMZRM-YGRLFVJLSA-N 1 2 296.323 1.903 10 5 CDBELO C[NH2+][C@H](CCOc1ccc([N+](=O)[O-])c(C)c1)C(=O)OC ZINC000062540029 522461808 /nfs/dbraw/zinc/46/18/08/522461808.db2.gz XQIGQGXLFBLIQF-LLVKDONJSA-N 1 2 282.296 1.433 10 5 CDBELO C[NH2+][C@H](CCOc1cc(C)ccc1[N+](=O)[O-])C(=O)OC ZINC000062539865 522462616 /nfs/dbraw/zinc/46/26/16/522462616.db2.gz IPOQLZPPYGOYTP-SNVBAGLBSA-N 1 2 282.296 1.433 10 5 CDBELO O=[N+]([O-])c1c(N2CCc3[nH+]c[nH]c3C2)nc2ccccn21 ZINC001642758708 1167194236 /nfs/dbraw/zinc/19/42/36/1167194236.db2.gz UJIKUIMZNZMPTA-UHFFFAOYSA-N 1 2 284.279 1.528 10 5 CDBELO Cc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])o2)[nH+]c1C ZINC001566257010 1168254113 /nfs/dbraw/zinc/25/41/13/1168254113.db2.gz AIHIJGVHYZMTBK-UHFFFAOYSA-N 1 2 264.241 1.458 10 5 CDBELO [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236301414 1178251540 /nfs/dbraw/zinc/25/15/40/1178251540.db2.gz VVFPUHKFTNJNFD-VHSXEESVSA-N 1 2 279.296 1.756 10 5 CDBELO Cc1nn(C)c(N[C@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927615 754696689 /nfs/dbraw/zinc/69/66/89/754696689.db2.gz DVVMDJNJFWUSFY-JTQLQIEISA-N 1 2 285.323 1.483 10 5 CDBELO Cc1nn(C)c(N[C@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927615 754696693 /nfs/dbraw/zinc/69/66/93/754696693.db2.gz DVVMDJNJFWUSFY-JTQLQIEISA-N 1 2 285.323 1.483 10 5 CDBELO C[NH+]1CCC(ONC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000816533488 756735773 /nfs/dbraw/zinc/73/57/73/756735773.db2.gz YDMGEUZHPBDBHD-UHFFFAOYSA-N 1 2 295.295 1.056 10 5 CDBELO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccoc2)CC1 ZINC000835058761 756884999 /nfs/dbraw/zinc/88/49/99/756884999.db2.gz SJIVNZNSRHWCEI-UHFFFAOYSA-N 1 2 288.307 1.905 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC001127729401 918226387 /nfs/dbraw/zinc/22/63/87/918226387.db2.gz ZGRIBOHMCMEFMU-UHFFFAOYSA-N 1 2 272.264 1.676 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000828724970 926172232 /nfs/dbraw/zinc/17/22/32/926172232.db2.gz OCGBSMBFMMIIGI-OCCSQVGLSA-N 1 2 293.367 1.573 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C)[C@H](CO)C1 ZINC000828724970 926172237 /nfs/dbraw/zinc/17/22/37/926172237.db2.gz OCGBSMBFMMIIGI-OCCSQVGLSA-N 1 2 293.367 1.573 10 5 CDBELO CON(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001136041162 930616944 /nfs/dbraw/zinc/61/69/44/930616944.db2.gz QVWKZWHFJMLSSA-UHFFFAOYSA-N 1 2 276.252 1.414 10 5 CDBELO NC(=O)c1ccc(C[N@@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC001473561613 970815392 /nfs/dbraw/zinc/81/53/92/970815392.db2.gz QGQUHXBXFKVYAR-CQSZACIVSA-N 1 2 291.307 1.059 10 5 CDBELO NC(=O)c1ccc(C[N@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC001473561613 970815398 /nfs/dbraw/zinc/81/53/98/970815398.db2.gz QGQUHXBXFKVYAR-CQSZACIVSA-N 1 2 291.307 1.059 10 5 CDBELO O=C(Cn1cc[nH+]c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001326058151 954198480 /nfs/dbraw/zinc/19/84/80/954198480.db2.gz LNVOXICMXOTOQE-UHFFFAOYSA-N 1 2 272.264 1.334 10 5 CDBELO Cc1ccc(NC(=O)Cc2c[nH+]cn2C)c(N)c1[N+](=O)[O-] ZINC001472227577 970598106 /nfs/dbraw/zinc/59/81/06/970598106.db2.gz SFAHEBNCOZLTMZ-UHFFFAOYSA-N 1 2 289.295 1.400 10 5 CDBELO COC(=O)c1nn(Cc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC001656834894 1171885630 /nfs/dbraw/zinc/88/56/30/1171885630.db2.gz OMNCWPBLVZCDBO-UHFFFAOYSA-N 1 2 290.279 1.638 10 5 CDBELO CN(Cc1[nH+]ccn1C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587024757 342474103 /nfs/dbraw/zinc/47/41/03/342474103.db2.gz VWBVIBOKIRLMGU-UHFFFAOYSA-N 1 2 291.311 1.039 10 5 CDBELO CC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515165 346807279 /nfs/dbraw/zinc/80/72/79/346807279.db2.gz AOYDDHDCDCDLPI-UHFFFAOYSA-N 1 2 295.339 1.514 10 5 CDBELO CC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515165 346807281 /nfs/dbraw/zinc/80/72/81/346807281.db2.gz AOYDDHDCDCDLPI-UHFFFAOYSA-N 1 2 295.339 1.514 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101778 342767697 /nfs/dbraw/zinc/76/76/97/342767697.db2.gz ZIDLNIPZGJVNGD-PVUDRZGPSA-N 1 2 296.348 1.309 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593101778 342767698 /nfs/dbraw/zinc/76/76/98/342767698.db2.gz ZIDLNIPZGJVNGD-PVUDRZGPSA-N 1 2 296.348 1.309 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546395 343083790 /nfs/dbraw/zinc/08/37/90/343083790.db2.gz HQEBJENERAICQH-QMMMGPOBSA-N 1 2 278.268 1.876 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595546395 343083791 /nfs/dbraw/zinc/08/37/91/343083791.db2.gz HQEBJENERAICQH-QMMMGPOBSA-N 1 2 278.268 1.876 10 5 CDBELO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000584348383 345760362 /nfs/dbraw/zinc/76/03/62/345760362.db2.gz OJIXMCUHWLZHJX-JTQLQIEISA-N 1 2 269.326 1.413 10 5 CDBELO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000584348383 345760365 /nfs/dbraw/zinc/76/03/65/345760365.db2.gz OJIXMCUHWLZHJX-JTQLQIEISA-N 1 2 269.326 1.413 10 5 CDBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cn1 ZINC000610773070 346404199 /nfs/dbraw/zinc/40/41/99/346404199.db2.gz CHYHTDJEBQUOHU-UHFFFAOYSA-N 1 2 283.247 1.890 10 5 CDBELO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233456439 356337714 /nfs/dbraw/zinc/33/77/14/356337714.db2.gz UKOWZGCRCXFQND-SNVBAGLBSA-N 1 2 295.339 1.761 10 5 CDBELO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000331387556 358701586 /nfs/dbraw/zinc/70/15/86/358701586.db2.gz IVIWFDFJUSMKLN-SNVBAGLBSA-N 1 2 275.268 1.623 10 5 CDBELO CCNC(=O)C1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000347707868 359170919 /nfs/dbraw/zinc/17/09/19/359170919.db2.gz OBRJTTAEPMDNOD-UHFFFAOYSA-N 1 2 263.297 1.163 10 5 CDBELO Cc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)ncc1[N+](=O)[O-] ZINC000301442882 201009477 /nfs/dbraw/zinc/00/94/77/201009477.db2.gz POXJKYIEZRSHMQ-GFCCVEGCSA-N 1 2 292.339 1.573 10 5 CDBELO Cc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)ncc1[N+](=O)[O-] ZINC000301442882 201009479 /nfs/dbraw/zinc/00/94/79/201009479.db2.gz POXJKYIEZRSHMQ-GFCCVEGCSA-N 1 2 292.339 1.573 10 5 CDBELO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000389980367 365502606 /nfs/dbraw/zinc/50/26/06/365502606.db2.gz KJSBGYGPZAZJJD-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO CC[N@H+]1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000389980367 365502610 /nfs/dbraw/zinc/50/26/10/365502610.db2.gz KJSBGYGPZAZJJD-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO CCOc1cc(C[N@@H+]2CCOC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000295620936 370525212 /nfs/dbraw/zinc/52/52/12/370525212.db2.gz OLXYTNBNFBFEKD-GFCCVEGCSA-N 1 2 296.323 1.187 10 5 CDBELO CCOc1cc(C[N@H+]2CCOC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000295620936 370525214 /nfs/dbraw/zinc/52/52/14/370525214.db2.gz OLXYTNBNFBFEKD-GFCCVEGCSA-N 1 2 296.323 1.187 10 5 CDBELO Cc1c(C[N@@H+]2CCNC(=O)CC2)cccc1[N+](=O)[O-] ZINC000065955041 374296654 /nfs/dbraw/zinc/29/66/54/374296654.db2.gz GASJYOPAKGNPKK-UHFFFAOYSA-N 1 2 263.297 1.225 10 5 CDBELO Cc1c(C[N@H+]2CCNC(=O)CC2)cccc1[N+](=O)[O-] ZINC000065955041 374296662 /nfs/dbraw/zinc/29/66/62/374296662.db2.gz GASJYOPAKGNPKK-UHFFFAOYSA-N 1 2 263.297 1.225 10 5 CDBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000369926439 374370213 /nfs/dbraw/zinc/37/02/13/374370213.db2.gz ZIBWFYYARDSRNW-UHFFFAOYSA-N 1 2 292.320 1.817 10 5 CDBELO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282113719 375065306 /nfs/dbraw/zinc/06/53/06/375065306.db2.gz JDHDEEUNIPCIOA-LLVKDONJSA-N 1 2 293.323 1.136 10 5 CDBELO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000282113719 375065315 /nfs/dbraw/zinc/06/53/15/375065315.db2.gz JDHDEEUNIPCIOA-LLVKDONJSA-N 1 2 293.323 1.136 10 5 CDBELO C[C@@H]1C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075518052 375196046 /nfs/dbraw/zinc/19/60/46/375196046.db2.gz LXVVGPDJXVMSTB-MWLCHTKSSA-N 1 2 286.291 1.919 10 5 CDBELO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000048921811 390466101 /nfs/dbraw/zinc/46/61/01/390466101.db2.gz TVOSDQCNMRJCNY-LLVKDONJSA-N 1 2 295.364 1.899 10 5 CDBELO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000048921811 390466104 /nfs/dbraw/zinc/46/61/04/390466104.db2.gz TVOSDQCNMRJCNY-LLVKDONJSA-N 1 2 295.364 1.899 10 5 CDBELO CCNC(=O)C1C[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000459612899 392492698 /nfs/dbraw/zinc/49/26/98/392492698.db2.gz UVZBMYZYNCLDDY-UHFFFAOYSA-N 1 2 293.323 1.171 10 5 CDBELO Cc1c(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000281963421 393165889 /nfs/dbraw/zinc/16/58/89/393165889.db2.gz BBUFNYHMANMVFW-JTQLQIEISA-N 1 2 277.324 1.566 10 5 CDBELO Cc1c(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000281963421 393165893 /nfs/dbraw/zinc/16/58/93/393165893.db2.gz BBUFNYHMANMVFW-JTQLQIEISA-N 1 2 277.324 1.566 10 5 CDBELO Cc1nc(N(C)C)nc(NCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000488360646 398126111 /nfs/dbraw/zinc/12/61/11/398126111.db2.gz AYMDAQMKZHYFRV-UHFFFAOYSA-N 1 2 288.311 1.188 10 5 CDBELO Cc1nc(NCc2ccccc2[N+](=O)[O-])nc(N(C)C)[nH+]1 ZINC000488360646 398126114 /nfs/dbraw/zinc/12/61/14/398126114.db2.gz AYMDAQMKZHYFRV-UHFFFAOYSA-N 1 2 288.311 1.188 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c[nH+]cn1C ZINC000542476076 289545445 /nfs/dbraw/zinc/54/54/45/289545445.db2.gz UXFZXMOEPYMDBH-UHFFFAOYSA-N 1 2 288.307 1.609 10 5 CDBELO CCC[N@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816803 521545639 /nfs/dbraw/zinc/54/56/39/521545639.db2.gz BFKQUODRORBGTK-UHFFFAOYSA-N 1 2 280.328 1.135 10 5 CDBELO CCC[N@@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816803 521545643 /nfs/dbraw/zinc/54/56/43/521545643.db2.gz BFKQUODRORBGTK-UHFFFAOYSA-N 1 2 280.328 1.135 10 5 CDBELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000081566816 524302394 /nfs/dbraw/zinc/30/23/94/524302394.db2.gz SSTXLLVDQTWCFW-JTQLQIEISA-N 1 2 298.343 1.453 10 5 CDBELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000081566816 524302400 /nfs/dbraw/zinc/30/24/00/524302400.db2.gz SSTXLLVDQTWCFW-JTQLQIEISA-N 1 2 298.343 1.453 10 5 CDBELO CCN1C[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])OC1=O ZINC000846765904 758994793 /nfs/dbraw/zinc/99/47/93/758994793.db2.gz ZUEDFOMETGAVGC-GFCCVEGCSA-N 1 2 293.323 1.867 10 5 CDBELO CCN1C[C@@H](C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])OC1=O ZINC000846765904 758994805 /nfs/dbraw/zinc/99/48/05/758994805.db2.gz ZUEDFOMETGAVGC-GFCCVEGCSA-N 1 2 293.323 1.867 10 5 CDBELO COCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000786189530 772523774 /nfs/dbraw/zinc/52/37/74/772523774.db2.gz HSYMELLIDZMJOC-CYBMUJFWSA-N 1 2 298.314 1.971 10 5 CDBELO COCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000786189530 772523779 /nfs/dbraw/zinc/52/37/79/772523779.db2.gz HSYMELLIDZMJOC-CYBMUJFWSA-N 1 2 298.314 1.971 10 5 CDBELO O=[N+]([O-])c1cnccc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928276 772886186 /nfs/dbraw/zinc/88/61/86/772886186.db2.gz VXURAIDQQLJFJM-JTQLQIEISA-N 1 2 268.292 1.258 10 5 CDBELO O=[N+]([O-])c1cnccc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928276 772886188 /nfs/dbraw/zinc/88/61/88/772886188.db2.gz VXURAIDQQLJFJM-JTQLQIEISA-N 1 2 268.292 1.258 10 5 CDBELO CCC(=O)NC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001176145709 913953973 /nfs/dbraw/zinc/95/39/73/913953973.db2.gz NFBGVZVGUMLUSU-UHFFFAOYSA-N 1 2 292.339 1.480 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001441373492 964480834 /nfs/dbraw/zinc/48/08/34/964480834.db2.gz RLSKKOFZDCVKLM-VIFPVBQESA-N 1 2 289.295 1.192 10 5 CDBELO O=C(NCCCn1cc[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC001538656204 967066418 /nfs/dbraw/zinc/06/64/18/967066418.db2.gz KNPZPWCLKOIRQT-UHFFFAOYSA-N 1 2 292.270 1.751 10 5 CDBELO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1noc(C)n1 ZINC001459927753 969460691 /nfs/dbraw/zinc/46/06/91/969460691.db2.gz CGIXPJKCLIYXJJ-VIFPVBQESA-N 1 2 280.288 1.224 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000589197045 342500614 /nfs/dbraw/zinc/50/06/14/342500614.db2.gz VNTRMPIUEXHIDJ-CYBMUJFWSA-N 1 2 266.297 1.503 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000589197045 342500615 /nfs/dbraw/zinc/50/06/15/342500615.db2.gz VNTRMPIUEXHIDJ-CYBMUJFWSA-N 1 2 266.297 1.503 10 5 CDBELO C[NH+](C)C1CC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590356274 342537927 /nfs/dbraw/zinc/53/79/27/342537927.db2.gz VZUYQLYXJYPNCL-UHFFFAOYSA-N 1 2 279.296 1.123 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590371315 342538571 /nfs/dbraw/zinc/53/85/71/342538571.db2.gz QJOYNZUIYXGYRO-GFCCVEGCSA-N 1 2 294.307 1.602 10 5 CDBELO COC[C@H]1CC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590371315 342538572 /nfs/dbraw/zinc/53/85/72/342538572.db2.gz QJOYNZUIYXGYRO-GFCCVEGCSA-N 1 2 294.307 1.602 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000299308535 362078680 /nfs/dbraw/zinc/07/86/80/362078680.db2.gz BDHRNPIZVFBYLC-UHFFFAOYSA-N 1 2 289.335 1.823 10 5 CDBELO C[C@@]12COC[C@H]1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595755797 343142225 /nfs/dbraw/zinc/14/22/25/343142225.db2.gz CVEBVGHQDGVPOF-BXUZGUMPSA-N 1 2 278.308 1.769 10 5 CDBELO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595755797 343142227 /nfs/dbraw/zinc/14/22/27/343142227.db2.gz CVEBVGHQDGVPOF-BXUZGUMPSA-N 1 2 278.308 1.769 10 5 CDBELO C[C@@H](O)CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093481085 342428585 /nfs/dbraw/zinc/42/85/85/342428585.db2.gz BWJAGHZHEXJLBA-SECBINFHSA-N 1 2 254.286 1.503 10 5 CDBELO C[C@@H](O)CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093481085 342428586 /nfs/dbraw/zinc/42/85/86/342428586.db2.gz BWJAGHZHEXJLBA-SECBINFHSA-N 1 2 254.286 1.503 10 5 CDBELO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084252 343958017 /nfs/dbraw/zinc/95/80/17/343958017.db2.gz QQNXUTJYSQTETD-MFKMUULPSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084252 343958019 /nfs/dbraw/zinc/95/80/19/343958019.db2.gz QQNXUTJYSQTETD-MFKMUULPSA-N 1 2 293.323 1.232 10 5 CDBELO Cn1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602915763 344648838 /nfs/dbraw/zinc/64/88/38/344648838.db2.gz OTDGJVOKHLOKKC-WDEREUQCSA-N 1 2 266.301 1.082 10 5 CDBELO Cn1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602915763 344648842 /nfs/dbraw/zinc/64/88/42/344648842.db2.gz OTDGJVOKHLOKKC-WDEREUQCSA-N 1 2 266.301 1.082 10 5 CDBELO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000563094490 293271900 /nfs/dbraw/zinc/27/19/00/293271900.db2.gz JPPVVNAYABABNZ-IONNQARKSA-N 1 2 265.269 1.237 10 5 CDBELO [NH3+][C@@]1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOC1 ZINC000085850967 179188087 /nfs/dbraw/zinc/18/80/87/179188087.db2.gz VDWIDONAYXKWQB-LBPRGKRZSA-N 1 2 276.252 1.219 10 5 CDBELO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000194644920 362831173 /nfs/dbraw/zinc/83/11/73/362831173.db2.gz FMJHSXXPVJOTEW-LLVKDONJSA-N 1 2 293.323 1.515 10 5 CDBELO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000194644920 362831179 /nfs/dbraw/zinc/83/11/79/362831179.db2.gz FMJHSXXPVJOTEW-LLVKDONJSA-N 1 2 293.323 1.515 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000572854550 357150307 /nfs/dbraw/zinc/15/03/07/357150307.db2.gz GFQOAEZILLEVQB-SSDOTTSWSA-N 1 2 278.272 1.025 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000294783750 199181239 /nfs/dbraw/zinc/18/12/39/199181239.db2.gz LIUJVESPBASDEZ-ZDUSSCGKSA-N 1 2 296.323 1.187 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294783750 199181240 /nfs/dbraw/zinc/18/12/40/199181240.db2.gz LIUJVESPBASDEZ-ZDUSSCGKSA-N 1 2 296.323 1.187 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCCCO1)CC2 ZINC000408199741 358373712 /nfs/dbraw/zinc/37/37/12/358373712.db2.gz WEBMLIFMWJGJKW-ZDUSSCGKSA-N 1 2 277.324 1.917 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCCCO1)CC2 ZINC000408199741 358373716 /nfs/dbraw/zinc/37/37/16/358373716.db2.gz WEBMLIFMWJGJKW-ZDUSSCGKSA-N 1 2 277.324 1.917 10 5 CDBELO Cc1nc(SC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000567729161 358724487 /nfs/dbraw/zinc/72/44/87/358724487.db2.gz OFLJONSMJAOVIM-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO Cc1nc(SC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000567729161 358724489 /nfs/dbraw/zinc/72/44/89/358724489.db2.gz OFLJONSMJAOVIM-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176417757 360288735 /nfs/dbraw/zinc/28/87/35/360288735.db2.gz JLUXLQRPBVFSPA-JTQLQIEISA-N 1 2 298.343 1.453 10 5 CDBELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176417757 360288737 /nfs/dbraw/zinc/28/87/37/360288737.db2.gz JLUXLQRPBVFSPA-JTQLQIEISA-N 1 2 298.343 1.453 10 5 CDBELO NC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000270617873 366910188 /nfs/dbraw/zinc/91/01/88/366910188.db2.gz JMHDTHHDDXFMTJ-JTQLQIEISA-N 1 2 298.730 1.491 10 5 CDBELO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000270617873 366910197 /nfs/dbraw/zinc/91/01/97/366910197.db2.gz JMHDTHHDDXFMTJ-JTQLQIEISA-N 1 2 298.730 1.491 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094772068 374847339 /nfs/dbraw/zinc/84/73/39/374847339.db2.gz IKASTWDXACREAO-JTQLQIEISA-N 1 2 291.311 1.214 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094772068 374847347 /nfs/dbraw/zinc/84/73/47/374847347.db2.gz IKASTWDXACREAO-JTQLQIEISA-N 1 2 291.311 1.214 10 5 CDBELO O=[N+]([O-])c1cnccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000357039774 391936977 /nfs/dbraw/zinc/93/69/77/391936977.db2.gz ODPZIGXLMVPPJS-UHFFFAOYSA-N 1 2 285.307 1.711 10 5 CDBELO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000422038792 392950781 /nfs/dbraw/zinc/95/07/81/392950781.db2.gz QPZMJGZRNFQUON-SNVBAGLBSA-N 1 2 293.323 1.467 10 5 CDBELO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490057073 393199842 /nfs/dbraw/zinc/19/98/42/393199842.db2.gz SOJRKTPOBGGVDN-NSHDSACASA-N 1 2 298.314 1.971 10 5 CDBELO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490057073 393199846 /nfs/dbraw/zinc/19/98/46/393199846.db2.gz SOJRKTPOBGGVDN-NSHDSACASA-N 1 2 298.314 1.971 10 5 CDBELO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373254385 160186652 /nfs/dbraw/zinc/18/66/52/160186652.db2.gz FKOHRFHPNRMGOE-BXUZGUMPSA-N 1 2 287.319 1.768 10 5 CDBELO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373254385 160186653 /nfs/dbraw/zinc/18/66/53/160186653.db2.gz FKOHRFHPNRMGOE-BXUZGUMPSA-N 1 2 287.319 1.768 10 5 CDBELO O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000375088971 160344079 /nfs/dbraw/zinc/34/40/79/160344079.db2.gz DWQNOEQQANWZAZ-UHFFFAOYSA-N 1 2 291.307 1.221 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000127728753 281013592 /nfs/dbraw/zinc/01/35/92/281013592.db2.gz JCZBPQYTQHDZIB-GFCCVEGCSA-N 1 2 292.339 1.209 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(NN)[nH+]1 ZINC000051118106 525569779 /nfs/dbraw/zinc/56/97/79/525569779.db2.gz IVIYZICLWCSTTO-UHFFFAOYSA-N 1 2 287.279 1.836 10 5 CDBELO COCCO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000189718272 536584190 /nfs/dbraw/zinc/58/41/90/536584190.db2.gz NHVRECBAUAADQE-NSHDSACASA-N 1 2 286.353 1.894 10 5 CDBELO COCCO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000189718272 536584184 /nfs/dbraw/zinc/58/41/84/536584184.db2.gz NHVRECBAUAADQE-NSHDSACASA-N 1 2 286.353 1.894 10 5 CDBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc[nH+]c1 ZINC001637103801 1166725372 /nfs/dbraw/zinc/72/53/72/1166725372.db2.gz SNUUZNOTEHGUDE-UHFFFAOYSA-N 1 2 290.279 1.829 10 5 CDBELO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC001653859025 1171568100 /nfs/dbraw/zinc/56/81/00/1171568100.db2.gz