smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000368463207 168359799 /nfs/dbraw/zinc/35/97/99/168359799.db2.gz SSMMFFMPSXJVSO-UHFFFAOYSA-N 1 2 348.790 3.053 20 5 EGBDLO O=C(C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000187659756 236270584 /nfs/dbraw/zinc/27/05/84/236270584.db2.gz GULQTFCLBDRSGD-HWKANZROSA-N 1 2 342.317 3.451 20 5 EGBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000023668357 212389365 /nfs/dbraw/zinc/38/93/65/212389365.db2.gz AAHJQAMVOUUEPR-SNVBAGLBSA-N 1 2 349.337 3.165 20 5 EGBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000023668357 212389362 /nfs/dbraw/zinc/38/93/62/212389362.db2.gz AAHJQAMVOUUEPR-SNVBAGLBSA-N 1 2 349.337 3.165 20 5 EGBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000106879446 204217399 /nfs/dbraw/zinc/21/73/99/204217399.db2.gz YUSSHOMVQZAEMU-LLVKDONJSA-N 1 2 348.428 3.300 20 5 EGBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000106879446 204217404 /nfs/dbraw/zinc/21/74/04/204217404.db2.gz YUSSHOMVQZAEMU-LLVKDONJSA-N 1 2 348.428 3.300 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000125382156 205007633 /nfs/dbraw/zinc/00/76/33/205007633.db2.gz KIVVNEJXEQFRJK-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000125382156 205007638 /nfs/dbraw/zinc/00/76/38/205007638.db2.gz KIVVNEJXEQFRJK-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000128129476 205134146 /nfs/dbraw/zinc/13/41/46/205134146.db2.gz VYRPFVKWDXURTL-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000128129476 205134150 /nfs/dbraw/zinc/13/41/50/205134150.db2.gz VYRPFVKWDXURTL-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374781329 285082578 /nfs/dbraw/zinc/08/25/78/285082578.db2.gz NXNBFRYAQHZGHB-LLVKDONJSA-N 1 2 337.177 3.422 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347973174 141226490 /nfs/dbraw/zinc/22/64/90/141226490.db2.gz UEOKTWARJCPMHD-UHFFFAOYSA-N 1 2 328.303 3.031 20 5 EGBDLO C[C@@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000351510895 144271921 /nfs/dbraw/zinc/27/19/21/144271921.db2.gz AIZVGUHUGPNKDT-SECBINFHSA-N 1 2 346.168 3.184 20 5 EGBDLO C[C@@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000351510895 144271923 /nfs/dbraw/zinc/27/19/23/144271923.db2.gz AIZVGUHUGPNKDT-SECBINFHSA-N 1 2 346.168 3.184 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000348933723 156293312 /nfs/dbraw/zinc/29/33/12/156293312.db2.gz KWGDYHPKIKTKBX-OAHLLOKOSA-N 1 2 343.383 3.344 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000348933723 156293316 /nfs/dbraw/zinc/29/33/16/156293316.db2.gz KWGDYHPKIKTKBX-OAHLLOKOSA-N 1 2 343.383 3.344 20 5 EGBDLO COCC[N@H+](CCCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338933089 163392052 /nfs/dbraw/zinc/39/20/52/163392052.db2.gz GNFHMCBQIJCPNF-UHFFFAOYSA-N 1 2 344.411 3.382 20 5 EGBDLO COCC[N@@H+](CCCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338933089 163392054 /nfs/dbraw/zinc/39/20/54/163392054.db2.gz GNFHMCBQIJCPNF-UHFFFAOYSA-N 1 2 344.411 3.382 20 5 EGBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000346377906 164376808 /nfs/dbraw/zinc/37/68/08/164376808.db2.gz BSBKSKWDIITUMC-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000367848786 168277374 /nfs/dbraw/zinc/27/73/74/168277374.db2.gz MVEKKNYSVSHIMQ-HZPDHXFCSA-N 1 2 344.415 3.006 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000367848786 168277375 /nfs/dbraw/zinc/27/73/75/168277375.db2.gz MVEKKNYSVSHIMQ-HZPDHXFCSA-N 1 2 344.415 3.006 20 5 EGBDLO COCCOc1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316308 265372792 /nfs/dbraw/zinc/37/27/92/265372792.db2.gz GCBQJJBWLYVASQ-UHFFFAOYSA-N 1 2 330.384 3.252 20 5 EGBDLO COCCOc1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316308 265372794 /nfs/dbraw/zinc/37/27/94/265372794.db2.gz GCBQJJBWLYVASQ-UHFFFAOYSA-N 1 2 330.384 3.252 20 5 EGBDLO Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000274842228 267294937 /nfs/dbraw/zinc/29/49/37/267294937.db2.gz UMOYVBBAYQMHGM-UHFFFAOYSA-N 1 2 329.360 3.038 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCc4occc4C3)o2)cc1 ZINC000288723530 276245534 /nfs/dbraw/zinc/24/55/34/276245534.db2.gz GAMHBFMSQIBKEJ-UHFFFAOYSA-N 1 2 340.339 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCc4occc4C3)o2)cc1 ZINC000288723530 276245536 /nfs/dbraw/zinc/24/55/36/276245536.db2.gz GAMHBFMSQIBKEJ-UHFFFAOYSA-N 1 2 340.339 3.186 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000289452208 276341089 /nfs/dbraw/zinc/34/10/89/276341089.db2.gz FQUZDCYAEZFNIR-HZPDHXFCSA-N 1 2 338.354 3.407 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000289452208 276341090 /nfs/dbraw/zinc/34/10/90/276341090.db2.gz FQUZDCYAEZFNIR-HZPDHXFCSA-N 1 2 338.354 3.407 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000338394995 280374781 /nfs/dbraw/zinc/37/47/81/280374781.db2.gz FWLGKYVPPDUGNS-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000366572095 288743130 /nfs/dbraw/zinc/74/31/30/288743130.db2.gz ALHXFERSDIPWRI-LLVKDONJSA-N 1 2 346.416 3.252 20 5 EGBDLO Cc1cc(N[C@H]2CS[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413513126 309035182 /nfs/dbraw/zinc/03/51/82/309035182.db2.gz IMTCPBHRBCGDKA-DGCLKSJQSA-N 1 2 330.413 3.088 20 5 EGBDLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000053145858 307334784 /nfs/dbraw/zinc/33/47/84/307334784.db2.gz KQGVIAVLWIHLEN-NSHDSACASA-N 1 2 348.428 3.127 20 5 EGBDLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000053145858 307334785 /nfs/dbraw/zinc/33/47/85/307334785.db2.gz KQGVIAVLWIHLEN-NSHDSACASA-N 1 2 348.428 3.127 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000065533307 307359383 /nfs/dbraw/zinc/35/93/83/307359383.db2.gz XQSDGGQJFLTACI-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000065533307 307359384 /nfs/dbraw/zinc/35/93/84/307359384.db2.gz XQSDGGQJFLTACI-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO CSCc1cnc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000294610849 308237825 /nfs/dbraw/zinc/23/78/25/308237825.db2.gz ILQQJSZYBAXCCC-UHFFFAOYSA-N 1 2 349.441 3.080 20 5 EGBDLO Cc1cc(N[C@@H](C)CC(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000294901179 308269673 /nfs/dbraw/zinc/26/96/73/308269673.db2.gz DWCFRSZQWIEEMI-LBPRGKRZSA-N 1 2 330.388 3.322 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000301419695 308699521 /nfs/dbraw/zinc/69/95/21/308699521.db2.gz RWJGBMQHGMQWRP-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO CCn1c(CCNc2ncc([N+](=O)[O-])cc2F)[nH+]c2ccccc21 ZINC000413105537 309016462 /nfs/dbraw/zinc/01/64/62/309016462.db2.gz ZFIVTQHOQNYRRP-UHFFFAOYSA-N 1 2 329.335 3.153 20 5 EGBDLO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)c2[nH+]ccn21 ZINC000413310882 309026181 /nfs/dbraw/zinc/02/61/81/309026181.db2.gz DJBJFGRLCPMIBL-GMSGAONNSA-N 1 2 327.266 3.323 20 5 EGBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417386442 309203938 /nfs/dbraw/zinc/20/39/38/309203938.db2.gz YLCXUBPTQHHWOI-IRXDYDNUSA-N 1 2 346.431 3.068 20 5 EGBDLO COCCCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419025466 309259673 /nfs/dbraw/zinc/25/96/73/309259673.db2.gz SLEBDKFGJCEKMM-UHFFFAOYSA-N 1 2 330.388 3.223 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421580502 309330641 /nfs/dbraw/zinc/33/06/41/309330641.db2.gz WOMNPTRSHKFDMM-QGZVFWFLSA-N 1 2 341.411 3.492 20 5 EGBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2Nc2ccc3c(c2)CC[NH2+]3)n1 ZINC000423207574 309390560 /nfs/dbraw/zinc/39/05/60/309390560.db2.gz CYPAEZQVBUULHS-HOTGVXAUSA-N 1 2 327.388 3.355 20 5 EGBDLO C[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000432315263 309657101 /nfs/dbraw/zinc/65/71/01/309657101.db2.gz QOOJYMCZBUQJLQ-DYVFJYSZSA-N 1 2 337.383 3.427 20 5 EGBDLO CC(C)OCc1nc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC000449335908 310054354 /nfs/dbraw/zinc/05/43/54/310054354.db2.gz MDDGERKEERBYSK-QWHCGFSZSA-N 1 2 348.403 3.185 20 5 EGBDLO CC1(C)CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450353053 310117391 /nfs/dbraw/zinc/11/73/91/310117391.db2.gz DBOVYRSHRIPZBU-CYBMUJFWSA-N 1 2 328.372 3.089 20 5 EGBDLO O=C(N[C@H]1CC12CCCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450371400 310118641 /nfs/dbraw/zinc/11/86/41/310118641.db2.gz HDHWCYUYXSJIMB-INIZCTEOSA-N 1 2 340.383 3.233 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450826612 310144353 /nfs/dbraw/zinc/14/43/53/310144353.db2.gz GKGQWVLAMAKKSU-GWCFXTLKSA-N 1 2 330.344 3.004 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(C2CCCC2)C1 ZINC000451362949 310174167 /nfs/dbraw/zinc/17/41/67/310174167.db2.gz RRCNZRHQBCGBHK-UHFFFAOYSA-N 1 2 340.383 3.043 20 5 EGBDLO CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548042 310184973 /nfs/dbraw/zinc/18/49/73/310184973.db2.gz MCJYEPLOHUCYAA-GXTWGEPZSA-N 1 2 346.387 3.065 20 5 EGBDLO CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548042 310184974 /nfs/dbraw/zinc/18/49/74/310184974.db2.gz MCJYEPLOHUCYAA-GXTWGEPZSA-N 1 2 346.387 3.065 20 5 EGBDLO CSc1cccc(C(=O)Nc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000452336593 310224055 /nfs/dbraw/zinc/22/40/55/310224055.db2.gz WDTPYFMBTLCQPI-UHFFFAOYSA-N 1 2 332.385 3.102 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454944292 310336845 /nfs/dbraw/zinc/33/68/45/310336845.db2.gz QFHIPKGVQGYHNR-PWSUYJOCSA-N 1 2 329.360 3.236 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000459069572 310532525 /nfs/dbraw/zinc/53/25/25/310532525.db2.gz XKHDRWAKVQPDKJ-LBPRGKRZSA-N 1 2 345.403 3.107 20 5 EGBDLO Cc1ccc(CNc2[nH+]c3c(cccc3Cl)n2C)cc1[N+](=O)[O-] ZINC000464338299 310619786 /nfs/dbraw/zinc/61/97/86/310619786.db2.gz PPRQGMQQFPYCRV-UHFFFAOYSA-N 1 2 330.775 3.477 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000470177872 310719423 /nfs/dbraw/zinc/71/94/23/310719423.db2.gz VIKUJERFEMPABA-LCYFTJDESA-N 1 2 343.349 3.178 20 5 EGBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCCNc1cccc[nH+]1 ZINC000491508343 311182467 /nfs/dbraw/zinc/18/24/67/311182467.db2.gz XOQVAUNHJOQOKG-ZHACJKMWSA-N 1 2 340.383 3.012 20 5 EGBDLO CCOc1cc(C[NH2+][C@H](COC)c2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000491607045 311186311 /nfs/dbraw/zinc/18/63/11/311186311.db2.gz KYMKBVXQFURMAQ-CQSZACIVSA-N 1 2 334.372 3.372 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000493252982 311349642 /nfs/dbraw/zinc/34/96/42/311349642.db2.gz IIJAQPNQFWYPFS-LBPRGKRZSA-N 1 2 338.713 3.137 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000493252982 311349644 /nfs/dbraw/zinc/34/96/44/311349644.db2.gz IIJAQPNQFWYPFS-LBPRGKRZSA-N 1 2 338.713 3.137 20 5 EGBDLO CCCN(C(=O)/C=C\c1[nH+]ccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000493519505 311389050 /nfs/dbraw/zinc/38/90/50/311389050.db2.gz HLQUUBONSUHLRN-HJWRWDBZSA-N 1 2 328.372 3.268 20 5 EGBDLO CCOC(=O)N1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000496437199 311712451 /nfs/dbraw/zinc/71/24/51/311712451.db2.gz ZQSGKPKTOQUCCR-UHFFFAOYSA-N 1 2 344.371 3.176 20 5 EGBDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506279173 312046418 /nfs/dbraw/zinc/04/64/18/312046418.db2.gz JGJDZKIJJHHLED-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506279173 312046421 /nfs/dbraw/zinc/04/64/21/312046421.db2.gz JGJDZKIJJHHLED-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000506943799 312055751 /nfs/dbraw/zinc/05/57/51/312055751.db2.gz RGXDWQXDJRTBBL-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCCOC2)O1 ZINC000514736177 312242641 /nfs/dbraw/zinc/24/26/41/312242641.db2.gz IDDGDBRYCSWHIJ-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCCOC2)O1 ZINC000514736177 312242642 /nfs/dbraw/zinc/24/26/42/312242642.db2.gz IDDGDBRYCSWHIJ-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000537562541 314188821 /nfs/dbraw/zinc/18/88/21/314188821.db2.gz TVMHPGVJDAKYIW-UHFFFAOYSA-N 1 2 342.395 3.121 20 5 EGBDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000537562541 314188824 /nfs/dbraw/zinc/18/88/24/314188824.db2.gz TVMHPGVJDAKYIW-UHFFFAOYSA-N 1 2 342.395 3.121 20 5 EGBDLO Cc1nn(C)c(NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1[N+](=O)[O-] ZINC000563730783 316062889 /nfs/dbraw/zinc/06/28/89/316062889.db2.gz JWBFUCYLNCMKLX-UHFFFAOYSA-N 1 2 340.387 3.013 20 5 EGBDLO Cc1cccn2cc(Cc3noc(-c4cccc([N+](=O)[O-])c4)n3)[nH+]c12 ZINC000570151587 317014109 /nfs/dbraw/zinc/01/41/09/317014109.db2.gz OBHOQLKLFQBQEK-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO Cc1cc(NCCCn2cc[nH+]c2)c(Br)cc1[N+](=O)[O-] ZINC000235879144 456154111 /nfs/dbraw/zinc/15/41/11/456154111.db2.gz GPNAXTSSLJREMO-UHFFFAOYSA-N 1 2 339.193 3.364 20 5 EGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000580902550 325308002 /nfs/dbraw/zinc/30/80/02/325308002.db2.gz JUWUNKKVTNQEFN-JOYOIKCWSA-N 1 2 347.396 3.176 20 5 EGBDLO CC[N@H+](CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000007366848 453066578 /nfs/dbraw/zinc/06/65/78/453066578.db2.gz IZROBFIQBGMVSN-UHFFFAOYSA-N 1 2 342.399 3.022 20 5 EGBDLO CC[N@@H+](CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000007366848 453066593 /nfs/dbraw/zinc/06/65/93/453066593.db2.gz IZROBFIQBGMVSN-UHFFFAOYSA-N 1 2 342.399 3.022 20 5 EGBDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000015294762 453565169 /nfs/dbraw/zinc/56/51/69/453565169.db2.gz RUPDFSSTQUQMLR-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000015294762 453565175 /nfs/dbraw/zinc/56/51/75/453565175.db2.gz RUPDFSSTQUQMLR-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591664 453612830 /nfs/dbraw/zinc/61/28/30/453612830.db2.gz VNGUNYCVFUSARH-LLVKDONJSA-N 1 2 345.321 3.116 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591664 453612835 /nfs/dbraw/zinc/61/28/35/453612835.db2.gz VNGUNYCVFUSARH-LLVKDONJSA-N 1 2 345.321 3.116 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591259 453613242 /nfs/dbraw/zinc/61/32/42/453613242.db2.gz JZBVENIYGGMPJT-GHMZBOCLSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591259 453613246 /nfs/dbraw/zinc/61/32/46/453613246.db2.gz JZBVENIYGGMPJT-GHMZBOCLSA-N 1 2 345.321 3.196 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025409194 453770044 /nfs/dbraw/zinc/77/00/44/453770044.db2.gz KOYRZQGVAJIEBZ-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025409194 453770048 /nfs/dbraw/zinc/77/00/48/453770048.db2.gz KOYRZQGVAJIEBZ-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO CN(Cc1cccs1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032152411 453864705 /nfs/dbraw/zinc/86/47/05/453864705.db2.gz UGELZVUZQPRQKB-UHFFFAOYSA-N 1 2 342.380 3.114 20 5 EGBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000054777371 453946646 /nfs/dbraw/zinc/94/66/46/453946646.db2.gz TWTDBZXKTZXCHI-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO C[C@H](c1ccco1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000069066670 454076411 /nfs/dbraw/zinc/07/64/11/454076411.db2.gz JQYFCPPBJKZDCS-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000069066670 454076416 /nfs/dbraw/zinc/07/64/16/454076416.db2.gz JQYFCPPBJKZDCS-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119333164 454187159 /nfs/dbraw/zinc/18/71/59/454187159.db2.gz NFBUCSPWGIXVOO-UHFFFAOYSA-N 1 2 328.796 3.412 20 5 EGBDLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119333164 454187156 /nfs/dbraw/zinc/18/71/56/454187156.db2.gz NFBUCSPWGIXVOO-UHFFFAOYSA-N 1 2 328.796 3.412 20 5 EGBDLO NC(=O)CC[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119386115 454192369 /nfs/dbraw/zinc/19/23/69/454192369.db2.gz QAQNFGQGFZTPBJ-UHFFFAOYSA-N 1 2 347.802 3.126 20 5 EGBDLO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119386115 454192374 /nfs/dbraw/zinc/19/23/74/454192374.db2.gz QAQNFGQGFZTPBJ-UHFFFAOYSA-N 1 2 347.802 3.126 20 5 EGBDLO Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000045934409 454196963 /nfs/dbraw/zinc/19/69/63/454196963.db2.gz PNVICEZXUFCDLS-UHFFFAOYSA-N 1 2 342.380 3.080 20 5 EGBDLO Cn1c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2[nH+]c1C1CC1 ZINC000089869284 454221167 /nfs/dbraw/zinc/22/11/67/454221167.db2.gz VHVOZWKWVSYUIZ-UHFFFAOYSA-N 1 2 326.312 3.204 20 5 EGBDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000072770371 454337776 /nfs/dbraw/zinc/33/77/76/454337776.db2.gz SKODVZADJQZXDN-NXEZZACHSA-N 1 2 343.836 3.013 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)c1 ZINC000051855680 454638545 /nfs/dbraw/zinc/63/85/45/454638545.db2.gz UEOHJACQKHSTOR-UHFFFAOYSA-N 1 2 338.367 3.058 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162560413 454783848 /nfs/dbraw/zinc/78/38/48/454783848.db2.gz KIMHOXBJPFPKNW-ZDUSSCGKSA-N 1 2 349.431 3.201 20 5 EGBDLO CN(C)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000154323419 454884626 /nfs/dbraw/zinc/88/46/26/454884626.db2.gz UFOUXRUPSAPKKA-UHFFFAOYSA-N 1 2 326.400 3.220 20 5 EGBDLO CN(C)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000154323419 454884628 /nfs/dbraw/zinc/88/46/28/454884628.db2.gz