FMWHDVPBDRIMNW-ZDUSSCGKSA-N 1 2 291.282 1.952 10 5 CDBELO C[C@@H]([NH2+][C@H]1CCNC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872086402 777579949 /nfs/dbraw/zinc/57/99/49/777579949.db2.gz WJPBJEYXGJIOPP-APPZFPTMSA-N 1 2 267.260 1.273 10 5 CDBELO C[N@@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000712530666 779086694 /nfs/dbraw/zinc/08/66/94/779086694.db2.gz PPSLVGZACDJSIC-ZETCQYMHSA-N 1 2 256.693 1.759 10 5 CDBELO C[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000712530666 779086702 /nfs/dbraw/zinc/08/67/02/779086702.db2.gz PPSLVGZACDJSIC-ZETCQYMHSA-N 1 2 256.693 1.759 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001557173904 965151674 /nfs/dbraw/zinc/15/16/74/965151674.db2.gz WRRXMFTWFACNGD-LBPRGKRZSA-N 1 2 278.312 1.669 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001557173904 965151685 /nfs/dbraw/zinc/15/16/85/965151685.db2.gz WRRXMFTWFACNGD-LBPRGKRZSA-N 1 2 278.312 1.669 10 5 CDBELO O=C(Cc1c[nH]c[nH+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001446106697 966450122 /nfs/dbraw/zinc/45/01/22/966450122.db2.gz CTMKIRLOERVBBF-UHFFFAOYSA-N 1 2 294.698 1.830 10 5 CDBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC001543796776 967319212 /nfs/dbraw/zinc/31/92/12/967319212.db2.gz JQJZSJUKQGRPIR-UHFFFAOYSA-N 1 2 287.279 1.192 10 5 CDBELO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001454152698 968435924 /nfs/dbraw/zinc/43/59/24/968435924.db2.gz RRINAJMTGVOLRI-NSHDSACASA-N 1 2 287.279 1.248 10 5 CDBELO CCc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c[nH+]1 ZINC001456140553 968870553 /nfs/dbraw/zinc/87/05/53/968870553.db2.gz FILYJCSZIKTGON-UHFFFAOYSA-N 1 2 263.257 1.138 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH+]1 ZINC001456140553 968870565 /nfs/dbraw/zinc/87/05/65/968870565.db2.gz FILYJCSZIKTGON-UHFFFAOYSA-N 1 2 263.257 1.138 10 5 CDBELO Cc1c[nH+]cc(C)c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001537603211 969660652 /nfs/dbraw/zinc/66/06/52/969660652.db2.gz BPBWMHWHUDTKSY-UHFFFAOYSA-N 1 2 289.295 1.254 10 5 CDBELO CC(C)c1[nH]cc(CNc2c([N+](=O)[O-])ncn2C)[nH+]1 ZINC001655892630 1171735840 /nfs/dbraw/zinc/73/58/40/1171735840.db2.gz JAERKLRLCHQCHU-UHFFFAOYSA-N 1 2 264.289 1.787 10 5 CDBELO CC(C)c1[nH]c(CNc2c([N+](=O)[O-])ncn2C)c[nH+]1 ZINC001655892630 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O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]C2 ZINC000601937964 344286888 /nfs/dbraw/zinc/28/68/88/344286888.db2.gz DPYSBRKUDBPPTA-QMMMGPOBSA-N 1 2 294.698 1.560 10 5 CDBELO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609623012 345981139 /nfs/dbraw/zinc/98/11/39/345981139.db2.gz DMQZDDZTXMQURM-UHFFFAOYSA-N 1 2 285.263 1.833 10 5 CDBELO O=[N+]([O-])c1cnccc1NCc1ccn2cc[nH+]c2c1 ZINC000361072333 357792551 /nfs/dbraw/zinc/79/25/51/357792551.db2.gz DECBYQTUPRHZIP-UHFFFAOYSA-N 1 2 269.264 1.672 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)ccc1Cl ZINC000370395801 358123238 /nfs/dbraw/zinc/12/32/38/358123238.db2.gz JCBYUQALCZKRDP-NXEZZACHSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)ccc1Cl ZINC000370395801 358123241 /nfs/dbraw/zinc/12/32/41/358123241.db2.gz JCBYUQALCZKRDP-NXEZZACHSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cc[nH+]c2)nc1 ZINC000267441707 360798726 /nfs/dbraw/zinc/79/87/26/360798726.db2.gz 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ZINC000191096467 373444446 /nfs/dbraw/zinc/44/44/46/373444446.db2.gz UUHRODAHOOSXFC-UHFFFAOYSA-N 1 2 293.323 1.138 10 5 CDBELO CN1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1=O ZINC000191096467 373444454 /nfs/dbraw/zinc/44/44/54/373444454.db2.gz UUHRODAHOOSXFC-UHFFFAOYSA-N 1 2 293.323 1.138 10 5 CDBELO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000331425234 374953903 /nfs/dbraw/zinc/95/39/03/374953903.db2.gz SGVIUFAWGHNAAX-MRVPVSSYSA-N 1 2 290.283 1.029 10 5 CDBELO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000331177641 374903939 /nfs/dbraw/zinc/90/39/39/374903939.db2.gz QGGLEYCLNUVPNE-MWLCHTKSSA-N 1 2 286.353 1.628 10 5 CDBELO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000331177641 374903948 /nfs/dbraw/zinc/90/39/48/374903948.db2.gz QGGLEYCLNUVPNE-MWLCHTKSSA-N 1 2 286.353 1.628 10 5 CDBELO Cc1c(C(=O)N2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000299370729 375166276 /nfs/dbraw/zinc/16/62/76/375166276.db2.gz QXRADSFMQCSOJM-UHFFFAOYSA-N 1 2 289.335 1.823 10 5 CDBELO Cc1ccc(C[NH2+]Cc2cc(C(N)=O)co2)cc1[N+](=O)[O-] ZINC000189428931 391766903 /nfs/dbraw/zinc/76/69/03/391766903.db2.gz COPFKHKJZOGXTM-UHFFFAOYSA-N 1 2 289.291 1.885 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000268674924 132046734 /nfs/dbraw/zinc/04/67/34/132046734.db2.gz KZJFIDXCDSWXAA-NSHDSACASA-N 1 2 277.324 1.647 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000268674924 132046735 /nfs/dbraw/zinc/04/67/35/132046735.db2.gz KZJFIDXCDSWXAA-NSHDSACASA-N 1 2 277.324 1.647 10 5 CDBELO CCOC(=O)[C@H]([NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000044356156 175167340 /nfs/dbraw/zinc/16/73/40/175167340.db2.gz NRPPLWWOIWMYCW-SECBINFHSA-N 1 2 272.688 1.681 10 5 CDBELO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000044465464 175177567 /nfs/dbraw/zinc/17/75/67/175177567.db2.gz LCELQNXMUXZNHU-GXFFZTMASA-N 1 2 288.307 1.126 10 5 CDBELO Cn1cc[nH+]c1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000071275998 176106872 /nfs/dbraw/zinc/10/68/72/176106872.db2.gz DZXAETGNZDOZTN-UHFFFAOYSA-N 1 2 296.233 1.537 10 5 CDBELO COc1cccc(NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC000313449851 260295827 /nfs/dbraw/zinc/29/58/27/260295827.db2.gz YPJOAXARGDGNKF-UHFFFAOYSA-N 1 2 276.296 1.992 10 5 CDBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC000552188504 290057631 /nfs/dbraw/zinc/05/76/31/290057631.db2.gz BFWGXZJUABGFCF-UHFFFAOYSA-N 1 2 288.263 1.194 10 5 CDBELO Cc1c[nH+]c(C)nc1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563418814 316304231 /nfs/dbraw/zinc/30/42/31/316304231.db2.gz UOSOBSIOBYWARA-UHFFFAOYSA-N 1 2 288.307 1.914 10 5 CDBELO C[NH2+][C@H](CCOc1ccc([N+](=O)[O-])c(F)c1)C(=O)OC ZINC000062542199 522461499 /nfs/dbraw/zinc/46/14/99/522461499.db2.gz MWIHQEBJCQLOCG-SNVBAGLBSA-N 1 2 286.259 1.264 10 5 CDBELO Cc1cc(NC(=O)c2cccc(NN)[nH+]2)ccc1[N+](=O)[O-] ZINC000051120224 525252342 /nfs/dbraw/zinc/25/23/42/525252342.db2.gz CXWRRTDWESECEM-UHFFFAOYSA-N 1 2 287.279 1.836 10 5 CDBELO Cc1sc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000045169098 526873242 /nfs/dbraw/zinc/87/32/42/526873242.db2.gz MMHAXALOVDLHIZ-UHFFFAOYSA-N 1 2 294.336 1.981 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)Cc1[nH]c[nH+]c1C ZINC001627385972 1165992472 /nfs/dbraw/zinc/99/24/72/1165992472.db2.gz WLCARXPHMTYDMR-UHFFFAOYSA-N 1 2 289.295 1.849 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1c(F)cccc1[N+](=O)[O-] ZINC001642403093 1167172622 /nfs/dbraw/zinc/17/26/22/1167172622.db2.gz RWIZCFZMZOXWKV-SECBINFHSA-N 1 2 290.254 1.805 10 5 CDBELO Nc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)cccc1[N+](=O)[O-] ZINC001149163758 936842892 /nfs/dbraw/zinc/84/28/92/936842892.db2.gz KJBRCCWRAJJQKD-VIFPVBQESA-N 1 2 287.279 1.248 10 5 CDBELO COC(=O)N(C)CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852568172 927818786 /nfs/dbraw/zinc/81/87/86/927818786.db2.gz VHZAUSYKJNXIBS-UHFFFAOYSA-N 1 2 299.302 1.864 10 5 CDBELO COC(=O)N(C)CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852568172 927818798 /nfs/dbraw/zinc/81/87/98/927818798.db2.gz VHZAUSYKJNXIBS-UHFFFAOYSA-N 1 2 299.302 1.864 10 5 CDBELO C[C@H]1[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719337459 934849632 /nfs/dbraw/zinc/84/96/32/934849632.db2.gz NAVTZAIBUCUVKP-GZMMTYOYSA-N 1 2 279.296 1.123 10 5 CDBELO C[C@H]1[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719337459 934849634 /nfs/dbraw/zinc/84/96/34/934849634.db2.gz NAVTZAIBUCUVKP-GZMMTYOYSA-N 1 2 279.296 1.123 10 5 CDBELO CC(C)(CNc1ccncc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601198412 342489931 /nfs/dbraw/zinc/48/99/31/342489931.db2.gz WZXCBHNPEWVGLZ-UHFFFAOYSA-N 1 2 261.285 1.455 10 5 CDBELO CC1(C)C[NH+](CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565188757 365607767 /nfs/dbraw/zinc/60/77/67/365607767.db2.gz OSMZRPRFFLRUQZ-UHFFFAOYSA-N 1 2 289.335 1.826 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593099789 342766988 /nfs/dbraw/zinc/76/69/88/342766988.db2.gz IQNXSFVAJWQCGX-MKXJDEKUSA-N 1 2 296.348 1.179 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593099789 342766990 /nfs/dbraw/zinc/76/69/90/342766990.db2.gz IQNXSFVAJWQCGX-MKXJDEKUSA-N 1 2 296.348 1.179 10 5 CDBELO C[C@]1(C(F)F)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000595917102 343191195 /nfs/dbraw/zinc/19/11/95/343191195.db2.gz QMLAJZRCHIGWSJ-LLVKDONJSA-N 1 2 290.270 1.147 10 5 CDBELO C[C@]1(C(F)F)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000595917102 343191196 /nfs/dbraw/zinc/19/11/96/343191196.db2.gz QMLAJZRCHIGWSJ-LLVKDONJSA-N 1 2 290.270 1.147 10 5 CDBELO CC(C)[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000598576629 343834249 /nfs/dbraw/zinc/83/42/49/343834249.db2.gz YBQJHJBXPXRJDI-LBPRGKRZSA-N 1 2 293.323 1.370 10 5 CDBELO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598945377 343925546 /nfs/dbraw/zinc/92/55/46/343925546.db2.gz ZYJKKUTUUKBXEW-NSHDSACASA-N 1 2 286.291 1.075 10 5 CDBELO CNC(=O)C1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599067710 343948498 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O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000338364914 359118820 /nfs/dbraw/zinc/11/88/20/359118820.db2.gz HBQOOUOTPSJJMV-BETUJISGSA-N 1 2 264.281 1.194 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000338364914 359118822 /nfs/dbraw/zinc/11/88/22/359118822.db2.gz HBQOOUOTPSJJMV-BETUJISGSA-N 1 2 264.281 1.194 10 5 CDBELO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nncn1C ZINC000037562892 369079854 /nfs/dbraw/zinc/07/98/54/369079854.db2.gz AZHFOJAJCITWKX-SSDOTTSWSA-N 1 2 267.314 1.636 10 5 CDBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])s1 ZINC000371355775 374416404 /nfs/dbraw/zinc/41/64/04/374416404.db2.gz RSMFVHKSGZYWPS-SSDOTTSWSA-N 1 2 292.320 1.667 10 5 CDBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])s1 ZINC000371355775 374416408 /nfs/dbraw/zinc/41/64/08/374416408.db2.gz RSMFVHKSGZYWPS-SSDOTTSWSA-N 1 2 292.320 1.667 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ncnn1C ZINC000276741010 374745804 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O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)cs1 ZINC001654629451 1171627284 /nfs/dbraw/zinc/62/72/84/1171627284.db2.gz FPRVZUHSWOTTQY-MRVPVSSYSA-N 1 2 280.313 1.159 10 5 CDBELO Cc1c(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000619221290 349656118 /nfs/dbraw/zinc/65/61/18/349656118.db2.gz YQZHMFJBVVSDEV-UHFFFAOYSA-N 1 2 290.323 1.974 10 5 CDBELO Cc1c(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000619221290 349656122 /nfs/dbraw/zinc/65/61/22/349656122.db2.gz YQZHMFJBVVSDEV-UHFFFAOYSA-N 1 2 290.323 1.974 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826434 343167019 /nfs/dbraw/zinc/16/70/19/343167019.db2.gz BPHXDYGXDPYGLK-PWSUYJOCSA-N 1 2 278.308 1.769 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826434 343167020 /nfs/dbraw/zinc/16/70/20/343167020.db2.gz BPHXDYGXDPYGLK-PWSUYJOCSA-N 1 2 278.308 1.769 10 5 CDBELO C[N@H+](CCN1CCCC1=O)Cc1csc([N+](=O)[O-])c1 ZINC000609578233 345816650 /nfs/dbraw/zinc/81/66/50/345816650.db2.gz 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ZINC000175318467 364381174 /nfs/dbraw/zinc/38/11/74/364381174.db2.gz KUOJGQDQGROGRM-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000182129496 365073024 /nfs/dbraw/zinc/07/30/24/365073024.db2.gz MTMPXFQANFNRGW-SNVBAGLBSA-N 1 2 295.339 1.761 10 5 CDBELO O=C(NCc1c[nH+]c[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000076041921 366956275 /nfs/dbraw/zinc/95/62/75/366956275.db2.gz PFRLCLXDNJYSET-UHFFFAOYSA-N 1 2 261.241 1.640 10 5 CDBELO O=C(NCc1c[nH]c[nH+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000076041921 366956279 /nfs/dbraw/zinc/95/62/79/366956279.db2.gz PFRLCLXDNJYSET-UHFFFAOYSA-N 1 2 261.241 1.640 10 5 CDBELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000194735996 375956936 /nfs/dbraw/zinc/95/69/36/375956936.db2.gz QUWRCRFUQXLQRW-GFCCVEGCSA-N 1 2 294.311 1.047 10 5 CDBELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000194735996 375956941 /nfs/dbraw/zinc/95/69/41/375956941.db2.gz QUWRCRFUQXLQRW-GFCCVEGCSA-N 1 2 294.311 1.047 10 5 CDBELO C[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1C ZINC000279327764 194385578 /nfs/dbraw/zinc/38/55/78/194385578.db2.gz GXFYLKWRLJDWPT-UWVGGRQHSA-N 1 2 293.323 1.969 10 5 CDBELO C[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[N@H+]1C ZINC000279327764 194385579 /nfs/dbraw/zinc/38/55/79/194385579.db2.gz GXFYLKWRLJDWPT-UWVGGRQHSA-N 1 2 293.323 1.969 10 5 CDBELO CN1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)CCC1=O ZINC000516660184 390966166 /nfs/dbraw/zinc/96/61/66/390966166.db2.gz OSDFGQQFTGLJOL-JTQLQIEISA-N 1 2 283.353 1.709 10 5 CDBELO CN1C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)CCC1=O ZINC000516660184 390966167 /nfs/dbraw/zinc/96/61/67/390966167.db2.gz OSDFGQQFTGLJOL-JTQLQIEISA-N 1 2 283.353 1.709 10 5 CDBELO CN(C)c1[nH+]cccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000526942700 392972170 /nfs/dbraw/zinc/97/21/70/392972170.db2.gz XEAFTRWQQUANBW-UHFFFAOYSA-N 1 2 287.279 1.703 10 5 CDBELO CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000390001512 393127310 /nfs/dbraw/zinc/12/73/10/393127310.db2.gz PXIMDTYHQZVTTG-JTQLQIEISA-N 1 2 279.296 1.124 10 5 CDBELO CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000390001512 393127313 /nfs/dbraw/zinc/12/73/13/393127313.db2.gz PXIMDTYHQZVTTG-JTQLQIEISA-N 1 2 279.296 1.124 10 5 CDBELO Cc1c(C[N@@H+]2CCCNC(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000189330253 140112724 /nfs/dbraw/zinc/11/27/24/140112724.db2.gz MCUKTJFWYRGTQC-LLVKDONJSA-N 1 2 277.324 1.614 10 5 CDBELO Cc1c(C[N@H+]2CCCNC(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000189330253 140112725 /nfs/dbraw/zinc/11/27/25/140112725.db2.gz MCUKTJFWYRGTQC-LLVKDONJSA-N 1 2 277.324 1.614 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(NCCn2cc[nH+]c2)n1 ZINC000359082767 158121742 /nfs/dbraw/zinc/12/17/42/158121742.db2.gz MKPHAOSIQVEZDE-UHFFFAOYSA-N 1 2 261.285 1.915 10 5 CDBELO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000359475566 158258802 /nfs/dbraw/zinc/25/88/02/158258802.db2.gz AKKCIOZTWBFNSH-UHFFFAOYSA-N 1 2 275.268 1.260 10 5 CDBELO CNC(=O)C1C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000285200332 196220196 /nfs/dbraw/zinc/22/01/96/196220196.db2.gz WPQUCGJHAMOGML-UHFFFAOYSA-N 1 2 283.715 1.426 10 5 CDBELO C[NH+]1CCN(C(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000037247983 173060052 /nfs/dbraw/zinc/06/00/52/173060052.db2.gz AEPSPZZCDKSSQR-UHFFFAOYSA-N 1 2 267.260 1.122 10 5 CDBELO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000548406045 289880275 /nfs/dbraw/zinc/88/02/75/289880275.db2.gz JWCKMDRUWDWXLG-VIFPVBQESA-N 1 2 275.268 1.594 10 5 CDBELO CCCNC(=O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815984 519874397 /nfs/dbraw/zinc/87/43/97/519874397.db2.gz VFBROKVYFZCXFH-UHFFFAOYSA-N 1 2 280.328 1.135 10 5 CDBELO CCCNC(=O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815984 519874399 /nfs/dbraw/zinc/87/43/99/519874399.db2.gz VFBROKVYFZCXFH-UHFFFAOYSA-N 1 2 280.328 1.135 10 5 CDBELO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817131 520473052 /nfs/dbraw/zinc/47/30/52/520473052.db2.gz GEJDDSOMQYCGKP-UHFFFAOYSA-N 1 2 294.355 1.477 10 5 CDBELO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817131 520473063 /nfs/dbraw/zinc/47/30/63/520473063.db2.gz GEJDDSOMQYCGKP-UHFFFAOYSA-N 1 2 294.355 1.477 10 5 CDBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2CCO)c1 ZINC000762338343 576640491 /nfs/dbraw/zinc/64/04/91/576640491.db2.gz NZHCBICFMPWCJZ-ZDUSSCGKSA-N 1 2 296.323 1.057 10 5 CDBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2CCO)c1 ZINC000762338343 576640492 /nfs/dbraw/zinc/64/04/92/576640492.db2.gz NZHCBICFMPWCJZ-ZDUSSCGKSA-N 1 2 296.323 1.057 10 5 CDBELO Cn1c[nH+]cc1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000811846619 1163550530 /nfs/dbraw/zinc/55/05/30/1163550530.db2.gz WUAWEHARXBHTER-UHFFFAOYSA-N 1 2 272.268 1.588 10 5 CDBELO O=C(c1ccccc1[N+](=O)[O-])N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001628237434 1166054944 /nfs/dbraw/zinc/05/49/44/1166054944.db2.gz ZPCAUXHMYKAPKP-QWRGUYRKSA-N 1 2 293.298 1.463 10 5 CDBELO O=C(c1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001628237434 1166054946 /nfs/dbraw/zinc/05/49/46/1166054946.db2.gz ZPCAUXHMYKAPKP-QWRGUYRKSA-N 1 2 293.298 1.463 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001637127234 1166726376 /nfs/dbraw/zinc/72/63/76/1166726376.db2.gz TVDLRXFKGGKSQJ-UHFFFAOYSA-N 1 2 290.279 1.185 10 5 CDBELO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCc1[nH]cc[nH+]1 ZINC001565777393 1168168033 /nfs/dbraw/zinc/16/80/33/1168168033.db2.gz LABPSBWAEJKFSK-UHFFFAOYSA-N 1 2 292.270 1.358 10 5 CDBELO Cn1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001648593994 1169140546 /nfs/dbraw/zinc/14/05/46/1169140546.db2.gz HVYBCSWZCYFVCO-AWEZNQCLSA-N 1 2 290.323 1.494 10 5 CDBELO Cn1ccc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001648593994 1169140552 /nfs/dbraw/zinc/14/05/52/1169140552.db2.gz HVYBCSWZCYFVCO-AWEZNQCLSA-N 1 2 290.323 1.494 10 5 CDBELO C[C@H]1COCC[N@@H+]1CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001653495371 1171546609 /nfs/dbraw/zinc/54/66/09/1171546609.db2.gz ZLUBEYXFCNXBSQ-LBPRGKRZSA-N 1 2 291.351 1.631 10 5 CDBELO C[C@H]1COCC[N@H+]1CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001653495371 1171546613 /nfs/dbraw/zinc/54/66/13/1171546613.db2.gz ZLUBEYXFCNXBSQ-LBPRGKRZSA-N 1 2 291.351 1.631 10 5 CDBELO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001654085887 1171591013 /nfs/dbraw/zinc/59/10/13/1171591013.db2.gz VDCMRXQWMKEDSS-SNVBAGLBSA-N 1 2 296.302 1.237 10 5 CDBELO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001654085887 1171591016 /nfs/dbraw/zinc/59/10/16/1171591016.db2.gz VDCMRXQWMKEDSS-SNVBAGLBSA-N 1 2 296.302 1.237 10 5 CDBELO Nc1cc(COC(=O)c2ccc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000792022098 783720069 /nfs/dbraw/zinc/72/00/69/783720069.db2.gz VVPOVMSVXGXTLR-UHFFFAOYSA-N 1 2 274.236 1.324 10 5 CDBELO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814036078 784046495 /nfs/dbraw/zinc/04/64/95/784046495.db2.gz GHIRSMHLENCYIS-AAEUAGOBSA-N 1 2 280.324 1.888 10 5 CDBELO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814036078 784046502 /nfs/dbraw/zinc/04/65/02/784046502.db2.gz GHIRSMHLENCYIS-AAEUAGOBSA-N 1 2 280.324 1.888 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cn1 ZINC000857981642 784251587 /nfs/dbraw/zinc/25/15/87/784251587.db2.gz AGSQWJPDCAUKNQ-VIFPVBQESA-N 1 2 273.252 1.061 10 5 CDBELO CC[N@H+](CCNC(C)=O)Cc1csc([N+](=O)[O-])c1 ZINC001317475080 956595380 /nfs/dbraw/zinc/59/53/80/956595380.db2.gz HKJJSEKPWXSBHS-UHFFFAOYSA-N 1 2 271.342 1.614 10 5 CDBELO CC[N@@H+](CCNC(C)=O)Cc1csc([N+](=O)[O-])c1 ZINC001317475080 956595383 /nfs/dbraw/zinc/59/53/83/956595383.db2.gz HKJJSEKPWXSBHS-UHFFFAOYSA-N 1 2 271.342 1.614 10 5 CDBELO CC(C)(CCC(=O)OCC(C)(C)n1cc[nH+]c1)[N+](=O)[O-] ZINC001345250663 964645645 /nfs/dbraw/zinc/64/56/45/964645645.db2.gz FDJUEBRVPOUKNW-UHFFFAOYSA-N 1 2 283.328 1.997 10 5 CDBELO