UFOUXRUPSAPKKA-UHFFFAOYSA-N 1 2 326.400 3.220 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)ccc2n1C ZINC000126432756 454893207 /nfs/dbraw/zinc/89/32/07/454893207.db2.gz UENQPHCYSRRHNH-UHFFFAOYSA-N 1 2 338.367 3.280 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000127490279 454969809 /nfs/dbraw/zinc/96/98/09/454969809.db2.gz JAPYHKSHFJZWBB-UHFFFAOYSA-N 1 2 340.314 3.101 20 5 EGBDLO C[C@H](c1ccco1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128209259 455035123 /nfs/dbraw/zinc/03/51/23/455035123.db2.gz NAJBVACSJYDCQU-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128209259 455035125 /nfs/dbraw/zinc/03/51/25/455035125.db2.gz NAJBVACSJYDCQU-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179841103 455087445 /nfs/dbraw/zinc/08/74/45/455087445.db2.gz RMXOHWMQDAXCGT-OAHLLOKOSA-N 1 2 346.387 3.351 20 5 EGBDLO COCC1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000264788747 455282165 /nfs/dbraw/zinc/28/21/65/455282165.db2.gz JZFADTSJBXKPPE-UHFFFAOYSA-N 1 2 342.399 3.223 20 5 EGBDLO CC(C)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265790714 455381822 /nfs/dbraw/zinc/38/18/22/455381822.db2.gz LRKCYQNCCWSIKJ-ZDUSSCGKSA-N 1 2 342.399 3.002 20 5 EGBDLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@]1=O ZINC000277679156 455632794 /nfs/dbraw/zinc/63/27/94/455632794.db2.gz QEBCEMCUZLRHLZ-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@]1=O ZINC000277679156 455632795 /nfs/dbraw/zinc/63/27/95/455632795.db2.gz QEBCEMCUZLRHLZ-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000268298604 455643156 /nfs/dbraw/zinc/64/31/56/455643156.db2.gz XIFULWBZVRXBNX-GUYCJALGSA-N 1 2 337.383 3.427 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)[nH]1 ZINC000268417400 455677918 /nfs/dbraw/zinc/67/79/18/455677918.db2.gz BYPUOWOJQUORJY-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)[nH]1 ZINC000268417400 455677922 /nfs/dbraw/zinc/67/79/22/455677922.db2.gz BYPUOWOJQUORJY-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000268417400 455677927 /nfs/dbraw/zinc/67/79/27/455677927.db2.gz BYPUOWOJQUORJY-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000268417400 455677930 /nfs/dbraw/zinc/67/79/30/455677930.db2.gz BYPUOWOJQUORJY-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n[nH]1 ZINC000268417400 455677935 /nfs/dbraw/zinc/67/79/35/455677935.db2.gz BYPUOWOJQUORJY-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n[nH]1 ZINC000268417400 455677940 /nfs/dbraw/zinc/67/79/40/455677940.db2.gz BYPUOWOJQUORJY-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000284998088 455774903 /nfs/dbraw/zinc/77/49/03/455774903.db2.gz GSEFLIXDBMKLFA-AXFHLTTASA-N 1 2 332.408 3.220 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCCn1c(C)[nH+]c2ccccc21 ZINC000195335569 455946859 /nfs/dbraw/zinc/94/68/59/455946859.db2.gz HXEFTOOBYDIJAG-UHFFFAOYSA-N 1 2 342.403 3.280 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000281872941 456346086 /nfs/dbraw/zinc/34/60/86/456346086.db2.gz RPFSXXDLDJLQDO-LLVKDONJSA-N 1 2 334.401 3.240 20 5 EGBDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000353220943 456570740 /nfs/dbraw/zinc/57/07/40/456570740.db2.gz QHFUDDYKEAGASR-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000353220943 456570745 /nfs/dbraw/zinc/57/07/45/456570745.db2.gz QHFUDDYKEAGASR-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CCCC[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291231467 456572622 /nfs/dbraw/zinc/57/26/22/456572622.db2.gz LNYYZWXQUSTXRO-ZDUSSCGKSA-N 1 2 330.388 3.431 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]ccc1OC ZINC000348272309 456587662 /nfs/dbraw/zinc/58/76/62/456587662.db2.gz JTIDJNPXDIAGJG-UHFFFAOYSA-N 1 2 347.396 3.040 20 5 EGBDLO CC(C)SCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000348319821 456620609 /nfs/dbraw/zinc/62/06/09/456620609.db2.gz ZJTRKRZQRQRCHY-HNNXBMFYSA-N 1 2 334.445 3.149 20 5 EGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000343537880 456692107 /nfs/dbraw/zinc/69/21/07/456692107.db2.gz IICASQZPSZVHQZ-UHFFFAOYSA-N 1 2 348.428 3.338 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c(F)c1 ZINC000291694568 456724246 /nfs/dbraw/zinc/72/42/46/456724246.db2.gz HQMFHGPZHRYGGY-GOSISDBHSA-N 1 2 348.349 3.009 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c(F)c1 ZINC000291694568 456724253 /nfs/dbraw/zinc/72/42/53/456724253.db2.gz HQMFHGPZHRYGGY-GOSISDBHSA-N 1 2 348.349 3.009 20 5 EGBDLO CCN(C[C@H]1CCCO1)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301130616 456803908 /nfs/dbraw/zinc/80/39/08/456803908.db2.gz XVHKOZDJBLETIU-MRXNPFEDSA-N 1 2 342.399 3.366 20 5 EGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000344591263 456840027 /nfs/dbraw/zinc/84/00/27/456840027.db2.gz JWANCSFGHGEXIM-CQSZACIVSA-N 1 2 348.790 3.171 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000339075166 456927984 /nfs/dbraw/zinc/92/79/84/456927984.db2.gz SJAPEEUQPVCBOK-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000339075166 456927990 /nfs/dbraw/zinc/92/79/90/456927990.db2.gz SJAPEEUQPVCBOK-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000362673985 457038154 /nfs/dbraw/zinc/03/81/54/457038154.db2.gz YURQXSBGPJAJAX-LBPRGKRZSA-N 1 2 347.337 3.136 20 5 EGBDLO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000362673985 457038155 /nfs/dbraw/zinc/03/81/55/457038155.db2.gz YURQXSBGPJAJAX-LBPRGKRZSA-N 1 2 347.337 3.136 20 5 EGBDLO CCCn1nc(C)c(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000356533697 457041426 /nfs/dbraw/zinc/04/14/26/457041426.db2.gz UYUAPEOLVJYKAZ-UHFFFAOYSA-N 1 2 344.415 3.213 20 5 EGBDLO CCCn1nc(C)c(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000356533697 457041435 /nfs/dbraw/zinc/04/14/35/457041435.db2.gz UYUAPEOLVJYKAZ-UHFFFAOYSA-N 1 2 344.415 3.213 20 5 EGBDLO C[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000332377016 457358322 /nfs/dbraw/zinc/35/83/22/457358322.db2.gz ACGOUSOQPANPKM-ABAIWWIYSA-N 1 2 347.350 3.045 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccoc1 ZINC000342625983 457412580 /nfs/dbraw/zinc/41/25/80/457412580.db2.gz AGGIIYDLFLBJIE-JTQLQIEISA-N 1 2 337.763 3.300 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccoc1 ZINC000342625983 457412584 /nfs/dbraw/zinc/41/25/84/457412584.db2.gz AGGIIYDLFLBJIE-JTQLQIEISA-N 1 2 337.763 3.300 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOc1ccc(F)cc1)CCO2 ZINC000352681754 457525968 /nfs/dbraw/zinc/52/59/68/457525968.db2.gz ZDEZYIHWAFQOAO-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOc1ccc(F)cc1)CCO2 ZINC000352681754 457525972 /nfs/dbraw/zinc/52/59/72/457525972.db2.gz ZDEZYIHWAFQOAO-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000410562511 457648378 /nfs/dbraw/zinc/64/83/78/457648378.db2.gz YZPIYGMVZHTZEW-UHFFFAOYSA-N 1 2 330.388 3.431 20 5 EGBDLO Cn1c2c(cccc2F)[nH+]c1N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357778096 457686415 /nfs/dbraw/zinc/68/64/15/457686415.db2.gz BHIZMCPLTUUXFQ-UHFFFAOYSA-N 1 2 342.330 3.020 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444696775 457944405 /nfs/dbraw/zinc/94/44/05/457944405.db2.gz PHFNQKFXUXFUAH-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444696775 457944407 /nfs/dbraw/zinc/94/44/07/457944407.db2.gz PHFNQKFXUXFUAH-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375928444 458127506 /nfs/dbraw/zinc/12/75/06/458127506.db2.gz AKJKUGRXCOEMII-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375928444 458127515 /nfs/dbraw/zinc/12/75/15/458127515.db2.gz AKJKUGRXCOEMII-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO CCOc1cccc(N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000369349159 458183271 /nfs/dbraw/zinc/18/32/71/458183271.db2.gz LEUIPFOZAYDPOM-UHFFFAOYSA-N 1 2 330.388 3.163 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000373000048 458371984 /nfs/dbraw/zinc/37/19/84/458371984.db2.gz USYWGYGBFHUMAE-UHFFFAOYSA-N 1 2 334.807 3.413 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456348800 458638814 /nfs/dbraw/zinc/63/88/14/458638814.db2.gz INNISVRWEGLTSA-ZFWWWQNUSA-N 1 2 344.415 3.257 20 5 EGBDLO C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2[nH+]ccn21 ZINC000456355239 458643348 /nfs/dbraw/zinc/64/33/48/458643348.db2.gz APPFKXWYLPNWTG-SKDRFNHKSA-N 1 2 342.380 3.442 20 5 EGBDLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)oc1C ZINC000432822536 458792759 /nfs/dbraw/zinc/79/27/59/458792759.db2.gz MTANGSWXGIFXPP-LLVKDONJSA-N 1 2 344.367 3.402 20 5 EGBDLO COC(=O)c1cc([C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)oc1C ZINC000432822536 458792764 /nfs/dbraw/zinc/79/27/64/458792764.db2.gz MTANGSWXGIFXPP-LLVKDONJSA-N 1 2 344.367 3.402 20 5 EGBDLO CCCC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000477313609 459039712 /nfs/dbraw/zinc/03/97/12/459039712.db2.gz HSVCYSJMWTUEAL-CYBMUJFWSA-N 1 2 328.796 3.112 20 5 EGBDLO O=[N+]([O-])c1cccc2c(NC3CC[NH+](CC(F)F)CC3)ccnc21 ZINC000590079678 459078650 /nfs/dbraw/zinc/07/86/50/459078650.db2.gz GGKILZWECHPXEZ-UHFFFAOYSA-N 1 2 336.342 3.284 20 5 EGBDLO C[N@@H+]1CCO[C@H](CSc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000521230654 459133707 /nfs/dbraw/zinc/13/37/07/459133707.db2.gz LLEGLAKZHZLCHM-VIFPVBQESA-N 1 2 337.228 3.324 20 5 EGBDLO C[N@H+]1CCO[C@H](CSc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000521230654 459133712 /nfs/dbraw/zinc/13/37/12/459133712.db2.gz LLEGLAKZHZLCHM-VIFPVBQESA-N 1 2 337.228 3.324 20 5 EGBDLO COc1cccc(C2([NH2+]Cc3cc(O)ccc3[N+](=O)[O-])CCC2)c1 ZINC000594997880 459210234 /nfs/dbraw/zinc/21/02/34/459210234.db2.gz QFFOGFFIAWOLOX-UHFFFAOYSA-N 1 2 328.368 3.478 20 5 EGBDLO C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568450322 459288397 /nfs/dbraw/zinc/28/83/97/459288397.db2.gz SWMAZXPQAUKPGL-WMLDXEAASA-N 1 2 334.416 3.385 20 5 EGBDLO C[C@H]1CCCC[C@H]1OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568450322 459288400 /nfs/dbraw/zinc/28/84/00/459288400.db2.gz SWMAZXPQAUKPGL-WMLDXEAASA-N 1 2 334.416 3.385 20 5 EGBDLO Cc1noc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000595468577 459313788 /nfs/dbraw/zinc/31/37/88/459313788.db2.gz UCJSPBSOFGQOJI-UHFFFAOYSA-N 1 2 347.346 3.125 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](C2CCC2)C1 ZINC000591125706 459318774 /nfs/dbraw/zinc/31/87/74/459318774.db2.gz LJKYUDXRVYTGKG-OAHLLOKOSA-N 1 2 340.383 3.043 20 5 EGBDLO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000595488434 459321516 /nfs/dbraw/zinc/32/15/16/459321516.db2.gz GJWXUUPHVFODBO-LBPRGKRZSA-N 1 2 325.752 3.022 20 5 EGBDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595545526 459341947 /nfs/dbraw/zinc/34/19/47/459341947.db2.gz IZUUECKAQFLCAI-UHFFFAOYSA-N 1 2 347.371 3.073 20 5 EGBDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595545526 459341952 /nfs/dbraw/zinc/34/19/52/459341952.db2.gz IZUUECKAQFLCAI-UHFFFAOYSA-N 1 2 347.371 3.073 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000582340259 459348856 /nfs/dbraw/zinc/34/88/56/459348856.db2.gz JYLXZEXJMBUAQU-UHFFFAOYSA-N 1 2 332.404 3.256 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000582340259 459348862 /nfs/dbraw/zinc/34/88/62/459348862.db2.gz JYLXZEXJMBUAQU-UHFFFAOYSA-N 1 2 332.404 3.256 20 5 EGBDLO CCO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591844710 459453425 /nfs/dbraw/zinc/45/34/25/459453425.db2.gz BXNVSPMEPVAEEQ-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO CCO[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591844710 459453429 /nfs/dbraw/zinc/45/34/29/459453429.db2.gz BXNVSPMEPVAEEQ-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1ccc([C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000542949800 459612747 /nfs/dbraw/zinc/61/27/47/459612747.db2.gz YCIPMBYTNWEOBH-LBPRGKRZSA-N 1 2 326.400 3.475 20 5 EGBDLO Cn1ncc(C2CC2)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596978997 459809168 /nfs/dbraw/zinc/80/91/68/459809168.db2.gz CUAHNMKQVGHYRM-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO Cn1ncc(C2CC2)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596978997 459809173 /nfs/dbraw/zinc/80/91/73/459809173.db2.gz CUAHNMKQVGHYRM-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000574605832 459839367 /nfs/dbraw/zinc/83/93/67/459839367.db2.gz LXTUIUCFHJOCHM-CQSZACIVSA-N 1 2 326.393 3.070 20 5 EGBDLO COc1cc(C[N@H+]2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000574605832 459839371 /nfs/dbraw/zinc/83/93/71/459839371.db2.gz LXTUIUCFHJOCHM-CQSZACIVSA-N 1 2 326.393 3.070 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000609144007 459911954 /nfs/dbraw/zinc/91/19/54/459911954.db2.gz OIODORIRWURGPE-UHFFFAOYSA-N 1 2 335.404 3.113 20 5 EGBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647449 460042212 /nfs/dbraw/zinc/04/22/12/460042212.db2.gz KACCWVYVGTVDPQ-HNNXBMFYSA-N 1 2 341.371 3.197 20 5 EGBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647449 460042218 /nfs/dbraw/zinc/04/22/18/460042218.db2.gz KACCWVYVGTVDPQ-HNNXBMFYSA-N 1 2 341.371 3.197 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597858964 460082853 /nfs/dbraw/zinc/08/28/53/460082853.db2.gz XQZSKXYAYNUNLI-UHFFFAOYSA-N 1 2 348.428 3.482 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597858964 460082856 /nfs/dbraw/zinc/08/28/56/460082856.db2.gz XQZSKXYAYNUNLI-UHFFFAOYSA-N 1 2 348.428 3.482 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCc4nc(C5CC5)ncc4C3)c2c1 ZINC000599161427 460181705 /nfs/dbraw/zinc/18/17/05/460181705.db2.gz ZQTBJASWSUZBMQ-UHFFFAOYSA-N 1 2 347.378 3.373 20 5 EGBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676660 460306853 /nfs/dbraw/zinc/30/68/53/460306853.db2.gz GCWAOCZPFRXERE-INIZCTEOSA-N 1 2 344.342 3.006 20 5 EGBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676660 460306857 /nfs/dbraw/zinc/30/68/57/460306857.db2.gz GCWAOCZPFRXERE-INIZCTEOSA-N 1 2 344.342 3.006 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)c(F)c1 ZINC000601240100 460762685 /nfs/dbraw/zinc/76/26/85/460762685.db2.gz GNHMLDABYAGFGV-UHFFFAOYSA-N 1 2 348.403 3.294 20 5 EGBDLO CNc1[nH+]c(C)ccc1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000735529769 575674818 /nfs/dbraw/zinc/67/48/18/575674818.db2.gz LQHYWDVNHSKKLR-UHFFFAOYSA-N 1 2 335.747 3.350 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000736740154 576016774 /nfs/dbraw/zinc/01/67/74/576016774.db2.gz KIDCIDMBHMHUFP-UHFFFAOYSA-N 1 2 330.340 3.281 20 5 EGBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083955169 1292692654 /nfs/dbraw/zinc/69/26/54/1292692654.db2.gz XUSNWCUCBFSNIQ-UHFFFAOYSA-N 1 2 341.776 3.061 20 5 EGBDLO O=C(O[C@@H]1CCCC[C@H]1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835445303 1293293086 /nfs/dbraw/zinc/29/30/86/1293293086.db2.gz CMUICDAXRLUNJU-IUODEOHRSA-N 1 2 333.319 3.218 20 5 EGBDLO CS[C@@H](C)CCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835668006 1293344123 /nfs/dbraw/zinc/34/41/23/1293344123.db2.gz GEKFYESHUZNYMZ-NSHDSACASA-N 1 2 335.385 3.079 20 5 EGBDLO Cc1cc(F)cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000124295882 1293472566 /nfs/dbraw/zinc/47/25/66/1293472566.db2.gz WNPUFBNAKLCIGT-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172928435 1294449726 /nfs/dbraw/zinc/44/97/26/1294449726.db2.gz ATPVSGUDYRWMAG-AWEZNQCLSA-N 1 2 349.394 3.258 20 5 EGBDLO C[C@H]1Cc2ccccc2C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172928435 1294449731 /nfs/dbraw/zinc/44/97/31/1294449731.db2.gz ATPVSGUDYRWMAG-AWEZNQCLSA-N 1 2 349.394 3.258 20 5 EGBDLO O=[N+]([O-])c1c(Br)cccc1NCCCn1cc[nH+]c1 ZINC000311888610 1297113444 /nfs/dbraw/zinc/11/34/44/1297113444.db2.gz OMKCCZNDNCLKNX-UHFFFAOYSA-N 1 2 325.166 3.056 20 5 EGBDLO CCC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000707217153 1298228045 /nfs/dbraw/zinc/22/80/45/1298228045.db2.gz OUAUWBZGHMOLKT-UHFFFAOYSA-N 1 2 343.221 3.094 20 5 EGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)C(C)(C)C1(C)C ZINC000749164778 1299158006 /nfs/dbraw/zinc/15/80/06/1299158006.db2.gz AQIFBUPADUAJDK-UHFFFAOYSA-N 1 2 333.432 3.410 20 5 EGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)C(C)(C)C1(C)C ZINC000749164778 1299158010 /nfs/dbraw/zinc/15/80/10/1299158010.db2.gz AQIFBUPADUAJDK-UHFFFAOYSA-N 1 2 333.432 3.410 20 5 EGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1csc([N+](=O)[O-])c1 ZINC000754496175 1300153242 /nfs/dbraw/zinc/15/32/42/1300153242.db2.gz XAYHHVWDAOBTIJ-UHFFFAOYSA-N 1 2 329.337 3.199 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767588472 1302717669 /nfs/dbraw/zinc/71/76/69/1302717669.db2.gz TUEKGDDDXAVPLG-UHFFFAOYSA-N 1 2 343.383 3.338 20 5 EGBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])cc1F ZINC000886279280 1303419117 /nfs/dbraw/zinc/41/91/17/1303419117.db2.gz UYWUMJSLFPXZCI-OAHLLOKOSA-N 1 2 331.347 3.475 20 5 EGBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])cc1F ZINC000886279280 1303419120 /nfs/dbraw/zinc/41/91/20/1303419120.db2.gz