Cc1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001543546744 967307507 /nfs/dbraw/zinc/30/75/07/967307507.db2.gz WQYPXTNBZXVXBZ-CYBMUJFWSA-N 1 2 287.275 1.392 10 5 CDBELO Cc1cc(N)nc(SCc2cn(C)nc2[N+](=O)[O-])[nH+]1 ZINC001458856852 969359256 /nfs/dbraw/zinc/35/92/56/969359256.db2.gz GREBGFRNYMTXMP-UHFFFAOYSA-N 1 2 280.313 1.301 10 5 CDBELO Cn1cc(C[NH2+][C@@H](CCO)c2ccco2)c([N+](=O)[O-])n1 ZINC001654248260 1171599056 /nfs/dbraw/zinc/59/90/56/1171599056.db2.gz BZQOHNAZDXIUIY-JTQLQIEISA-N 1 2 280.284 1.135 10 5 CDBELO CC(C)(CNc1ncc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000601099670 342463871 /nfs/dbraw/zinc/46/38/71/342463871.db2.gz DPKHEQSKJZLFQN-UHFFFAOYSA-N 1 2 298.318 1.652 10 5 CDBELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586779797 342468777 /nfs/dbraw/zinc/46/87/77/342468777.db2.gz ARZKVERGSFCDTI-UHFFFAOYSA-N 1 2 272.224 1.218 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCOCC2)c1 ZINC000589496080 342507926 /nfs/dbraw/zinc/50/79/26/342507926.db2.gz PDYINUUCLVXQDN-UHFFFAOYSA-N 1 2 294.307 1.604 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCOCC2)c1 ZINC000589496080 342507927 /nfs/dbraw/zinc/50/79/27/342507927.db2.gz PDYINUUCLVXQDN-UHFFFAOYSA-N 1 2 294.307 1.604 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)C1CCC1 ZINC000594956294 342983291 /nfs/dbraw/zinc/98/32/91/342983291.db2.gz JAPUAJBNZKUQPN-LBPRGKRZSA-N 1 2 266.297 1.551 10 5 CDBELO C[C@H](O)CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093481084 342428673 /nfs/dbraw/zinc/42/86/73/342428673.db2.gz BWJAGHZHEXJLBA-VIFPVBQESA-N 1 2 254.286 1.503 10 5 CDBELO C[C@H](O)CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093481084 342428674 /nfs/dbraw/zinc/42/86/74/342428674.db2.gz BWJAGHZHEXJLBA-VIFPVBQESA-N 1 2 254.286 1.503 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1CO ZINC000092455566 342412544 /nfs/dbraw/zinc/41/25/44/342412544.db2.gz TVGJGJPSEIRUDS-JTQLQIEISA-N 1 2 252.270 1.257 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1CO ZINC000092455566 342412545 /nfs/dbraw/zinc/41/25/45/342412545.db2.gz TVGJGJPSEIRUDS-JTQLQIEISA-N 1 2 252.270 1.257 10 5 CDBELO CCNC(=O)CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599023667 343941376 /nfs/dbraw/zinc/94/13/76/343941376.db2.gz JJEIYIIAOZPBDG-UHFFFAOYSA-N 1 2 288.307 1.715 10 5 CDBELO Cc1cc([N+](=O)[O-])cn(Cc2[nH+]cc(Cl)n2C)c1=O ZINC000127181414 187288277 /nfs/dbraw/zinc/28/82/77/187288277.db2.gz RAMXLVNMYVYKGD-UHFFFAOYSA-N 1 2 282.687 1.500 10 5 CDBELO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614271687 348051609 /nfs/dbraw/zinc/05/16/09/348051609.db2.gz ROPLJLIWLWDBCB-SNVBAGLBSA-N 1 2 279.296 1.723 10 5 CDBELO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614271687 348051611 /nfs/dbraw/zinc/05/16/11/348051611.db2.gz ROPLJLIWLWDBCB-SNVBAGLBSA-N 1 2 279.296 1.723 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000112012881 359278685 /nfs/dbraw/zinc/27/86/85/359278685.db2.gz MFQZMJWXBFNLFI-SNVBAGLBSA-N 1 2 251.286 1.337 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000112012881 359278688 /nfs/dbraw/zinc/27/86/88/359278688.db2.gz MFQZMJWXBFNLFI-SNVBAGLBSA-N 1 2 251.286 1.337 10 5 CDBELO CN(Cc1ccc(N)[nH+]c1)c1ncccc1[N+](=O)[O-] ZINC000135982759 360209175 /nfs/dbraw/zinc/20/91/75/360209175.db2.gz UAVIFPLFDIZDEP-UHFFFAOYSA-N 1 2 259.269 1.603 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)[C@@H]1C ZINC000183309223 391260974 /nfs/dbraw/zinc/26/09/74/391260974.db2.gz XTBAOEVAFDVONS-JTQLQIEISA-N 1 2 263.297 1.224 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)[C@@H]1C ZINC000183309223 391260977 /nfs/dbraw/zinc/26/09/77/391260977.db2.gz XTBAOEVAFDVONS-JTQLQIEISA-N 1 2 263.297 1.224 10 5 CDBELO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000399204860 391655560 /nfs/dbraw/zinc/65/55/60/391655560.db2.gz AIYKFEMDSQWETN-GHMZBOCLSA-N 1 2 293.323 1.379 10 5 CDBELO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000399204860 391655563 /nfs/dbraw/zinc/65/55/63/391655563.db2.gz AIYKFEMDSQWETN-GHMZBOCLSA-N 1 2 293.323 1.379 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000349972851 154292637 /nfs/dbraw/zinc/29/26/37/154292637.db2.gz UDYVGSPDSUGGGG-RISCZKNCSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000349972851 154292641 /nfs/dbraw/zinc/29/26/41/154292641.db2.gz UDYVGSPDSUGGGG-RISCZKNCSA-N 1 2 280.324 1.485 10 5 CDBELO COC(=O)[C@@H]([NH3+])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000044330575 175163423 /nfs/dbraw/zinc/16/34/23/175163423.db2.gz WLAIDLIMIUQNDA-QMMMGPOBSA-N 1 2 258.661 1.291 10 5 CDBELO CC(C)NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153302442 289164029 /nfs/dbraw/zinc/16/40/29/289164029.db2.gz NVEONVDIBINVQW-UHFFFAOYSA-N 1 2 277.324 1.478 10 5 CDBELO CC(C)NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153302442 289164032 /nfs/dbraw/zinc/16/40/32/289164032.db2.gz NVEONVDIBINVQW-UHFFFAOYSA-N 1 2 277.324 1.478 10 5 CDBELO Cc1nc(N)c(CNC(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000552183167 290057497 /nfs/dbraw/zinc/05/74/97/290057497.db2.gz BVQXFERYEALVFZ-UHFFFAOYSA-N 1 2 287.279 1.036 10 5 CDBELO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000554879060 290195931 /nfs/dbraw/zinc/19/59/31/290195931.db2.gz LDDKILNVDQOZBG-UHFFFAOYSA-N 1 2 290.283 1.061 10 5 CDBELO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000554879060 290195932 /nfs/dbraw/zinc/19/59/32/290195932.db2.gz LDDKILNVDQOZBG-UHFFFAOYSA-N 1 2 290.283 1.061 10 5 CDBELO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339207445 520675582 /nfs/dbraw/zinc/67/55/82/520675582.db2.gz RCDUJRHPZXYCBD-GFCCVEGCSA-N 1 2 266.297 1.646 10 5 CDBELO CC1(C)[C@H](O)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339207445 520675590 /nfs/dbraw/zinc/67/55/90/520675590.db2.gz RCDUJRHPZXYCBD-GFCCVEGCSA-N 1 2 266.297 1.646 10 5 CDBELO CC[C@@H]1C[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050813687 523453496 /nfs/dbraw/zinc/45/34/96/523453496.db2.gz UFYPAEMQAIZDFV-LLVKDONJSA-N 1 2 265.313 1.788 10 5 CDBELO CC[C@@H]1C[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050813687 523453501 /nfs/dbraw/zinc/45/35/01/523453501.db2.gz UFYPAEMQAIZDFV-LLVKDONJSA-N 1 2 265.313 1.788 10 5 CDBELO C[NH+]1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000234343881 536343407 /nfs/dbraw/zinc/34/34/07/536343407.db2.gz VAICQEBSRAUGKH-UHFFFAOYSA-N 1 2 279.296 1.124 10 5 CDBELO Cc1c(C[NH2+][C@H](C)c2nnnn2C)cccc1[N+](=O)[O-] ZINC001655805648 1171725211 /nfs/dbraw/zinc/72/52/11/1171725211.db2.gz WRPBZPJGTGJSFU-SECBINFHSA-N 1 2 276.300 1.278 10 5 CDBELO CCC/C=C/CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001699712136 1176581072 /nfs/dbraw/zinc/58/10/72/1176581072.db2.gz IABJNTUPGXUOBM-QAMKJQMISA-N 1 2 295.383 1.541 10 5 CDBELO [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236311044 1178257814 /nfs/dbraw/zinc/25/78/14/1178257814.db2.gz VVFPUHKFTNJNFD-NXEZZACHSA-N 1 2 279.296 1.756 10 5 CDBELO O=C(Cc1ccccc1[N+](=O)[O-])O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241692 790822010 /nfs/dbraw/zinc/82/20/10/790822010.db2.gz RSGSVBMSVYMZAV-GFCCVEGCSA-N 1 2 296.298 1.724 10 5 CDBELO O=C(Cc1ccccc1[N+](=O)[O-])O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241692 790822012 /nfs/dbraw/zinc/82/20/12/790822012.db2.gz RSGSVBMSVYMZAV-GFCCVEGCSA-N 1 2 296.298 1.724 10 5 CDBELO C[C@H](C(N)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000711131370 791855525 /nfs/dbraw/zinc/85/55/25/791855525.db2.gz YTYCDYVUUKYNMI-SSDOTTSWSA-N 1 2 255.249 1.040 10 5 CDBELO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000711131370 791855529 /nfs/dbraw/zinc/85/55/29/791855529.db2.gz YTYCDYVUUKYNMI-SSDOTTSWSA-N 1 2 255.249 1.040 10 5 CDBELO CCn1ncc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000858445060 792104893 /nfs/dbraw/zinc/10/48/93/792104893.db2.gz ZHMACZWCGNQWEJ-CYBMUJFWSA-N 1 2 287.323 1.983 10 5 CDBELO [NH3+][C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000724728404 793511874 /nfs/dbraw/zinc/51/18/74/793511874.db2.gz UUKRHDNQJTYIGO-VIFPVBQESA-N 1 2 273.239 1.194 10 5 CDBELO CC(C)c1nnc(CC2CC[NH+](CC[N+](=O)[O-])CC2)[nH]1 ZINC000930843466 794256820 /nfs/dbraw/zinc/25/68/20/794256820.db2.gz VBGOFNMBQJXRCI-UHFFFAOYSA-N 1 2 281.360 1.459 10 5 CDBELO CC(C)c1nc(CC2CC[NH+](CC[N+](=O)[O-])CC2)n[nH]1 ZINC000930843466 794256833 /nfs/dbraw/zinc/25/68/33/794256833.db2.gz VBGOFNMBQJXRCI-UHFFFAOYSA-N 1 2 281.360 1.459 10 5 CDBELO Cc1nn(Cc2[nH+]ccn2CC(F)F)c(C)c1[N+](=O)[O-] ZINC000871624036 795818566 /nfs/dbraw/zinc/81/85/66/795818566.db2.gz RLZBMGGCJHECML-UHFFFAOYSA-N 1 2 285.254 1.918 10 5 CDBELO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872089867 796113304 /nfs/dbraw/zinc/11/33/04/796113304.db2.gz GSKNGJBMVRXFFR-RKDXNWHRSA-N 1 2 299.302 1.793 10 5 CDBELO C[S@](=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000828499061 796376052 /nfs/dbraw/zinc/37/60/52/796376052.db2.gz MSQBFOOMIGHMMO-SFHVURJKSA-N 1 2 268.338 1.331 10 5 CDBELO C[S@](=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000828499061 796376054 /nfs/dbraw/zinc/37/60/54/796376054.db2.gz MSQBFOOMIGHMMO-SFHVURJKSA-N 1 2 268.338 1.331 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cs1 ZINC000782609701 898133369 /nfs/dbraw/zinc/13/33/69/898133369.db2.gz PMNUQUXBTUPNBX-GXSJLCMTSA-N 1 2 254.311 1.471 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cs1 ZINC000782609701 898133374 /nfs/dbraw/zinc/13/33/74/898133374.db2.gz PMNUQUXBTUPNBX-GXSJLCMTSA-N 1 2 254.311 1.471 10 5 CDBELO C[NH+](C)Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])o2)co1 ZINC001647845860 1169067757 /nfs/dbraw/zinc/06/77/57/1169067757.db2.gz IFVJPPIBDGQNNW-UHFFFAOYSA-N 1 2 294.267 1.167 10 5 CDBELO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001294284384 954485708 /nfs/dbraw/zinc/48/57/08/954485708.db2.gz UHQQSSXWZVHEFW-UHFFFAOYSA-N 1 2 275.268 1.139 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001436619514 962318913 /nfs/dbraw/zinc/31/89/13/962318913.db2.gz HLLKPKZGSUHFQT-UHFFFAOYSA-N 1 2 274.280 1.301 10 5 CDBELO Nc1[nH+]ccc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001470907143 970379113 /nfs/dbraw/zinc/37/91/13/970379113.db2.gz OGGFLKUTMQQUMB-UHFFFAOYSA-N 1 2 298.302 1.771 10 5 CDBELO Cn1cnc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601148480 342482174 /nfs/dbraw/zinc/48/21/74/342482174.db2.gz CIBBMYTXYSAIEE-AWEZNQCLSA-N 1 2 290.323 1.326 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c(Cl)c1 ZINC000611784920 346875219 /nfs/dbraw/zinc/87/52/19/346875219.db2.gz ORWDALANAWBWIN-PHIMTYICSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(Cl)c1 ZINC000611784920 346875220 /nfs/dbraw/zinc/87/52/20/346875220.db2.gz ORWDALANAWBWIN-PHIMTYICSA-N 1 2 286.715 1.176 10 5 CDBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595741368 343136330 /nfs/dbraw/zinc/13/63/30/343136330.db2.gz NBMFQDGWTCXNMO-SNVBAGLBSA-N 1 2 272.326 1.504 10 5 CDBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595741368 343136331 /nfs/dbraw/zinc/13/63/31/343136331.db2.gz NBMFQDGWTCXNMO-SNVBAGLBSA-N 1 2 272.326 1.504 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1CO ZINC000092470684 342412943 /nfs/dbraw/zinc/41/29/43/342412943.db2.gz TVGJGJPSEIRUDS-SNVBAGLBSA-N 1 2 252.270 1.257 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000092470684 342412944 /nfs/dbraw/zinc/41/29/44/342412944.db2.gz TVGJGJPSEIRUDS-SNVBAGLBSA-N 1 2 252.270 1.257 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943833 343924547 /nfs/dbraw/zinc/92/45/47/343924547.db2.gz IHMOVNGPGCKRKR-SNVBAGLBSA-N 1 2 286.291 1.454 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000599159898 343970251 /nfs/dbraw/zinc/97/02/51/343970251.db2.gz GXHUYFSPOBEVBI-JTQLQIEISA-N 1 2 251.286 1.337 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000599159898 343970253 /nfs/dbraw/zinc/97/02/53/343970253.db2.gz GXHUYFSPOBEVBI-JTQLQIEISA-N 1 2 251.286 1.337 10 5 CDBELO O=[N+]([O-])c1cc(CN2CCc3[nH+]c[nH]c3C2)cs1 ZINC000599429137 344056037 /nfs/dbraw/zinc/05/60/37/344056037.db2.gz HKGJINKIEFKMMG-UHFFFAOYSA-N 1 2 264.310 1.938 10 5 CDBELO C[C@H](Cn1cccn1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000343271402 362472368 /nfs/dbraw/zinc/47/23/68/362472368.db2.gz HHXFUVAIYSGVLL-SNVBAGLBSA-N 1 2 276.296 1.675 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000091673769 180224167 /nfs/dbraw/zinc/22/41/67/180224167.db2.gz GDHPUYAUARRJLR-SECBINFHSA-N 1 2 285.731 1.991 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000091673769 180224169 /nfs/dbraw/zinc/22/41/69/180224169.db2.gz GDHPUYAUARRJLR-SECBINFHSA-N 1 2 285.731 1.991 10 5 CDBELO C[NH+](C)C1CC(NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000619879616 350869426 /nfs/dbraw/zinc/86/94/26/350869426.db2.gz KWBVIKJPMLRFPY-UHFFFAOYSA-N 1 2 279.296 1.123 10 5 CDBELO C[C@@H](O)[C@@H](C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276334678 351312616 /nfs/dbraw/zinc/31/26/16/351312616.db2.gz HHOYDZOLYAJDOR-NXEZZACHSA-N 1 2 266.297 1.427 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000153024009 188059603 /nfs/dbraw/zinc/05/96/03/188059603.db2.gz QWOWXNHZGRPNHC-GFCCVEGCSA-N 1 2 295.339 1.008 10 5 CDBELO COc1cccc(NC[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185169837 357517159 /nfs/dbraw/zinc/51/71/59/357517159.db2.gz QNAOZBRJFFJCBT-NSHDSACASA-N 1 2 295.339 1.736 10 5 CDBELO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000408076436 357814749 /nfs/dbraw/zinc/81/47/49/357814749.db2.gz IYNFNTMRIMHCLR-NXEZZACHSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000408076436 357814753 /nfs/dbraw/zinc/81/47/53/357814753.db2.gz IYNFNTMRIMHCLR-NXEZZACHSA-N 1 2 293.323 1.465 10 5 CDBELO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339076680 292839113 /nfs/dbraw/zinc/83/91/13/292839113.db2.gz ZEEPSBAHEBWLIP-GFCCVEGCSA-N 1 2 266.297 1.815 10 5 CDBELO CN(C)c1[nH+]cccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000302120978 201350091 /nfs/dbraw/zinc/35/00/91/201350091.db2.gz UGYUQNHXZATXII-UHFFFAOYSA-N 1 2 274.284 1.458 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000414568652 241263093 /nfs/dbraw/zinc/26/30/93/241263093.db2.gz HRKZVGXIBGQSGD-RISCZKNCSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000414568652 241263098 /nfs/dbraw/zinc/26/30/98/241263098.db2.gz HRKZVGXIBGQSGD-RISCZKNCSA-N 1 2 280.324 1.485 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](OCCO)C2)cs1 ZINC000172292202 377421112 /nfs/dbraw/zinc/42/11/12/377421112.db2.gz IZLSZJJDRVCOOX-LLVKDONJSA-N 1 2 286.353 1.630 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)cs1 ZINC000172292202 377421114 /nfs/dbraw/zinc/42/11/14/377421114.db2.gz IZLSZJJDRVCOOX-LLVKDONJSA-N 1 2 286.353 1.630 10 5 CDBELO O=C1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000266900314 378499843 /nfs/dbraw/zinc/49/98/43/378499843.db2.gz HXNCCOAVZCZWKE-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO O=C1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000266900314 378499849 /nfs/dbraw/zinc/49/98/49/378499849.db2.gz HXNCCOAVZCZWKE-UHFFFAOYSA-N 1 2 283.715 1.570 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421020807 392926143 /nfs/dbraw/zinc/92/61/43/392926143.db2.gz NTPSEYMTXUZJJR-AWEZNQCLSA-N 1 2 278.308 1.968 10 5 CDBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421020807 392926146 /nfs/dbraw/zinc/92/61/46/392926146.db2.gz NTPSEYMTXUZJJR-AWEZNQCLSA-N 1 2 278.308 1.968 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421362455 392932647 /nfs/dbraw/zinc/93/26/47/392932647.db2.gz NJPXHWQWSRKKLV-CQSZACIVSA-N 1 2 294.351 1.875 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000421362455 392932653 /nfs/dbraw/zinc/93/26/53/392932653.db2.gz NJPXHWQWSRKKLV-CQSZACIVSA-N 1 2 294.351 1.875 10 5 CDBELO CC[N@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000227880794 140187961 /nfs/dbraw/zinc/18/79/61/140187961.db2.gz DTOGSUNFZPXPLL-UHFFFAOYSA-N 1 2 293.323 1.515 10 5 CDBELO CC[N@@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000227880794 140187963 /nfs/dbraw/zinc/18/79/63/140187963.db2.gz DTOGSUNFZPXPLL-UHFFFAOYSA-N 1 2 293.323 1.515 10 5 CDBELO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CSC[NH2+]1 ZINC000035679051 172349563 /nfs/dbraw/zinc/34/95/63/172349563.db2.gz GAQZETFULXDPPW-VIFPVBQESA-N 1 2 271.273 1.335 10 5 CDBELO CCCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153088698 289156438 /nfs/dbraw/zinc/15/64/38/289156438.db2.gz QVLRBAKKMMRJSI-LLVKDONJSA-N 1 2 291.351 1.868 10 5 CDBELO CCCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153088698 289156442 /nfs/dbraw/zinc/15/64/42/289156442.db2.gz QVLRBAKKMMRJSI-LLVKDONJSA-N 1 2 291.351 1.868 10 5 CDBELO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cn1 ZINC000556794813 290299326 /nfs/dbraw/zinc/29/93/26/290299326.db2.gz PWOOJNQISHKAER-UHFFFAOYSA-N 1 2 283.247 1.890 10 5 CDBELO CCOC(=O)[C@H](CCOc1cccc([N+](=O)[O-])c1)[NH2+]C ZINC000062539271 521248166 /nfs/dbraw/zinc/24/81/66/521248166.db2.gz BYBUAMKZLLPDOC-LBPRGKRZSA-N 1 2 282.296 1.515 10 5 CDBELO C[NH2+][C@@H](CCOc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000062540489 522350031 /nfs/dbraw/zinc/35/00/31/522350031.db2.gz WCTVTNOGSALNSW-JTQLQIEISA-N 1 2 282.296 1.433 10 5 CDBELO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050813689 523449044 /nfs/dbraw/zinc/44/90/44/523449044.db2.gz KDSOYCCGKNNCDN-GFCCVEGCSA-N 1 2 265.313 1.788 10 5 CDBELO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)CCO1 ZINC000050813689 523449051 /nfs/dbraw/zinc/44/90/51/523449051.db2.gz KDSOYCCGKNNCDN-GFCCVEGCSA-N 1 2 265.313 1.788 10 5 CDBELO C[N@@H+](Cc1ncccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001620536505 1165656975 /nfs/dbraw/zinc/65/69/75/1165656975.db2.gz WZTMRKZJGOTKNG-ZDUSSCGKSA-N 1 2 288.307 1.550 10 5 CDBELO C[N@H+](Cc1ncccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001620536505 1165656980 /nfs/dbraw/zinc/65/69/80/1165656980.db2.gz WZTMRKZJGOTKNG-ZDUSSCGKSA-N 1 2 288.307 1.550 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1nnnn1C ZINC001620646010 1165664165 /nfs/dbraw/zinc/66/41/65/1165664165.db2.gz NYGYHXIEUFZTEP-UWVGGRQHSA-N 1 2 290.327 1.839 10 5 CDBELO COCC[N@H+](CCF)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852482679 797831680 /nfs/dbraw/zinc/83/16/80/797831680.db2.gz KBVVRBURZVPSHM-ZDUSSCGKSA-N 1 2 286.303 1.546 10 5 CDBELO COCC[N@@H+](CCF)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852482679 797831687 /nfs/dbraw/zinc/83/16/87/797831687.db2.gz KBVVRBURZVPSHM-ZDUSSCGKSA-N 1 2 286.303 1.546 10 5 CDBELO CCn1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000838987970 798031297 /nfs/dbraw/zinc/03/12/97/798031297.db2.gz YWIMDJHWGVZGAI-UHFFFAOYSA-N 1 2 261.285 1.496 10 5 CDBELO Cn1c[nH+]c(CCNc2ccc(N)cc2[N+](=O)[O-])c1 ZINC000840327286 906000814 /nfs/dbraw/zinc/00/08/14/906000814.db2.gz PGFLKOCHKHVVGN-UHFFFAOYSA-N 1 2 261.285 1.565 10 5 CDBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1F ZINC001168300682 908934896 /nfs/dbraw/zinc/93/48/96/908934896.db2.gz NLMBQUYHWHYYHH-NSHDSACASA-N 1 2 290.254 1.805 10 5 CDBELO C[C@H]1COC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000922641451 921723253 /nfs/dbraw/zinc/72/32/53/921723253.db2.gz LPYWSZVIIPCJPA-GZMMTYOYSA-N 1 2 252.270 1.425 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)C1(O)CCC1)C2 ZINC001119681892 925469177 /nfs/dbraw/zinc/46/91/77/925469177.db2.gz XSTGYIHPAORFML-ZDUSSCGKSA-N 1 2 278.308 1.186 10 5 CDBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)C1(O)CCC1)C2 ZINC001119681892 925469181 /nfs/dbraw/zinc/46/91/81/925469181.db2.gz XSTGYIHPAORFML-ZDUSSCGKSA-N 1 2 278.308 1.186 10 5 CDBELO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(C3CC3)CC2)cc1 ZINC000776580012 927755198 /nfs/dbraw/zinc/75/51/98/927755198.db2.gz QLGBXZMBDTVOFZ-HNNXBMFYSA-N 1 2 291.351 1.408 10 5 CDBELO C[C@@H]1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1=O ZINC000852473843 927794408 /nfs/dbraw/zinc/79/44/08/927794408.db2.gz HFSJCMSRBYQWKA-GYSYKLTISA-N 1 2 292.335 1.785 10 5 CDBELO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCn2c[nH+]cc21 ZINC000857990639 928792127 /nfs/dbraw/zinc/79/21/27/928792127.db2.gz QJFNOVKJVFOBGH-LLVKDONJSA-N 1 2 286.291 1.595 10 5 CDBELO COC(=O)c1cnc([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)s1 ZINC000931083469 933504012 /nfs/dbraw/zinc/50/40/12/933504012.db2.gz YADKSXXRFGYRDI-SECBINFHSA-N 1 2 299.352 1.386 10 5 CDBELO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)s1 ZINC000931083469 933504020 /nfs/dbraw/zinc/50/40/20/933504020.db2.gz YADKSXXRFGYRDI-SECBINFHSA-N 1 2 299.352 1.386 10 5 CDBELO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001468255929 970139935 /nfs/dbraw/zinc/13/99/35/970139935.db2.gz FASHCIAQADNSCS-MJRJWQSSSA-N 1 2 298.302 1.546 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401240163 342483985 /nfs/dbraw/zinc/48/39/85/342483985.db2.gz SBVSLMWSVPUTAM-QMMMGPOBSA-N 1 2 265.248 1.826 10 5 CDBELO C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC[NH2+]1 ZINC000235391063 342049309 /nfs/dbraw/zinc/04/93/09/342049309.db2.gz WQGGJSBTYLSERC-LBPRGKRZSA-N 1 2 265.269 1.381 10 5 CDBELO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581647 342055116 /nfs/dbraw/zinc/05/51/16/342055116.db2.gz UUACOPOMZVPJQN-VIFPVBQESA-N 1 2 279.296 1.629 10 5 CDBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2c[nH+]cn2C)n1 ZINC000290944784 344283595 /nfs/dbraw/zinc/28/35/95/344283595.db2.gz CDIVEKCWFHFIPV-UHFFFAOYSA-N 1 2 291.267 1.122 10 5 CDBELO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000584348384 345760723 /nfs/dbraw/zinc/76/07/23/345760723.db2.gz OJIXMCUHWLZHJX-SNVBAGLBSA-N 1 2 269.326 1.413 10 5 CDBELO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000584348384 345760725 /nfs/dbraw/zinc/76/07/25/345760725.db2.gz OJIXMCUHWLZHJX-SNVBAGLBSA-N 1 2 269.326 1.413 10 5 CDBELO C[C@H]([NH2+]Cc1nncn1C)c1ccccc1[N+](=O)[O-] ZINC000038007364 346375822 /nfs/dbraw/zinc/37/58/22/346375822.db2.gz DUMRZYBDLVBPMA-VIFPVBQESA-N 1 2 261.285 1.574 10 5 CDBELO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000066796678 348998657 /nfs/dbraw/zinc/99/86/57/348998657.db2.gz UVGPIZHCLYDOAJ-UHFFFAOYSA-N 1 2 299.334 1.707 10 5 CDBELO C[N@@H+]1CCO[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108945740 186237441 /nfs/dbraw/zinc/23/74/41/186237441.db2.gz FODRNEBLMVEERW-SNVBAGLBSA-N 1 2 285.731 1.991 10 5 CDBELO C[N@H+]1CCO[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108945740 186237442 /nfs/dbraw/zinc/23/74/42/186237442.db2.gz FODRNEBLMVEERW-SNVBAGLBSA-N 1 2 285.731 1.991 10 5 CDBELO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000599161183 358729784 /nfs/dbraw/zinc/72/97/84/358729784.db2.gz VEPNESLIBNYLKA-GFCCVEGCSA-N 1 2 251.286 1.337 10 5 CDBELO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000599161183 358729788 /nfs/dbraw/zinc/72/97/88/358729788.db2.gz VEPNESLIBNYLKA-GFCCVEGCSA-N 1 2 251.286 1.337 10 5 CDBELO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2CC(F)F)n1 ZINC000286524730 368869974 /nfs/dbraw/zinc/86/99/74/368869974.db2.gz QXGMFBAVIWGNLJ-VIFPVBQESA-N 1 2 290.270 1.147 10 5 CDBELO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2CC(F)F)n1 ZINC000286524730 368869978 /nfs/dbraw/zinc/86/99/78/368869978.db2.gz QXGMFBAVIWGNLJ-VIFPVBQESA-N 1 2 290.270 1.147 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000124996329 374882188 /nfs/dbraw/zinc/88/21/88/374882188.db2.gz HMBBNTINFUBOQB-LBPRGKRZSA-N 1 2 292.339 1.573 10 5 CDBELO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000124996329 374882198 /nfs/dbraw/zinc/88/21/98/374882198.db2.gz HMBBNTINFUBOQB-LBPRGKRZSA-N 1 2 292.339 1.573 10 5 CDBELO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000226039015 375258200 /nfs/dbraw/zinc/25/82/00/375258200.db2.gz FYHAZNKWNXXXAE-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000226039015 375258203 /nfs/dbraw/zinc/25/82/03/375258203.db2.gz FYHAZNKWNXXXAE-SECBINFHSA-N 1 2 279.296 1.124 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000353863975 375655399 /nfs/dbraw/zinc/65/53/99/375655399.db2.gz HEUMDRWKVUWJJF-LLVKDONJSA-N 1 2 277.324 1.647 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000353863975 375655406 /nfs/dbraw/zinc/65/54/06/375655406.db2.gz HEUMDRWKVUWJJF-LLVKDONJSA-N 1 2 277.324 1.647 10 5 CDBELO Cc1ccc(C[NH+]2CC(C)(CO)C2)cc1[N+](=O)[O-] ZINC000459625688 392493267 /nfs/dbraw/zinc/49/32/67/392493267.db2.gz XOCVYDCZZZZTKG-UHFFFAOYSA-N 1 2 250.298 1.717 10 5 CDBELO CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000295092640 483031333 /nfs/dbraw/zinc/03/13/33/483031333.db2.gz JLHHAHWSQMROGD-NEPJUHHUSA-N 1 2 297.380 1.561 10 5 CDBELO CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000295092640 483031336 /nfs/dbraw/zinc/03/13/36/483031336.db2.gz JLHHAHWSQMROGD-NEPJUHHUSA-N 1 2 297.380 1.561 10 5 CDBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295092640 483031339 /nfs/dbraw/zinc/03/13/39/483031339.db2.gz JLHHAHWSQMROGD-NEPJUHHUSA-N 1 2 297.380 1.561 10 5 CDBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295092640 483031343 /nfs/dbraw/zinc/03/13/43/483031343.db2.gz JLHHAHWSQMROGD-NEPJUHHUSA-N 1 2 297.380 1.561 10 5 CDBELO CC[N@H+](CCO)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000049136384 521097546 /nfs/dbraw/zinc/09/75/46/521097546.db2.gz LFKUNSKIXZSERZ-UHFFFAOYSA-N 1 2 252.270 1.092 10 5 CDBELO CC[N@@H+](CCO)CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000049136384 521097553 /nfs/dbraw/zinc/09/75/53/521097553.db2.gz LFKUNSKIXZSERZ-UHFFFAOYSA-N 1 2 252.270 1.092 10 5 CDBELO CC(C)[C@](C)(CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339199572 519829352 /nfs/dbraw/zinc/82/93/52/519829352.db2.gz BXPWSZHDGYSLGI-ZDUSSCGKSA-N 1 2 268.313 1.797 10 5 CDBELO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814851 521127768 /nfs/dbraw/zinc/12/77/68/521127768.db2.gz KXRMLWBVFHYJAP-LBPRGKRZSA-N 1 2 293.323 1.705 10 5 CDBELO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814851 521127778 /nfs/dbraw/zinc/12/77/78/521127778.db2.gz KXRMLWBVFHYJAP-LBPRGKRZSA-N 1 2 293.323 1.705 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000050816192 522646289 /nfs/dbraw/zinc/64/62/89/522646289.db2.gz NQOBIKVOKXDCCA-ZDUSSCGKSA-N 1 2 292.339 1.476 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000050816192 522646296 /nfs/dbraw/zinc/64/62/96/522646296.db2.gz NQOBIKVOKXDCCA-ZDUSSCGKSA-N 1 2 292.339 1.476 10 5 CDBELO Cc1cc(NC(=O)[C@@H]2CSC[NH2+]2)c([N+](=O)[O-])cc1C ZINC000050439804 525220612 /nfs/dbraw/zinc/22/06/12/525220612.db2.gz FTHDQFWFFXXSIK-JTQLQIEISA-N 1 2 281.337 1.813 10 5 CDBELO Cn1ncc([N+](=O)[O-])c1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001651452301 1171325182 /nfs/dbraw/zinc/32/51/82/1171325182.db2.gz WLXAJJAWMKMUEN-UHFFFAOYSA-N 1 2 276.300 1.542 10 5 CDBELO CON1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846986776 811395141 /nfs/dbraw/zinc/39/51/41/811395141.db2.gz VTHWLSWCIIDZJQ-LLVKDONJSA-N 1 2 265.313 1.835 10 5 CDBELO CC1(C(N)=O)C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000829070045 812379671 /nfs/dbraw/zinc/37/96/71/812379671.db2.gz LELKONPWBOFCEL-UHFFFAOYSA-N 1 2 267.260 1.041 10 5 CDBELO C[C@@H](C(N)=O)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000711136450 817469453 /nfs/dbraw/zinc/46/94/53/817469453.db2.gz YTYCDYVUUKYNMI-ZETCQYMHSA-N 1 2 255.249 1.040 10 5 CDBELO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000711136450 817469480 /nfs/dbraw/zinc/46/94/80/817469480.db2.gz YTYCDYVUUKYNMI-ZETCQYMHSA-N 1 2 255.249 1.040 10 5 CDBELO COC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000167525195 817788977 /nfs/dbraw/zinc/78/89/77/817788977.db2.gz WYAHGWJPPLDLTI-VIFPVBQESA-N 1 2 264.241 1.291 10 5 CDBELO CCc1cn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC001559465876 960770670 /nfs/dbraw/zinc/77/06/70/960770670.db2.gz DTMHXKWQCZNCGI-UHFFFAOYSA-N 1 2 274.280 1.501 10 5 CDBELO Cc1nn(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001350487803 966679945 /nfs/dbraw/zinc/67/99/45/966679945.db2.gz OTJZIZARYWCNKZ-ZJUUUORDSA-N 1 2 282.344 1.865 10 5 CDBELO Cc1nn(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC001350487803 966679948 /nfs/dbraw/zinc/67/99/48/966679948.db2.gz OTJZIZARYWCNKZ-ZJUUUORDSA-N 1 2 282.344 1.865 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(F)ccc1[N+](=O)[O-] ZINC001454148985 968435100 /nfs/dbraw/zinc/43/51/00/968435100.db2.gz JLCVIVJIYIQWHA-SNVBAGLBSA-N 1 2 290.254 1.805 10 5 CDBELO O=[N+]([O-])c1cc(F)cnc1NC1CC([NH+]2CCOCC2)C1 ZINC000601181495 342488887 /nfs/dbraw/zinc/48/88/87/342488887.db2.gz LITCRJBMFUCXFP-UHFFFAOYSA-N 1 2 296.302 1.404 10 5 CDBELO CC[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[N@@H+]1C ZINC000601375855 342558164 /nfs/dbraw/zinc/55/81/64/342558164.db2.gz SFFNJCAIYLWFGD-CMPLNLGQSA-N 1 2 293.323 1.969 10 5 CDBELO CC[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC[N@H+]1C ZINC000601375855 342558165 /nfs/dbraw/zinc/55/81/65/342558165.db2.gz SFFNJCAIYLWFGD-CMPLNLGQSA-N 1 2 293.323 1.969 10 5 CDBELO Cc1cc(NC[C@H]2COCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000599159671 343970641 /nfs/dbraw/zinc/97/06/41/343970641.db2.gz BKGUHBAFHVVOLH-LBPRGKRZSA-N 1 2 265.313 1.646 10 5 CDBELO Cc1cc(NC[C@H]2COCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000599159671 343970642 /nfs/dbraw/zinc/97/06/42/343970642.db2.gz BKGUHBAFHVVOLH-LBPRGKRZSA-N 1 2 265.313 1.646 10 5 CDBELO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084249 343958013 /nfs/dbraw/zinc/95/80/13/343958013.db2.gz QQNXUTJYSQTETD-GWCFXTLKSA-N 1 2 293.323 1.232 10 5 CDBELO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599084249 343958014 /nfs/dbraw/zinc/95/80/14/343958014.db2.gz QQNXUTJYSQTETD-GWCFXTLKSA-N 1 2 293.323 1.232 10 5 CDBELO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000110489975 186298957 /nfs/dbraw/zinc/29/89/57/186298957.db2.gz DNHVVOYAWXMXFB-JTQLQIEISA-N 1 2 296.283 1.246 10 5 CDBELO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000110489975 186298958 /nfs/dbraw/zinc/29/89/58/186298958.db2.gz DNHVVOYAWXMXFB-JTQLQIEISA-N 1 2 296.283 1.246 10 5 CDBELO CC1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619846035 350862659 /nfs/dbraw/zinc/86/26/59/350862659.db2.gz ZVNZEJQJRAXIKM-UHFFFAOYSA-N 1 2 264.281 1.818 10 5 CDBELO Cc1c(C[N@@H+]2CCO[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000185170079 357517211 /nfs/dbraw/zinc/51/72/11/357517211.db2.gz LZDIGSNUSPVWBI-OAHLLOKOSA-N 1 2 292.335 1.895 10 5 CDBELO Cc1c(C[N@H+]2CCO[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000185170079 357517213 /nfs/dbraw/zinc/51/72/13/357517213.db2.gz LZDIGSNUSPVWBI-OAHLLOKOSA-N 1 2 292.335 1.895 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000339095085 359292398 /nfs/dbraw/zinc/29/23/98/359292398.db2.gz ZQDORBIEAVULDI-GFCCVEGCSA-N 1 2 264.281 1.257 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000339095085 359292403 /nfs/dbraw/zinc/29/24/03/359292403.db2.gz ZQDORBIEAVULDI-GFCCVEGCSA-N 1 2 264.281 1.257 10 5 CDBELO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339127564 359296635 /nfs/dbraw/zinc/29/66/35/359296635.db2.gz UNZQVYQZJVCANU-SKDRFNHKSA-N 1 2 266.297 1.815 10 5 CDBELO COC1(CO)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339131684 359296738 /nfs/dbraw/zinc/29/67/38/359296738.db2.gz VHFCEJVUPOBWBV-UHFFFAOYSA-N 1 2 296.323 1.274 10 5 CDBELO CC[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000166119588 359669820 /nfs/dbraw/zinc/66/98/20/359669820.db2.gz MFYRACICXFLIGT-SECBINFHSA-N 1 2 267.285 1.579 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000293735858 364441363 /nfs/dbraw/zinc/44/13/63/364441363.db2.gz VFNRYWDEGLEFCC-NSHDSACASA-N 1 2 296.323 1.833 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000293735858 364441368 /nfs/dbraw/zinc/44/13/68/364441368.db2.gz VFNRYWDEGLEFCC-NSHDSACASA-N 1 2 296.323 1.833 10 5 CDBELO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174868353 364587131 /nfs/dbraw/zinc/58/71/31/364587131.db2.gz ADKHLPJENRTLSL-LBPRGKRZSA-N 1 2 296.327 1.207 10 5 CDBELO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174868353 364587135 /nfs/dbraw/zinc/58/71/35/364587135.db2.gz ADKHLPJENRTLSL-LBPRGKRZSA-N 1 2 296.327 1.207 10 5 CDBELO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000368959471 374340382 /nfs/dbraw/zinc/34/03/82/374340382.db2.gz WAHBSXUILLXMNG-SCVCMEIPSA-N 1 2 295.364 1.742 10 5 CDBELO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000368959471 374340386 /nfs/dbraw/zinc/34/03/86/374340386.db2.gz WAHBSXUILLXMNG-SCVCMEIPSA-N 1 2 295.364 1.742 10 5 CDBELO O=C1NC(=O)c2c1c1c[nH+]cn1c1[nH]c3ccccc3c12 ZINC000014559870 374382892 /nfs/dbraw/zinc/38/28/92/374382892.db2.gz WXUJAQBSBZLVEV-UHFFFAOYSA-N 1 2 276.255 1.852 10 5 in-vivo CDBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000371281461 374414620 /nfs/dbraw/zinc/41/46/20/374414620.db2.gz VOBKDBBIRZLCEM-VIFPVBQESA-N 1 2 286.291 1.605 10 5 CDBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000371281461 374414626 /nfs/dbraw/zinc/41/46/26/374414626.db2.gz VOBKDBBIRZLCEM-VIFPVBQESA-N 1 2 286.291 1.605 10 5 CDBELO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354890771 375758611 /nfs/dbraw/zinc/75/86/11/375758611.db2.gz FFCVWPCFOCPGGF-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354890771 375758615 /nfs/dbraw/zinc/75/86/15/375758615.db2.gz FFCVWPCFOCPGGF-UHFFFAOYSA-N 1 2 293.323 1.467 10 5 CDBELO Cc1sc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000174764050 379564386 /nfs/dbraw/zinc/56/43/86/379564386.db2.gz FVBOYPVEZKNOSK-UHFFFAOYSA-N 1 2 280.309 1.660 10 5 CDBELO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000048921813 390466616 /nfs/dbraw/zinc/46/66/16/390466616.db2.gz TVOSDQCNMRJCNY-NSHDSACASA-N 1 2 295.364 1.899 10 5 CDBELO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000048921813 390466622 /nfs/dbraw/zinc/46/66/22/390466622.db2.gz TVOSDQCNMRJCNY-NSHDSACASA-N 1 2 295.364 1.899 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000412090038 391120122 /nfs/dbraw/zinc/12/01/22/391120122.db2.gz YMRXVHDBMPKKSF-GXFFZTMASA-N 1 2 266.297 1.176 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000412090038 391120124 /nfs/dbraw/zinc/12/01/24/391120124.db2.gz YMRXVHDBMPKKSF-GXFFZTMASA-N 1 2 266.297 1.176 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@]34CCOC4)nc2c1 ZINC000421019891 392926132 /nfs/dbraw/zinc/92/61/32/392926132.db2.gz MXXNQKJEXWWDGC-CQSZACIVSA-N 1 2 288.307 1.836 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@]34CCOC4)nc2c1 ZINC000421019891 392926135 /nfs/dbraw/zinc/92/61/35/392926135.db2.gz MXXNQKJEXWWDGC-CQSZACIVSA-N 1 2 288.307 1.836 10 5 CDBELO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000236317467 140240318 /nfs/dbraw/zinc/24/03/18/140240318.db2.gz LHZPZGHSMPEXQX-SFYZADRCSA-N 1 2 265.269 1.366 10 5 CDBELO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000408308794 288209238 /nfs/dbraw/zinc/20/92/38/288209238.db2.gz KYXJQEFQYRPBGF-MRVPVSSYSA-N 1 2 256.331 1.266 10 5 CDBELO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CCS1 ZINC000408308794 288209240 /nfs/dbraw/zinc/20/92/40/288209240.db2.gz KYXJQEFQYRPBGF-MRVPVSSYSA-N 1 2 256.331 1.266 10 5 CDBELO CC(C)(NC(=O)Cn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000561691674 293099347 /nfs/dbraw/zinc/09/93/47/293099347.db2.gz QMOCRTHNFKHRFO-UHFFFAOYSA-N 1 2 288.307 1.843 10 5 CDBELO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000563094488 293271824 /nfs/dbraw/zinc/27/18/24/293271824.db2.gz JPPVVNAYABABNZ-APPZFPTMSA-N 1 2 265.269 1.237 10 5 CDBELO [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236319416 1159455356 /nfs/dbraw/zinc/45/53/56/1159455356.db2.gz VVFPUHKFTNJNFD-UWVGGRQHSA-N 1 2 279.296 1.756 10 5 CDBELO CC[NH2+][C@@H](CCOc1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000062539205 520092525 /nfs/dbraw/zinc/09/25/25/520092525.db2.gz PEAWNKXTHMCGAC-ZDUSSCGKSA-N 1 2 296.323 1.905 10 5 CDBELO CC[C@H]1COCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814161 523335297 /nfs/dbraw/zinc/33/52/97/523335297.db2.gz LEQLRPZOYQBVEK-NSHDSACASA-N 1 2 265.313 1.788 10 5 CDBELO CC[C@H]1COCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050814161 523335301 /nfs/dbraw/zinc/33/53/01/523335301.db2.gz LEQLRPZOYQBVEK-NSHDSACASA-N 1 2 265.313 1.788 10 5 CDBELO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816164 526959607 /nfs/dbraw/zinc/95/96/07/526959607.db2.gz KRWNZMSSMZAYJN-NSHDSACASA-N 1 2 278.312 1.017 10 5 CDBELO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816164 526959613 /nfs/dbraw/zinc/95/96/13/526959613.db2.gz KRWNZMSSMZAYJN-NSHDSACASA-N 1 2 278.312 1.017 10 5 CDBELO CNC(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000267105718 536318726 /nfs/dbraw/zinc/31/87/26/536318726.db2.gz ZIBKHARZGOKMRJ-LLVKDONJSA-N 1 2 292.339 1.613 10 5 CDBELO Cn1c(C(=O)NCC(C)(C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000898898817 621934686 /nfs/dbraw/zinc/93/46/86/621934686.db2.gz FRBKLUODWZGDOI-UHFFFAOYSA-N 1 2 291.311 1.295 10 5 CDBELO CCc1[nH]c(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c[nH+]1 ZINC001646325788 1167782994 /nfs/dbraw/zinc/78/29/94/1167782994.db2.gz QDKALUUDEXOOJB-UHFFFAOYSA-N 1 2 289.295 1.393 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])[nH+]1 ZINC001646325788 1167783001 /nfs/dbraw/zinc/78/30/01/1167783001.db2.gz QDKALUUDEXOOJB-UHFFFAOYSA-N 1 2 289.295 1.393 10 5 CDBELO O=[N+]([O-])c1ccc2ncnc(N3CCc4[nH+]c[nH]c4C3)c2c1 ZINC001651915633 1171376297 /nfs/dbraw/zinc/37/62/97/1171376297.db2.gz WOWKOBVMYWXWRO-UHFFFAOYSA-N 1 2 296.290 1.824 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1F ZINC000831180894 818850409 /nfs/dbraw/zinc/85/04/09/818850409.db2.gz CTFYQAIZVPIACU-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1F ZINC000831180894 818850412 /nfs/dbraw/zinc/85/04/12/818850412.db2.gz CTFYQAIZVPIACU-LBPRGKRZSA-N 1 2 290.241 1.936 10 5 CDBELO Cc1nn(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000812292093 820757838 /nfs/dbraw/zinc/75/78/38/820757838.db2.gz VIARQSCKAQPATN-NSHDSACASA-N 1 2 268.317 1.557 10 5 CDBELO Cc1nn(C[N@H+](C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000812292093 820757876 /nfs/dbraw/zinc/75/78/76/820757876.db2.gz VIARQSCKAQPATN-NSHDSACASA-N 1 2 268.317 1.557 10 5 CDBELO C[C@H]([NH2+][C@H]1CCNC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872086404 821473851 /nfs/dbraw/zinc/47/38/51/821473851.db2.gz WJPBJEYXGJIOPP-CBAPKCEASA-N 1 2 267.260 1.273 10 5 CDBELO CC(C)[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000812291384 821476122 /nfs/dbraw/zinc/47/61/22/821476122.db2.gz NTCNJRIIBNSDDB-JTQLQIEISA-N 1 2 254.290 1.248 10 5 CDBELO CC(C)[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000812291384 821476140 /nfs/dbraw/zinc/47/61/40/821476140.db2.gz NTCNJRIIBNSDDB-JTQLQIEISA-N 1 2 254.290 1.248 10 5 CDBELO COC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000852571072 927818268 /nfs/dbraw/zinc/81/82/68/927818268.db2.gz TYACZYQADMEJJY-UHFFFAOYSA-N 1 2 299.302 1.864 10 5 CDBELO COC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000852571072 927818278 /nfs/dbraw/zinc/81/82/78/927818278.db2.gz TYACZYQADMEJJY-UHFFFAOYSA-N 1 2 299.302 