UYWUMJSLFPXZCI-OAHLLOKOSA-N 1 2 331.347 3.475 20 5 EGBDLO CC(C)OC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000886724168 1303579995 /nfs/dbraw/zinc/57/99/95/1303579995.db2.gz YYSIEENCHCCDDF-UHFFFAOYSA-N 1 2 340.807 3.412 20 5 EGBDLO CSc1cccc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000777079220 1304246351 /nfs/dbraw/zinc/24/63/51/1304246351.db2.gz LYZGRPHAYANZMM-UHFFFAOYSA-N 1 2 347.396 3.135 20 5 EGBDLO C[N@H+](Cc1cccc(Br)n1)Cc1ccccc1[N+](=O)[O-] ZINC000779433722 1304571722 /nfs/dbraw/zinc/57/17/22/1304571722.db2.gz CHBBJPOUTZNQEN-UHFFFAOYSA-N 1 2 336.189 3.384 20 5 EGBDLO C[N@@H+](Cc1cccc(Br)n1)Cc1ccccc1[N+](=O)[O-] ZINC000779433722 1304571726 /nfs/dbraw/zinc/57/17/26/1304571726.db2.gz CHBBJPOUTZNQEN-UHFFFAOYSA-N 1 2 336.189 3.384 20 5 EGBDLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000784012594 1305175172 /nfs/dbraw/zinc/17/51/72/1305175172.db2.gz SNBJVAIMOQITLH-WBMJQRKESA-N 1 2 330.388 3.149 20 5 EGBDLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000784012594 1305175176 /nfs/dbraw/zinc/17/51/76/1305175176.db2.gz SNBJVAIMOQITLH-WBMJQRKESA-N 1 2 330.388 3.149 20 5 EGBDLO O=C(OC/C(Cl)=C/Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785678105 1305405004 /nfs/dbraw/zinc/40/50/04/1305405004.db2.gz QKIZKMFNSORTGL-POHAHGRESA-N 1 2 342.138 3.256 20 5 EGBDLO CC(C)(C)OCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785680319 1305406524 /nfs/dbraw/zinc/40/65/24/1305406524.db2.gz YXQXERZQZIQVIO-UHFFFAOYSA-N 1 2 347.371 3.143 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnc2ccccn21 ZINC000787408093 1305742283 /nfs/dbraw/zinc/74/22/83/1305742283.db2.gz YJMRWOXHHYSFJB-GXDHUFHOSA-N 1 2 337.383 3.173 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnc2ccccn21 ZINC000787408093 1305742292 /nfs/dbraw/zinc/74/22/92/1305742292.db2.gz YJMRWOXHHYSFJB-GXDHUFHOSA-N 1 2 337.383 3.173 20 5 EGBDLO Cc1cccnc1OC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000788003361 1305842800 /nfs/dbraw/zinc/84/28/00/1305842800.db2.gz BGIAUZOACBIURG-UHFFFAOYSA-N 1 2 345.374 3.481 20 5 EGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000792867846 1309247371 /nfs/dbraw/zinc/24/73/71/1309247371.db2.gz OFONNMZFVINSBB-UHFFFAOYSA-N 1 2 347.277 3.137 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000794621258 1309556013 /nfs/dbraw/zinc/55/60/13/1309556013.db2.gz WLHMMOHYBBBCSO-GFCCVEGCSA-N 1 2 345.380 3.359 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000794621258 1309556025 /nfs/dbraw/zinc/55/60/25/1309556025.db2.gz WLHMMOHYBBBCSO-GFCCVEGCSA-N 1 2 345.380 3.359 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CCO)c2cccs2)c(F)c1 ZINC000795988275 1309877164 /nfs/dbraw/zinc/87/71/64/1309877164.db2.gz GYYSZYJCSUDJCD-ZDUSSCGKSA-N 1 2 328.340 3.148 20 5 EGBDLO CC[C@H](C)[N@H+](CC[N+](=O)[O-])CC(=O)Nc1ccccc1C(F)(F)F ZINC000929244096 1328547708 /nfs/dbraw/zinc/54/77/08/1328547708.db2.gz GQXGHKAEQAYICL-NSHDSACASA-N 1 2 347.337 3.021 20 5 EGBDLO CC[C@H](C)[N@@H+](CC[N+](=O)[O-])CC(=O)Nc1ccccc1C(F)(F)F ZINC000929244096 1328547711 /nfs/dbraw/zinc/54/77/11/1328547711.db2.gz GQXGHKAEQAYICL-NSHDSACASA-N 1 2 347.337 3.021 20 5 EGBDLO CCOc1cc(CO[NH+]=C(N)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000809995994 1317933363 /nfs/dbraw/zinc/93/33/63/1317933363.db2.gz OLUJIDJNIVMXRH-UHFFFAOYSA-N 1 2 335.385 3.296 20 5 EGBDLO Cc1cc(NCCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1[NH+](C)C ZINC000819408024 1319720791 /nfs/dbraw/zinc/72/07/91/1319720791.db2.gz HSNZGTCZJXZALS-UHFFFAOYSA-N 1 2 342.399 3.410 20 5 EGBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867627356 1330211721 /nfs/dbraw/zinc/21/17/21/1330211721.db2.gz GVINTRIRSNGHSO-UHFFFAOYSA-N 1 2 341.414 3.047 20 5 EGBDLO CCN(CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)CC(F)(F)F ZINC001116636622 1370949809 /nfs/dbraw/zinc/94/98/09/1370949809.db2.gz QYHYPKZFGKDUEA-UHFFFAOYSA-N 1 2 331.338 3.185 20 5 EGBDLO CCN(CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)CC(F)(F)F ZINC001116636622 1370949812 /nfs/dbraw/zinc/94/98/12/1370949812.db2.gz QYHYPKZFGKDUEA-UHFFFAOYSA-N 1 2 331.338 3.185 20 5 EGBDLO CCOC(=O)c1cc(Nc2ccc3c(c2)[nH+]cn3C)cc([N+](=O)[O-])c1 ZINC001211374472 1372542877 /nfs/dbraw/zinc/54/28/77/1372542877.db2.gz RTSDJZVDNOGCIP-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO O=c1c2ccccc2oc2cc(O[C@H]3CC[NH2+]CC3(F)F)ccc12 ZINC001218006768 1373534320 /nfs/dbraw/zinc/53/43/20/1373534320.db2.gz NBBUDHFGEANLCA-INIZCTEOSA-N 1 2 331.318 3.322 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228916641 1375713825 /nfs/dbraw/zinc/71/38/25/1375713825.db2.gz WFBWDILLHHYHKB-SFHVURJKSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228916641 1375713835 /nfs/dbraw/zinc/71/38/35/1375713835.db2.gz WFBWDILLHHYHKB-SFHVURJKSA-N 1 2 342.395 3.183 20 5 EGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(=O)OCc1ccccc1 ZINC001173236014 1384941935 /nfs/dbraw/zinc/94/19/35/1384941935.db2.gz DLDIMQHXTVXJFE-HNNXBMFYSA-N 1 2 342.395 3.201 20 5 EGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001173236014 1384941936 /nfs/dbraw/zinc/94/19/36/1384941936.db2.gz DLDIMQHXTVXJFE-HNNXBMFYSA-N 1 2 342.395 3.201 20 5 EGBDLO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000026371062 201061473 /nfs/dbraw/zinc/06/14/73/201061473.db2.gz BJZAKCIFQOSVNU-LLVKDONJSA-N 1 2 342.380 3.362 20 5 EGBDLO Cc1cccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000072088542 201173435 /nfs/dbraw/zinc/17/34/35/201173435.db2.gz MWDUAJYRVUNZOS-UHFFFAOYSA-N 1 2 336.351 3.366 20 5 EGBDLO CC1CCN(c2ccc(CNc3cc(N)ccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000193387636 240142427 /nfs/dbraw/zinc/14/24/27/240142427.db2.gz KGKZBJCBEXPZIS-UHFFFAOYSA-N 1 2 341.415 3.420 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000193604137 240229235 /nfs/dbraw/zinc/22/92/35/240229235.db2.gz ZIRVDTHIHGLWOA-UHFFFAOYSA-N 1 2 331.328 3.144 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000193604137 240229244 /nfs/dbraw/zinc/22/92/44/240229244.db2.gz ZIRVDTHIHGLWOA-UHFFFAOYSA-N 1 2 331.328 3.144 20 5 EGBDLO Cc1cc(N[C@H]2CCC[C@@]2(C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000076060999 203334368 /nfs/dbraw/zinc/33/43/68/203334368.db2.gz NBYDIQPQZFJEOH-YJBOKZPZSA-N 1 2 342.399 3.323 20 5 EGBDLO CCc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125342368 205006376 /nfs/dbraw/zinc/00/63/76/205006376.db2.gz JKGZSJNKZOTORB-GUYCJALGSA-N 1 2 342.399 3.077 20 5 EGBDLO CC(C)n1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174243120 207002570 /nfs/dbraw/zinc/00/25/70/207002570.db2.gz KCDYCLGIMIDAHP-UHFFFAOYSA-N 1 2 344.415 3.416 20 5 EGBDLO CCC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000176741741 207256305 /nfs/dbraw/zinc/25/63/05/207256305.db2.gz GPTVVEJIAIJGCM-AWEZNQCLSA-N 1 2 342.399 3.433 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128041949 285088772 /nfs/dbraw/zinc/08/87/72/285088772.db2.gz JJRLYDXIEUBJLE-UHFFFAOYSA-N 1 2 338.713 3.137 20 5 EGBDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000353334554 141289242 /nfs/dbraw/zinc/28/92/42/141289242.db2.gz RVAVAVUKIAPIJI-OAHLLOKOSA-N 1 2 345.424 3.034 20 5 EGBDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000353334554 141289244 /nfs/dbraw/zinc/28/92/44/141289244.db2.gz RVAVAVUKIAPIJI-OAHLLOKOSA-N 1 2 345.424 3.034 20 5 EGBDLO C[C@H]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000351476403 144266418 /nfs/dbraw/zinc/26/64/18/144266418.db2.gz LDPCBRGQDAIAAZ-UONOGXRCSA-N 1 2 342.399 3.337 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361572057 144329642 /nfs/dbraw/zinc/32/96/42/144329642.db2.gz BZUZLSLVPLZTJF-UHFFFAOYSA-N 1 2 340.379 3.356 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361572057 144329644 /nfs/dbraw/zinc/32/96/44/144329644.db2.gz BZUZLSLVPLZTJF-UHFFFAOYSA-N 1 2 340.379 3.356 20 5 EGBDLO COc1cc[nH+]cc1COc1ccc([N+](=O)[O-])cc1Br ZINC000341280911 155227539 /nfs/dbraw/zinc/22/75/39/155227539.db2.gz OOHYKAUMQBICMG-UHFFFAOYSA-N 1 2 339.145 3.340 20 5 EGBDLO O=[N+]([O-])c1cc2c(ncnc2NCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000341341364 155242018 /nfs/dbraw/zinc/24/20/18/155242018.db2.gz JULIRSJGLMHMFI-UHFFFAOYSA-N 1 2 340.368 3.130 20 5 EGBDLO COc1cc(C[N@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184272415 286218111 /nfs/dbraw/zinc/21/81/11/286218111.db2.gz FYVUFVKPWFEKQC-UHFFFAOYSA-N 1 2 331.347 3.302 20 5 EGBDLO COc1cc(C[N@@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184272415 286218113 /nfs/dbraw/zinc/21/81/13/286218113.db2.gz FYVUFVKPWFEKQC-UHFFFAOYSA-N 1 2 331.347 3.302 20 5 EGBDLO Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000116760999 152075493 /nfs/dbraw/zinc/07/54/93/152075493.db2.gz DJGXKFPIUVHSOS-UHFFFAOYSA-N 1 2 335.747 3.359 20 5 EGBDLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000117619133 152108012 /nfs/dbraw/zinc/10/80/12/152108012.db2.gz MKIOLHZMGZNEFF-CYBMUJFWSA-N 1 2 336.351 3.272 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000120548187 152284200 /nfs/dbraw/zinc/28/42/00/152284200.db2.gz BQRGZIIFIBSYCE-GFCCVEGCSA-N 1 2 340.383 3.341 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000312045419 154150936 /nfs/dbraw/zinc/15/09/36/154150936.db2.gz USQXCKDHCAVLBJ-OAHLLOKOSA-N 1 2 345.374 3.047 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000312045419 154150938 /nfs/dbraw/zinc/15/09/38/154150938.db2.gz USQXCKDHCAVLBJ-OAHLLOKOSA-N 1 2 345.374 3.047 20 5 EGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000337432138 154349591 /nfs/dbraw/zinc/34/95/91/154349591.db2.gz GJLCBFFODKDHBD-OAHLLOKOSA-N 1 2 341.411 3.246 20 5 EGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000337432138 154349596 /nfs/dbraw/zinc/34/95/96/154349596.db2.gz GJLCBFFODKDHBD-OAHLLOKOSA-N 1 2 341.411 3.246 20 5 EGBDLO COc1ccccc1C[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342057746 286497462 /nfs/dbraw/zinc/49/74/62/286497462.db2.gz FPSBGEBJJLTFER-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346993276 156235541 /nfs/dbraw/zinc/23/55/41/156235541.db2.gz ZADKAJIHCTZZPC-HNNXBMFYSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346993276 156235542 /nfs/dbraw/zinc/23/55/42/156235542.db2.gz ZADKAJIHCTZZPC-HNNXBMFYSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109783362 162112196 /nfs/dbraw/zinc/11/21/96/162112196.db2.gz QPFHSKIAPKQDGC-CYBMUJFWSA-N 1 2 343.383 3.240 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109783362 162112201 /nfs/dbraw/zinc/11/22/01/162112201.db2.gz QPFHSKIAPKQDGC-CYBMUJFWSA-N 1 2 343.383 3.240 20 5 EGBDLO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000112532183 162181266 /nfs/dbraw/zinc/18/12/66/162181266.db2.gz IOHKIRJABVPEGX-VXGBXAGGSA-N 1 2 338.367 3.243 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000361848446 167674545 /nfs/dbraw/zinc/67/45/45/167674545.db2.gz AUKYVIAKUTWKIY-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000361848446 167674548 /nfs/dbraw/zinc/67/45/48/167674548.db2.gz AUKYVIAKUTWKIY-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cc[nH+]c(N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000165970919 274816966 /nfs/dbraw/zinc/81/69/66/274816966.db2.gz IXOCVMRJENEWOL-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000010163065 275119378 /nfs/dbraw/zinc/11/93/78/275119378.db2.gz VWIVYQCJUXSBCL-UHFFFAOYSA-N 1 2 326.356 3.151 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCc3occc3C2)cccc1[N+](=O)[O-] ZINC000288913785 276266774 /nfs/dbraw/zinc/26/67/74/276266774.db2.gz UKMFHFLDSPTQNW-CYBMUJFWSA-N 1 2 343.383 3.272 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCc3occc3C2)cccc1[N+](=O)[O-] ZINC000288913785 276266776 /nfs/dbraw/zinc/26/67/76/276266776.db2.gz UKMFHFLDSPTQNW-CYBMUJFWSA-N 1 2 343.383 3.272 20 5 EGBDLO C[C@@H](O)c1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000289140267 276296044 /nfs/dbraw/zinc/29/60/44/276296044.db2.gz PJUOTNCXHROUMB-LLVKDONJSA-N 1 2 333.413 3.269 20 5 EGBDLO C[C@@H](O)c1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000289140267 276296045 /nfs/dbraw/zinc/29/60/45/276296045.db2.gz PJUOTNCXHROUMB-LLVKDONJSA-N 1 2 333.413 3.269 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C1CCC1 ZINC000102877150 280178238 /nfs/dbraw/zinc/17/82/38/280178238.db2.gz GMPYPJCNEIRODI-OAHLLOKOSA-N 1 2 340.383 3.185 20 5 EGBDLO CCCc1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072665090 307381438 /nfs/dbraw/zinc/38/14/38/307381438.db2.gz ARMLHKHHFMZSBI-LBPRGKRZSA-N 1 2 347.444 3.085 20 5 EGBDLO CCCc1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072665090 307381439 /nfs/dbraw/zinc/38/14/39/307381439.db2.gz ARMLHKHHFMZSBI-LBPRGKRZSA-N 1 2 347.444 3.085 20 5 EGBDLO CCCc1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072665091 307381467 /nfs/dbraw/zinc/38/14/67/307381467.db2.gz ARMLHKHHFMZSBI-GFCCVEGCSA-N 1 2 347.444 3.085 20 5 EGBDLO CCCc1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000072665091 307381468 /nfs/dbraw/zinc/38/14/68/307381468.db2.gz ARMLHKHHFMZSBI-GFCCVEGCSA-N 1 2 347.444 3.085 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc2n1C ZINC000133747811 307677047 /nfs/dbraw/zinc/67/70/47/307677047.db2.gz QBHIICDSKKMZQP-UHFFFAOYSA-N 1 2 328.303 3.181 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nncn1-c1ccccc1 ZINC000152664610 307757386 /nfs/dbraw/zinc/75/73/86/307757386.db2.gz SMUSADYXPGQGSY-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO C[C@@H](N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000255556834 308053796 /nfs/dbraw/zinc/05/37/96/308053796.db2.gz BAJSYXGFNXJTNU-RYWCDNDXSA-N 1 2 343.349 3.176 20 5 EGBDLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ncc1[N+](=O)[O-] ZINC000301434627 308700260 /nfs/dbraw/zinc/70/02/60/308700260.db2.gz LQVTXGNLTCAOMX-UHFFFAOYSA-N 1 2 327.319 3.235 20 5 EGBDLO O=C(CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)N1CCCCCC1 ZINC000413105148 309016340 /nfs/dbraw/zinc/01/63/40/309016340.db2.gz NAMZELVPHBPYKQ-UHFFFAOYSA-N 1 2 342.399 3.348 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]([C@H](CO)C3CC3)C3CC3)c2c1 ZINC000413310838 309026081 /nfs/dbraw/zinc/02/60/81/309026081.db2.gz DFFMPRPGDAMOLT-IAGOWNOFSA-N 1 2 327.384 3.352 20 5 EGBDLO Cc1cc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000421552236 309329461 /nfs/dbraw/zinc/32/94/61/309329461.db2.gz BEYCORJOGZJWPA-UHFFFAOYSA-N 1 2 331.397 3.015 20 5 EGBDLO Cc1cc(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000421579983 309330621 /nfs/dbraw/zinc/33/06/21/309330621.db2.gz VHBLEKPWILLMQQ-UHFFFAOYSA-N 1 2 327.384 3.462 20 5 EGBDLO Cc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000421830493 309342181 /nfs/dbraw/zinc/34/21/81/309342181.db2.gz KBOOBPDDPCKJGF-UHFFFAOYSA-N 1 2 342.395 3.314 20 5 EGBDLO CC(C)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448653342 310010935 /nfs/dbraw/zinc/01/09/35/310010935.db2.gz CVIAZXVCTGNIEJ-UHFFFAOYSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448818880 310019435 /nfs/dbraw/zinc/01/94/35/310019435.db2.gz QFVKXNBAMNFZRZ-CYBMUJFWSA-N 1 2 328.372 3.043 20 5 EGBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000448917719 310023844 /nfs/dbraw/zinc/02/38/44/310023844.db2.gz LXRJGGZRCJWWAS-OAHLLOKOSA-N 1 2 330.388 3.335 20 5 EGBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cc(CSCCO)cc[nH+]1 ZINC000449209628 310044754 /nfs/dbraw/zinc/04/47/54/310044754.db2.gz VIFMCYKTOIGNEV-ZDUSSCGKSA-N 1 2 347.440 3.258 20 5 EGBDLO C[C@H](c1csnn1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450461516 310124098 /nfs/dbraw/zinc/12/40/98/310124098.db2.gz WCMPQLNHEYYNIS-LLVKDONJSA-N 1 2 334.401 3.051 20 5 EGBDLO CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450739030 310140238 /nfs/dbraw/zinc/14/02/38/310140238.db2.gz PVLYLZFCTLXYJF-GXTWGEPZSA-N 1 2 328.372 3.041 20 5 EGBDLO Nc1[nH+]cnc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1Cl ZINC000450763764 310141471 /nfs/dbraw/zinc/14/14/71/310141471.db2.gz QLMHAHYXFADYDW-NSHDSACASA-N 1 2 333.779 3.004 20 5 EGBDLO Nc1nc[nH+]c(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1Cl ZINC000450763764 310141472 /nfs/dbraw/zinc/14/14/72/310141472.db2.gz QLMHAHYXFADYDW-NSHDSACASA-N 1 2 333.779 3.004 20 5 EGBDLO CC1(C)CCCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450995790 310154079 /nfs/dbraw/zinc/15/40/79/310154079.db2.gz FZDRUECQAZLDRZ-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO CC(C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000451407100 310176315 /nfs/dbraw/zinc/17/63/15/310176315.db2.gz VJOGNLDIMXMQQR-UHFFFAOYSA-N 1 2 349.822 3.201 20 5 EGBDLO CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548044 310184933 /nfs/dbraw/zinc/18/49/33/310184933.db2.gz MCJYEPLOHUCYAA-OCCSQVGLSA-N 1 2 346.387 3.065 20 5 EGBDLO CO[C@H](C)c1noc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548044 310184934 /nfs/dbraw/zinc/18/49/34/310184934.db2.gz MCJYEPLOHUCYAA-OCCSQVGLSA-N 1 2 346.387 3.065 20 5 EGBDLO CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548043 310185007 /nfs/dbraw/zinc/18/50/07/310185007.db2.gz MCJYEPLOHUCYAA-JSGCOSHPSA-N 1 2 346.387 3.065 20 5 EGBDLO CO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548043 310185008 /nfs/dbraw/zinc/18/50/08/310185008.db2.gz MCJYEPLOHUCYAA-JSGCOSHPSA-N 1 2 346.387 3.065 20 5 EGBDLO CO[C@H]1C[C@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451867739 310200995 /nfs/dbraw/zinc/20/09/95/310200995.db2.gz OMAKALFZJCHCCT-GJZGRUSLSA-N 1 2 326.343 3.262 20 5 EGBDLO CO[C@H]1C[C@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451867739 310200996 /nfs/dbraw/zinc/20/09/96/310200996.db2.gz OMAKALFZJCHCCT-GJZGRUSLSA-N 1 2 326.343 3.262 20 5 EGBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454624863 310320825 /nfs/dbraw/zinc/32/08/25/310320825.db2.gz WAWKYUNOBHYVNS-SGMGOOAPSA-N 1 2 343.387 3.166 20 5 EGBDLO CSc1cccc(C(=O)NCc2c[nH+]c(C)cc2C)c1[N+](=O)[O-] ZINC000456852954 310425784 /nfs/dbraw/zinc/42/57/84/310425784.db2.gz XUZYBHSSESFBCE-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO Cc1cc(NCC2(C(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000480514921 310895830 /nfs/dbraw/zinc/89/58/30/310895830.db2.gz VYLOYOLQLVUPER-UHFFFAOYSA-N 1 2 334.326 3.239 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000510522470 312142452 /nfs/dbraw/zinc/14/24/52/312142452.db2.gz IENRCWTWFGWSKC-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000513127966 312202372 /nfs/dbraw/zinc/20/23/72/312202372.db2.gz NDSAALDBXCGYMZ-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000513127966 312202373 /nfs/dbraw/zinc/20/23/73/312202373.db2.gz NDSAALDBXCGYMZ-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000531842342 313720543 /nfs/dbraw/zinc/72/05/43/313720543.db2.gz OCAXMRAOLRFZRW-HNNXBMFYSA-N 1 2 346.387 3.408 20 5 EGBDLO COC(C)(C)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000532073503 313751180 /nfs/dbraw/zinc/75/11/80/313751180.db2.gz BZRFMRCQIWAWFQ-UHFFFAOYSA-N 1 2 330.388 3.221 20 5 EGBDLO Cc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000535774079 314072553 /nfs/dbraw/zinc/07/25/53/314072553.db2.gz ICOZTPLHSNUHSV-UHFFFAOYSA-N 1 2 328.372 3.085 20 5 EGBDLO Cc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)c[nH+]1 ZINC000536618636 314131499 /nfs/dbraw/zinc/13/14/99/314131499.db2.gz PPFVJCWWZQZNJE-UHFFFAOYSA-N 1 2 340.383 3.225 20 5 EGBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000536683304 314138456 /nfs/dbraw/zinc/13/84/56/314138456.db2.gz VLBIYASHRNWNCH-XSZJWBAASA-N 1 2 340.379 3.454 20 5 EGBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000536683304 314138459 /nfs/dbraw/zinc/13/84/59/314138459.db2.gz VLBIYASHRNWNCH-XSZJWBAASA-N 1 2 340.379 3.454 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000540326842 314374738 /nfs/dbraw/zinc/37/47/38/314374738.db2.gz ZGOOWZSIUXPUAL-LLVKDONJSA-N 1 2 349.337 3.471 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccccc1 ZINC000565870688 316380602 /nfs/dbraw/zinc/38/06/02/316380602.db2.gz JZCBLXGCKWQQGL-QGZVFWFLSA-N 1 2 349.394 3.498 20 5 EGBDLO CCn1ccnc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581464183 325363187 /nfs/dbraw/zinc/36/31/87/325363187.db2.gz SQCXNGXZNTVTDU-UHFFFAOYSA-N 1 2 328.294 3.120 20 5 EGBDLO COc1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])cc1O ZINC000189587797 455220491 /nfs/dbraw/zinc/22/04/91/455220491.db2.gz MBXMSFKQGWBSAN-ZDUSSCGKSA-N 1 2 348.330 3.062 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000007843411 453123089 /nfs/dbraw/zinc/12/30/89/453123089.db2.gz BPMJEYSROLACPY-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000007843411 453123100 /nfs/dbraw/zinc/12/31/00/453123100.db2.gz BPMJEYSROLACPY-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000015294806 453565017 /nfs/dbraw/zinc/56/50/17/453565017.db2.gz QWMGPHXTFYVWMD-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000015294806 453565019 /nfs/dbraw/zinc/56/50/19/453565019.db2.gz QWMGPHXTFYVWMD-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCc4ccccc4C3)o2)cc1 ZINC000016442957 453607596 /nfs/dbraw/zinc/60/75/96/453607596.db2.gz WWWGGTWMXAUCOK-UHFFFAOYSA-N 1 2 336.351 3.203 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCc4ccccc4C3)o2)cc1 ZINC000016442957 453607602 /nfs/dbraw/zinc/60/76/02/453607602.db2.gz WWWGGTWMXAUCOK-UHFFFAOYSA-N 1 2 336.351 3.203 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066845731 453878912 /nfs/dbraw/zinc/87/89/12/453878912.db2.gz NZODAJYTRVOKRA-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066845731 453878915 /nfs/dbraw/zinc/87/89/15/453878915.db2.gz NZODAJYTRVOKRA-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO Cc1ccn2cc(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH+]c2c1 ZINC000056530205 454065761 /nfs/dbraw/zinc/06/57/61/454065761.db2.gz NHADJPJOKLZXRF-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(c4ccccc4)CC3)n2)cc1 ZINC000077379074 454099489 /nfs/dbraw/zinc/09/94/89/454099489.db2.gz FHVHJTGUIZXMJI-UHFFFAOYSA-N 1 2 336.351 3.424 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438217 454101397 /nfs/dbraw/zinc/10/13/97/454101397.db2.gz SUECBKNWUIOXHN-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438217 454101400 /nfs/dbraw/zinc/10/14/00/454101400.db2.gz SUECBKNWUIOXHN-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO CC(C)N(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000088605717 454114946 /nfs/dbraw/zinc/11/49/46/454114946.db2.gz YCLAYCXDMVHHAR-UHFFFAOYSA-N 1 2 345.443 3.133 20 5 EGBDLO CC(C)N(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000088605717 454114949 /nfs/dbraw/zinc/11/49/49/454114949.db2.gz YCLAYCXDMVHHAR-UHFFFAOYSA-N 1 2 345.443 3.133 20 5 EGBDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605606 454115187 /nfs/dbraw/zinc/11/51/87/454115187.db2.gz BJEUBJJCKFALKS-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605606 454115190 /nfs/dbraw/zinc/11/51/90/454115190.db2.gz BJEUBJJCKFALKS-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000045313062 454151966 /nfs/dbraw/zinc/15/19/66/454151966.db2.gz JZBVENIYGGMPJT-MNOVXSKESA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000045313062 454151968 /nfs/dbraw/zinc/15/19/68/454151968.db2.gz JZBVENIYGGMPJT-MNOVXSKESA-N 1 2 345.321 3.196 20 5 EGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000045486969 454162950 /nfs/dbraw/zinc/16/29/50/454162950.db2.gz MVENQFKWYDKMCP-UHFFFAOYSA-N 1 2 328.372 3.185 20 5 EGBDLO Cc1cc(N[C@@H](C)c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078307251 454228517 /nfs/dbraw/zinc/22/85/17/454228517.db2.gz YEBKELUEOXEKPO-LBPRGKRZSA-N 1 2 338.371 3.267 20 5 EGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000078518982 454268031 /nfs/dbraw/zinc/26/80/31/454268031.db2.gz DPSSFKFHFVOWQD-UHFFFAOYSA-N 1 2 344.367 3.022 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000078518982 454268036 /nfs/dbraw/zinc/26/80/36/454268036.db2.gz DPSSFKFHFVOWQD-UHFFFAOYSA-N 1 2 344.367 3.022 20 5 EGBDLO O=[N+]([O-])c1ccc(SCC[NH+]2CCOCC2)nc1-c1ccccc1 ZINC000090069538 454272280 /nfs/dbraw/zinc/27/22/80/454272280.db2.gz MWMNHNVNSXDGBI-UHFFFAOYSA-N 1 2 345.424 3.081 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)o2)cc1 ZINC000072578324 454312623 /nfs/dbraw/zinc/31/26/23/454312623.db2.gz OQOPGMAGPGFMJD-OAHLLOKOSA-N 1 2 339.355 3.310 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)o2)cc1 ZINC000072578324 454312626 /nfs/dbraw/zinc/31/26/26/454312626.db2.gz OQOPGMAGPGFMJD-OAHLLOKOSA-N 1 2 339.355 3.310 20 5 EGBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000072862093 454352769 /nfs/dbraw/zinc/35/27/69/454352769.db2.gz JQCUHQNNNJGCBF-LLVKDONJSA-N 1 2 343.836 3.014 20 5 EGBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000072862093 454352773 /nfs/dbraw/zinc/35/27/73/454352773.db2.gz JQCUHQNNNJGCBF-LLVKDONJSA-N 1 2 343.836 3.014 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000121355039 454425251 /nfs/dbraw/zinc/42/52/51/454425251.db2.gz DZTIJKUDMCFWRF-UHFFFAOYSA-N 1 2 326.356 3.495 20 5 EGBDLO CCN(CC)c1ccc(CNc2nc3sccn3c2[N+](=O)[O-])c[nH+]1 ZINC000079927455 454499541 /nfs/dbraw/zinc/49/95/41/454499541.db2.gz UPGSTTFUNUUBDH-UHFFFAOYSA-N 1 2 346.416 3.157 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000092436145 454565797 /nfs/dbraw/zinc/56/57/97/454565797.db2.gz FVGOVBZXLCPZKF-INIZCTEOSA-N 1 2 332.356 3.075 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000092436145 454565801 /nfs/dbraw/zinc/56/58/01/454565801.db2.gz FVGOVBZXLCPZKF-INIZCTEOSA-N 1 2 332.356 3.075 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCOC[C@H]3C3CC3)cs2)c1 ZINC000093645220 454727657 /nfs/dbraw/zinc/72/76/57/454727657.db2.gz QPNSVBZUVWTXOV-INIZCTEOSA-N 1 2 345.424 3.329 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCOC[C@H]3C3CC3)cs2)c1 ZINC000093645220 454727662 /nfs/dbraw/zinc/72/76/62/454727662.db2.gz QPNSVBZUVWTXOV-INIZCTEOSA-N 1 2 345.424 3.329 20 5 EGBDLO C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000150780223 454891333 /nfs/dbraw/zinc/89/13/33/454891333.db2.gz IVOVQEBODNCZRL-KBPBESRZSA-N 1 2 342.399 3.431 20 5 EGBDLO CN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000154405771 454893273 /nfs/dbraw/zinc/89/32/73/454893273.db2.gz HWIPLWBRTJIEHG-UHFFFAOYSA-N 1 2 335.791 3.256 20 5 EGBDLO CC(C)CCSc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000114337283 454951462 /nfs/dbraw/zinc/95/14/62/454951462.db2.gz XEWBHJKEMWCXHR-UHFFFAOYSA-N 1 2 348.428 3.386 20 5 EGBDLO CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000114724905 454972720 /nfs/dbraw/zinc/97/27/20/454972720.db2.gz AUXAQYPLPFBVLX-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000114724905 454972723 /nfs/dbraw/zinc/97/27/23/454972723.db2.gz AUXAQYPLPFBVLX-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO COC(=O)c1oc([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000180489401 455181120 /nfs/dbraw/zinc/18/11/20/455181120.db2.gz HCFHMBMLIBQPLB-GFCCVEGCSA-N 1 2 332.356 3.476 20 5 EGBDLO COC(=O)c1oc([C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000180489401 455181125 /nfs/dbraw/zinc/18/11/25/455181125.db2.gz HCFHMBMLIBQPLB-GFCCVEGCSA-N 1 2 332.356 3.476 20 5 EGBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292312224 455626075 /nfs/dbraw/zinc/62/60/75/455626075.db2.gz NKLHEZQHDGOPPI-ZIAGYGMSSA-N 1 2 333.432 3.062 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000292505512 455681525 /nfs/dbraw/zinc/68/15/25/455681525.db2.gz NWWPTUJOLOHDLV-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000280078549 455886981 /nfs/dbraw/zinc/88/69/81/455886981.db2.gz NRFRPSBAUBFARH-WFASDCNBSA-N 1 2 346.387 3.236 20 5 EGBDLO CC(C)c1nnc([C@@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000280078549 455886986 /nfs/dbraw/zinc/88/69/86/455886986.db2.gz NRFRPSBAUBFARH-WFASDCNBSA-N 1 2 346.387 3.236 20 5 EGBDLO CC(C)[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1[nH]cc[nH+]1 ZINC000285667856 455893218 /nfs/dbraw/zinc/89/32/18/455893218.db2.gz PGIOMIVBBUQYRT-HNNXBMFYSA-N 1 2 329.360 3.012 20 5 EGBDLO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000296753300 456029249 /nfs/dbraw/zinc/02/92/49/456029249.db2.gz PWTWCHYNUKVETJ-UGSOOPFHSA-N 1 2 339.395 3.265 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000272808883 456075532 /nfs/dbraw/zinc/07/55/32/456075532.db2.gz MSOKCPZRPJVHGQ-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000272808883 456075536 /nfs/dbraw/zinc/07/55/36/456075536.db2.gz MSOKCPZRPJVHGQ-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000272808883 456075540 /nfs/dbraw/zinc/07/55/40/456075540.db2.gz MSOKCPZRPJVHGQ-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000272808883 456075547 /nfs/dbraw/zinc/07/55/47/456075547.db2.gz MSOKCPZRPJVHGQ-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000272808883 456075550 /nfs/dbraw/zinc/07/55/50/456075550.db2.gz MSOKCPZRPJVHGQ-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000272808883 456075556 /nfs/dbraw/zinc/07/55/56/456075556.db2.gz MSOKCPZRPJVHGQ-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO O=C(CC1CCCCC1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000332505460 456084894 /nfs/dbraw/zinc/08/48/94/456084894.db2.gz BFPDHXDVIGTEFB-UHFFFAOYSA-N 1 2 345.443 3.209 20 5 EGBDLO Cc1cc(NC[C@H]2CCC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301384194 456104642 /nfs/dbraw/zinc/10/46/42/456104642.db2.gz BQEBBDHRWPIEQE-BBRMVZONSA-N 1 2 342.399 3.323 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000289824644 456145500 /nfs/dbraw/zinc/14/55/00/456145500.db2.gz OIBCQULHYIUBAS-PWSUYJOCSA-N 1 2 341.358 3.207 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000289824644 456145503 /nfs/dbraw/zinc/14/55/03/456145503.db2.gz OIBCQULHYIUBAS-PWSUYJOCSA-N 1 2 341.358 3.207 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000281688015 456294225 /nfs/dbraw/zinc/29/42/25/456294225.db2.gz GGMVTZNTUNBXGR-MRXNPFEDSA-N 1 2 342.399 3.487 20 5 EGBDLO CCc1cc(N[C@@H]2C[C@H](O)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302397790 456340453 /nfs/dbraw/zinc/34/04/53/456340453.db2.gz JLDVAUKRAXGRRJ-CABCVRRESA-N 1 2 342.399 3.186 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000352829509 456344854 /nfs/dbraw/zinc/34/48/54/456344854.db2.gz GUYOWHFRNOPGJC-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOc2ccc(C)cc2C1 ZINC000352829509 456344858 /nfs/dbraw/zinc/34/48/58/456344858.db2.gz GUYOWHFRNOPGJC-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276262804 456426968 /nfs/dbraw/zinc/42/69/68/456426968.db2.gz BKAADQBRPQKDFJ-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCn2c[nH+]cc2C1 ZINC000291497004 456661388 /nfs/dbraw/zinc/66/13/88/456661388.db2.gz HBKGOURWNDJFCO-UHFFFAOYSA-N 1 2 327.171 3.114 20 5 EGBDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283027186 456693609 /nfs/dbraw/zinc/69/36/09/456693609.db2.gz HIMLAFWOOZWYOZ-ZYHUDNBSSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283027186 456693615 /nfs/dbraw/zinc/69/36/15/456693615.db2.gz HIMLAFWOOZWYOZ-ZYHUDNBSSA-N 1 2 343.221 3.093 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000299484995 456707304 /nfs/dbraw/zinc/70/73/04/456707304.db2.gz DMTKLGRJZTVMFP-UHFFFAOYSA-N 1 2 346.412 3.060 20 5 EGBDLO CSc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000299680913 456762663 /nfs/dbraw/zinc/76/26/63/456762663.db2.gz RWHWXMHROJZTCW-UHFFFAOYSA-N 1 2 346.412 3.060 20 5 EGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccncc1F ZINC000338338582 456776270 /nfs/dbraw/zinc/77/62/70/456776270.db2.gz BKHTUAXIBYBDAW-SNVBAGLBSA-N 1 2 343.318 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000292018194 456830696 /nfs/dbraw/zinc/83/06/96/456830696.db2.gz CCDKJOJOGZFIAP-INIZCTEOSA-N 1 2 345.403 3.133 20 5 EGBDLO COc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)ccc1F ZINC000338637387 456847852 /nfs/dbraw/zinc/84/78/52/456847852.db2.gz MXHKNHSSSUDDKM-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CCOC(=O)c1cc(NCCc2cc[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000339053961 456917593 /nfs/dbraw/zinc/91/75/93/456917593.db2.gz HWQQDAIVTGRGRR-UHFFFAOYSA-N 1 2 329.356 3.130 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000339104206 456942095 /nfs/dbraw/zinc/94/20/95/456942095.db2.gz VGSXSLFZAOVJMO-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000339104206 456942098 /nfs/dbraw/zinc/94/20/98/456942098.db2.gz VGSXSLFZAOVJMO-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1O ZINC000339112416 456945926 /nfs/dbraw/zinc/94/59/26/456945926.db2.gz OMLRSOJWTZWOCH-ZDUSSCGKSA-N 1 2 332.322 3.206 20 5 EGBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1O ZINC000339112416 456945930 /nfs/dbraw/zinc/94/59/30/456945930.db2.gz OMLRSOJWTZWOCH-ZDUSSCGKSA-N 1 2 332.322 3.206 20 5 EGBDLO CC(C)(CO)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339130005 456953901 /nfs/dbraw/zinc/95/39/01/456953901.db2.gz IHXRAGKOLOGMJW-QGZVFWFLSA-N 1 2 330.384 3.150 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000342228849 457181815 /nfs/dbraw/zinc/18/18/15/457181815.db2.gz LYFANBCHHJBSBG-LLVKDONJSA-N 1 2 346.214 3.177 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000342228849 457181820 /nfs/dbraw/zinc/18/18/20/457181820.db2.gz LYFANBCHHJBSBG-LLVKDONJSA-N 1 2 346.214 3.177 20 5 EGBDLO Cn1c[nH+]c2cc(Nc3ncc(Br)cc3[N+](=O)[O-])ccc21 ZINC000354429218 457215765 /nfs/dbraw/zinc/21/57/65/457215765.db2.gz VNKFNVRKWBFWRY-UHFFFAOYSA-N 1 2 348.160 3.383 20 5 EGBDLO Cc1[nH+]c2ccccc2n1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000342469105 457321391 /nfs/dbraw/zinc/32/13/91/457321391.db2.gz FKZBEJQVMAISDW-UHFFFAOYSA-N 1 2 335.323 3.351 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nc(C4CC4)cs3)C2)nc1 ZINC000342758652 457503719 /nfs/dbraw/zinc/50/37/19/457503719.db2.gz