1.864 10 5 CDBELO Cn1cc([C@@H](CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001473362278 970782096 /nfs/dbraw/zinc/78/20/96/970782096.db2.gz ZCAVQXDGFWUFGA-SNVBAGLBSA-N 1 2 282.325 1.213 10 5 CDBELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001441373484 964481540 /nfs/dbraw/zinc/48/15/40/964481540.db2.gz RLSKKOFZDCVKLM-SECBINFHSA-N 1 2 289.295 1.192 10 5 CDBELO CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001472227596 970598211 /nfs/dbraw/zinc/59/82/11/970598211.db2.gz STQGSLYSDAAQGW-JTQLQIEISA-N 1 2 278.312 1.518 10 5 CDBELO CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001472227596 970598219 /nfs/dbraw/zinc/59/82/19/970598219.db2.gz STQGSLYSDAAQGW-JTQLQIEISA-N 1 2 278.312 1.518 10 5 CDBELO Cc1cc(NC(=O)Cc2c[nH+]cn2C)cc([N+](=O)[O-])c1 ZINC001472374634 970628175 /nfs/dbraw/zinc/62/81/75/970628175.db2.gz NBSPESZKHQVSEB-UHFFFAOYSA-N 1 2 274.280 1.818 10 5 CDBELO C[C@@H]1C[N@H+](CCNc2ncc(F)cc2[N+](=O)[O-])CCO1 ZINC000601111349 342468771 /nfs/dbraw/zinc/46/87/71/342468771.db2.gz ODXBSQOICDGGJV-SECBINFHSA-N 1 2 284.291 1.262 10 5 CDBELO C[C@@H]1C[N@@H+](CCNc2ncc(F)cc2[N+](=O)[O-])CCO1 ZINC000601111349 342468772 /nfs/dbraw/zinc/46/87/72/342468772.db2.gz ODXBSQOICDGGJV-SECBINFHSA-N 1 2 284.291 1.262 10 5 CDBELO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000592258157 342683471 /nfs/dbraw/zinc/68/34/71/342683471.db2.gz NYYSWBSIQTZCFJ-VIFPVBQESA-N 1 2 297.336 1.334 10 5 CDBELO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@H]2O1 ZINC000593115537 342770162 /nfs/dbraw/zinc/77/01/62/342770162.db2.gz FXQPUYGBOZSOHU-ZIAGYGMSSA-N 1 2 292.335 1.973 10 5 CDBELO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@H]2O1 ZINC000593115537 342770163 /nfs/dbraw/zinc/77/01/63/342770163.db2.gz FXQPUYGBOZSOHU-ZIAGYGMSSA-N 1 2 292.335 1.973 10 5 CDBELO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000594404031 342900739 /nfs/dbraw/zinc/90/07/39/342900739.db2.gz QGBXEQNRLDOJMH-JGZJWPJOSA-N 1 2 293.323 1.370 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595737011 343135866 /nfs/dbraw/zinc/13/58/66/343135866.db2.gz PCSGQHGSQUYFIY-GFCCVEGCSA-N 1 2 282.296 1.148 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595737011 343135868 /nfs/dbraw/zinc/13/58/68/343135868.db2.gz PCSGQHGSQUYFIY-GFCCVEGCSA-N 1 2 282.296 1.148 10 5 CDBELO COC[C@@H](CC[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)OC ZINC000596332311 343297055 /nfs/dbraw/zinc/29/70/55/343297055.db2.gz XPXXUOWXICWVAX-SNVBAGLBSA-N 1 2 294.311 1.356 10 5 CDBELO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1Cc2c[nH+]cn2C1 ZINC000598943644 343924836 /nfs/dbraw/zinc/92/48/36/343924836.db2.gz URRGPXIRDCTUAS-NSHDSACASA-N 1 2 286.291 1.075 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000599160797 343970960 /nfs/dbraw/zinc/97/09/60/343970960.db2.gz OGMDFYQZNQBTNK-JTQLQIEISA-N 1 2 269.276 1.476 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000599160797 343970961 /nfs/dbraw/zinc/97/09/61/343970961.db2.gz OGMDFYQZNQBTNK-JTQLQIEISA-N 1 2 269.276 1.476 10 5 CDBELO C[C@H](CNc1ccc([N+](=O)[O-])nc1)Cn1cc[nH+]c1 ZINC000344415470 362749747 /nfs/dbraw/zinc/74/97/47/362749747.db2.gz ILVPWXSKBJDMAT-SNVBAGLBSA-N 1 2 261.285 1.935 10 5 CDBELO CCNC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000612577298 347213352 /nfs/dbraw/zinc/21/33/52/347213352.db2.gz RTRMTCSNFAGILJ-UHFFFAOYSA-N 1 2 265.313 1.471 10 5 CDBELO CCNC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000612577298 347213355 /nfs/dbraw/zinc/21/33/55/347213355.db2.gz RTRMTCSNFAGILJ-UHFFFAOYSA-N 1 2 265.313 1.471 10 5 CDBELO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000330446695 367784283 /nfs/dbraw/zinc/78/42/83/367784283.db2.gz FMACSJUILOREAF-NOZJJQNGSA-N 1 2 266.297 1.503 10 5 CDBELO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000330446695 367784286 /nfs/dbraw/zinc/78/42/86/367784286.db2.gz FMACSJUILOREAF-NOZJJQNGSA-N 1 2 266.297 1.503 10 5 CDBELO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000330606372 203030572 /nfs/dbraw/zinc/03/05/72/203030572.db2.gz IQGDKFLGUXPQTF-GFCCVEGCSA-N 1 2 298.364 1.461 10 5 CDBELO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000330606372 203030575 /nfs/dbraw/zinc/03/05/75/203030575.db2.gz IQGDKFLGUXPQTF-GFCCVEGCSA-N 1 2 298.364 1.461 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412081210 391117011 /nfs/dbraw/zinc/11/70/11/391117011.db2.gz RLXKGVDCSPDFRN-SUNKGSAMSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412081210 391117015 /nfs/dbraw/zinc/11/70/15/391117015.db2.gz RLXKGVDCSPDFRN-SUNKGSAMSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@@H](O)[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412093313 391122461 /nfs/dbraw/zinc/12/24/61/391122461.db2.gz QWNOYVAABISKRJ-BXUZGUMPSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@@H](O)[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412093313 391122467 /nfs/dbraw/zinc/12/24/67/391122467.db2.gz QWNOYVAABISKRJ-BXUZGUMPSA-N 1 2 296.323 1.055 10 5 CDBELO CNC(=O)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420971619 392922693 /nfs/dbraw/zinc/92/26/93/392922693.db2.gz IKKBCSQQQDYCQR-QMMMGPOBSA-N 1 2 299.277 1.441 10 5 CDBELO CNC(=O)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000420971619 392922696 /nfs/dbraw/zinc/92/26/96/392922696.db2.gz IKKBCSQQQDYCQR-QMMMGPOBSA-N 1 2 299.277 1.441 10 5 CDBELO O=C(NCCn1cc[nH+]c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195494659 393227541 /nfs/dbraw/zinc/22/75/41/393227541.db2.gz HLVHPOZPNZZTCO-UHFFFAOYSA-N 1 2 299.290 1.703 10 5 CDBELO O=[N+]([O-])c1c(NCc2cccnc2)ncnc1-n1cc[nH+]c1 ZINC000040585570 174345826 /nfs/dbraw/zinc/34/58/26/174345826.db2.gz ABWDVWSAUMDZKB-UHFFFAOYSA-N 1 2 297.278 1.578 10 5 CDBELO Cc1ccc(C[NH2+]Cc2nccn2C)cc1[N+](=O)[O-] ZINC000071140840 176038883 /nfs/dbraw/zinc/03/88/83/176038883.db2.gz AVDDWTQIUQEZTE-UHFFFAOYSA-N 1 2 260.297 1.927 10 5 CDBELO O=C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000413118767 280255550 /nfs/dbraw/zinc/25/55/50/280255550.db2.gz LWJBMXBYQVDXPC-UHFFFAOYSA-N 1 2 286.291 1.469 10 5 CDBELO O=C(NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cn1 ZINC000531888327 281862969 /nfs/dbraw/zinc/86/29/69/281862969.db2.gz HSUFPYQBSHFROD-UHFFFAOYSA-N 1 2 289.295 1.397 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC(C)(C)C1 ZINC000408401845 303019547 /nfs/dbraw/zinc/01/95/47/303019547.db2.gz HXJICFYCNIQDOL-UHFFFAOYSA-N 1 2 270.358 1.656 10 5 CDBELO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCSC(C)(C)C1 ZINC000408401845 303019549 /nfs/dbraw/zinc/01/95/49/303019549.db2.gz HXJICFYCNIQDOL-UHFFFAOYSA-N 1 2 270.358 1.656 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)NC ZINC000050813376 520329119 /nfs/dbraw/zinc/32/91/19/520329119.db2.gz DWVCEPVFYKDVFM-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)NC ZINC000050813376 520329128 /nfs/dbraw/zinc/32/91/28/520329128.db2.gz DWVCEPVFYKDVFM-UHFFFAOYSA-N 1 2 280.328 1.204 10 5 CDBELO CC[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000062727265 521165686 /nfs/dbraw/zinc/16/56/86/521165686.db2.gz MTTDXGQVXGWNHH-UHFFFAOYSA-N 1 2 266.297 1.632 10 5 CDBELO CC[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000062727265 521165694 /nfs/dbraw/zinc/16/56/94/521165694.db2.gz MTTDXGQVXGWNHH-UHFFFAOYSA-N 1 2 266.297 1.632 10 5 CDBELO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817784 524082580 /nfs/dbraw/zinc/08/25/80/524082580.db2.gz OODQLTDTVWSKHJ-ZDUSSCGKSA-N 1 2 292.339 1.347 10 5 CDBELO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817784 524082581 /nfs/dbraw/zinc/08/25/81/524082581.db2.gz OODQLTDTVWSKHJ-ZDUSSCGKSA-N 1 2 292.339 1.347 10 5 CDBELO Cc1cc(=O)n(Cc2ccc[nH+]c2N)cc1[N+](=O)[O-] ZINC000092803015 1174405119 /nfs/dbraw/zinc/40/51/19/1174405119.db2.gz AYILJXZTJZGXKW-UHFFFAOYSA-N 1 2 260.253 1.090 10 5 CDBELO O=C(C[C@H]1CC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581838 527171667 /nfs/dbraw/zinc/17/16/67/527171667.db2.gz WOWVCUVJGLKXLW-MRVPVSSYSA-N 1 2 265.269 1.239 10 5 CDBELO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000050711013 527503002 /nfs/dbraw/zinc/50/30/02/527503002.db2.gz JACUWGYCBHLCBO-UHFFFAOYSA-N 1 2 290.323 1.097 10 5 CDBELO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)ccc1O ZINC000725269283 538460344 /nfs/dbraw/zinc/46/03/44/538460344.db2.gz JEVDKURMTOTNHP-VXGBXAGGSA-N 1 2 278.308 1.815 10 5 CDBELO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000761097117 576547897 /nfs/dbraw/zinc/54/78/97/576547897.db2.gz SINMMFNSYAELAI-SKDRFNHKSA-N 1 2 291.307 1.636 10 5 CDBELO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000761097117 576547899 /nfs/dbraw/zinc/54/78/99/576547899.db2.gz SINMMFNSYAELAI-SKDRFNHKSA-N 1 2 291.307 1.636 10 5 CDBELO Nc1[nH+]cccc1CNc1ncc([N+](=O)[O-])cc1F ZINC001639927230 1166975768 /nfs/dbraw/zinc/97/57/68/1166975768.db2.gz BQKOYBNZFBZXOE-UHFFFAOYSA-N 1 2 263.232 1.718 10 5 CDBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001641141890 1167080397 /nfs/dbraw/zinc/08/03/97/1167080397.db2.gz NAFKEGZSKNYYSB-MRVPVSSYSA-N 1 2 290.254 1.285 10 5 CDBELO C[C@@H]1CCN(c2nn(C)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC001655263781 1171682660 /nfs/dbraw/zinc/68/26/60/1171682660.db2.gz NNIQYDBFMXBMJL-MNOVXSKESA-N 1 2 290.327 1.612 10 5 CDBELO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001586305010 1172941097 /nfs/dbraw/zinc/94/10/97/1172941097.db2.gz OQNWSRVPTTVCKL-UHFFFAOYSA-N 1 2 287.279 1.071 10 5 CDBELO Cc1nn(C[N@@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000779860501 828453010 /nfs/dbraw/zinc/45/30/10/828453010.db2.gz ZSPBDTWSMYMQIF-UHFFFAOYSA-N 1 2 256.331 1.496 10 5 CDBELO Cc1nn(C[N@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000779860501 828453032 /nfs/dbraw/zinc/45/30/32/828453032.db2.gz ZSPBDTWSMYMQIF-UHFFFAOYSA-N 1 2 256.331 1.496 10 5 CDBELO CCN1OC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000852096505 828532862 /nfs/dbraw/zinc/53/28/62/828532862.db2.gz LEGUIACKSXNJHP-CABZTGNLSA-N 1 2 279.296 1.408 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000877749418 825151008 /nfs/dbraw/zinc/15/10/08/825151008.db2.gz KKUXAFVGRILLGZ-NEPJUHHUSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c(Cl)c1 ZINC000877749418 825151012 /nfs/dbraw/zinc/15/10/12/825151012.db2.gz KKUXAFVGRILLGZ-NEPJUHHUSA-N 1 2 286.715 1.176 10 5 CDBELO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872028645 826977334 /nfs/dbraw/zinc/97/73/34/826977334.db2.gz LPSNTCLXDOBVNV-SCZZXKLOSA-N 1 2 281.287 1.663 10 5 CDBELO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1c[nH]nn1)C2 ZINC000851869374 827029282 /nfs/dbraw/zinc/02/92/82/827029282.db2.gz FWBHMRNYYKCQEK-UHFFFAOYSA-N 1 2 273.296 1.314 10 5 CDBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1c[nH]nn1)C2 ZINC000851869374 827029295 /nfs/dbraw/zinc/02/92/95/827029295.db2.gz FWBHMRNYYKCQEK-UHFFFAOYSA-N 1 2 273.296 1.314 10 5 CDBELO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)N(C)C ZINC000872049722 827777780 /nfs/dbraw/zinc/77/77/80/827777780.db2.gz UTDXSFFJPMLNIY-RKDXNWHRSA-N 1 2 283.303 1.861 10 5 CDBELO CC[C@@H](C[N+](=O)[O-])OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001349805951 966480113 /nfs/dbraw/zinc/48/01/13/966480113.db2.gz PVDNLYHXSHMIIC-ZJUUUORDSA-N 1 2 255.274 1.433 10 5 CDBELO COC(OC)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[N+](=O)[O-] ZINC000221573623 342237141 /nfs/dbraw/zinc/23/71/41/342237141.db2.gz ZLDQPHQBJSXYNN-CHWSQXEVSA-N 1 2 280.324 1.383 10 5 CDBELO COC(OC)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[N+](=O)[O-] ZINC000221573623 342237142 /nfs/dbraw/zinc/23/71/42/342237142.db2.gz ZLDQPHQBJSXYNN-CHWSQXEVSA-N 1 2 280.324 1.383 10 5 CDBELO COC(OC)[C@@H]1C[N@H+](Cc2ccccc2)CC1[N+](=O)[O-] ZINC000221573623 342237143 /nfs/dbraw/zinc/23/71/43/342237143.db2.gz ZLDQPHQBJSXYNN-CHWSQXEVSA-N 1 2 280.324 1.383 10 5 CDBELO COC(OC)[C@@H]1C[N@@H+](Cc2ccccc2)CC1[N+](=O)[O-] ZINC000221573623 342237144 /nfs/dbraw/zinc/23/71/44/342237144.db2.gz ZLDQPHQBJSXYNN-CHWSQXEVSA-N 1 2 280.324 1.383 10 5 CDBELO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000602884320 344634814 /nfs/dbraw/zinc/63/48/14/344634814.db2.gz LBWWWDFTHXAUQM-NXEZZACHSA-N 1 2 280.328 1.257 10 5 CDBELO COc1cccc(NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000291203352 344754478 /nfs/dbraw/zinc/75/44/78/344754478.db2.gz URAZSRKGXQXWGF-UHFFFAOYSA-N 1 2 262.269 1.949 10 5 CDBELO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000408076439 357814170 /nfs/dbraw/zinc/81/41/70/357814170.db2.gz IYNFNTMRIMHCLR-ZJUUUORDSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000408076439 357814173 /nfs/dbraw/zinc/81/41/73/357814173.db2.gz IYNFNTMRIMHCLR-ZJUUUORDSA-N 1 2 293.323 1.465 10 5 CDBELO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408111409 358155824 /nfs/dbraw/zinc/15/58/24/358155824.db2.gz BBTBXOPNDVBUNS-QMMMGPOBSA-N 1 2 269.326 1.432 10 5 CDBELO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000408111409 358155827 /nfs/dbraw/zinc/15/58/27/358155827.db2.gz BBTBXOPNDVBUNS-QMMMGPOBSA-N 1 2 269.326 1.432 10 5 CDBELO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1CF ZINC000584622287 358718018 /nfs/dbraw/zinc/71/80/18/358718018.db2.gz DISUSPPTVCJBJH-SNVBAGLBSA-N 1 2 254.265 1.080 10 5 CDBELO C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1CF ZINC000584622287 358718023 /nfs/dbraw/zinc/71/80/23/358718023.db2.gz DISUSPPTVCJBJH-SNVBAGLBSA-N 1 2 254.265 1.080 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378518626 374648288 /nfs/dbraw/zinc/64/82/88/374648288.db2.gz INTMGUYOKHBVQO-NSHDSACASA-N 1 2 287.279 1.690 10 5 CDBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000357284236 375894166 /nfs/dbraw/zinc/89/41/66/375894166.db2.gz PETQCEJTDPLZHK-UHFFFAOYSA-N 1 2 291.311 1.705 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000183364447 391262905 /nfs/dbraw/zinc/26/29/05/391262905.db2.gz PIMWRDGOPHFGAW-UHFFFAOYSA-N 1 2 291.351 1.956 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000183364447 391262910 /nfs/dbraw/zinc/26/29/10/391262910.db2.gz PIMWRDGOPHFGAW-UHFFFAOYSA-N 1 2 291.351 1.956 10 5 CDBELO COc1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000421013668 392925972 /nfs/dbraw/zinc/92/59/72/392925972.db2.gz GHZPQBQPNWATGN-CQSZACIVSA-N 1 2 278.308 1.968 10 5 CDBELO COc1ccc(C[N@H+]2CC[C@]23CCOC3)cc1[N+](=O)[O-] ZINC000421013668 392925974 /nfs/dbraw/zinc/92/59/74/392925974.db2.gz GHZPQBQPNWATGN-CQSZACIVSA-N 1 2 278.308 1.968 10 5 CDBELO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000233497953 140227446 /nfs/dbraw/zinc/22/74/46/140227446.db2.gz AGGDLJPJQFYTPH-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000233497953 140227448 /nfs/dbraw/zinc/22/74/48/140227448.db2.gz AGGDLJPJQFYTPH-JTQLQIEISA-N 1 2 293.323 1.372 10 5 CDBELO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000353104849 155658338 /nfs/dbraw/zinc/65/83/38/155658338.db2.gz FOGIHYJZRHUVDQ-UHFFFAOYSA-N 1 2 274.280 1.865 10 5 CDBELO Cc1cnc(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000568755856 294095246 /nfs/dbraw/zinc/09/52/46/294095246.db2.gz BBAJHRFPFUUWLZ-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO Cc1cnc(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000568755856 294095249 /nfs/dbraw/zinc/09/52/49/294095249.db2.gz BBAJHRFPFUUWLZ-SNVBAGLBSA-N 1 2 283.353 1.721 10 5 CDBELO CC1(C)C[NH+](CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000570351712 294223038 /nfs/dbraw/zinc/22/30/38/294223038.db2.gz GTNUJOWEIRRSNR-UHFFFAOYSA-N 1 2 277.324 1.553 10 5 CDBELO CCNc1ccc(C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000050792213 520300411 /nfs/dbraw/zinc/30/04/11/520300411.db2.gz SQQCNVLEORJOMY-UHFFFAOYSA-N 1 2 265.313 1.859 10 5 CDBELO C[NH2+][C@@H](CCSc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000062596725 522351332 /nfs/dbraw/zinc/35/13/32/522351332.db2.gz ORLJPIJLHQUWSC-VIFPVBQESA-N 1 2 284.337 1.838 10 5 CDBELO C[NH2+][C@](COc1ccccc1[N+](=O)[O-])(C(=O)OC)C1CC1 ZINC000069194190 522532377 /nfs/dbraw/zinc/53/23/77/522532377.db2.gz OECMCBVYALGSTO-AWEZNQCLSA-N 1 2 294.307 1.515 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000050816191 522645588 /nfs/dbraw/zinc/64/55/88/522645588.db2.gz NQOBIKVOKXDCCA-CYBMUJFWSA-N 1 2 292.339 1.476 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000050816191 522645592 /nfs/dbraw/zinc/64/55/92/522645592.db2.gz NQOBIKVOKXDCCA-CYBMUJFWSA-N 1 2 292.339 1.476 10 5 CDBELO C[C@@H](C[NH+]1CCOCC1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052120398 524630647 /nfs/dbraw/zinc/63/06/47/524630647.db2.gz JTQSOIDXJRVIAS-JTQLQIEISA-N 1 2 283.303 1.867 10 5 CDBELO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000761101324 576548777 /nfs/dbraw/zinc/54/87/77/576548777.db2.gz YFYZMDRSOPTUES-SKDRFNHKSA-N 1 2 261.281 1.628 10 5 CDBELO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000761101324 576548779 /nfs/dbraw/zinc/54/87/79/576548779.db2.gz YFYZMDRSOPTUES-SKDRFNHKSA-N 1 2 261.281 1.628 10 5 CDBELO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH+]c1C ZINC001587805151 1173001186 /nfs/dbraw/zinc/00/11/86/1173001186.db2.gz LZEVJINNDWAQSD-UHFFFAOYSA-N 1 2 263.257 1.193 10 5 CDBELO C[C@](CO)([NH2+]Cc1cnns1)c1cccc([N+](=O)[O-])c1 ZINC001620495066 1165654591 /nfs/dbraw/zinc/65/45/91/1165654591.db2.gz DWWSWBPCUFLNAK-GFCCVEGCSA-N 1 2 294.336 1.444 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313627271 833006094 /nfs/dbraw/zinc/00/60/94/833006094.db2.gz MUTQOJVNROWKON-CYBMUJFWSA-N 1 2 284.287 1.053 10 5 CDBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313627271 833006105 /nfs/dbraw/zinc/00/61/05/833006105.db2.gz MUTQOJVNROWKON-CYBMUJFWSA-N 1 2 284.287 1.053 10 5 CDBELO Cn1cc([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC001642646063 1167188278 /nfs/dbraw/zinc/18/82/78/1167188278.db2.gz CGRSBQVNZXWLQT-ZDUSSCGKSA-N 1 2 294.286 1.291 10 5 CDBELO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078529 833288113 /nfs/dbraw/zinc/28/81/13/833288113.db2.gz IPCQVDWYAUALKA-UBHAPETDSA-N 1 2 284.287 1.798 10 5 CDBELO CC[N@H+](C)[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813104421 830418347 /nfs/dbraw/zinc/41/83/47/830418347.db2.gz CHGIPQGISLOARY-DGCLKSJQSA-N 1 2 280.324 1.888 10 5 CDBELO CCON(CC)C(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000858219319 835320434 /nfs/dbraw/zinc/32/04/34/835320434.db2.gz HZWYSNPOGJKBBB-UHFFFAOYSA-N 1 2 287.341 1.546 10 5 CDBELO C[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001347237851 965427930 /nfs/dbraw/zinc/42/79/30/965427930.db2.gz MWRJCMDAYLPJIT-ZJUUUORDSA-N 1 2 254.290 1.248 10 5 CDBELO C[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001347237851 965427935 /nfs/dbraw/zinc/42/79/35/965427935.db2.gz MWRJCMDAYLPJIT-ZJUUUORDSA-N 1 2 254.290 1.248 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593095083 342765272 /nfs/dbraw/zinc/76/52/72/342765272.db2.gz NOXWZMHXBXBNND-PVUDRZGPSA-N 1 2 296.348 1.309 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593095083 342765273 /nfs/dbraw/zinc/76/52/73/342765273.db2.gz NOXWZMHXBXBNND-PVUDRZGPSA-N 1 2 296.348 1.309 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593095084 342765384 /nfs/dbraw/zinc/76/53/84/342765384.db2.gz NOXWZMHXBXBNND-JOOBJXAISA-N 1 2 296.348 1.309 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593095084 342765385 /nfs/dbraw/zinc/76/53/85/342765385.db2.gz NOXWZMHXBXBNND-JOOBJXAISA-N 1 2 296.348 1.309 10 5 CDBELO COC[C@@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)OC ZINC000595424508 343056456 /nfs/dbraw/zinc/05/64/56/343056456.db2.gz