VWZGIWLYUPZWRX-GFCCVEGCSA-N 1 2 345.428 3.010 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nc(C4CC4)cs3)C2)nc1 ZINC000342758652 457503726 /nfs/dbraw/zinc/50/37/26/457503726.db2.gz VWZGIWLYUPZWRX-GFCCVEGCSA-N 1 2 345.428 3.010 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nc(C4CC4)cs3)C2)nc1 ZINC000342758653 457503799 /nfs/dbraw/zinc/50/37/99/457503799.db2.gz VWZGIWLYUPZWRX-LBPRGKRZSA-N 1 2 345.428 3.010 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nc(C4CC4)cs3)C2)nc1 ZINC000342758653 457503806 /nfs/dbraw/zinc/50/38/06/457503806.db2.gz VWZGIWLYUPZWRX-LBPRGKRZSA-N 1 2 345.428 3.010 20 5 EGBDLO Cc1ccc(Cc2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)c[nH+]1 ZINC000356174628 457506860 /nfs/dbraw/zinc/50/68/60/457506860.db2.gz PEJNKDXPHSKMLI-UHFFFAOYSA-N 1 2 349.350 3.275 20 5 EGBDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361613373 457806011 /nfs/dbraw/zinc/80/60/11/457806011.db2.gz XONDVQNNBPVGKG-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361613373 457806017 /nfs/dbraw/zinc/80/60/17/457806017.db2.gz XONDVQNNBPVGKG-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444698096 457946182 /nfs/dbraw/zinc/94/61/82/457946182.db2.gz BWFZXQOTVBXVQD-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444698096 457946188 /nfs/dbraw/zinc/94/61/88/457946188.db2.gz BWFZXQOTVBXVQD-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708524 457950278 /nfs/dbraw/zinc/95/02/78/457950278.db2.gz RKNDDCKSSXBTKT-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708524 457950283 /nfs/dbraw/zinc/95/02/83/457950283.db2.gz RKNDDCKSSXBTKT-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000427508061 457996253 /nfs/dbraw/zinc/99/62/53/457996253.db2.gz XHSMJDAWFBVQKO-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000434960584 458070168 /nfs/dbraw/zinc/07/01/68/458070168.db2.gz VDHTUUSKCZFGOV-UHFFFAOYSA-N 1 2 329.747 3.441 20 5 EGBDLO Cc1cc[nH+]c(C)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000362398224 458153097 /nfs/dbraw/zinc/15/30/97/458153097.db2.gz VIDFAZOLCAIDSA-UHFFFAOYSA-N 1 2 326.356 3.433 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369548766 458261737 /nfs/dbraw/zinc/26/17/37/458261737.db2.gz GTLBDPQCCIXODS-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369548766 458261742 /nfs/dbraw/zinc/26/17/42/458261742.db2.gz GTLBDPQCCIXODS-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO Cc1cccc2c1C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000429559021 458345472 /nfs/dbraw/zinc/34/54/72/458345472.db2.gz GJBBJVGEWSYGHN-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000429559021 458345475 /nfs/dbraw/zinc/34/54/75/458345475.db2.gz GJBBJVGEWSYGHN-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO CC(C)(C)[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447814346 458346092 /nfs/dbraw/zinc/34/60/92/458346092.db2.gz ZOFFRCVQGCNXTH-MRXNPFEDSA-N 1 2 347.459 3.299 20 5 EGBDLO Cc1cccc2c1C[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000429564754 458347149 /nfs/dbraw/zinc/34/71/49/458347149.db2.gz QGZZQWIYVVELAF-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cccc2c1C[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000429564754 458347154 /nfs/dbraw/zinc/34/71/54/458347154.db2.gz QGZZQWIYVVELAF-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)n1 ZINC000376651890 458361418 /nfs/dbraw/zinc/36/14/18/458361418.db2.gz NXPDVAJEUQADPN-UHFFFAOYSA-N 1 2 340.305 3.046 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000373638772 458560804 /nfs/dbraw/zinc/56/08/04/458560804.db2.gz NFHYCDZTEYFVFK-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000373638772 458560808 /nfs/dbraw/zinc/56/08/08/458560808.db2.gz NFHYCDZTEYFVFK-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)c(Br)c1 ZINC000373844317 458623494 /nfs/dbraw/zinc/62/34/94/458623494.db2.gz IVUGZLXYQWOSLB-LBPRGKRZSA-N 1 2 337.177 3.422 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494258951 458648503 /nfs/dbraw/zinc/64/85/03/458648503.db2.gz GACDJFJJTGDUKV-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494258951 458648513 /nfs/dbraw/zinc/64/85/13/458648513.db2.gz GACDJFJJTGDUKV-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO Cc1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1[N+](=O)[O-] ZINC000547013339 458693181 /nfs/dbraw/zinc/69/31/81/458693181.db2.gz CJZURMZNISYYHM-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456857949 458802258 /nfs/dbraw/zinc/80/22/58/458802258.db2.gz LKGJGQNQYYXXKC-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO C[C@@H](CC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457210927 458898898 /nfs/dbraw/zinc/89/88/98/458898898.db2.gz FKDXVNXJHNFOSE-LBPRGKRZSA-N 1 2 330.388 3.335 20 5 EGBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2cc[nH+]cc21 ZINC000532290988 459061100 /nfs/dbraw/zinc/06/11/00/459061100.db2.gz HQEGABILRKSWET-UHFFFAOYSA-N 1 2 343.364 3.252 20 5 EGBDLO COC(=O)N1CCC(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000496467235 459203129 /nfs/dbraw/zinc/20/31/29/459203129.db2.gz DZVBJEINWIQUDD-UHFFFAOYSA-N 1 2 344.371 3.033 20 5 EGBDLO Cc1noc(C[N@H+](C)CCOc2ccccc2Cl)c1[N+](=O)[O-] ZINC000595285445 459265953 /nfs/dbraw/zinc/26/59/53/459265953.db2.gz ZBYZODKRQNZAFG-UHFFFAOYSA-N 1 2 325.752 3.055 20 5 EGBDLO Cc1noc(C[N@@H+](C)CCOc2ccccc2Cl)c1[N+](=O)[O-] ZINC000595285445 459265957 /nfs/dbraw/zinc/26/59/57/459265957.db2.gz ZBYZODKRQNZAFG-UHFFFAOYSA-N 1 2 325.752 3.055 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000595293125 459269882 /nfs/dbraw/zinc/26/98/82/459269882.db2.gz YYSBDLCOALXPDT-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c(OC)c1 ZINC000595293125 459269887 /nfs/dbraw/zinc/26/98/87/459269887.db2.gz YYSBDLCOALXPDT-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO Cc1noc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595298356 459271597 /nfs/dbraw/zinc/27/15/97/459271597.db2.gz QUZZKQUAPRDFDB-HNNXBMFYSA-N 1 2 349.362 3.212 20 5 EGBDLO Cc1noc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595298356 459271602 /nfs/dbraw/zinc/27/16/02/459271602.db2.gz QUZZKQUAPRDFDB-HNNXBMFYSA-N 1 2 349.362 3.212 20 5 EGBDLO Cc1noc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595346480 459281950 /nfs/dbraw/zinc/28/19/50/459281950.db2.gz WTGKFEJWDRVWQQ-UHFFFAOYSA-N 1 2 345.277 3.422 20 5 EGBDLO Cc1noc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000595346480 459281956 /nfs/dbraw/zinc/28/19/56/459281956.db2.gz WTGKFEJWDRVWQQ-UHFFFAOYSA-N 1 2 345.277 3.422 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595343767 459282287 /nfs/dbraw/zinc/28/22/87/459282287.db2.gz JCEPYTNYMWMABQ-SFHVURJKSA-N 1 2 330.359 3.482 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595343767 459282293 /nfs/dbraw/zinc/28/22/93/459282293.db2.gz JCEPYTNYMWMABQ-SFHVURJKSA-N 1 2 330.359 3.482 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC3CCN(CC(F)F)CC3)c2c1 ZINC000591143043 459322216 /nfs/dbraw/zinc/32/22/16/459322216.db2.gz NBVPOWRVVOJYDS-UHFFFAOYSA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000483516289 459374443 /nfs/dbraw/zinc/37/44/43/459374443.db2.gz GATIQYPNGAJHMT-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000483516289 459374445 /nfs/dbraw/zinc/37/44/45/459374445.db2.gz GATIQYPNGAJHMT-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000595761127 459429994 /nfs/dbraw/zinc/42/99/94/459429994.db2.gz ZIXCACUTIDBNAC-UHFFFAOYSA-N 1 2 339.351 3.303 20 5 EGBDLO COc1ccc2c(c1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000595761127 459429999 /nfs/dbraw/zinc/42/99/99/459429999.db2.gz ZIXCACUTIDBNAC-UHFFFAOYSA-N 1 2 339.351 3.303 20 5 EGBDLO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nnc2n1CCCCC2 ZINC000595802715 459447906 /nfs/dbraw/zinc/44/79/06/459447906.db2.gz XLBKKFHASXVBNG-HNNXBMFYSA-N 1 2 347.394 3.293 20 5 EGBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596434038 459634476 /nfs/dbraw/zinc/63/44/76/459634476.db2.gz WTYGAHSSKPJZAJ-MNOVXSKESA-N 1 2 329.347 3.054 20 5 EGBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596434038 459634479 /nfs/dbraw/zinc/63/44/79/459634479.db2.gz WTYGAHSSKPJZAJ-MNOVXSKESA-N 1 2 329.347 3.054 20 5 EGBDLO CC(C)(C)N1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000596522585 459665034 /nfs/dbraw/zinc/66/50/34/459665034.db2.gz WCOQGJDDOMPESP-GFCCVEGCSA-N 1 2 342.399 3.202 20 5 EGBDLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000501075928 459709920 /nfs/dbraw/zinc/70/99/20/459709920.db2.gz FTMTUJBSRBMPFF-CRAIPNDOSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000501075928 459709925 /nfs/dbraw/zinc/70/99/25/459709925.db2.gz FTMTUJBSRBMPFF-CRAIPNDOSA-N 1 2 342.395 3.436 20 5 EGBDLO COc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c([N+](=O)[O-])cc1O ZINC000608781934 459881564 /nfs/dbraw/zinc/88/15/64/459881564.db2.gz GAMCFAMDZAKVBJ-ZWNOBZJWSA-N 1 2 332.356 3.315 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000587543268 459893152 /nfs/dbraw/zinc/89/31/52/459893152.db2.gz JXNFCKQNAOCAHY-UHFFFAOYSA-N 1 2 331.347 3.310 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598463968 459903865 /nfs/dbraw/zinc/90/38/65/459903865.db2.gz DKKJUEWOVFHQDB-NSHDSACASA-N 1 2 348.428 3.321 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H](NCC[N@H+]2CC=CCC2)C(F)(F)F)cc1 ZINC000593711214 459959663 /nfs/dbraw/zinc/95/96/63/459959663.db2.gz STXYDDUVSHQAKR-CQSZACIVSA-N 1 2 329.322 3.050 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H](NCC[N@@H+]2CC=CCC2)C(F)(F)F)cc1 ZINC000593711214 459959673 /nfs/dbraw/zinc/95/96/73/459959673.db2.gz STXYDDUVSHQAKR-CQSZACIVSA-N 1 2 329.322 3.050 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cccc(F)c2)c1 ZINC000589494790 460095844 /nfs/dbraw/zinc/09/58/44/460095844.db2.gz YLFRQXRDPKEVMG-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cccc(F)c2)c1 ZINC000589494790 460095850 /nfs/dbraw/zinc/09/58/50/460095850.db2.gz YLFRQXRDPKEVMG-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)cc1OC(F)F ZINC000610276363 460102818 /nfs/dbraw/zinc/10/28/18/460102818.db2.gz QEYFDFXMDHQOET-LBPRGKRZSA-N 1 2 338.314 3.234 20 5 EGBDLO CCC[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000599062570 460147904 /nfs/dbraw/zinc/14/79/04/460147904.db2.gz ZTBXMBDTCJWIAM-DLBZAZTESA-N 1 2 346.431 3.213 20 5 EGBDLO COc1ccc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000614922345 460245448 /nfs/dbraw/zinc/24/54/48/460245448.db2.gz PVBFDIAYGPPHCA-AWEZNQCLSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1ccc(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000614922345 460245452 /nfs/dbraw/zinc/24/54/52/460245452.db2.gz PVBFDIAYGPPHCA-AWEZNQCLSA-N 1 2 348.321 3.147 20 5 EGBDLO O=[N+]([O-])c1ncccc1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000603862647 460350548 /nfs/dbraw/zinc/35/05/48/460350548.db2.gz VZKWYJLAZHYDTR-UHFFFAOYSA-N 1 2 327.388 3.377 20 5 EGBDLO C[C@H]1CN(c2ccc(Nc3sccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000611411589 460359159 /nfs/dbraw/zinc/35/91/59/460359159.db2.gz MVRUNSWTXCDFMF-QWRGUYRKSA-N 1 2 334.401 3.409 20 5 EGBDLO CC[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615992186 460443499 /nfs/dbraw/zinc/44/34/99/460443499.db2.gz JUMGRISVHTYUIM-OAHLLOKOSA-N 1 2 333.432 3.053 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2CCCC[C@H]2C1 ZINC000615994589 460444877 /nfs/dbraw/zinc/44/48/77/460444877.db2.gz YBKODWDKVXLZOA-IRXDYDNUSA-N 1 2 345.443 3.053 20 5 EGBDLO C[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000615996115 460445884 /nfs/dbraw/zinc/44/58/84/460445884.db2.gz AEMYWSADHKWTOK-OAHLLOKOSA-N 1 2 333.432 3.053 20 5 EGBDLO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181713488 533948826 /nfs/dbraw/zinc/94/88/26/533948826.db2.gz QRTSGNAEUZATMV-NSHDSACASA-N 1 2 327.388 3.249 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cc(OC)c1 ZINC000353461375 536746748 /nfs/dbraw/zinc/74/67/48/536746748.db2.gz GEXQVCDZRJDABZ-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cc(OC)c1 ZINC000353461375 536746753 /nfs/dbraw/zinc/74/67/53/536746753.db2.gz GEXQVCDZRJDABZ-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO Cc1c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000731669289 575195478 /nfs/dbraw/zinc/19/54/78/575195478.db2.gz DZOZPMKQHIRRBV-ZDUSSCGKSA-N 1 2 349.431 3.344 20 5 EGBDLO Cc1c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000731669289 575195480 /nfs/dbraw/zinc/19/54/80/575195480.db2.gz DZOZPMKQHIRRBV-ZDUSSCGKSA-N 1 2 349.431 3.344 20 5 EGBDLO CC1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000732984386 575299611 /nfs/dbraw/zinc/29/96/11/575299611.db2.gz QNMHCXIOITZYFX-UHFFFAOYSA-N 1 2 325.796 3.309 20 5 EGBDLO CC1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000732984386 575299612 /nfs/dbraw/zinc/29/96/12/575299612.db2.gz QNMHCXIOITZYFX-UHFFFAOYSA-N 1 2 325.796 3.309 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000736750853 576020140 /nfs/dbraw/zinc/02/01/40/576020140.db2.gz IPLGVVUXMKYTON-UHFFFAOYSA-N 1 2 330.340 3.281 20 5 EGBDLO Cc1nn(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000738244728 576305308 /nfs/dbraw/zinc/30/53/08/576305308.db2.gz IFPNWUXRZPQGCE-OAHLLOKOSA-N 1 2 332.429 3.156 20 5 EGBDLO Cc1nn(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000738244728 576305312 /nfs/dbraw/zinc/30/53/12/576305312.db2.gz IFPNWUXRZPQGCE-OAHLLOKOSA-N 1 2 332.429 3.156 20 5 EGBDLO CCC[C@]1(C)CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000743404859 576808563 /nfs/dbraw/zinc/80/85/63/576808563.db2.gz XPHYFVXALBDVDD-GOSISDBHSA-N 1 2 345.399 3.051 20 5 EGBDLO CCC[C@]1(C)CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000743404859 576808564 /nfs/dbraw/zinc/80/85/64/576808564.db2.gz XPHYFVXALBDVDD-GOSISDBHSA-N 1 2 345.399 3.051 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744385800 576826844 /nfs/dbraw/zinc/82/68/44/576826844.db2.gz PDMQQKZNHTUFCE-CYBMUJFWSA-N 1 2 335.404 3.209 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC(C)(C)C1 ZINC000072827555 1292293840 /nfs/dbraw/zinc/29/38/40/1292293840.db2.gz FLNLZDBHVSEDQW-JTQLQIEISA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC(C)(C)C1 ZINC000072827555 1292293847 /nfs/dbraw/zinc/29/38/47/1292293847.db2.gz FLNLZDBHVSEDQW-JTQLQIEISA-N 1 2 325.796 3.307 20 5 EGBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000109003281 1293084842 /nfs/dbraw/zinc/08/48/42/1293084842.db2.gz XJGBWPUIQKOADR-UHFFFAOYSA-N 1 2 347.802 3.240 20 5 EGBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000109003281 1293084848 /nfs/dbraw/zinc/08/48/48/1293084848.db2.gz XJGBWPUIQKOADR-UHFFFAOYSA-N 1 2 347.802 3.240 20 5 EGBDLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000118414564 1293236465 /nfs/dbraw/zinc/23/64/65/1293236465.db2.gz SZPFTAPOOFIXDK-NXEZZACHSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000118414564 1293236467 /nfs/dbraw/zinc/23/64/67/1293236467.db2.gz SZPFTAPOOFIXDK-NXEZZACHSA-N 1 2 343.836 3.013 20 5 EGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000177521924 1294675373 /nfs/dbraw/zinc/67/53/73/1294675373.db2.gz IQFAUQJSVACUQV-UHFFFAOYSA-N 1 2 343.836 3.014 20 5 EGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000177521924 1294675377 /nfs/dbraw/zinc/67/53/77/1294675377.db2.gz IQFAUQJSVACUQV-UHFFFAOYSA-N 1 2 343.836 3.014 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000748293560 1298978475 /nfs/dbraw/zinc/97/84/75/1298978475.db2.gz XVUOMQGTZGVSRO-UHFFFAOYSA-N 1 2 343.309 3.085 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000748293560 1298978486 /nfs/dbraw/zinc/97/84/86/1298978486.db2.gz XVUOMQGTZGVSRO-UHFFFAOYSA-N 1 2 343.309 3.085 20 5 EGBDLO C[C@H]1CN(c2ccc([NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000876866088 1299041881 /nfs/dbraw/zinc/04/18/81/1299041881.db2.gz NTGOWJNBEDXYLC-HNNXBMFYSA-N 1 2 341.411 3.475 20 5 EGBDLO Cc1[nH]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cn3C)c2)[nH+]c1C ZINC000749581591 1299240353 /nfs/dbraw/zinc/24/03/53/1299240353.db2.gz FNBUYKCGITWJKM-UHFFFAOYSA-N 1 2 339.355 3.193 20 5 EGBDLO Cc1cc(F)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000753090991 1299868514 /nfs/dbraw/zinc/86/85/14/1299868514.db2.gz SBLKLIUDSLEPLU-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000878315295 1299913084 /nfs/dbraw/zinc/91/30/84/1299913084.db2.gz KZIGLIBPOBSXIL-SECBINFHSA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000878315295 1299913090 /nfs/dbraw/zinc/91/30/90/1299913090.db2.gz KZIGLIBPOBSXIL-SECBINFHSA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000769245032 1303080832 /nfs/dbraw/zinc/08/08/32/1303080832.db2.gz PWCNECTXVCNTLV-RTBURBONSA-N 1 2 342.395 3.389 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000769245032 1303080837 /nfs/dbraw/zinc/08/08/37/1303080837.db2.gz PWCNECTXVCNTLV-RTBURBONSA-N 1 2 342.395 3.389 20 5 EGBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000769532347 1303135739 /nfs/dbraw/zinc/13/57/39/1303135739.db2.gz JIXLMNRSURVEDR-ZDUSSCGKSA-N 1 2 345.237 3.196 20 5 EGBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000769532347 1303135743 /nfs/dbraw/zinc/13/57/43/1303135743.db2.gz JIXLMNRSURVEDR-ZDUSSCGKSA-N 1 2 345.237 3.196 20 5 EGBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c(OC)c1 ZINC000885932812 1303284078 /nfs/dbraw/zinc/28/40/78/1303284078.db2.gz CNHJEBCOWLCPSO-MRXNPFEDSA-N 1 2 343.383 3.344 20 5 EGBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])c(OC)c1 ZINC000885932812 1303284081 /nfs/dbraw/zinc/28/40/81/1303284081.db2.gz CNHJEBCOWLCPSO-MRXNPFEDSA-N 1 2 343.383 3.344 20 5 EGBDLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000770922027 1303332896 /nfs/dbraw/zinc/33/28/96/1303332896.db2.gz WWLOOQFEUYAEKA-UHFFFAOYSA-N 1 2 331.715 3.253 20 5 EGBDLO Cc1cccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1C ZINC000793544591 1309401449 /nfs/dbraw/zinc/40/14/49/1309401449.db2.gz YCCKUJUFYLGWDZ-UHFFFAOYSA-N 1 2 341.367 3.209 20 5 EGBDLO Cc1cccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c1C ZINC000793544591 1309401455 /nfs/dbraw/zinc/40/14/55/1309401455.db2.gz YCCKUJUFYLGWDZ-UHFFFAOYSA-N 1 2 341.367 3.209 20 5 EGBDLO CC(C)(C)[C@@H]1CCC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000794704267 1309578386 /nfs/dbraw/zinc/57/83/86/1309578386.db2.gz FBJDOEOEAMDCMO-SNVBAGLBSA-N 1 2 345.241 3.269 20 5 EGBDLO CC(C)(C)[C@@H]1CCC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000794704267 1309578382 /nfs/dbraw/zinc/57/83/82/1309578382.db2.gz FBJDOEOEAMDCMO-SNVBAGLBSA-N 1 2 345.241 3.269 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(F)(F)CC1 ZINC000796541758 1310025083 /nfs/dbraw/zinc/02/50/83/1310025083.db2.gz NBMGLBIUXONWJL-SNVBAGLBSA-N 1 2 338.314 3.437 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3cnn(CC4CCC4)c3)nc2c1 ZINC000897429167 1310334558 /nfs/dbraw/zinc/33/45/58/1310334558.db2.gz BQVPNQJSHKRIDS-UHFFFAOYSA-N 1 2 341.371 3.022 20 5 EGBDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000897895545 1310510680 /nfs/dbraw/zinc/51/06/80/1310510680.db2.gz AMRQMOBLYOKYHB-UHFFFAOYSA-N 1 2 347.415 3.038 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1Cc2ccccc2C1 ZINC000804389363 1317227396 /nfs/dbraw/zinc/22/73/96/1317227396.db2.gz QXZBJSAQLCWEGD-UHFFFAOYSA-N 1 2 325.368 3.225 20 5 EGBDLO Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000809689377 1317862695 /nfs/dbraw/zinc/86/26/95/1317862695.db2.gz ZQYZRMAGQWXUSD-UHFFFAOYSA-N 1 2 343.214 3.310 20 5 EGBDLO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000809689377 1317862699 /nfs/dbraw/zinc/86/26/99/1317862699.db2.gz ZQYZRMAGQWXUSD-UHFFFAOYSA-N 1 2 343.214 3.310 20 5 EGBDLO Cc1cc(C)c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000908127024 1318303222 /nfs/dbraw/zinc/30/32/22/1318303222.db2.gz WDYQQBRWOXJDIH-UHFFFAOYSA-N 1 2 327.384 3.230 20 5 EGBDLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281728 1319312732 /nfs/dbraw/zinc/31/27/32/1319312732.db2.gz OJDOPBXYVREKCN-NXEZZACHSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281728 1319312739 /nfs/dbraw/zinc/31/27/39/1319312739.db2.gz OJDOPBXYVREKCN-NXEZZACHSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281729 1319313376 /nfs/dbraw/zinc/31/33/76/1319313376.db2.gz OJDOPBXYVREKCN-UWVGGRQHSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281729 1319313383 /nfs/dbraw/zinc/31/33/83/1319313383.db2.gz OJDOPBXYVREKCN-UWVGGRQHSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000916152349 1319611529 /nfs/dbraw/zinc/61/15/29/1319611529.db2.gz PRCSEZRDRFEYCZ-CYBMUJFWSA-N 1 2 325.368 3.153 20 5 EGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000916152349 1319611538 /nfs/dbraw/zinc/61/15/38/1319611538.db2.gz PRCSEZRDRFEYCZ-CYBMUJFWSA-N 1 2 325.368 3.153 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000836615879 1320511906 /nfs/dbraw/zinc/51/19/06/1320511906.db2.gz XCKLIGLBBZXPCT-GFCCVEGCSA-N 1 2 348.790 3.230 20 5 EGBDLO C[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC2(CCC2)O1 ZINC000842639632 1321411486 /nfs/dbraw/zinc/41/14/86/1321411486.db2.gz LDUMHXLBHLYDKN-AWEZNQCLSA-N 1 2 342.399 3.059 20 5 EGBDLO C[C@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC2(CCC2)O1 ZINC000842639632 1321411488 /nfs/dbraw/zinc/41/14/88/1321411488.db2.gz LDUMHXLBHLYDKN-AWEZNQCLSA-N 1 2 342.399 3.059 20 5 EGBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000848489811 1321964673 /nfs/dbraw/zinc/96/46/73/1321964673.db2.gz SJIXNNXSELFQOP-AWEZNQCLSA-N 1 2 342.399 3.059 20 5 EGBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000848489811 1321964676 /nfs/dbraw/zinc/96/46/76/1321964676.db2.gz SJIXNNXSELFQOP-AWEZNQCLSA-N 1 2 342.399 3.059 20 5 EGBDLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000922779399 1322615719 /nfs/dbraw/zinc/61/57/19/1322615719.db2.gz VZYKFNQBRZNCBX-CYBMUJFWSA-N 1 2 328.372 3.167 20 5 EGBDLO CN1CC[NH+](Cc2ccccc2Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001204457513 1370482349 /nfs/dbraw/zinc/48/23/49/1370482349.db2.gz ZFWUCAQGBCGVPL-UHFFFAOYSA-N 1 2 326.400 3.086 20 5 EGBDLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC001123454176 1372474971 /nfs/dbraw/zinc/47/49/71/1372474971.db2.gz WJDAJYZGSRJFEB-BBRMVZONSA-N 1 2 343.387 3.215 20 5 EGBDLO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212841327 1372783097 /nfs/dbraw/zinc/78/30/97/1372783097.db2.gz LLBCHTRRCIEOIR-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO O=[N+]([O-])c1ccc(F)c(Nc2cccc(C[NH+]3CCOCC3)c2)c1F ZINC001215294512 1373196063 /nfs/dbraw/zinc/19/60/63/1373196063.db2.gz AQFCXJRRJVJUMT-UHFFFAOYSA-N 1 2 349.337 3.449 20 5 EGBDLO Cn1ncc2c1C[N@H+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232226074 1376419360 /nfs/dbraw/zinc/41/93/60/1376419360.db2.gz RPVIVHXZLIESID-UHFFFAOYSA-N 1 2 329.407 3.075 20 5 EGBDLO Cn1ncc2c1C[N@@H+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232226074 1376419364 /nfs/dbraw/zinc/41/93/64/1376419364.db2.gz RPVIVHXZLIESID-UHFFFAOYSA-N 1 2 329.407 3.075 20 5 EGBDLO Nc1cc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cc[nH+]1 ZINC001156764047 1380629731 /nfs/dbraw/zinc/62/97/31/1380629731.db2.gz PTCQHEBRIJILKX-UHFFFAOYSA-N 1 2 339.330 3.385 20 5 EGBDLO Cc1cccn2c([C@H](C)Nc3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])c[nH+]c12 ZINC001160686255 1382170519 /nfs/dbraw/zinc/17/05/19/1382170519.db2.gz BZCCPFIDVFCQGN-JTQLQIEISA-N 1 2 347.762 3.011 20 5 EGBDLO C[N@@H+]1CCc2c(NCCC(=O)c3ccccc3)ccc([N+](=O)[O-])c2C1 ZINC001170017193 1384218843 /nfs/dbraw/zinc/21/88/43/1384218843.db2.gz AXGZQAMVAMKVNU-UHFFFAOYSA-N 1 2 339.395 3.268 20 5 EGBDLO C[N@H+]1CCc2c(NCCC(=O)c3ccccc3)ccc([N+](=O)[O-])c2C1 ZINC001170017193 1384218847 /nfs/dbraw/zinc/21/88/47/1384218847.db2.gz AXGZQAMVAMKVNU-UHFFFAOYSA-N 1 2 339.395 3.268 20 5 EGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(=O)OCc1ccccc1 ZINC001173236015 1384942157 /nfs/dbraw/zinc/94/21/57/1384942157.db2.gz DLDIMQHXTVXJFE-OAHLLOKOSA-N 1 2 342.395 3.201 20 5 EGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001173236015 1384942160 /nfs/dbraw/zinc/94/21/60/1384942160.db2.gz DLDIMQHXTVXJFE-OAHLLOKOSA-N 1 2 342.395 3.201 20 5 EGBDLO Cc1cncc([N+](=O)[O-])c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001322546044 1387203878 /nfs/dbraw/zinc/20/38/78/1387203878.db2.gz LDKSFIPISNZVNA-UHFFFAOYSA-N 1 2 329.404 3.192 20 5 EGBDLO CC[C@@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(N)=O ZINC000072086340 203161483 /nfs/dbraw/zinc/16/14/83/203161483.db2.gz AIWKXJMFGAVPAT-OAHLLOKOSA-N 1 2 336.420 3.392 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CC2)CC1 ZINC000378328648 169101323 /nfs/dbraw/zinc/10/13/23/169101323.db2.gz WPFDCPBYNLARSI-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO CSc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000378518785 169134757 /nfs/dbraw/zinc/13/47/57/169134757.db2.gz NVVZFRVQASSMGP-LLVKDONJSA-N 1 2 332.385 3.017 20 5 EGBDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000175264427 207109744 /nfs/dbraw/zinc/10/97/44/207109744.db2.gz SHCKDOFVTLDKQW-MNOVXSKESA-N 1 2 334.401 3.038 20 5 EGBDLO O=C1OCC[C@@H]1Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246581 284951870 /nfs/dbraw/zinc/95/18/70/284951870.db2.gz DUGLWUHITALGFQ-HNNXBMFYSA-N 1 2 335.388 3.443 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128149738 285117026 /nfs/dbraw/zinc/11/70/26/285117026.db2.gz OITBOKAYPLUWBW-UHFFFAOYSA-N 1 2 338.713 3.137 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246616754 141019416 /nfs/dbraw/zinc/01/94/16/141019416.db2.gz VHZZUUGADKORSJ-GUYCJALGSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246616754 141019420 /nfs/dbraw/zinc/01/94/20/141019420.db2.gz VHZZUUGADKORSJ-GUYCJALGSA-N 1 2 348.424 3.497 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000353447478 141298120 /nfs/dbraw/zinc/29/81/20/141298120.db2.gz MDSWEMVODDIVEM-HNNXBMFYSA-N 1 2 328.397 3.269 20 5 EGBDLO Cc1ccc(CS(=O)(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000185230267 144108392 /nfs/dbraw/zinc/10/83/92/144108392.db2.gz KZZHXRAQHAHMOD-CYBMUJFWSA-N 1 2 334.397 3.283 20 5 EGBDLO C[C@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000351510896 144271864 /nfs/dbraw/zinc/27/18/64/144271864.db2.gz AIZVGUHUGPNKDT-VIFPVBQESA-N 1 2 346.168 3.184 20 5 EGBDLO C[C@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000351510896 144271865 /nfs/dbraw/zinc/27/18/65/144271865.db2.gz AIZVGUHUGPNKDT-VIFPVBQESA-N 1 2 346.168 3.184 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(F)c1 ZINC000351823342 144312199 /nfs/dbraw/zinc/31/21/99/144312199.db2.gz LTKGVTRMILFDCW-ZDUSSCGKSA-N 1 2 326.343 3.264 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(F)c1 ZINC000351823342 144312202 /nfs/dbraw/zinc/31/22/02/144312202.db2.gz LTKGVTRMILFDCW-ZDUSSCGKSA-N 1 2 326.343 3.264 20 5 EGBDLO CCN(C)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000361565840 144329292 /nfs/dbraw/zinc/32/92/92/144329292.db2.gz QNNXWIZVBXGRQW-UHFFFAOYSA-N 1 2 326.400 3.004 20 5 EGBDLO CCN(C)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000361565840 144329293 /nfs/dbraw/zinc/32/92/93/144329293.db2.gz QNNXWIZVBXGRQW-UHFFFAOYSA-N 1 2 326.400 3.004 20 5 EGBDLO COc1cc[nH+]cc1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000341403017 155273559 /nfs/dbraw/zinc/27/35/59/155273559.db2.gz UHPBMRQNHKIYCF-UHFFFAOYSA-N 1 2 339.145 3.340 20 5 EGBDLO C[C@H]1C[NH+](C(C)(C)CNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000341423358 155284187 /nfs/dbraw/zinc/28/41/87/155284187.db2.gz VLYDQOHGMHXINO-RYUDHWBXSA-N 1 2 325.384 3.034 20 5 EGBDLO C[NH+](C)[C@@H](c1nc(Cc2ccccc2[N+](=O)[O-])no1)c1ccccc1 ZINC000345540489 156136520 /nfs/dbraw/zinc/13/65/20/156136520.db2.gz LXZMTKPMJLOLCV-QGZVFWFLSA-N 1 2 338.367 3.220 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCOc1ccccc1)CCO2 ZINC000352621885 156384709 /nfs/dbraw/zinc/38/47/09/156384709.db2.gz UXAXSPCTQFHXAY-UHFFFAOYSA-N 1 2 328.368 3.258 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCOc1ccccc1)CCO2 ZINC000352621885 156384716 /nfs/dbraw/zinc/38/47/16/156384716.db2.gz UXAXSPCTQFHXAY-UHFFFAOYSA-N 1 2 328.368 3.258 20 5 EGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000365229485 157094786 /nfs/dbraw/zinc/09/47/86/157094786.db2.gz UHQWQPDNUNDSLR-JTQLQIEISA-N 1 2 349.778 3.383 20 5 EGBDLO C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000097167425 162048073 /nfs/dbraw/zinc/04/80/73/162048073.db2.gz GLUGLRQKEZJENO-STQMWFEESA-N 1 2 342.399 3.335 20 5 EGBDLO Cc1cc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000125150631 162264664 /nfs/dbraw/zinc/26/46/64/162264664.db2.gz QWNGRQAYMCZCKN-UHFFFAOYSA-N 1 2 336.145 3.313 20 5 EGBDLO CCN(CCC1CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000354841547 166045212 /nfs/dbraw/zinc/04/52/12/166045212.db2.gz DYEVPQVKMWEQSU-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO CCc1ccc([C@H]2COCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000346523570 164391191 /nfs/dbraw/zinc/39/11/91/164391191.db2.gz BGEPBWQTNCNSRN-QGZVFWFLSA-N 1 2 346.383 3.203 20 5 EGBDLO CCc1ccc([C@H]2COCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000346523570 164391192 /nfs/dbraw/zinc/39/11/92/164391192.db2.gz BGEPBWQTNCNSRN-QGZVFWFLSA-N 1 2 346.383 3.203 20 5 EGBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000350939091 165083973 /nfs/dbraw/zinc/08/39/73/165083973.db2.gz LGCDRXSOVVDTQS-GOSISDBHSA-N 1 2 330.359 3.480 20 5 EGBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000350939091 165083975 /nfs/dbraw/zinc/08/39/75/165083975.db2.gz LGCDRXSOVVDTQS-GOSISDBHSA-N 1 2 330.359 3.480 20 5 EGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355293032 166156295 /nfs/dbraw/zinc/15/62/95/166156295.db2.gz SQSGHYKHKHIHKS-LLVKDONJSA-N 1 2 342.380 3.362 20 5 EGBDLO CCC(=O)c1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000359444984 167158726 /nfs/dbraw/zinc/15/87/26/167158726.db2.gz VVUYWFXYVJKMKE-UHFFFAOYSA-N 1 2 338.367 3.490 20 5 EGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000360194470 167267876 /nfs/dbraw/zinc/26/78/76/167267876.db2.gz LZNGOZPCMJPRNK-UHFFFAOYSA-N 1 2 337.339 3.102 20 5 EGBDLO O=[N+]([O-])c1c(NCc2cccc(-n3cc[nH+]c3)c2)nc2sccn21 ZINC000360351504 167308864 /nfs/dbraw/zinc/30/88/64/167308864.db2.gz HARRJYFKLIRIEG-UHFFFAOYSA-N 1 2 340.368 3.102 20 5 EGBDLO CN(C)c1ccc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000195055892 266156703 /nfs/dbraw/zinc/15/67/03/266156703.db2.gz VGDGRXICKBTFKZ-UHFFFAOYSA-N 1 2 336.351 3.461 20 5 EGBDLO Cc1cc(N[C@H]2CCCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266311503 266275188 /nfs/dbraw/zinc/27/51/88/266275188.db2.gz DLYLCIATWSVFMH-GJZGRUSLSA-N 1 2 328.372 3.076 20 5 EGBDLO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269896743 266376800 /nfs/dbraw/zinc/37/68/00/266376800.db2.gz SDTWIADBSXYPJI-XJKSGUPXSA-N 1 2 342.399 3.100 20 5 EGBDLO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1[nH+]ccn1C ZINC000272890014 266936666 /nfs/dbraw/zinc/93/66/66/266936666.db2.gz ZCJATMHROVGLCF-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO CCOc1cccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000273807000 267113433 /nfs/dbraw/zinc/11/34/33/267113433.db2.gz ACYFELVVWVBSFH-CYBMUJFWSA-N 1 2 328.372 3.079 20 5 EGBDLO Cc1cc(Nc2ncc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000274006238 267163914 /nfs/dbraw/zinc/16/39/14/267163914.db2.gz UJJFEOFCWVTHAF-LBPRGKRZSA-N 1 2 328.376 3.211 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000274982515 267314894 /nfs/dbraw/zinc/31/48/94/267314894.db2.gz MJCODFPSGSUJDW-SNVBAGLBSA-N 1 2 330.306 3.499 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000357038296 274005386 /nfs/dbraw/zinc/00/53/86/274005386.db2.gz MYOYFOHEZFCNRN-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000357038296 274005388 /nfs/dbraw/zinc/00/53/88/274005388.db2.gz MYOYFOHEZFCNRN-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000194612740 274151461 /nfs/dbraw/zinc/15/14/61/274151461.db2.gz VIDUJZIODZRFCW-UHFFFAOYSA-N 1 2 343.339 3.070 20 5 EGBDLO COc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000194612740 274151464 /nfs/dbraw/zinc/15/14/64/274151464.db2.gz VIDUJZIODZRFCW-UHFFFAOYSA-N 1 2 343.339 3.070 20 5 EGBDLO Cc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000282602541 275652539 /nfs/dbraw/zinc/65/25/39/275652539.db2.gz GDSZUAVJSLKODS-UHFFFAOYSA-N 1 2 328.372 3.313 20 5 EGBDLO COc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c(F)cc1[N+](=O)[O-] ZINC000159910746 277827050 /nfs/dbraw/zinc/82/70/50/277827050.db2.gz IARHQSMSMWOPMH-UHFFFAOYSA-N 1 2 348.378 3.162 20 5 EGBDLO CC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000061172336 278247224 /nfs/dbraw/zinc/24/72/24/278247224.db2.gz JTZMLYALWVPLPS-IBGZPJMESA-N 1 2 339.395 3.291 20 5 EGBDLO CC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000061172336 278247226 /nfs/dbraw/zinc/24/72/26/278247226.db2.gz JTZMLYALWVPLPS-IBGZPJMESA-N 1 2 339.395 3.291 20 5 EGBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264248786 290232848 /nfs/dbraw/zinc/23/28/48/290232848.db2.gz XKTJKUXDBDQEBU-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000255529994 308053089 /nfs/dbraw/zinc/05/30/89/308053089.db2.gz XQOVJTLJTQJTDZ-CLFYSBASSA-N 1 2 325.368 3.179 20 5 EGBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000255529994 308053090 /nfs/dbraw/zinc/05/30/90/308053090.db2.gz XQOVJTLJTQJTDZ-CLFYSBASSA-N 1 2 325.368 3.179 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccn1 ZINC000295111718 308292675 /nfs/dbraw/zinc/29/26/75/308292675.db2.gz HRNMERVGSBDYCB-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccn1 ZINC000295111718 308292676 /nfs/dbraw/zinc/29/26/76/308292676.db2.gz HRNMERVGSBDYCB-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO CCOCC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302326418 308736048 /nfs/dbraw/zinc/73/60/48/308736048.db2.gz YCEVYPFXMWWDHS-UHFFFAOYSA-N 1 2 348.230 3.060 20 5 EGBDLO CCN(CC)C(=O)N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000330736853 308798288 /nfs/dbraw/zinc/79/82/88/308798288.db2.gz XRXDNQWBBRHTPT-HNNXBMFYSA-N 1 2 348.447 3.044 20 5 EGBDLO CC(=O)NC1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413117069 309016921 /nfs/dbraw/zinc/01/69/21/309016921.db2.gz WZDIKGWYSGJTBI-UHFFFAOYSA-N 1 2 328.372 3.002 20 5 EGBDLO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417331978 309201970 /nfs/dbraw/zinc/20/19/70/309201970.db2.gz NDVVVXDRXKRUOC-MRXNPFEDSA-N 1 2 343.431 3.499 20 5 EGBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC000420959249 309304445 /nfs/dbraw/zinc/30/44/45/309304445.db2.gz QDCWIVSTIONNDH-SOUVJXGZSA-N 1 2 349.431 3.120 20 5 EGBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC000420959249 309304446 /nfs/dbraw/zinc/30/44/46/309304446.db2.gz QDCWIVSTIONNDH-SOUVJXGZSA-N 1 2 349.431 3.120 20 5 EGBDLO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccon1 ZINC000425431536 309480149 /nfs/dbraw/zinc/48/01/49/309480149.db2.gz IHKVVMBNFUPYDE-QMMMGPOBSA-N 1 2 326.150 3.196 20 5 EGBDLO CCOc1cc(C(=O)Nc2c(C)cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000425584075 309486782 /nfs/dbraw/zinc/48/67/82/309486782.db2.gz CIIZNPHDBIMSJK-UHFFFAOYSA-N 1 2 345.355 3.266 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448656638 310010992 /nfs/dbraw/zinc/01/09/92/310010992.db2.gz OJYDLPAEEMEEFS-HIFRSBDPSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@@H](N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1(C)CC1 ZINC000450077116 310102255 /nfs/dbraw/zinc/10/22/55/310102255.db2.gz VOODXGPEFMNUMD-GFCCVEGCSA-N 1 2 328.372 3.041 20 5 EGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1C1CC1 ZINC000451848135 310200140 /nfs/dbraw/zinc/20/01/40/310200140.db2.gz JPECFFQHBHPEHU-MRXNPFEDSA-N 1 2 340.383 3.041 20 5 EGBDLO CO[C@@H]1C[C@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451867744 310201073 /nfs/dbraw/zinc/20/10/73/310201073.db2.gz OMAKALFZJCHCCT-LSDHHAIUSA-N 1 2 326.343 3.262 20 5 EGBDLO CO[C@@H]1C[C@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451867744 310201074 /nfs/dbraw/zinc/20/10/74/310201074.db2.gz OMAKALFZJCHCCT-LSDHHAIUSA-N 1 2 326.343 3.262 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454944291 310336778 /nfs/dbraw/zinc/33/67/78/310336778.db2.gz QFHIPKGVQGYHNR-JQWIXIFHSA-N 1 2 329.360 3.236 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000455254858 310352544 /nfs/dbraw/zinc/35/25/44/310352544.db2.gz XKEIAIQHYKGDMA-GFCCVEGCSA-N 1 2 331.376 3.311 20 5 EGBDLO Cc1cc(NCC2CC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488443696 311065848 /nfs/dbraw/zinc/06/58/48/311065848.db2.gz BRWYNSWNHQCOJH-UHFFFAOYSA-N 1 2 334.326 3.239 20 5 EGBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831552 311154305 /nfs/dbraw/zinc/15/43/05/311154305.db2.gz YMNLNEIARROJHZ-KSSFIOAISA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831552 311154307 /nfs/dbraw/zinc/15/43/07/311154307.db2.gz YMNLNEIARROJHZ-KSSFIOAISA-N 1 2 345.443 3.254 20 5 EGBDLO CCOCCCCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512557992 312189321 /nfs/dbraw/zinc/18/93/21/312189321.db2.gz AWVABHUUOPBGAR-UHFFFAOYSA-N 1 2 344.415 3.265 20 5 EGBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513457112 312210891 /nfs/dbraw/zinc/21/08/91/312210891.db2.gz VFZUFWRLUNGIIZ-HWYHOQROSA-N 1 2 332.400 3.414 20 5 EGBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513457112 312210893 /nfs/dbraw/zinc/21/08/93/312210893.db2.gz VFZUFWRLUNGIIZ-HWYHOQROSA-N 1 2 332.400 3.414 20 5 EGBDLO Cc1cc(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000535774159 314072251 /nfs/dbraw/zinc/07/22/51/314072251.db2.gz PFMLSHDMWAWBKG-ZDUSSCGKSA-N 1 2 328.372 3.220 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC[C@H](F)C1 ZINC000564902974 316229724 /nfs/dbraw/zinc/22/97/24/316229724.db2.gz FUTDQHIXGGGBBH-LSDHHAIUSA-N 1 2 337.395 3.120 20 5 EGBDLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402594 457536280 /nfs/dbraw/zinc/53/62/80/457536280.db2.gz IVEUQDKMENLJMV-GXFFZTMASA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402594 457536287 /nfs/dbraw/zinc/53/62/87/457536287.db2.gz IVEUQDKMENLJMV-GXFFZTMASA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000158014643 455259316 /nfs/dbraw/zinc/25/93/16/455259316.db2.gz MBELZCITMQFDFO-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cccc(F)c2C1 ZINC000158014643 455259318 /nfs/dbraw/zinc/25/93/18/455259318.db2.gz MBELZCITMQFDFO-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000007788484 453114804 /nfs/dbraw/zinc/11/48/04/453114804.db2.gz SUWSKFVPCGKWNY-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000007788484 453114809 /nfs/dbraw/zinc/11/48/09/453114809.db2.gz SUWSKFVPCGKWNY-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000009314165 453249917 /nfs/dbraw/zinc/24/99/17/453249917.db2.gz JJIOLCNGZASJDJ-AWEZNQCLSA-N 1 2 327.319 3.064 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000010341151 453288453 /nfs/dbraw/zinc/28/84/53/453288453.db2.gz RIAZBLMVHWQCNO-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000010341151 453288460 /nfs/dbraw/zinc/28/84/60/453288460.db2.gz RIAZBLMVHWQCNO-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612345101 460600886 /nfs/dbraw/zinc/60/08/86/460600886.db2.gz AKDVACGILLUOLI-UHFFFAOYSA-N 1 2 328.372 3.233 20 5 EGBDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016564110 453611844 /nfs/dbraw/zinc/61/18/44/453611844.db2.gz KKATWTVAWDYZOD-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016564110 453611850 /nfs/dbraw/zinc/61/18/50/453611850.db2.gz KKATWTVAWDYZOD-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000020544202 453666691 /nfs/dbraw/zinc/66/66/91/453666691.db2.gz MZWSAJZXPHTMJW-UHFFFAOYSA-N 1 2 346.412 3.006 20 5 EGBDLO CSc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346227 453797708 /nfs/dbraw/zinc/79/77/08/453797708.db2.gz AONQLBLNXBFXSH-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO CSc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346227 453797709 /nfs/dbraw/zinc/79/77/09/453797709.db2.gz AONQLBLNXBFXSH-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO CNc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000030608332 453837057 /nfs/dbraw/zinc/83/70/57/453837057.db2.gz HETWQUSTXQHAPO-UHFFFAOYSA-N 1 2 337.339 3.075 20 5 EGBDLO O=C(N[C@@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053475607 453882011 /nfs/dbraw/zinc/88/20/11/453882011.db2.gz RPVKTHIJMFUQFE-MRXNPFEDSA-N 1 2 348.362 3.198 20 5 EGBDLO CCc1cc(NC[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053575710 453889054 /nfs/dbraw/zinc/88/90/54/453889054.db2.gz MLCLHHRPRUNODD-ZDUSSCGKSA-N 1 2 342.399 3.453 20 5 EGBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054175452 453915700 /nfs/dbraw/zinc/91/57/00/453915700.db2.gz GBBQDGPRJDLMTJ-UHFFFAOYSA-N 1 2 341.433 3.145 20 5 EGBDLO CC1CCN(c2ccc(CNc3ncccc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000076827279 454040772 /nfs/dbraw/zinc/04/07/72/454040772.db2.gz XZEBCGLWUOOSRA-UHFFFAOYSA-N 1 2 327.388 3.233 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)n2)c1 ZINC000077171078 454070378 /nfs/dbraw/zinc/07/03/78/454070378.db2.gz OOZRVFHHUDDSPR-OAHLLOKOSA-N 1 2 339.355 3.310 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)n2)c1 ZINC000077171078 454070380 /nfs/dbraw/zinc/07/03/80/454070380.db2.gz OOZRVFHHUDDSPR-OAHLLOKOSA-N 1 2 339.355 3.310 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)c1 ZINC000088723684 454117670 /nfs/dbraw/zinc/11/76/70/454117670.db2.gz AVUUNXWRYYGIBI-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c(Cl)c1 ZINC000182012776 455416384 /nfs/dbraw/zinc/41/63/84/455416384.db2.gz QZPCYBBTPSZTHN-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000119544402 454204190 /nfs/dbraw/zinc/20/41/90/454204190.db2.gz KFVHAKSRTGQPBA-HFBAOOFYSA-N 1 2 340.807 3.017 20 5 EGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000119544402 454204193 /nfs/dbraw/zinc/20/41/93/454204193.db2.gz KFVHAKSRTGQPBA-HFBAOOFYSA-N 1 2 340.807 3.017 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000120838829 454355003 /nfs/dbraw/zinc/35/50/03/454355003.db2.gz CGGGOARYRZYOGS-AWEZNQCLSA-N 1 2 343.387 3.105 20 5 EGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000097143219 454416152 /nfs/dbraw/zinc/41/61/52/454416152.db2.gz VTJFXJBQOBOXSL-CYBMUJFWSA-N 1 2 345.424 3.175 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3cc(F)ccc3C2)c2c(c1)COCO2 ZINC000091898612 454487722 /nfs/dbraw/zinc/48/77/22/454487722.db2.gz FMFWTSPFJGDNNC-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3cc(F)ccc3C2)c2c(c1)COCO2 ZINC000091898612 454487730 /nfs/dbraw/zinc/48/77/30/454487730.db2.gz FMFWTSPFJGDNNC-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO COc1cc(NCCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000080675984 454617693 /nfs/dbraw/zinc/61/76/93/454617693.db2.gz RMHYXWDALVZOBF-UHFFFAOYSA-N 1 2 326.356 3.214 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000154536680 454905464 /nfs/dbraw/zinc/90/54/64/454905464.db2.gz ICEIEIBCTQYUSC-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000155098732 454963368 /nfs/dbraw/zinc/96/33/68/454963368.db2.gz XNAZMENZBCWVPO-UHFFFAOYSA-N 1 2 345.399 3.155 20 5 EGBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000155098732 454963370 /nfs/dbraw/zinc/96/33/70/454963370.db2.gz XNAZMENZBCWVPO-UHFFFAOYSA-N 1 2 345.399 3.155 20 5 EGBDLO Cc1ccnc(Nc2ccc([NH+]3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000115515945 455019112 /nfs/dbraw/zinc/01/91/12/455019112.db2.gz BNFOONBLUDJAGS-UHFFFAOYSA-N 1 2 328.372 3.003 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000173531786 455301986 /nfs/dbraw/zinc/30/19/86/455301986.db2.gz APNYBNQPZAHCOU-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000173531786 455301992 /nfs/dbraw/zinc/30/19/92/455301992.db2.gz APNYBNQPZAHCOU-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000184484064 455388222 /nfs/dbraw/zinc/38/82/22/455388222.db2.gz BCORDDGBABQRIZ-UHFFFAOYSA-N 1 2 343.387 3.230 20 5 EGBDLO Cc1cc(NC[C@H](C)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265879090 455397948 /nfs/dbraw/zinc/39/79/48/455397948.db2.gz XWZPYOAPLIXSKO-YPMHNXCESA-N 1 2 330.388 3.179 20 5 EGBDLO COCC[N@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191112869 455445527 /nfs/dbraw/zinc/44/55/27/455445527.db2.gz NVOQGLSVDGMJIU-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191112869 455445530 /nfs/dbraw/zinc/44/55/30/455445530.db2.gz NVOQGLSVDGMJIU-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO Cc1c(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000160633996 455481963 /nfs/dbraw/zinc/48/19/63/455481963.db2.gz LZDAJYKRAOPHFX-UHFFFAOYSA-N 1 2 336.351 3.270 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000247303452 455585979 /nfs/dbraw/zinc/58/59/79/455585979.db2.gz FXZZOUAVCTUSAI-MRXNPFEDSA-N 1 2 345.374 3.047 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000247303452 455585980 /nfs/dbraw/zinc/58/59/80/455585980.db2.gz FXZZOUAVCTUSAI-MRXNPFEDSA-N 1 2 345.374 3.047 20 5 EGBDLO Cc1csc([C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000249883887 455781484 /nfs/dbraw/zinc/78/14/84/455781484.db2.gz OGBLTOFSYQOFMB-IUODEOHRSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1csc([C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000249883887 455781489 /nfs/dbraw/zinc/78/14/89/455781489.db2.gz OGBLTOFSYQOFMB-IUODEOHRSA-N 1 2 333.413 3.494 20 5 EGBDLO COC(=O)[C@H](c1ccsc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285169240 455799162 /nfs/dbraw/zinc/79/91/62/455799162.db2.gz AZZFRJMATSFYHZ-HNNXBMFYSA-N 1 2 334.397 3.045 20 5 EGBDLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285169240 455799167 /nfs/dbraw/zinc/79/91/67/455799167.db2.gz AZZFRJMATSFYHZ-HNNXBMFYSA-N 1 2 334.397 3.045 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000285312299 455821957 /nfs/dbraw/zinc/82/19/57/455821957.db2.gz IEEANHKXWWNHLT-HNNXBMFYSA-N 1 2 330.388 3.444 20 5 EGBDLO CCOc1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000285312299 455821961 /nfs/dbraw/zinc/82/19/61/455821961.db2.gz IEEANHKXWWNHLT-HNNXBMFYSA-N 1 2 330.388 3.444 20 5 EGBDLO CC(C)CCOC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000194335085 455829025 /nfs/dbraw/zinc/82/90/25/455829025.db2.gz OBMPIEFGVUDXEW-UHFFFAOYSA-N 1 2 349.431 3.060 20 5 EGBDLO Cc1cccc2c1CCN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195244316 455936130 /nfs/dbraw/zinc/93/61/30/455936130.db2.gz DOHCTSKCSXABJD-UHFFFAOYSA-N 1 2 348.362 3.292 20 5 EGBDLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000296512556 455958917 /nfs/dbraw/zinc/95/89/17/455958917.db2.gz PNWLKGHPWLEPDZ-VIFPVBQESA-N 1 2 326.278 3.254 20 5 EGBDLO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2C1 ZINC000272492860 455969703 /nfs/dbraw/zinc/96/97/03/455969703.db2.gz HNCZTXGKKWYSLW-UHFFFAOYSA-N 1 2 341.367 3.278 20 5 EGBDLO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2C1 ZINC000272492860 455969707 /nfs/dbraw/zinc/96/97/07/455969707.db2.gz HNCZTXGKKWYSLW-UHFFFAOYSA-N 1 2 341.367 3.278 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000270828206 456048372 /nfs/dbraw/zinc/04/83/72/456048372.db2.gz CIFVDLVSIPHRIG-CYBMUJFWSA-N 1 2 345.378 3.109 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000270828206 456048377 /nfs/dbraw/zinc/04/83/77/456048377.db2.gz CIFVDLVSIPHRIG-CYBMUJFWSA-N 1 2 345.378 3.109 20 5 EGBDLO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886995 456168205 /nfs/dbraw/zinc/16/82/05/456168205.db2.gz SBUGDJXLRAFDHQ-ZBFHGGJFSA-N 1 2 338.379 3.132 20 5 EGBDLO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886995 456168209 /nfs/dbraw/zinc/16/82/09/456168209.db2.gz SBUGDJXLRAFDHQ-ZBFHGGJFSA-N 1 2 338.379 3.132 20 5 EGBDLO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886993 456169077 /nfs/dbraw/zinc/16/90/77/456169077.db2.gz SBUGDJXLRAFDHQ-HOCLYGCPSA-N 1 2 338.379 3.132 20 5 EGBDLO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886993 456169085 /nfs/dbraw/zinc/16/90/85/456169085.db2.gz SBUGDJXLRAFDHQ-HOCLYGCPSA-N 1 2 338.379 3.132 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c2ccncc21 ZINC000301787260 456213627 /nfs/dbraw/zinc/21/36/27/456213627.db2.gz WTTZLZCXMWTTEO-ZDUSSCGKSA-N 1 2 335.367 3.229 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000302626687 456367024 /nfs/dbraw/zinc/36/70/24/456367024.db2.gz BBQURKNSJOFADT-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC(=O)c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000298269369 456410372 /nfs/dbraw/zinc/41/03/72/456410372.db2.gz HWBIUMXOQZOHQF-UHFFFAOYSA-N 1 2 340.383 3.405 20 5 EGBDLO C[N@H+](CCC(F)(F)F)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000338257769 456736730 /nfs/dbraw/zinc/73/67/30/456736730.db2.gz QUGUDWRFBNPRFH-UHFFFAOYSA-N 1 2 330.266 3.029 20 5 EGBDLO C[N@@H+](CCC(F)(F)F)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000338257769 456736737 /nfs/dbraw/zinc/73/67/37/456736737.db2.gz QUGUDWRFBNPRFH-UHFFFAOYSA-N 1 2 330.266 3.029 20 5 EGBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000339001531 456894286 /nfs/dbraw/zinc/89/42/86/456894286.db2.gz NKJZLNAGOPGDPE-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000339001531 456894288 /nfs/dbraw/zinc/89/42/88/456894288.db2.gz NKJZLNAGOPGDPE-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062841 456922964 /nfs/dbraw/zinc/92/29/64/456922964.db2.gz MQLLTVWVWBHBIQ-AWEZNQCLSA-N 1 2 330.384 3.074 20 5 EGBDLO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062841 456922968 /nfs/dbraw/zinc/92/29/68/456922968.db2.gz MQLLTVWVWBHBIQ-AWEZNQCLSA-N 1 2 330.384 3.074 20 5 EGBDLO CC(C)N(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000339093919 456937780 /nfs/dbraw/zinc/93/77/80/456937780.db2.gz ONULFNMXJNWFNH-UHFFFAOYSA-N 1 2 333.432 3.206 20 5 EGBDLO CC(C)N(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000339093919 456937785 /nfs/dbraw/zinc/93/77/85/456937785.db2.gz ONULFNMXJNWFNH-UHFFFAOYSA-N 1 2 333.432 3.206 20 5 EGBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000345212495 456969027 /nfs/dbraw/zinc/96/90/27/456969027.db2.gz UPTGAQSXQGNMKS-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO CC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000330460179 457046475 /nfs/dbraw/zinc/04/64/75/457046475.db2.gz QUXUMYYEGGNSLV-UHFFFAOYSA-N 1 2 325.796 3.309 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2cc(C)c([N+](=O)[O-])cn2)C3)cc1 ZINC000362949516 457170011 /nfs/dbraw/zinc/17/00/11/457170011.db2.gz PMCYMHSTTRJUHY-UHFFFAOYSA-N 1 2 349.394 3.355 20 5 EGBDLO