NMYULEZNGXVUCJ-GFCCVEGCSA-N 1 2 281.312 1.009 10 5 CDBELO COC[C@@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)OC ZINC000595424508 343056457 /nfs/dbraw/zinc/05/64/57/343056457.db2.gz NMYULEZNGXVUCJ-GFCCVEGCSA-N 1 2 281.312 1.009 10 5 CDBELO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000595952367 343194783 /nfs/dbraw/zinc/19/47/83/343194783.db2.gz ZXSXBNDOSWKYHO-SNVBAGLBSA-N 1 2 281.312 1.404 10 5 CDBELO CNc1[nH+]cnc2c1cnn2Cc1onc(C)c1[N+](=O)[O-] ZINC000596268682 343281024 /nfs/dbraw/zinc/28/10/24/343281024.db2.gz BOTMYGSXBOEBLY-UHFFFAOYSA-N 1 2 289.255 1.121 10 5 CDBELO CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@H+](C)C1 ZINC000597946939 343676015 /nfs/dbraw/zinc/67/60/15/343676015.db2.gz SSXAABMZSLIQRX-LLVKDONJSA-N 1 2 293.323 1.467 10 5 CDBELO CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@@H+](C)C1 ZINC000597946939 343676016 /nfs/dbraw/zinc/67/60/16/343676016.db2.gz SSXAABMZSLIQRX-LLVKDONJSA-N 1 2 293.323 1.467 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598943832 343924554 /nfs/dbraw/zinc/92/45/54/343924554.db2.gz IHMOVNGPGCKRKR-JTQLQIEISA-N 1 2 286.291 1.454 10 5 CDBELO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000293165449 362533251 /nfs/dbraw/zinc/53/32/51/362533251.db2.gz VXPQADZXKIEYJJ-NXEZZACHSA-N 1 2 293.323 1.882 10 5 CDBELO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000293165449 362533256 /nfs/dbraw/zinc/53/32/56/362533256.db2.gz VXPQADZXKIEYJJ-NXEZZACHSA-N 1 2 293.323 1.882 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000612576546 347212319 /nfs/dbraw/zinc/21/23/19/347212319.db2.gz ZCSWJPQSDLTIQV-UHFFFAOYSA-N 1 2 291.351 1.957 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)N1CCCC1 ZINC000612576546 347212323 /nfs/dbraw/zinc/21/23/23/347212323.db2.gz ZCSWJPQSDLTIQV-UHFFFAOYSA-N 1 2 291.351 1.957 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000411916575 363374513 /nfs/dbraw/zinc/37/45/13/363374513.db2.gz VXJOYOLNRPTNDF-UHFFFAOYSA-N 1 2 299.277 1.583 10 5 CDBELO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000566194250 357432191 /nfs/dbraw/zinc/43/21/91/357432191.db2.gz ZFFOVKKBKYNODI-RNFRBKRXSA-N 1 2 253.258 1.222 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1SC[C@H]1C[N@H+](C)CCO1 ZINC000567767419 358732952 /nfs/dbraw/zinc/73/29/52/358732952.db2.gz MKLLRSWMIPYEBI-LLVKDONJSA-N 1 2 283.353 1.721 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1SC[C@H]1C[N@@H+](C)CCO1 ZINC000567767419 358732955 /nfs/dbraw/zinc/73/29/55/358732955.db2.gz MKLLRSWMIPYEBI-LLVKDONJSA-N 1 2 283.353 1.721 10 5 CDBELO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262925499 358908892 /nfs/dbraw/zinc/90/88/92/358908892.db2.gz HHXNSWDSIDHKRT-NSHDSACASA-N 1 2 299.277 1.251 10 5 CDBELO COc1cc(C)[nH+]c(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1 ZINC000270149687 359908776 /nfs/dbraw/zinc/90/87/76/359908776.db2.gz RDRYKAXHBAWSSQ-UHFFFAOYSA-N 1 2 289.291 1.825 10 5 CDBELO C[C@H](O)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412093315 391122202 /nfs/dbraw/zinc/12/22/02/391122202.db2.gz QWNOYVAABISKRJ-FZMZJTMJSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@H](O)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412093315 391122206 /nfs/dbraw/zinc/12/22/06/391122206.db2.gz QWNOYVAABISKRJ-FZMZJTMJSA-N 1 2 296.323 1.055 10 5 CDBELO Cc1c(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000281963422 393165547 /nfs/dbraw/zinc/16/55/47/393165547.db2.gz BBUFNYHMANMVFW-SNVBAGLBSA-N 1 2 277.324 1.566 10 5 CDBELO Cc1c(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000281963422 393165558 /nfs/dbraw/zinc/16/55/58/393165558.db2.gz BBUFNYHMANMVFW-SNVBAGLBSA-N 1 2 277.324 1.566 10 5 CDBELO CCN(CCC[NH+](C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316854 140163326 /nfs/dbraw/zinc/16/33/26/140163326.db2.gz NZEQKOFOYQBMAC-UHFFFAOYSA-N 1 2 295.339 1.714 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282335796 287144727 /nfs/dbraw/zinc/14/47/27/287144727.db2.gz VAXWNGBSKSPIBS-GXFFZTMASA-N 1 2 298.364 1.775 10 5 CDBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282335796 287144728 /nfs/dbraw/zinc/14/47/28/287144728.db2.gz VAXWNGBSKSPIBS-GXFFZTMASA-N 1 2 298.364 1.775 10 5 CDBELO Cc1ccc(C(=O)NCCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000078723579 177376002 /nfs/dbraw/zinc/37/60/02/177376002.db2.gz JCBTUTAICFEIKD-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO Cc1ccc(C(=O)NCCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000078723579 177376003 /nfs/dbraw/zinc/37/60/03/177376003.db2.gz JCBTUTAICFEIKD-UHFFFAOYSA-N 1 2 274.280 1.599 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC(n3cc[nH+]c3)C2)c(Cl)c1 ZINC000531832837 281849295 /nfs/dbraw/zinc/84/92/95/281849295.db2.gz VDPDUXMBGIHMIF-UHFFFAOYSA-N 1 2 279.687 1.901 10 5 CDBELO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000234262563 289211309 /nfs/dbraw/zinc/21/13/09/289211309.db2.gz HZDWJXLNVZAFEK-LLVKDONJSA-N 1 2 293.323 1.467 10 5 CDBELO C[NH+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000170859771 289384984 /nfs/dbraw/zinc/38/49/84/289384984.db2.gz CVBSTRBVBKISOV-JTQLQIEISA-N 1 2 279.296 1.077 10 5 CDBELO CC(C)Oc1nc(NCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000563821375 316378537 /nfs/dbraw/zinc/37/85/37/316378537.db2.gz UHYZKXLAGQJAIH-UHFFFAOYSA-N 1 2 291.311 1.545 10 5 CDBELO CNc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050812503 522608934 /nfs/dbraw/zinc/60/89/34/522608934.db2.gz ZPEHZMCCILSZBG-NSHDSACASA-N 1 2 278.312 1.086 10 5 CDBELO CNc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000050812503 522608940 /nfs/dbraw/zinc/60/89/40/522608940.db2.gz ZPEHZMCCILSZBG-NSHDSACASA-N 1 2 278.312 1.086 10 5 CDBELO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050816233 524081567 /nfs/dbraw/zinc/08/15/67/524081567.db2.gz DYYAQDAUYIJJIU-ZDUSSCGKSA-N 1 2 292.339 1.278 10 5 CDBELO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050816233 524081568 /nfs/dbraw/zinc/08/15/68/524081568.db2.gz DYYAQDAUYIJJIU-ZDUSSCGKSA-N 1 2 292.339 1.278 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000365124796 527350307 /nfs/dbraw/zinc/35/03/07/527350307.db2.gz YSAGFDXDYGQHCP-GFCCVEGCSA-N 1 2 293.279 1.460 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000365124796 527350313 /nfs/dbraw/zinc/35/03/13/527350313.db2.gz YSAGFDXDYGQHCP-GFCCVEGCSA-N 1 2 293.279 1.460 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2OC)n1 ZINC000191584488 529155415 /nfs/dbraw/zinc/15/54/15/529155415.db2.gz DJFZMTISVQNBGR-UHFFFAOYSA-N 1 2 291.267 1.467 10 5 CDBELO C[N@H+](CCN1CCCC1=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000732986090 575099717 /nfs/dbraw/zinc/09/97/17/575099717.db2.gz YYOYLEVSZGVBRK-UHFFFAOYSA-N 1 2 295.314 1.788 10 5 CDBELO C[N@@H+](CCN1CCCC1=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000732986090 575099718 /nfs/dbraw/zinc/09/97/18/575099718.db2.gz YYOYLEVSZGVBRK-UHFFFAOYSA-N 1 2 295.314 1.788 10 5 CDBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC001569394028 1169851712 /nfs/dbraw/zinc/85/17/12/1169851712.db2.gz SSVRMUHSEBYKGR-VIFPVBQESA-N 1 2 290.254 1.285 10 5 CDBELO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081624 840047684 /nfs/dbraw/zinc/04/76/84/840047684.db2.gz IPCQVDWYAUALKA-HLUHBDAQSA-N 1 2 284.287 1.798 10 5 CDBELO COCC[N@H+](CCF)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852482678 840455553 /nfs/dbraw/zinc/45/55/53/840455553.db2.gz KBVVRBURZVPSHM-CYBMUJFWSA-N 1 2 286.303 1.546 10 5 CDBELO COCC[N@@H+](CCF)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852482678 840455571 /nfs/dbraw/zinc/45/55/71/840455571.db2.gz KBVVRBURZVPSHM-CYBMUJFWSA-N 1 2 286.303 1.546 10 5 CDBELO CCCNC(=O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017802 840823245 /nfs/dbraw/zinc/82/32/45/840823245.db2.gz FBJYYLVVCVZMMQ-VIFPVBQESA-N 1 2 283.303 1.911 10 5 CDBELO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928113 842908530 /nfs/dbraw/zinc/90/85/30/842908530.db2.gz QMCRYIAVWZWHCC-NSHDSACASA-N 1 2 299.350 1.965 10 5 CDBELO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928113 842908549 /nfs/dbraw/zinc/90/85/49/842908549.db2.gz QMCRYIAVWZWHCC-NSHDSACASA-N 1 2 299.350 1.965 10 5 CDBELO Cc1nn(C)c(NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC000313474007 941383442 /nfs/dbraw/zinc/38/34/42/941383442.db2.gz PWKOFVSVIXBWDM-UHFFFAOYSA-N 1 2 264.289 1.025 10 5 CDBELO CC[C@H](C[N+](=O)[O-])OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC001520099600 970143719 /nfs/dbraw/zinc/14/37/19/970143719.db2.gz SIJSMUQYHYWKPS-NXEZZACHSA-N 1 2 276.358 1.022 10 5 CDBELO CC[C@H](C[N+](=O)[O-])OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC001520099600 970143723 /nfs/dbraw/zinc/14/37/23/970143723.db2.gz SIJSMUQYHYWKPS-NXEZZACHSA-N 1 2 276.358 1.022 10 5 CDBELO O=[N+]([O-])c1cncc(Cl)c1N1CC([NH+]2CCCC2)C1 ZINC000601193301 342488584 /nfs/dbraw/zinc/48/85/84/342488584.db2.gz FIUVSJOJDPNPTA-UHFFFAOYSA-N 1 2 282.731 1.928 10 5 CDBELO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593688900 342823193 /nfs/dbraw/zinc/82/31/93/342823193.db2.gz RGGSUGLNVRDEBR-NBEWEBBPSA-N 1 2 292.360 1.813 10 5 CDBELO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593688900 342823194 /nfs/dbraw/zinc/82/31/94/342823194.db2.gz RGGSUGLNVRDEBR-NBEWEBBPSA-N 1 2 292.360 1.813 10 5 CDBELO CO[C@H]1C[C@@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595484596 343066072 /nfs/dbraw/zinc/06/60/72/343066072.db2.gz MIDFOPXESPYWRO-DTORHVGOSA-N 1 2 255.274 1.500 10 5 CDBELO CO[C@H]1C[C@@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595484596 343066073 /nfs/dbraw/zinc/06/60/73/343066073.db2.gz MIDFOPXESPYWRO-DTORHVGOSA-N 1 2 255.274 1.500 10 5 CDBELO Cn1nccc1[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595543192 343093986 /nfs/dbraw/zinc/09/39/86/343093986.db2.gz ZQQXHZIJKGBLRO-LLVKDONJSA-N 1 2 294.286 1.291 10 5 CDBELO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599065835 343948156 /nfs/dbraw/zinc/94/81/56/343948156.db2.gz ROFDXCQFFASQDV-RNCFNFMXSA-N 1 2 273.292 1.960 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639142 344110839 /nfs/dbraw/zinc/11/08/39/344110839.db2.gz ZJSUNBDAXBFLMS-SWLSCSKDSA-N 1 2 292.335 1.895 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639142 344110841 /nfs/dbraw/zinc/11/08/41/344110841.db2.gz ZJSUNBDAXBFLMS-SWLSCSKDSA-N 1 2 292.335 1.895 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614453109 348115927 /nfs/dbraw/zinc/11/59/27/348115927.db2.gz MYHNVJPLWIPQLZ-NSHDSACASA-N 1 2 289.295 1.339 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000614453109 348115930 /nfs/dbraw/zinc/11/59/30/348115930.db2.gz MYHNVJPLWIPQLZ-NSHDSACASA-N 1 2 289.295 1.339 10 5 CDBELO Cc1cccc(C(=O)N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000124801599 351372441 /nfs/dbraw/zinc/37/24/41/351372441.db2.gz ILASSIBNEXUWES-UHFFFAOYSA-N 1 2 289.335 1.823 10 5 CDBELO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339150905 359305992 /nfs/dbraw/zinc/30/59/92/359305992.db2.gz YPUITXAYLQYJPN-GWCFXTLKSA-N 1 2 296.323 1.272 10 5 CDBELO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339150905 359305993 /nfs/dbraw/zinc/30/59/93/359305993.db2.gz YPUITXAYLQYJPN-GWCFXTLKSA-N 1 2 296.323 1.272 10 5 CDBELO Cn1c[nH+]cc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000357609155 378534330 /nfs/dbraw/zinc/53/43/30/378534330.db2.gz OZRLNDPJCKCJDH-UHFFFAOYSA-N 1 2 290.308 1.945 10 5 CDBELO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185324062 378653305 /nfs/dbraw/zinc/65/33/05/378653305.db2.gz PFENUCMAFLATNH-JTQLQIEISA-N 1 2 293.323 1.515 10 5 CDBELO CC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185324062 378653310 /nfs/dbraw/zinc/65/33/10/378653310.db2.gz PFENUCMAFLATNH-JTQLQIEISA-N 1 2 293.323 1.515 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cncnc3)nc2c1 ZINC000446846662 250319022 /nfs/dbraw/zinc/31/90/22/250319022.db2.gz CKLVPAKMRXTGHO-UHFFFAOYSA-N 1 2 284.279 1.551 10 5 CDBELO C[C@H](O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412065604 391104006 /nfs/dbraw/zinc/10/40/06/391104006.db2.gz FWRFHLNDLHFHIT-GXFFZTMASA-N 1 2 266.297 1.176 10 5 CDBELO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412065604 391104008 /nfs/dbraw/zinc/10/40/08/391104008.db2.gz FWRFHLNDLHFHIT-GXFFZTMASA-N 1 2 266.297 1.176 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000412074013 391111979 /nfs/dbraw/zinc/11/19/79/391111979.db2.gz MGPVRGFPRWWIKH-RISCZKNCSA-N 1 2 296.323 1.055 10 5 CDBELO C[C@@H](O)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000412074013 391111981 /nfs/dbraw/zinc/11/19/81/391111981.db2.gz MGPVRGFPRWWIKH-RISCZKNCSA-N 1 2 296.323 1.055 10 5 CDBELO Cc1nnc([C@H](C)Nc2[nH]c3cc([N+](=O)[O-])ccc3[nH+]2)[nH]1 ZINC000392540490 393159576 /nfs/dbraw/zinc/15/95/76/393159576.db2.gz YNIIAYDJQZZJNA-LURJTMIESA-N 1 2 287.283 1.493 10 5 CDBELO O=[N+]([O-])c1c(Nc2cccnc2)ncnc1-n1cc[nH+]c1 ZINC000040628630 174357411 /nfs/dbraw/zinc/35/74/11/174357411.db2.gz SJIRHLMJFVWWCI-UHFFFAOYSA-N 1 2 283.251 1.709 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000378062173 279158129 /nfs/dbraw/zinc/15/81/29/279158129.db2.gz SVXIXKXCZXOYPR-UHFFFAOYSA-N 1 2 287.279 1.151 10 5 CDBELO [NH3+][C@]1(C(F)(F)CO)CCCc2ccc([N+](=O)[O-])cc21 ZINC000095642914 295343841 /nfs/dbraw/zinc/34/38/41/295343841.db2.gz NMPXREQXJAXJHU-LLVKDONJSA-N 1 2 272.251 1.713 10 5 CDBELO CC(=O)N1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268645582 534794957 /nfs/dbraw/zinc/79/49/57/534794957.db2.gz FMDFNEBHWMESID-NSHDSACASA-N 1 2 277.324 1.647 10 5 CDBELO CC(=O)N1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268645582 534794965 /nfs/dbraw/zinc/79/49/65/534794965.db2.gz FMDFNEBHWMESID-NSHDSACASA-N 1 2 277.324 1.647 10 5 CDBELO C[C@@H]1C[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050792526 524997014 /nfs/dbraw/zinc/99/70/14/524997014.db2.gz NAIZOAQVHSGJMJ-SECBINFHSA-N 1 2 251.286 1.398 10 5 CDBELO C[C@@H]1C[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050792526 524997023 /nfs/dbraw/zinc/99/70/23/524997023.db2.gz NAIZOAQVHSGJMJ-SECBINFHSA-N 1 2 251.286 1.398 10 5 CDBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1F ZINC001628086038 1166038610 /nfs/dbraw/zinc/03/86/10/1166038610.db2.gz CCXWFCWAKCWLTD-MRVPVSSYSA-N 1 2 290.254 1.285 10 5 CDBELO CCc1n[nH]c(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c1[N+](=O)[O-] ZINC001635375150 1166582817 /nfs/dbraw/zinc/58/28/17/1166582817.db2.gz BPCJZGZYOCRGMH-UHFFFAOYSA-N 1 2 292.299 1.150 10 5 CDBELO O=[N+]([O-])c1cnccc1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001652267415 1171416369 /nfs/dbraw/zinc/41/63/69/1171416369.db2.gz OKSXKMXCOQSZKS-UHFFFAOYSA-N 1 2 273.296 1.626 10 5 CDBELO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001654085886 1171591978 /nfs/dbraw/zinc/59/19/78/1171591978.db2.gz VDCMRXQWMKEDSS-JTQLQIEISA-N 1 2 296.302 1.237 10 5 CDBELO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001654085886 1171591984 /nfs/dbraw/zinc/59/19/84/1171591984.db2.gz VDCMRXQWMKEDSS-JTQLQIEISA-N 1 2 296.302 1.237 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)Nc1nn(C)cc1[N+](=O)[O-] ZINC000231667914 1178173407 /nfs/dbraw/zinc/17/34/07/1178173407.db2.gz XYNRYLKNVOALDO-QMMMGPOBSA-N 1 2 250.262 1.025 10 5 CDBELO COC[C@H]1CC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000840083846 843285330 /nfs/dbraw/zinc/28/53/30/843285330.db2.gz PHZAROWIAXEXFH-GFCCVEGCSA-N 1 2 290.323 1.931 10 5 CDBELO COC[C@H]1CC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000840083846 843285364 /nfs/dbraw/zinc/28/53/64/843285364.db2.gz PHZAROWIAXEXFH-GFCCVEGCSA-N 1 2 290.323 1.931 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000840141360 843760580 /nfs/dbraw/zinc/76/05/80/843760580.db2.gz NNJSTIYPTWXJSD-GFCCVEGCSA-N 1 2 266.301 1.251 10 5 CDBELO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000840141360 843760593 /nfs/dbraw/zinc/76/05/93/843760593.db2.gz NNJSTIYPTWXJSD-GFCCVEGCSA-N 1 2 266.301 1.251 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984821 845792082 /nfs/dbraw/zinc/79/20/82/845792082.db2.gz MDSZQOUSEKSALZ-GFCCVEGCSA-N 1 2 286.291 1.975 10 5 CDBELO Cn1cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000866125310 846133119 /nfs/dbraw/zinc/13/31/19/846133119.db2.gz UTMCLEHMXXKFCD-UHFFFAOYSA-N 1 2 291.311 1.295 10 5 CDBELO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001193485882 923727587 /nfs/dbraw/zinc/72/75/87/923727587.db2.gz VVQKWYOTXISVOY-USWWRNFRSA-N 1 2 290.323 1.076 10 5 CDBELO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001193485882 923727600 /nfs/dbraw/zinc/72/76/00/923727600.db2.gz VVQKWYOTXISVOY-USWWRNFRSA-N 1 2 290.323 1.076 10 5 CDBELO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1[N+](=O)[O-] ZINC000593100502 342767333 /nfs/dbraw/zinc/76/73/33/342767333.db2.gz KONXGPPYLCLBMK-MKXJDEKUSA-N 1 2 296.348 1.309 10 5 CDBELO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1[N+](=O)[O-] ZINC000593100502 342767334 /nfs/dbraw/zinc/76/73/34/342767334.db2.gz KONXGPPYLCLBMK-MKXJDEKUSA-N 1 2 296.348 1.309 10 5 CDBELO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593688898 342823178 /nfs/dbraw/zinc/82/31/78/342823178.db2.gz RGGSUGLNVRDEBR-STVPOAOHSA-N 1 2 292.360 1.813 10 5 CDBELO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593688898 342823179 /nfs/dbraw/zinc/82/31/79/342823179.db2.gz RGGSUGLNVRDEBR-STVPOAOHSA-N 1 2 292.360 1.813 10 5 CDBELO O=[N+]([O-])c1c(NC[C@]2(O)CCOC2)ccc2c[nH+]ccc21 ZINC000599059949 343947227 /nfs/dbraw/zinc/94/72/27/343947227.db2.gz QOVSXXVERSLQEE-CQSZACIVSA-N 1 2 289.291 1.706 10 5 CDBELO COc1ccc2c(c1)[n+](=O)c1ccc(O)cc1n2O ZINC000028116692 344826308 /nfs/dbraw/zinc/82/63/08/344826308.db2.gz LNSPBUMHYDMZRM-UHFFFAOYSA-O 1 2 259.241 1.661 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCCO)C1CC1 ZINC000611271601 346731533 /nfs/dbraw/zinc/73/15/33/346731533.db2.gz KRXVJUBJXOICOK-UHFFFAOYSA-N 1 2 266.297 1.647 10 5 CDBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCCO)C1CC1 ZINC000611271601 346731537 /nfs/dbraw/zinc/73/15/37/346731537.db2.gz KRXVJUBJXOICOK-UHFFFAOYSA-N 1 2 266.297 1.647 10 5 CDBELO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@]2([NH3+])CCOC2)n1 ZINC000085851877 179188860 /nfs/dbraw/zinc/18/88/60/179188860.db2.gz ZRLCYTOPXOEYPM-ZDUSSCGKSA-N 1 2 290.279 1.528 10 5 CDBELO COCC[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000104958526 186035431 /nfs/dbraw/zinc/03/54/31/186035431.db2.gz ZTROPXJUFCEFMY-UHFFFAOYSA-N 1 2 260.315 1.097 10 5 CDBELO COCC[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000104958526 186035432 /nfs/dbraw/zinc/03/54/32/186035432.db2.gz ZTROPXJUFCEFMY-UHFFFAOYSA-N 1 2 260.315 1.097 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185207243 357522320 /nfs/dbraw/zinc/52/23/20/357522320.db2.gz XTNYHUSGEJMOIB-AWEZNQCLSA-N 1 2 278.308 1.586 10 5 CDBELO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185207243 357522326 /nfs/dbraw/zinc/52/23/26/357522326.db2.gz XTNYHUSGEJMOIB-AWEZNQCLSA-N 1 2 278.308 1.586 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185455357 357545769 /nfs/dbraw/zinc/54/57/69/357545769.db2.gz DVAXPBZKAGIYDK-LLVKDONJSA-N 1 2 291.307 1.221 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000185455357 357545773 /nfs/dbraw/zinc/54/57/73/357545773.db2.gz DVAXPBZKAGIYDK-LLVKDONJSA-N 1 2 291.307 1.221 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249507346 364773661 /nfs/dbraw/zinc/77/36/61/364773661.db2.gz YTQPCVHZOXHCHO-BXUZGUMPSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249507346 364773667 /nfs/dbraw/zinc/77/36/67/364773667.db2.gz YTQPCVHZOXHCHO-BXUZGUMPSA-N 1 2 280.324 1.485 10 5 CDBELO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490040347 253024171 /nfs/dbraw/zinc/02/41/71/253024171.db2.gz DQXKHXSERXBXHD-LLVKDONJSA-N 1 2 286.353 1.894 10 5 CDBELO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490040347 253024174 /nfs/dbraw/zinc/02/41/74/253024174.db2.gz DQXKHXSERXBXHD-LLVKDONJSA-N 1 2 286.353 1.894 10 5 CDBELO NC(=O)N[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000491975263 253131421 /nfs/dbraw/zinc/13/14/21/253131421.db2.gz CSPXCGCTVAWNKH-MRVPVSSYSA-N 1 2 298.730 1.491 10 5 CDBELO NC(=O)N[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000491975263 253131422 /nfs/dbraw/zinc/13/14/22/253131422.db2.gz CSPXCGCTVAWNKH-MRVPVSSYSA-N 1 2 298.730 1.491 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459639010 392495724 /nfs/dbraw/zinc/49/57/24/392495724.db2.gz CLAAVBUUKUWOJV-ZDUSSCGKSA-N 1 2 284.287 1.053 10 5 CDBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459639010 392495731 /nfs/dbraw/zinc/49/57/31/392495731.db2.gz CLAAVBUUKUWOJV-ZDUSSCGKSA-N 1 2 284.287 1.053 10 5 CDBELO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000233514041 140226879 /nfs/dbraw/zinc/22/68/79/140226879.db2.gz AGGDLJPJQFYTPH-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO CC[N@H+]1CC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000233514041 140226880 /nfs/dbraw/zinc/22/68/80/140226880.db2.gz AGGDLJPJQFYTPH-SNVBAGLBSA-N 1 2 293.323 1.372 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH+]ccn1C ZINC000078488589 177346312 /nfs/dbraw/zinc/34/63/12/177346312.db2.gz HVEJAPORXGBLAR-UHFFFAOYSA-N 1 2 274.280 1.567 10 5 CDBELO O=C(NCCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000078742287 177380716 /nfs/dbraw/zinc/38/07/16/177380716.db2.gz SACJUAHLZINBPL-UHFFFAOYSA-N 1 2 278.243 1.430 10 5 CDBELO O=C(NCCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000078742287 177380717 /nfs/dbraw/zinc/38/07/17/177380717.db2.gz SACJUAHLZINBPL-UHFFFAOYSA-N 1 2 278.243 1.430 10 5 CDBELO Cc1nc(NCCc2cn(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000313450256 260295653 /nfs/dbraw/zinc/29/56/53/260295653.db2.gz ZVHHJEJUMAXGFG-UHFFFAOYSA-N 1 2 261.285 1.686 10 5 CDBELO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233483990 276379167 /nfs/dbraw/zinc/37/91/67/276379167.db2.gz DSFGVXPVQFWNDF-JTQLQIEISA-N 1 2 293.323 1.515 10 5 CDBELO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000233483990 276379168 /nfs/dbraw/zinc/37/91/68/276379168.db2.gz DSFGVXPVQFWNDF-JTQLQIEISA-N 1 2 293.323 1.515 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c(C)n1)CC2 ZINC000371709845 281545936 /nfs/dbraw/zinc/54/59/36/281545936.db2.gz WVTUBEQWKZJKJA-UHFFFAOYSA-N 1 2 273.296 1.823 10 5 CDBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000557047968 290325022 /nfs/dbraw/zinc/32/50/22/290325022.db2.gz RJKFIFXQCQUIHM-MRVPVSSYSA-N 1 2 275.268 1.512 10 5 CDBELO Nc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccn1 ZINC000570387567 294227272 /nfs/dbraw/zinc/22/72/72/294227272.db2.gz DLJNILXEIVRHMV-UHFFFAOYSA-N 1 2 284.319 1.961 10 5 CDBELO Nc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccn1 ZINC000570387567 294227274 /nfs/dbraw/zinc/22/72/74/294227274.db2.gz DLJNILXEIVRHMV-UHFFFAOYSA-N 1 2 284.319 1.961 10 5 CDBELO Cc1cc(=O)n(Cc2c[nH+]c3ccccn23)cc1[N+](=O)[O-] ZINC000179959810 315998364 /nfs/dbraw/zinc/99/83/64/315998364.db2.gz NWXJZTQKXNWJTE-UHFFFAOYSA-N 1 2 284.275 1.761 10 5 CDBELO CC(C)NC(=O)C[N@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817047 519706008 /nfs/dbraw/zinc/70/60/08/519706008.db2.gz MTGDVMYTJJDUAY-UHFFFAOYSA-N 1 2 280.328 1.133 10 5 CDBELO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817047 519706009 /nfs/dbraw/zinc/70/60/09/519706009.db2.gz MTGDVMYTJJDUAY-UHFFFAOYSA-N 1 2 280.328 1.133 10 5 CDBELO C[C@H]1C[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050792527 524620590 /nfs/dbraw/zinc/62/05/90/524620590.db2.gz NAIZOAQVHSGJMJ-VIFPVBQESA-N 1 2 251.286 1.398 10 5 CDBELO C[C@H]1C[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CCO1 ZINC000050792527 524620598 /nfs/dbraw/zinc/62/05/98/524620598.db2.gz NAIZOAQVHSGJMJ-VIFPVBQESA-N 1 2 251.286 1.398 10 5 CDBELO COc1cc(C[N@@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000778949241 697858909 /nfs/dbraw/zinc/85/89/09/697858909.db2.gz CNMTVPSZLHAZPN-UHFFFAOYSA-N 1 2 294.307 1.552 10 5 CDBELO COc1cc(C[N@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000778949241 697858910 /nfs/dbraw/zinc/85/89/10/697858910.db2.gz CNMTVPSZLHAZPN-UHFFFAOYSA-N 1 2 294.307 1.552 10 5 CDBELO O=C(Cc1[nH]cc[nH+]1)NCc1cccc([N+](=O)[O-])c1 ZINC001617672650 1165604822 /nfs/dbraw/zinc/60/48/22/1165604822.db2.gz JFDFSOPBSBGNCO-UHFFFAOYSA-N 1 2 260.253 1.177 10 5 CDBELO CC(C)C[N@H+](CC(N)=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000048571975 849539716 /nfs/dbraw/zinc/53/97/16/849539716.db2.gz HMHMGRRHWRICPB-UHFFFAOYSA-N 1 2 283.303 1.677 10 5 CDBELO CC(C)C[N@@H+](CC(N)=O)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000048571975 849539728 /nfs/dbraw/zinc/53/97/28/849539728.db2.gz HMHMGRRHWRICPB-UHFFFAOYSA-N 1 2 283.303 1.677 10 5 CDBELO CCOC1(C)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834378543 849699986 /nfs/dbraw/zinc/69/99/86/849699986.db2.gz PJOCXKKKEYSUPI-CYBMUJFWSA-N 1 2 280.324 1.739 10 5 CDBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)c[nH+]cc2C)n1 ZINC001288771017 953952914 /nfs/dbraw/zinc/95/29/14/953952914.db2.gz MJSYGPSFWPYSCO-UHFFFAOYSA-N 1 2 289.295 1.497 10 5 CDBELO Cc1[nH]c(CNC(=O)Cc2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC001445471904 966204591 /nfs/dbraw/zinc/20/45/91/966204591.db2.gz BYFHSJZOQUIAJB-UHFFFAOYSA-N 1 2 288.307 1.794 10 5 CDBELO C[C@H](C[NH+]1CCOCC1)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401227384 342483585 /nfs/dbraw/zinc/48/35/85/342483585.db2.gz YMBUHINMGHEPIW-SECBINFHSA-N 1 2 284.291 1.262 10 5 CDBELO CNC(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419889 342040328 /nfs/dbraw/zinc/04/03/28/342040328.db2.gz SCYNCCGCAMNCNM-VIFPVBQESA-N 1 2 251.286 1.334 10 5 CDBELO CNC(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419889 342040329 /nfs/dbraw/zinc/04/03/29/342040329.db2.gz SCYNCCGCAMNCNM-VIFPVBQESA-N 1 2 251.286 1.334 10 5 CDBELO O=C1NCCC[C@H]1[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533800498 282151122 /nfs/dbraw/zinc/15/11/22/282151122.db2.gz AWRAVHWBMBAXDA-CYBMUJFWSA-N 1 2 275.308 1.232 10 5 CDBELO O=C1NCCC[C@H]1[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533800498 282151126 /nfs/dbraw/zinc/15/11/26/282151126.db2.gz AWRAVHWBMBAXDA-CYBMUJFWSA-N 1 2 275.308 1.232 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000597250692 343499327 /nfs/dbraw/zinc/49/93/27/343499327.db2.gz XYKQYOXIOZJCCW-UHFFFAOYSA-N 1 2 273.296 1.580 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000597250692 343499329 /nfs/dbraw/zinc/49/93/29/343499329.db2.gz XYKQYOXIOZJCCW-UHFFFAOYSA-N 1 2 273.296 1.580 10 5 CDBELO CC(C)(C(=O)NCc1cccc([N+](=O)[O-])c1)c1c[nH]c[nH+]1 ZINC000598676906 343875016 /nfs/dbraw/zinc/87/50/16/343875016.db2.gz BJZQMWFAPDZLPE-UHFFFAOYSA-N 1 2 288.307 1.912 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000120510808 362257132 /nfs/dbraw/zinc/25/71/32/362257132.db2.gz CIEZKERUMKOTKZ-GFCCVEGCSA-N 1 2 276.340 1.315 10 5 CDBELO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1COCC[N@@H+]1C ZINC000599160062 343970230 /nfs/dbraw/zinc/97/02/30/343970230.db2.gz CRHCAQSKFLEOIR-ZDUSSCGKSA-N 1 2 295.339 1.484 10 5 CDBELO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1COCC[N@H+]1C ZINC000599160062 343970232 /nfs/dbraw/zinc/97/02/32/343970232.db2.gz CRHCAQSKFLEOIR-ZDUSSCGKSA-N 1 2 295.339 1.484 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1COCC[N@H+]1C ZINC000599160907 343970934 /nfs/dbraw/zinc/97/09/34/343970934.db2.gz LHIVWEZTRILHIS-LBPRGKRZSA-N 1 2 265.313 1.646 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1COCC[N@@H+]1C ZINC000599160907 343970937 /nfs/dbraw/zinc/97/09/37/343970937.db2.gz LHIVWEZTRILHIS-LBPRGKRZSA-N 1 2 265.313 1.646 10 5 CDBELO Cc1cccc([N+](=O)[O-])c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000153023911 188059918 /nfs/dbraw/zinc/05/99/18/188059918.db2.gz QWOWXNHZGRPNHC-LBPRGKRZSA-N 1 2 295.339 1.008 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000185455378 357545865 /nfs/dbraw/zinc/54/58/65/357545865.db2.gz DVAXPBZKAGIYDK-NSHDSACASA-N 1 2 291.307 1.221 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000185455378 357545870 /nfs/dbraw/zinc/54/58/70/357545870.db2.gz DVAXPBZKAGIYDK-NSHDSACASA-N 1 2 291.307 1.221 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)cs1 ZINC000408205771 358398207 /nfs/dbraw/zinc/39/82/07/358398207.db2.gz RMWAKFGPPUOTNV-LLVKDONJSA-N 1 2 283.353 1.173 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2CCN3CCOC[C@H]3C2)cs1 ZINC000408205771 358398209 /nfs/dbraw/zinc/39/82/09/358398209.db2.gz RMWAKFGPPUOTNV-LLVKDONJSA-N 1 2 283.353 1.173 10 5 CDBELO Cc1ccc([C@H](C)NC(=O)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000567413150 358673267 /nfs/dbraw/zinc/67/32/67/358673267.db2.gz RHRYFQWDDVWCRG-NSHDSACASA-N 1 2 288.307 1.977 10 5 CDBELO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408311526 359023651 /nfs/dbraw/zinc/02/36/51/359023651.db2.gz ZLXHAXGLKRSCTF-BDAKNGLRSA-N 1 2 270.358 1.654 10 5 CDBELO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408311526 359023654 /nfs/dbraw/zinc/02/36/54/359023654.db2.gz ZLXHAXGLKRSCTF-BDAKNGLRSA-N 1 2 270.358 1.654 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368373 359124562 /nfs/dbraw/zinc/12/45/62/359124562.db2.gz QOUQWBWRLHSJOC-TXEJJXNPSA-N 1 2 294.307 1.073 10 5 CDBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338368373 359124565 /nfs/dbraw/zinc/12/45/65/359124565.db2.gz QOUQWBWRLHSJOC-TXEJJXNPSA-N 1 2 294.307 1.073 10 5 CDBELO COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC000338367363 359124759 /nfs/dbraw/zinc/12/47/59/359124759.db2.gz HJLYOHPUTBQHEA-TXEJJXNPSA-N 1 2 294.307 1.203 10 5 CDBELO COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC000338367363 359124764 /nfs/dbraw/zinc/12/47/64/359124764.db2.gz HJLYOHPUTBQHEA-TXEJJXNPSA-N 1 2 294.307 1.203 10 5 CDBELO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000339098683 359288500 /nfs/dbraw/zinc/28/85/00/359288500.db2.gz DHBITBFTGFNLSQ-ZANVPECISA-N 1 2 293.323 1.386 10 5 CDBELO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000339098683 359288502 /nfs/dbraw/zinc/28/85/02/359288502.db2.gz DHBITBFTGFNLSQ-ZANVPECISA-N 1 2 293.323 1.386 10 5 CDBELO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000170688442 368514407 /nfs/dbraw/zinc/51/44/07/368514407.db2.gz KVRGBLRWZNRJIC-NSHDSACASA-N 1 2 293.323 1.644 10 5 CDBELO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000170688442 368514410 /nfs/dbraw/zinc/51/44/10/368514410.db2.gz KVRGBLRWZNRJIC-NSHDSACASA-N 1 2 293.323 1.644 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOCC(F)F)CC2 ZINC000346550017 153225678 /nfs/dbraw/zinc/22/56/78/153225678.db2.gz JYDDMTDHOBXBHR-UHFFFAOYSA-N 1 2 287.266 1.630 10 5 CDBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOCC(F)F)CC2 ZINC000346550017 153225681 /nfs/dbraw/zinc/22/56/81/153225681.db2.gz JYDDMTDHOBXBHR-UHFFFAOYSA-N 1 2 287.266 1.630 10 5 CDBELO O=[N+]([O-])c1cnc(N2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000265505713 280379700 /nfs/dbraw/zinc/37/97/00/280379700.db2.gz JGVAFUZNUNMJQV-UHFFFAOYSA-N 1 2 282.731 1.928 10 5 CDBELO CCOC(=O)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726436 521206863 /nfs/dbraw/zinc/20/68/63/521206863.db2.gz HCQTZTPIBFSWKO-JTQLQIEISA-N 1 2 266.297 1.679 10 5 CDBELO CNc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000050814327 522610495 /nfs/dbraw/zinc/61/04/95/522610495.db2.gz XZSIJIUGEYBOQC-GFCCVEGCSA-N 1 2 293.323 1.774 10 5 CDBELO CNc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000050814327 522610505 /nfs/dbraw/zinc/61/05/05/522610505.db2.gz XZSIJIUGEYBOQC-GFCCVEGCSA-N 1 2 293.323 1.774 10 5 CDBELO O=C(Nc1cn[nH]n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001567759291 1168954383 /nfs/dbraw/zinc/95/43/83/1168954383.db2.gz OHIDQMNKHMMRHT-UHFFFAOYSA-N 1 2 299.250 1.151 10 5 CDBELO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2c[nH+]cc21 ZINC000857986970 709803154 /nfs/dbraw/zinc/80/31/54/709803154.db2.gz QHDYLHTVENLVKX-LBPRGKRZSA-N 1 2 286.291 1.595 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1Cl ZINC000783570060 710004435 /nfs/dbraw/zinc/00/44/35/710004435.db2.gz GDWXJZBYXVDTRZ-AOOOYVTPSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1Cl ZINC000783570060 710004442 /nfs/dbraw/zinc/00/44/42/710004442.db2.gz GDWXJZBYXVDTRZ-AOOOYVTPSA-N 1 2 286.715 1.176 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000840083847 711616445 /nfs/dbraw/zinc/61/64/45/711616445.db2.gz PHZAROWIAXEXFH-LBPRGKRZSA-N 1 2 290.323 1.931 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000840083847 711616447 /nfs/dbraw/zinc/61/64/47/711616447.db2.gz PHZAROWIAXEXFH-LBPRGKRZSA-N 1 2 290.323 1.931 10 5 CDBELO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2N)[nH+]c1C ZINC001137260689 931398478 /nfs/dbraw/zinc/39/84/78/931398478.db2.gz JKAWIJWGSIXLNS-UHFFFAOYSA-N 1 2 289.295 1.447 10 5 CDBELO Cn1c[nH+]c(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001275174833 931689919 /nfs/dbraw/zinc/68/99/19/931689919.db2.gz ZZJLIGSGUGULCD-UHFFFAOYSA-N 1 2 288.307 1.230 10 5 CDBELO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])o1)n1cc[nH+]c1 ZINC001149213262 932171307 /nfs/dbraw/zinc/17/13/07/932171307.db2.gz OVYWTNSAINUHRQ-UHFFFAOYSA-N 1 2 278.268 1.549 10 5 CDBELO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])nc1 ZINC001458304415 969281358 /nfs/dbraw/zinc/28/13/58/969281358.db2.gz IKIALWZNRVWTNU-UHFFFAOYSA-N 1 2 259.269 1.603 10 5 CDBELO COc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC001466329550 969943294 /nfs/dbraw/zinc/94/32/94/969943294.db2.gz SIWBNNMLLQLVSK-UHFFFAOYSA-N 1 2 276.252 1.508 10 5 CDBELO COC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590371479 342538555 /nfs/dbraw/zinc/53/85/55/342538555.db2.gz XJLVFFMLEGJQAY-NSHDSACASA-N 1 2 294.307 1.587 10 5 CDBELO COC[C@@H]1CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590371479 342538556 /nfs/dbraw/zinc/53/85/56/342538556.db2.gz XJLVFFMLEGJQAY-NSHDSACASA-N 1 2 294.307 1.587 10 5 CDBELO C[C@H](O)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000412061753 365672954 /nfs/dbraw/zinc/67/29/54/365672954.db2.gz AIOQSNANZFARMA-MJVIPROJSA-N 1 2 280.324 1.737 10 5 CDBELO C[C@H](O)[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000412061753 365672957 /nfs/dbraw/zinc/67/29/57/365672957.db2.gz AIOQSNANZFARMA-MJVIPROJSA-N 1 2 280.324 1.737 10 5 CDBELO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000611615938 346837436 /nfs/dbraw/zinc/83/74/36/346837436.db2.gz MSZNKAGFRQMZNA-LBPRGKRZSA-N 1 2 294.355 1.739 10 5 CDBELO Cc1noc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1[N+](=O)[O-] ZINC000595532419 343091004 /nfs/dbraw/zinc/09/10/04/343091004.db2.gz BSRGWEKLSUUTSF-YUMQZZPRSA-N 1 2 255.299 1.581 10 5 CDBELO Cc1noc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1[N+](=O)[O-] ZINC000595532419 343091005 /nfs/dbraw/zinc/09/10/05/343091005.db2.gz BSRGWEKLSUUTSF-YUMQZZPRSA-N 1 2 255.299 1.581 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)C[NH2+]CC2 ZINC000601942627 344289419 /nfs/dbraw/zinc/28/94/19/344289419.db2.gz LQTRBXFQXZHJBC-JTQLQIEISA-N 1 2 274.280 1.215 10 5 CDBELO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(=O)N(C)C ZINC000104317557 185966259 /nfs/dbraw/zinc/96/62/59/185966259.db2.gz NVZBVUZAJUSTON-MRVPVSSYSA-N 1 2 285.731 1.815 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1F ZINC000283208669 357542449 /nfs/dbraw/zinc/54/24/49/357542449.db2.gz RTWKEALFWXRRQS-CQSZACIVSA-N 1 2 296.298 1.725 10 5 CDBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1F ZINC000283208669 357542452 /nfs/dbraw/zinc/54/24/52/357542452.db2.gz RTWKEALFWXRRQS-CQSZACIVSA-N 1 2 296.298 1.725 10 5 CDBELO C[N@@H+]1CCOC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000599161074 358729182 /nfs/dbraw/zinc/72/91/82/358729182.db2.gz ROKGOUZSHIRXTR-QMMMGPOBSA-N 1 2 297.340 1.047 10 5 CDBELO C[N@H+]1CCOC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000599161074 358729185 /nfs/dbraw/zinc/72/91/85/358729185.db2.gz ROKGOUZSHIRXTR-QMMMGPOBSA-N 1 2 297.340 1.047 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)cs1 ZINC000494390514 393231817 /nfs/dbraw/zinc/23/18/17/393231817.db2.gz ZMLNSABECVGXFN-SECBINFHSA-N 1 2 254.311 1.613 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cs1 ZINC000494390514 393231821 /nfs/dbraw/zinc/23/18/21/393231821.db2.gz ZMLNSABECVGXFN-SECBINFHSA-N 1 2 254.311 1.613 10 5 CDBELO Cc1ccc(Cn2cc([N+](=O)[O-])ccc2=O)c(C)[nH+]1 ZINC000186343261 140059162 /nfs/dbraw/zinc/05/91/62/140059162.db2.gz BQKIMPGXRPXPHL-UHFFFAOYSA-N 1 2 259.265 1.817 10 5 CDBELO COc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000346982287 153367957 /nfs/dbraw/zinc/36/79/57/153367957.db2.gz NFHBUKFOOUYTLE-CMPLNLGQSA-N 1 2 296.323 1.185 10 5 CDBELO COc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000346982287 153367958 /nfs/dbraw/zinc/36/79/58/153367958.db2.gz NFHBUKFOOUYTLE-CMPLNLGQSA-N 1 2 296.323 1.185 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000349972850 154292422 /nfs/dbraw/zinc/29/24/22/154292422.db2.gz UDYVGSPDSUGGGG-FZMZJTMJSA-N 1 2 280.324 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000349972850 154292428 /nfs/dbraw/zinc/29/24/28/154292428.db2.gz UDYVGSPDSUGGGG-FZMZJTMJSA-N 1 2 280.324 1.485 10 5 CDBELO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000355880820 157273289 /nfs/dbraw/zinc/27/32/89/157273289.db2.gz NEHAYTAEANZELL-UHFFFAOYSA-N 1 2 276.252 1.595 10 5 CDBELO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CSC[NH2+]1 ZINC000020373459 171169732 /nfs/dbraw/zinc/16/97/32/171169732.db2.gz BWQSMAOIGFTADH-VIFPVBQESA-N 1 2 253.283 1.196 10 5 CDBELO CCCCN(C)c1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040612149 174353508 /nfs/dbraw/zinc/35/35/08/174353508.db2.gz AADKPCBBGHGPQM-UHFFFAOYSA-N 1 2 276.300 1.807 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000078723400 177376067 /nfs/dbraw/zinc/37/60/67/177376067.db2.gz ISEWGWWRLFMTEK-UHFFFAOYSA-N 1 2 289.295 1.332 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000078723400 177376068 /nfs/dbraw/zinc/37/60/68/177376068.db2.gz ISEWGWWRLFMTEK-UHFFFAOYSA-N 1 2 289.295 1.332 10 5 CDBELO C[C@H]1CSCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408311086 300389129 /nfs/dbraw/zinc/38/91/29/300389129.db2.gz XBHDXOOIJWESRP-QMMMGPOBSA-N 1 2 256.331 1.266 10 5 CDBELO C[C@H]1CSCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408311086 300389133 /nfs/dbraw/zinc/38/91/33/300389133.db2.gz XBHDXOOIJWESRP-QMMMGPOBSA-N 1 2 256.331 1.266 10 5 CDBELO CCNc1[nH+]cccc1Cn1cccc([N+](=O)[O-])c1=O ZINC000052733665 520377314 /nfs/dbraw/zinc/37/73/14/520377314.db2.gz AMSUOOKMDUHILS-UHFFFAOYSA-N 1 2 274.280 1.632 10 5 CDBELO C[NH2+][C@@H](CCOc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000062539278 522348322 /nfs/dbraw/zinc/34/83/22/522348322.db2.gz PFSIGZSVGXBFTH-NSHDSACASA-N 1 2 268.269 1.125 10 5 CDBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2CCO)cc1 ZINC000767599902 576210063 /nfs/dbraw/zinc/21/00/63/576210063.db2.gz JKFULEGEGJYJGX-CYBMUJFWSA-N 1 2 296.323 1.057 10 5 CDBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2CCO)cc1 ZINC000767599902 576210066 /nfs/dbraw/zinc/21/00/66/576210066.db2.gz JKFULEGEGJYJGX-CYBMUJFWSA-N 1 2 296.323 1.057 10 5 CDBELO C[N@H+](CCCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339120737 617452147 /nfs/dbraw/zinc/45/21/47/617452147.db2.gz SNHBNXOWIXDWPK-UHFFFAOYSA-N 1 2 254.286 1.505 10 5 CDBELO C[N@@H+](CCCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339120737 617452150 /nfs/dbraw/zinc/45/21/50/617452150.db2.gz SNHBNXOWIXDWPK-UHFFFAOYSA-N 1 2 254.286 1.505 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NC[C@@H]2c3ccccc3C[N@H+]2C)n1 ZINC001640292989 1167012232 /nfs/dbraw/zinc/01/22/32/1167012232.db2.gz VLWBVSWOXDYLQU-GFCCVEGCSA-N 1 2 287.323 1.927 10 5 CDBELO Cn1cc([N+](=O)[O-])c(NC[C@@H]2c3ccccc3C[N@@H+]2C)n1 ZINC001640292989 1167012234 /nfs/dbraw/zinc/01/22/34/1167012234.db2.gz VLWBVSWOXDYLQU-GFCCVEGCSA-N 1 2 287.323 1.927 10 5 CDBELO CCON(CC)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000858220030 712132929 /nfs/dbraw/zinc/13/29/29/712132929.db2.gz IVUXVNXUCZCFAT-UHFFFAOYSA-N 1 2 299.302 1.624 10 5 CDBELO COC(=O)N1CC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872053848 712220758 /nfs/dbraw/zinc/22/07/58/712220758.db2.gz XKGUEKQBKBTTHO-QMMMGPOBSA-N 1 2 297.286 1.835 10 5 CDBELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930654943 712343367 /nfs/dbraw/zinc/34/33/67/712343367.db2.gz FGJSFQQIWQFDAC-VIFPVBQESA-N 1 2 269.267 1.079 10 5 CDBELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930654943 712343369 /nfs/dbraw/zinc/34/33/69/712343369.db2.gz FGJSFQQIWQFDAC-VIFPVBQESA-N 1 2 269.267 1.079 10 5 CDBELO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928112 712704619 /nfs/dbraw/zinc/70/46/19/712704619.db2.gz QMCRYIAVWZWHCC-LLVKDONJSA-N 1 2 299.350 1.965 10 5 CDBELO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928112 712704621 /nfs/dbraw/zinc/70/46/21/712704621.db2.gz QMCRYIAVWZWHCC-LLVKDONJSA-N 1 2 299.350 1.965 10 5 CDBELO COC[C@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001327513436 954914886 /nfs/dbraw/zinc/91/48/86/954914886.db2.gz WHPPKGJPJHLZKH-ZDUSSCGKSA-N 1 2 266.297 1.572 10 5 CDBELO COC[C@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001327513436 954914901 /nfs/dbraw/zinc/91/49/01/954914901.db2.gz WHPPKGJPJHLZKH-ZDUSSCGKSA-N 1 2 266.297 1.572 10 5 CDBELO O=[N+]([O-])c1cccc2c1CCN(Cc1c[nH+]c[nH]1)C2 ZINC000093443721 342452993 /nfs/dbraw/zinc/45/29/93/342452993.db2.gz JNNJKBFGGOAHMW-UHFFFAOYSA-N 1 2 258.281 1.876 10 5 CDBELO O=[N+]([O-])c1cccc2c1CCN(Cc1c[nH]c[nH+]1)C2 ZINC000093443721 342452994 /nfs/dbraw/zinc/45/29/94/342452994.db2.gz JNNJKBFGGOAHMW-UHFFFAOYSA-N 1 2 258.281 1.876 10 5 CDBELO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@@H]2C1 ZINC000590444436 342546366 /nfs/dbraw/zinc/54/63/66/342546366.db2.gz LTASKRBWNCNDCF-CMPLNLGQSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)[C@@H]2C1 ZINC000590444436 342546367 /nfs/dbraw/zinc/54/63/67/342546367.db2.gz LTASKRBWNCNDCF-CMPLNLGQSA-N 1 2 291.307 1.077 10 5 CDBELO NC(=O)[C@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000593495886 342807687 /nfs/dbraw/zinc/80/76/87/342807687.db2.gz UDKFKCXHMDPKOY-AOOOYVTPSA-N 1 2 286.291 1.819 10 5 CDBELO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)[NH2+]1 ZINC000598532454 343827360 /nfs/dbraw/zinc/82/73/60/343827360.db2.gz ZDGBRHMNXIPDAK-VHSXEESVSA-N 1 2 293.323 1.513 10 5 CDBELO C[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000302822856 362355994 /nfs/dbraw/zinc/35/59/94/362355994.db2.gz TXQZWVFVBUFIQP-JTQLQIEISA-N 1 2 283.303 1.867 10 5 CDBELO COC[C@]1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599694772 344123454 /nfs/dbraw/zinc/12/34/54/344123454.db2.gz UZPZZORQJZTTFY-AWEZNQCLSA-N 1 2 280.324 1.832 10 5 CDBELO COC[C@]1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000599694772 344123457 /nfs/dbraw/zinc/12/34/57/344123457.db2.gz UZPZZORQJZTTFY-AWEZNQCLSA-N 1 2 280.324 1.832 10 5 CDBELO CCN1OC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000616016675 349244669 /nfs/dbraw/zinc/24/46/69/349244669.db2.gz BOFWMJUZGSMPQY-JQWIXIFHSA-N 1 2 293.323 1.716 10 5 CDBELO COc1cc(NC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1F ZINC000123567200 187098475 /nfs/dbraw/zinc/09/84/75/187098475.db2.gz FPSNEFYFACBHFU-SECBINFHSA-N 1 2 299.302 1.485 10 5 CDBELO COc1cc(NC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1F ZINC000123567200 187098476 /nfs/dbraw/zinc/09/84/76/187098476.db2.gz FPSNEFYFACBHFU-SECBINFHSA-N 1 2 299.302 1.485 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1SC[C@@H]1C[N@H+](C)CCO1 ZINC000567767420 358733206 /nfs/dbraw/zinc/73/32/06/358733206.db2.gz MKLLRSWMIPYEBI-NSHDSACASA-N 1 2 283.353 1.721 10 5 CDBELO Cc1cc([N+](=O)[O-])cnc1SC[C@@H]1C[N@@H+](C)CCO1 ZINC000567767420 358733208 /nfs/dbraw/zinc/73/32/08/358733208.db2.gz MKLLRSWMIPYEBI-NSHDSACASA-N 1 2 283.353 1.721 10 5 CDBELO CCOC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000342627768 359166675 /nfs/dbraw/zinc/16/66/75/359166675.db2.gz DSLRXRAZFYUZPN-UHFFFAOYSA-N 1 2 296.327 1.209 10 5 CDBELO CCOC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC1 ZINC000342627768 359166677 /nfs/dbraw/zinc/16/66/77/359166677.db2.gz DSLRXRAZFYUZPN-UHFFFAOYSA-N 1 2 296.327 1.209 10 5 CDBELO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000298319303 200394319 /nfs/dbraw/zinc/39/43/19/200394319.db2.gz SWWWGISYQQMEIE-UHFFFAOYSA-N 1 2 283.353 1.742 10 5 CDBELO Cc1ccc(OCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000090367327 367033361 /nfs/dbraw/zinc/03/33/61/367033361.db2.gz CHTKLUUMJHBAKM-UHFFFAOYSA-N 1 2 266.297 1.614 10 5 CDBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000371282608 374414648 /nfs/dbraw/zinc/41/46/48/374414648.db2.gz ZJBLUVUITHTDIO-SNVBAGLBSA-N 1 2 286.291 1.605 10 5 CDBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000371282608 374414650 /nfs/dbraw/zinc/41/46/50/374414650.db2.gz ZJBLUVUITHTDIO-SNVBAGLBSA-N 1 2 286.291 1.605 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1c([N+](=O)[O-])c(C)nn1C)CC2 ZINC000371706621 374422676 /nfs/dbraw/zinc/42/26/76/374422676.db2.gz JPLPMMMBZROGEZ-UHFFFAOYSA-N 1 2 276.300 1.162 10 5 CDBELO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330443732 374854243 /nfs/dbraw/zinc/85/42/43/374854243.db2.gz BPFHOXOGNBJCHJ-GHMZBOCLSA-N 1 2 279.340 1.825 10 5 CDBELO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000517563097 391170380 /nfs/dbraw/zinc/17/03/80/391170380.db2.gz HMZCXIVADJFKHU-QMMMGPOBSA-N 1 2 267.285 1.627 10 5 CDBELO C[NH+]1CC2(C1)CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])C2 ZINC000597568063 392755733 /nfs/dbraw/zinc/75/57/33/392755733.db2.gz IXCYTILYZKCOOY-UHFFFAOYSA-N 1 2 291.307 1.078 10 5 CDBELO CC(=O)N[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000420988341 392924031 /nfs/dbraw/zinc/92/40/31/392924031.db2.gz QCNQMZRBJIRLQM-SNVBAGLBSA-N 1 2 269.326 1.367 10 5 CDBELO CC(=O)N[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000420988341 392924034 /nfs/dbraw/zinc/92/40/34/392924034.db2.gz QCNQMZRBJIRLQM-SNVBAGLBSA-N 1 2 269.326 1.367 10 5 CDBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532388385 393073654 /nfs/dbraw/zinc/07/36/54/393073654.db2.gz MHYIPTNJBNSPDL-VIFPVBQESA-N 1 2 275.268 1.005 10 5 CDBELO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc[nH]1 ZINC001663513930 1172712955 /nfs/dbraw/zinc/71/29/55/1172712955.db2.gz IIMNTPYKMHIZMD-YHYXMXQVSA-N 1 2 273.296 1.906 10 5 CDBELO C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000217316073 140163281 /nfs/dbraw/zinc/16/32/81/140163281.db2.gz BFUKRPUCENMSMX-ZJUUUORDSA-N 1 2 293.323 1.513 10 5 CDBELO O=[N+]([O-])c1ccc2[nH]c(NCCn3cc[nH+]c3)nc2c1 ZINC000094771772 147094486 /nfs/dbraw/zinc/09/44/86/147094486.db2.gz UGKCCGULPAMLLU-UHFFFAOYSA-N 1 2 272.268 1.780 10 5 CDBELO COc1cc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352536090 155257500 /nfs/dbraw/zinc/25/75/00/155257500.db2.gz ZEAXJOCEUAGOSC-PWSUYJOCSA-N 1 2 296.323 1.185 10 5 CDBELO COc1cc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352536090 155257503 /nfs/dbraw/zinc/25/75/03/155257503.db2.gz ZEAXJOCEUAGOSC-PWSUYJOCSA-N 1 2 296.323 1.185 10 5 CDBELO CCn1ncnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000355577883 157125885 /nfs/dbraw/zinc/12/58/85/157125885.db2.gz DMSHPHMISRJCBE-UHFFFAOYSA-N 1 2 275.312 1.804 10 5 CDBELO Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363891680 159351040 /nfs/dbraw/zinc/35/10/40/159351040.db2.gz UMVADSHXXWYTJG-AWEZNQCLSA-N 1 2 291.351 1.420 10 5 CDBELO Cc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363891680 159351041 /nfs/dbraw/zinc/35/10/41/159351041.db2.gz UMVADSHXXWYTJG-AWEZNQCLSA-N 1 2 291.351 1.420 10 5 CDBELO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000343271401 286899891 /nfs/dbraw/zinc/89/98/91/286899891.db2.gz HHXFUVAIYSGVLL-JTQLQIEISA-N 1 2 276.296 1.675 10 5 CDBELO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CSC[NH2+]1 ZINC000043474408 175054231 /nfs/dbraw/zinc/05/42/31/175054231.db2.gz XTIJSLNUKWCRNN-SECBINFHSA-N 1 2 271.273 1.335 10 5 CDBELO Cc1nc(N)c(CNC(=O)c2ccc([N+](=O)[O-])s2)c[nH+]1 ZINC000552183192 290057017 /nfs/dbraw/zinc/05/70/17/290057017.db2.gz GADHFGMMHLUGMS-UHFFFAOYSA-N 1 2 293.308 1.097 10 5 CDBELO Cc1ncc([N+](=O)[O-])n1CCSc1nc(N)cc(C)[nH+]1 ZINC000148592370 1159202600 /nfs/dbraw/zinc/20/26/00/1159202600.db2.gz VHUNLRRAURTBPR-UHFFFAOYSA-N 1 2 294.340 1.573 10 5 CDBELO Cc1[nH]c(CNc2cc3c(cc2[N+](=O)[O-])OCO3)c[nH+]1 ZINC000054821797 526896594 /nfs/dbraw/zinc/89/65/94/526896594.db2.gz DTMKFZVTHXHTDR-UHFFFAOYSA-N 1 2 276.252 1.967 10 5 CDBELO Cc1[nH]cc(CNc2cc3c(cc2[N+](=O)[O-])OCO3)[nH+]1 ZINC000054821797 526896602 /nfs/dbraw/zinc/89/66/02/526896602.db2.gz DTMKFZVTHXHTDR-UHFFFAOYSA-N 1 2 276.252 1.967 10 5 CDBELO Nc1cc(N)[nH+]c(Sc2ccc([N+](=O)[O-])cc2N)n1 ZINC000052841900 527457626 /nfs/dbraw/zinc/45/76/26/527457626.db2.gz FKQAHIONSCQACC-UHFFFAOYSA-N 1 2 278.297 1.283 10 5 CDBELO Nc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc[nH+]cc2)c1 ZINC000050649707 527502797 /nfs/dbraw/zinc/50/27/97/527502797.db2.gz VDEXSNZOAHYKFY-UHFFFAOYSA-N 1 2 294.292 1.373 10 5 CDBELO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000933166296 617370216 /nfs/dbraw/zinc/37/02/16/617370216.db2.gz RKXGVQQKTZQCLY-NXEZZACHSA-N 1 2 296.327 1.102 10 5 CDBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000933166296 617370218 /nfs/dbraw/zinc/37/02/18/617370218.db2.gz RKXGVQQKTZQCLY-NXEZZACHSA-N 1 2 296.327 1.102 10 5 CDBELO CCOC(=O)C1(CC(F)F)CC[NH+](CC[N+](=O)[O-])CC1 ZINC001620665542 1165664396 /nfs/dbraw/zinc/66/43/96/1165664396.db2.gz MJFVRRYVIGOKHB-UHFFFAOYSA-N 1 2 294.298 1.564 10 5 CDBELO C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001639634182 1166958660 /nfs/dbraw/zinc/95/86/60/1166958660.db2.gz XYWLFXOSYVMLAG-SNVBAGLBSA-N 1 2 288.307 1.780 10 5 CDBELO CCc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)c[nH+]1 ZINC001597257251 1174264305 /nfs/dbraw/zinc/26/43/05/1174264305.db2.gz GXTJOONLIGJEFJ-UHFFFAOYSA-N 1 2 289.295 1.514 10 5 CDBELO CCc1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)[nH+]1 ZINC001597257251 1174264311 /nfs/dbraw/zinc/26/43/11/1174264311.db2.gz GXTJOONLIGJEFJ-UHFFFAOYSA-N 1 2 289.295 1.514 10 5 CDBELO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814036081 1164022727 /nfs/dbraw/zinc/02/27/27/1164022727.db2.gz GHIRSMHLENCYIS-YPMHNXCESA-N 1 2 280.324 1.888 10 5 CDBELO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814036081 1164022734 /nfs/dbraw/zinc/02/27/34/1164022734.db2.gz GHIRSMHLENCYIS-YPMHNXCESA-N 1 2 280.324 1.888 10 5 CDBELO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019560 1165372985 /nfs/dbraw/zinc/37/29/85/1165372985.db2.gz ZVJJXPIQZQPRFP-RKDXNWHRSA-N 1 2 283.303 1.909 10 5 CDBELO CN(C)C(=O)C1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000839631737 936916978 /nfs/dbraw/zinc/91/69/78/936916978.db2.gz BOZJAQMRQNRLBS-UHFFFAOYSA-N 1 2 297.742 1.959 10 5 CDBELO CC(C)c1[nH]cc(CNc2c([N+](=O)[O-])cnn2C)[nH+]1 ZINC001164225089 939434645 /nfs/dbraw/zinc/43/46/45/939434645.db2.gz ANABGUYPMHNBBD-UHFFFAOYSA-N 1 2 264.289 1.787 10 5 CDBELO CC(C)c1[nH]c(CNc2c([N+](=O)[O-])cnn2C)c[nH+]1 ZINC001164225089 939434647 /nfs/dbraw/zinc/43/46/47/939434647.db2.gz ANABGUYPMHNBBD-UHFFFAOYSA-N 1 2 264.289 1.787 10 5 CDBELO Cn1ccnc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150465 342482475 /nfs/dbraw/zinc/48/24/75/342482475.db2.gz XUBPRTLFJADKQW-CQSZACIVSA-N 1 2 290.323 1.326 10 5 CDBELO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000590447463 342546846 /nfs/dbraw/zinc/54/68/46/342546846.db2.gz XRBKSOCTCWNOPZ-RNCFNFMXSA-N 1 2 291.307 1.077 10 5 CDBELO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000590447463 342546847 /nfs/dbraw/zinc/54/68/47/342546847.db2.gz XRBKSOCTCWNOPZ-RNCFNFMXSA-N 1 2 291.307 1.077 10 5 CDBELO CCn1nc(C)c([N+](=O)[O-])c1N1CCn2cc(C)[nH+]c2C1 ZINC000619489617 349745385 /nfs/dbraw/zinc/74/53/85/349745385.db2.gz VAACQQTUTFZHRJ-UHFFFAOYSA-N 1 2 290.327 1.645 10 5 CDBELO Cc1c([C@@H](C)[NH2+]Cc2cn(C)nn2)cccc1[N+](=O)[O-] ZINC000611973456 346941242 /nfs/dbraw/zinc/94/12/42/346941242.db2.gz CLCHKKHUMRFZOC-SNVBAGLBSA-N 1 2 275.312 1.883 10 5 CDBELO C[C@](O)(CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599070433 343949086 /nfs/dbraw/zinc/94/90/86/343949086.db2.gz HPKTWLFCKMIAAR-CYBMUJFWSA-N 1 2 277.280 1.298 10 5 CDBELO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000610576154 346316657 /nfs/dbraw/zinc/31/66/57/346316657.db2.gz VYOXVDJYFWQSPI-RISCZKNCSA-N 1 2 292.339 1.147 10 5 CDBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000339112386 359291333 /nfs/dbraw/zinc/29/13/33/359291333.db2.gz NRECSVCSXJNHMU-UHFFFAOYSA-N 1 2 266.297 1.505 10 5 CDBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000339112386 359291336 /nfs/dbraw/zinc/29/13/36/359291336.db2.gz NRECSVCSXJNHMU-UHFFFAOYSA-N 1 2 266.297 1.505 10 5 CDBELO COc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339586292 359416440 /nfs/dbraw/zinc/41/64/40/359416440.db2.gz HAGGUMZLOCTNJR-JTQLQIEISA-N 1 2 266.297 1.824 10 5 CDBELO COc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339586292 359416441 /nfs/dbraw/zinc/41/64/41/359416441.db2.gz HAGGUMZLOCTNJR-JTQLQIEISA-N 1 2 266.297 1.824 10 5 CDBELO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449712013 374825304 /nfs/dbraw/zinc/82/53/04/374825304.db2.gz GAIYQEBDYDRRLW-DGCLKSJQSA-N 1 2 282.296 1.194 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])s1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195039531 375977038 /nfs/dbraw/zinc/97/70/38/375977038.db2.gz MJOXAQCZDGQCME-JTQLQIEISA-N 1 2 295.364 1.967 10 5 CDBELO O=C(c1ccc([N+](=O)[O-])s1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195039531 375977042 /nfs/dbraw/zinc/97/70/42/375977042.db2.gz MJOXAQCZDGQCME-JTQLQIEISA-N 1 2 295.364 1.967 10 5 CDBELO Cn1c[nH+]cc1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357586790 375918145 /nfs/dbraw/zinc/91/81/45/375918145.db2.gz YVKUGVQDQRCQFD-UHFFFAOYSA-N 1 2 284.279 1.306 10 5 CDBELO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])cn1)CC2 ZINC000371707479 392979173 /nfs/dbraw/zinc/97/91/73/392979173.db2.gz OOUOBSXPGYRKMA-UHFFFAOYSA-N 1 2 259.269 1.515 10 5 CDBELO COc1nccnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000449276417 393132254 /nfs/dbraw/zinc/13/22/54/393132254.db2.gz BNCOCDROOGWMDY-UHFFFAOYSA-N 1 2 288.307 1.992 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189313232 140112954 /nfs/dbraw/zinc/11/29/54/140112954.db2.gz UGXRBXIQRGQQJU-SNVBAGLBSA-N 1 2 293.323 1.314 10 5 CDBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189313232 140112956 /nfs/dbraw/zinc/11/29/56/140112956.db2.gz UGXRBXIQRGQQJU-SNVBAGLBSA-N 1 2 293.323 1.314 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285171165 196213049 /nfs/dbraw/zinc/21/30/49/196213049.db2.gz BCWGLVGSKVDRKL-OAHLLOKOSA-N 1 2 292.335 1.976 10 5 CDBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285171165 196213051 /nfs/dbraw/zinc/21/30/51/196213051.db2.gz BCWGLVGSKVDRKL-OAHLLOKOSA-N 1 2 292.335 1.976 10 5 CDBELO CC(C)([NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F)C(N)=O ZINC000040674744 174373326 /nfs/dbraw/zinc/37/33/26/174373326.db2.gz RVVMSCMEMFKYFD-UHFFFAOYSA-N 1 2 273.239 1.227 10 5 CDBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576886996 317227019 /nfs/dbraw/zinc/22/70/19/317227019.db2.gz PZEUDOJRROXJHU-UHFFFAOYSA-N 1 2 292.339 1.917 10 5 CDBELO CCC[NH2+][C@H](COc1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000045462086 520085349 /nfs/dbraw/zinc/08/53/49/520085349.db2.gz MEZYVGFHRWLGHF-CYBMUJFWSA-N 1 2 296.323 1.905 10 5 CDBELO CC[NH2+][C@@H](CCOc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000062539210 520092221 /nfs/dbraw/zinc/09/22/21/520092221.db2.gz VSDJUDSKGFVVDU-LBPRGKRZSA-N 1 2 282.296 1.515 10 5 CDBELO CCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680600 523485896 /nfs/dbraw/zinc/48/58/96/523485896.db2.gz VBQYWGXLLIOXHZ-UHFFFAOYSA-N 1 2 275.268 1.646 10 5 CDBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1C[NH2+]C1 ZINC000235422740 524247578 /nfs/dbraw/zinc/24/75/78/524247578.db2.gz JOYFDBVXNOOHCN-SSDOTTSWSA-N 1 2 265.269 1.094 10 5 CDBELO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)ccc1O ZINC000725269279 538460525 /nfs/dbraw/zinc/46/05/25/538460525.db2.gz JEVDKURMTOTNHP-NWDGAFQWSA-N 1 2 278.308 1.815 10 5 CDBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc1Cl ZINC000768549178 576295370 /nfs/dbraw/zinc/29/53/70/576295370.db2.gz SWHMKZYHIIKEOG-AOOOYVTPSA-N 1 2 286.715 1.176 10 5 CDBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)ccc1Cl ZINC000768549178 576295371 /nfs/dbraw/zinc/29/53/71/576295371.db2.gz SWHMKZYHIIKEOG-AOOOYVTPSA-N 1 2 286.715 1.176 10 5 CDBELO Cc1cc([N+](=O)[O-])ccc1C(=O)OCC[NH+]1CCOCC1 ZINC000747697154 576880719 /nfs/dbraw/zinc/88/07/19/576880719.db2.gz FDKPWUILJBQNIU-UHFFFAOYSA-N 1 2 294.307 1.392 10 5 CDBELO Cc1sc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748348007 576907309 /nfs/dbraw/zinc/90/73/09/576907309.db2.gz XIVXGZOBOBHHMN-QMMMGPOBSA-N 1 2 283.353 1.741 10 5 CDBELO Cc1sc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748348007 576907310 /nfs/dbraw/zinc/90/73/10/576907310.db2.gz XIVXGZOBOBHHMN-QMMMGPOBSA-N 1 2 283.353 1.741 10 5 CDBELO O=C(NCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001615846894 1165560411 /nfs/dbraw/zinc/56/04/11/1165560411.db2.gz RAILTAJFZSPGKN-UHFFFAOYSA-N 1 2 289.335 1.479 10 5 CDBELO O=C(NCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001615846894 1165560416 /nfs/dbraw/zinc/56/04/16/1165560416.db2.gz RAILTAJFZSPGKN-UHFFFAOYSA-N 1 2 289.335 1.479 10 5 CDBELO C[C@@](CO)([NH2+]Cc1cnns1)c1cccc([N+](=O)[O-])c1 ZINC001620495067 1165654667 /nfs/dbraw/zinc/65/46/67/1165654667.db2.gz DWWSWBPCUFLNAK-LBPRGKRZSA-N 1 2 294.336 1.444 10 5 CDBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1F ZINC001641433033 1167107592 /nfs/dbraw/zinc/10/75/92/1167107592.db2.gz GBHUPRDEOGEJJH-LLVKDONJSA-N 1 2 290.254 1.805 10 5 CDBELO Cc1[nH]c(CNc2ncc([N+](=O)[O-])cc2C(N)=O)[nH+]c1C ZINC001651438163 1171323970 /nfs/dbraw/zinc/32/39/70/1171323970.db2.gz DEUWCJQFHFQFHW-UHFFFAOYSA-N 1 2 290.283 1.041 10 5 CDBELO Cn1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001655068463 1171664119 /nfs/dbraw/zinc/66/41/19/1171664119.db2.gz CUDHMGUWFLQCRD-CQSZACIVSA-N 1 2 290.323 1.494 10 5 CDBELO Cn1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC001655068463 1171664128 /nfs/dbraw/zinc/66/41/28/1171664128.db2.gz CUDHMGUWFLQCRD-CQSZACIVSA-N 1 2 290.323 1.494 10 5 CDBELO