CC1(C)CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342292668 457218162 /nfs/dbraw/zinc/21/81/62/457218162.db2.gz RAKBWAHJDIFLAT-MRXNPFEDSA-N 1 2 342.399 3.479 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)cc1 ZINC000339808952 457280856 /nfs/dbraw/zinc/28/08/56/457280856.db2.gz ROGGZTSIGVJZLP-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2Cc3cnn(-c4ccccc4)c3C2)cc1 ZINC000339808952 457280859 /nfs/dbraw/zinc/28/08/59/457280859.db2.gz ROGGZTSIGVJZLP-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342511017 457342495 /nfs/dbraw/zinc/34/24/95/457342495.db2.gz VWPUYUGOQRFZBS-KDOFPFPSSA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342511017 457342500 /nfs/dbraw/zinc/34/25/00/457342500.db2.gz VWPUYUGOQRFZBS-KDOFPFPSSA-N 1 2 339.395 3.047 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000360944103 457451454 /nfs/dbraw/zinc/45/14/54/457451454.db2.gz KZHSNGRPXFNANF-GDBMZVCRSA-N 1 2 342.399 3.250 20 5 EGBDLO Nc1c(F)c(NCCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000356190433 457519177 /nfs/dbraw/zinc/51/91/77/457519177.db2.gz KHCZQAVXWXLCSB-UHFFFAOYSA-N 1 2 329.335 3.237 20 5 EGBDLO CC(C)CCOC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444600238 457915709 /nfs/dbraw/zinc/91/57/09/457915709.db2.gz SUNFDQDTFHELSV-UHFFFAOYSA-N 1 2 346.431 3.498 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434618323 458022992 /nfs/dbraw/zinc/02/29/92/458022992.db2.gz WNHOLLNLPRVDHH-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOc2c(F)cccc2C1 ZINC000434618323 458022998 /nfs/dbraw/zinc/02/29/98/458022998.db2.gz WNHOLLNLPRVDHH-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446711729 458216789 /nfs/dbraw/zinc/21/67/89/458216789.db2.gz NLKDQSPLJHDGPO-CQSZACIVSA-N 1 2 345.443 3.038 20 5 EGBDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446711729 458216796 /nfs/dbraw/zinc/21/67/96/458216796.db2.gz NLKDQSPLJHDGPO-CQSZACIVSA-N 1 2 345.443 3.038 20 5 EGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000412702654 458277830 /nfs/dbraw/zinc/27/78/30/458277830.db2.gz WUWXDJQASIOLIH-CYBMUJFWSA-N 1 2 345.424 3.003 20 5 EGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000412702654 458277836 /nfs/dbraw/zinc/27/78/36/458277836.db2.gz WUWXDJQASIOLIH-CYBMUJFWSA-N 1 2 345.424 3.003 20 5 EGBDLO CC1(C)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447810748 458345730 /nfs/dbraw/zinc/34/57/30/458345730.db2.gz AWNYJJPTAUVNQY-UHFFFAOYSA-N 1 2 347.459 3.444 20 5 EGBDLO CC[C@]1(C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817830 458347169 /nfs/dbraw/zinc/34/71/69/458347169.db2.gz QBPSQHHNQGQCFB-GOSISDBHSA-N 1 2 333.432 3.053 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000430224602 458424388 /nfs/dbraw/zinc/42/43/88/458424388.db2.gz ZZLUJRJUQKFJGH-SFHVURJKSA-N 1 2 328.368 3.177 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000430224602 458424391 /nfs/dbraw/zinc/42/43/91/458424391.db2.gz ZZLUJRJUQKFJGH-SFHVURJKSA-N 1 2 328.368 3.177 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000430225856 458424725 /nfs/dbraw/zinc/42/47/25/458424725.db2.gz ZFENBNONFTZRGY-HNNXBMFYSA-N 1 2 346.387 3.351 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000430231701 458425546 /nfs/dbraw/zinc/42/55/46/458425546.db2.gz ZCHXCGVJJBBKHI-QGZVFWFLSA-N 1 2 346.383 3.378 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000430231701 458425551 /nfs/dbraw/zinc/42/55/51/458425551.db2.gz ZCHXCGVJJBBKHI-QGZVFWFLSA-N 1 2 346.383 3.378 20 5 EGBDLO O=[N+]([O-])c1cc(CNc2ccc(-c3cncnc3)c[nH+]2)ccc1Cl ZINC000377114719 458466488 /nfs/dbraw/zinc/46/64/88/458466488.db2.gz QVEPXWFCGMDPAY-UHFFFAOYSA-N 1 2 341.758 3.134 20 5 EGBDLO CO[C@@H]1CCCC[C@@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462914168 458665725 /nfs/dbraw/zinc/66/57/25/458665725.db2.gz PLGOTTKKHBBBFR-JKSUJKDBSA-N 1 2 342.399 3.152 20 5 EGBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1[N+](=O)[O-] ZINC000533226314 459203546 /nfs/dbraw/zinc/20/35/46/459203546.db2.gz BATUNFLPNONKPG-UHFFFAOYSA-N 1 2 340.343 3.084 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000533300508 459216702 /nfs/dbraw/zinc/21/67/02/459216702.db2.gz ANCMHKYHIUBDIR-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000533300508 459216707 /nfs/dbraw/zinc/21/67/07/459216707.db2.gz ANCMHKYHIUBDIR-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nn(C)c2ccccc12 ZINC000595031027 459222005 /nfs/dbraw/zinc/22/20/05/459222005.db2.gz CPFHXSRCTPUKSI-LBPRGKRZSA-N 1 2 340.383 3.341 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000595323063 459275950 /nfs/dbraw/zinc/27/59/50/459275950.db2.gz WLOWYLWQHMMQEL-GFCCVEGCSA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000595323063 459275955 /nfs/dbraw/zinc/27/59/55/459275955.db2.gz WLOWYLWQHMMQEL-GFCCVEGCSA-N 1 2 336.285 3.277 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000523439320 459301412 /nfs/dbraw/zinc/30/14/12/459301412.db2.gz SWGOEPDXBJUBOI-CYBMUJFWSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000523439320 459301416 /nfs/dbraw/zinc/30/14/16/459301416.db2.gz SWGOEPDXBJUBOI-CYBMUJFWSA-N 1 2 348.321 3.147 20 5 EGBDLO CCCC[C@H](COC)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000524053247 459343912 /nfs/dbraw/zinc/34/39/12/459343912.db2.gz ZTGGPWUXZNZPFK-OAHLLOKOSA-N 1 2 344.415 3.399 20 5 EGBDLO COC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595685337 459395947 /nfs/dbraw/zinc/39/59/47/459395947.db2.gz VVOXALPGWLPSNB-INIZCTEOSA-N 1 2 334.347 3.220 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915713 459529093 /nfs/dbraw/zinc/52/90/93/459529093.db2.gz QHARYUZTWZLHJB-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915713 459529097 /nfs/dbraw/zinc/52/90/97/459529097.db2.gz QHARYUZTWZLHJB-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000542630686 459575789 /nfs/dbraw/zinc/57/57/89/459575789.db2.gz JFHVOUVQXUQURY-LJQANCHMSA-N 1 2 326.396 3.428 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000542630686 459575795 /nfs/dbraw/zinc/57/57/95/459575795.db2.gz JFHVOUVQXUQURY-LJQANCHMSA-N 1 2 326.396 3.428 20 5 EGBDLO CCn1cc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)C)cn1 ZINC000593081338 459766875 /nfs/dbraw/zinc/76/68/75/459766875.db2.gz QWPMSONMKAHYHC-UHFFFAOYSA-N 1 2 342.403 3.098 20 5 EGBDLO CCn1cc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)C)cn1 ZINC000593081338 459766879 /nfs/dbraw/zinc/76/68/79/459766879.db2.gz QWPMSONMKAHYHC-UHFFFAOYSA-N 1 2 342.403 3.098 20 5 EGBDLO O=C(C[N@@H+]1CC[C@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609539915 459977654 /nfs/dbraw/zinc/97/76/54/459977654.db2.gz IEELXZLNKIWDQX-NSHDSACASA-N 1 2 349.774 3.269 20 5 EGBDLO O=C(C[N@H+]1CC[C@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609539915 459977659 /nfs/dbraw/zinc/97/76/59/459977659.db2.gz IEELXZLNKIWDQX-NSHDSACASA-N 1 2 349.774 3.269 20 5 EGBDLO Cc1noc(C)c1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602522843 459980940 /nfs/dbraw/zinc/98/09/40/459980940.db2.gz YLHRPFAQETUDEH-UHFFFAOYSA-N 1 2 346.206 3.313 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000602678843 460062050 /nfs/dbraw/zinc/06/20/50/460062050.db2.gz OOLKZSBEXDJRRW-OAHLLOKOSA-N 1 2 341.371 3.053 20 5 EGBDLO CN(C(=O)C[N@@H+]1CC[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610505814 460168214 /nfs/dbraw/zinc/16/82/14/460168214.db2.gz XRCUZFFKWHHQGP-KRWDZBQOSA-N 1 2 343.358 3.144 20 5 EGBDLO CN(C(=O)C[N@H+]1CC[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610505814 460168221 /nfs/dbraw/zinc/16/82/21/460168221.db2.gz XRCUZFFKWHHQGP-KRWDZBQOSA-N 1 2 343.358 3.144 20 5 EGBDLO CC(C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000610662816 460208463 /nfs/dbraw/zinc/20/84/63/460208463.db2.gz YVJGYXXCYRJKAH-UHFFFAOYSA-N 1 2 331.347 3.241 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)nc2c1 ZINC000610847136 460247208 /nfs/dbraw/zinc/24/72/08/460247208.db2.gz MYEIUAUJIGUPDT-UHFFFAOYSA-N 1 2 349.350 3.212 20 5 EGBDLO CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187458955 529341229 /nfs/dbraw/zinc/34/12/29/529341229.db2.gz ROBMVJYYAJSHAC-OCCSQVGLSA-N 1 2 328.372 3.041 20 5 EGBDLO CCc1nn(C)c(NCCC[N@@H+](CC)c2ccccc2)c1[N+](=O)[O-] ZINC000354564197 536180898 /nfs/dbraw/zinc/18/08/98/536180898.db2.gz KDQUYFYXEMOIBK-UHFFFAOYSA-N 1 2 331.420 3.219 20 5 EGBDLO CCc1nn(C)c(NCCC[N@H+](CC)c2ccccc2)c1[N+](=O)[O-] ZINC000354564197 536180899 /nfs/dbraw/zinc/18/08/99/536180899.db2.gz KDQUYFYXEMOIBK-UHFFFAOYSA-N 1 2 331.420 3.219 20 5 EGBDLO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000730938303 575037801 /nfs/dbraw/zinc/03/78/01/575037801.db2.gz ZIDJVBLHIFNWRO-HNNXBMFYSA-N 1 2 343.431 3.462 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000742944868 576798032 /nfs/dbraw/zinc/79/80/32/576798032.db2.gz FCSVSWYPUWOBIU-UHFFFAOYSA-N 1 2 340.339 3.051 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000121790253 1293390275 /nfs/dbraw/zinc/39/02/75/1293390275.db2.gz LVPDBVVYDHRQSS-QGZVFWFLSA-N 1 2 328.368 3.331 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000121790253 1293390281 /nfs/dbraw/zinc/39/02/81/1293390281.db2.gz LVPDBVVYDHRQSS-QGZVFWFLSA-N 1 2 328.368 3.331 20 5 EGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc[nH+]1 ZINC000132346787 1293716527 /nfs/dbraw/zinc/71/65/27/1293716527.db2.gz JSYZZARJGDAMCA-UHFFFAOYSA-N 1 2 330.300 3.076 20 5 EGBDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000193340438 1295853983 /nfs/dbraw/zinc/85/39/83/1295853983.db2.gz FSFLTHNEIIUMJX-UHFFFAOYSA-N 1 2 335.404 3.038 20 5 EGBDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000193340438 1295853993 /nfs/dbraw/zinc/85/39/93/1295853993.db2.gz FSFLTHNEIIUMJX-UHFFFAOYSA-N 1 2 335.404 3.038 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N[C@H]3CCN(c4cccc[nH+]4)C3)sc2c1 ZINC000753820061 1300025397 /nfs/dbraw/zinc/02/53/97/1300025397.db2.gz JEQIHQGOYDWJHT-NSHDSACASA-N 1 2 341.396 3.290 20 5 EGBDLO C[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000761600881 1301507954 /nfs/dbraw/zinc/50/79/54/1301507954.db2.gz VWDXPPMQLBBMEN-XJKSGUPXSA-N 1 2 344.415 3.126 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000761688471 1301523209 /nfs/dbraw/zinc/52/32/09/1301523209.db2.gz LVHNXRMXBGDRMO-GFCCVEGCSA-N 1 2 343.383 3.035 20 5 EGBDLO C[NH+](C)c1ccc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774311421 1303796717 /nfs/dbraw/zinc/79/67/17/1303796717.db2.gz FCDCMCCYUDFSLJ-CVEARBPZSA-N 1 2 329.404 3.453 20 5 EGBDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000776587146 1304176660 /nfs/dbraw/zinc/17/66/60/1304176660.db2.gz USYGSHBBRAQKPS-DQYPLSBCSA-N 1 2 348.424 3.152 20 5 EGBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000776587146 1304176664 /nfs/dbraw/zinc/17/66/64/1304176664.db2.gz USYGSHBBRAQKPS-DQYPLSBCSA-N 1 2 348.424 3.152 20 5 EGBDLO C[C@@H](CC(=O)N1CCCCc2cc([N+](=O)[O-])ccc21)n1cc[nH+]c1 ZINC000892855820 1305580741 /nfs/dbraw/zinc/58/07/41/1305580741.db2.gz WBUWVVYSQLRFCM-ZDUSSCGKSA-N 1 2 328.372 3.112 20 5 EGBDLO CC[C@@](C)([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1nccs1 ZINC000892992670 1305644265 /nfs/dbraw/zinc/64/42/65/1305644265.db2.gz WNLQDCYCKNPNFB-OAHLLOKOSA-N 1 2 337.401 3.181 20 5 EGBDLO CCOc1cccc(N2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000895355296 1309297951 /nfs/dbraw/zinc/29/79/51/1309297951.db2.gz WYTWZECIBNHRSR-UHFFFAOYSA-N 1 2 342.399 3.469 20 5 EGBDLO O=C(OC[C@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000806047286 1317453976 /nfs/dbraw/zinc/45/39/76/1317453976.db2.gz ZCDYYLLCFSLNIP-GFCCVEGCSA-N 1 2 347.396 3.081 20 5 EGBDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000816634677 1319196695 /nfs/dbraw/zinc/19/66/95/1319196695.db2.gz PPURUOOAOGMYHA-MRXNPFEDSA-N 1 2 338.379 3.051 20 5 EGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@](C)(O)c1ccccc1 ZINC000823606051 1320191867 /nfs/dbraw/zinc/19/18/67/1320191867.db2.gz QCEBPVJUTBSRBO-KRWDZBQOSA-N 1 2 336.338 3.213 20 5 EGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@](C)(O)c1ccccc1 ZINC000823606051 1320191869 /nfs/dbraw/zinc/19/18/69/1320191869.db2.gz QCEBPVJUTBSRBO-KRWDZBQOSA-N 1 2 336.338 3.213 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000842045630 1321339573 /nfs/dbraw/zinc/33/95/73/1321339573.db2.gz XOVLVZROGAYQBC-AOOOYVTPSA-N 1 2 347.198 3.144 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000842045630 1321339577 /nfs/dbraw/zinc/33/95/77/1321339577.db2.gz XOVLVZROGAYQBC-AOOOYVTPSA-N 1 2 347.198 3.144 20 5 EGBDLO CC[C@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000842159478 1321356136 /nfs/dbraw/zinc/35/61/36/1321356136.db2.gz QJEXDWMZQSZXFY-SNVBAGLBSA-N 1 2 343.221 3.140 20 5 EGBDLO CC[C@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000842159478 1321356139 /nfs/dbraw/zinc/35/61/39/1321356139.db2.gz QJEXDWMZQSZXFY-SNVBAGLBSA-N 1 2 343.221 3.140 20 5 EGBDLO Cc1nn(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000842646871 1321413254 /nfs/dbraw/zinc/41/32/54/1321413254.db2.gz VGVFKBBQMODOGE-ZDUSSCGKSA-N 1 2 344.415 3.244 20 5 EGBDLO Cc1nn(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000842646871 1321413257 /nfs/dbraw/zinc/41/32/57/1321413257.db2.gz VGVFKBBQMODOGE-ZDUSSCGKSA-N 1 2 344.415 3.244 20 5 EGBDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497867 1325105637 /nfs/dbraw/zinc/10/56/37/1325105637.db2.gz HOOBRJAULUHSCR-AWEZNQCLSA-N 1 2 349.394 3.258 20 5 EGBDLO C[C@H]1Cc2ccccc2C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497867 1325105646 /nfs/dbraw/zinc/10/56/46/1325105646.db2.gz HOOBRJAULUHSCR-AWEZNQCLSA-N 1 2 349.394 3.258 20 5 EGBDLO CCn1cnc2c1CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C2 ZINC000933259437 1329875871 /nfs/dbraw/zinc/87/58/71/1329875871.db2.gz ODQLQEXKHXVRQK-UHFFFAOYSA-N 1 2 344.415 3.157 20 5 EGBDLO CCn1cnc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C2 ZINC000933259437 1329875872 /nfs/dbraw/zinc/87/58/72/1329875872.db2.gz ODQLQEXKHXVRQK-UHFFFAOYSA-N 1 2 344.415 3.157 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3cccc([N+](=O)[O-])c3F)c[nH+]2)C[C@H](C)O1 ZINC001210378982 1372337640 /nfs/dbraw/zinc/33/76/40/1372337640.db2.gz PPOIAHFHKIJOLK-TXEJJXNPSA-N 1 2 346.362 3.486 20 5 EGBDLO CCOC(=O)c1cc(Nc2ccc(N(C)CC)[nH+]c2)cc([N+](=O)[O-])c1 ZINC001211370054 1372542510 /nfs/dbraw/zinc/54/25/10/1372542510.db2.gz TWCVQYWIVGSKHA-UHFFFAOYSA-N 1 2 344.371 3.366 20 5 EGBDLO O=c1oc2cc(O[C@H]3CC[NH2+]CC3(F)F)ccc2c2ccccc12 ZINC001218005769 1373533982 /nfs/dbraw/zinc/53/39/82/1373533982.db2.gz GODSSERHXFKKKJ-INIZCTEOSA-N 1 2 331.318 3.322 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001225624552 1375134204 /nfs/dbraw/zinc/13/42/04/1375134204.db2.gz ZPMRJEUTMLUWLC-UHFFFAOYSA-N 1 2 328.368 3.344 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001327014040 1388364797 /nfs/dbraw/zinc/36/47/97/1388364797.db2.gz WXPCZWQRAUANFX-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001327014040 1388364793 /nfs/dbraw/zinc/36/47/93/1388364793.db2.gz WXPCZWQRAUANFX-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO CC(C)(C)[NH+]1CC(Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228937665 1375722354 /nfs/dbraw/zinc/72/23/54/1375722354.db2.gz BYPCCOPLTDGDKO-UHFFFAOYSA-N 1 2 347.184 3.358 20 5 EGBDLO CC(C)[NH+]1CC(Oc2ccc3c(c2)oc(=O)c2cc(O)ccc32)C1 ZINC001229797391 1375894222 /nfs/dbraw/zinc/89/42/22/1375894222.db2.gz AEMBXAVROZMWMY-UHFFFAOYSA-N 1 2 325.364 3.123 20 5 EGBDLO CC(C)(C)[NH+]1CC(Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234361639 1376819150 /nfs/dbraw/zinc/81/91/50/1376819150.db2.gz FHECVYODZYHYQL-UHFFFAOYSA-N 1 2 333.432 3.447 20 5 EGBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1c2ccccc2cc2ccccc21 ZINC001153499431 1380085747 /nfs/dbraw/zinc/08/57/47/1380085747.db2.gz NWYUWPQBQONNCL-QGZVFWFLSA-N 1 2 334.419 3.053 20 5 EGBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1c2ccccc2cc2ccccc21 ZINC001153499431 1380085749 /nfs/dbraw/zinc/08/57/49/1380085749.db2.gz NWYUWPQBQONNCL-QGZVFWFLSA-N 1 2 334.419 3.053 20 5 EGBDLO C[N@@H+]1CCO[C@H](CNc2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001155195631 1380422898 /nfs/dbraw/zinc/42/28/98/1380422898.db2.gz BBPOTILXYKNMBQ-CQSZACIVSA-N 1 2 342.830 3.179 20 5 EGBDLO C[N@H+]1CCO[C@H](CNc2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001155195631 1380422900 /nfs/dbraw/zinc/42/29/00/1380422900.db2.gz BBPOTILXYKNMBQ-CQSZACIVSA-N 1 2 342.830 3.179 20 5 EGBDLO C[C@@H]1C[N@H+](C2CN(c3ccc4ccc5cccnc5c4n3)C2)C[C@H](C)O1 ZINC001158719694 1381365012 /nfs/dbraw/zinc/36/50/12/1381365012.db2.gz SANIVOQRNNPBRG-GASCZTMLSA-N 1 2 348.450 3.081 20 5 EGBDLO C[C@@H]1C[N@@H+](C2CN(c3ccc4ccc5cccnc5c4n3)C2)C[C@H](C)O1 ZINC001158719694 1381365014 /nfs/dbraw/zinc/36/50/14/1381365014.db2.gz SANIVOQRNNPBRG-GASCZTMLSA-N 1 2 348.450 3.081 20 5 EGBDLO CNC(=O)c1cc(Nc2ccc3[nH+]c4ccccc4cc3c2)ccn1 ZINC001175413923 1385279527 /nfs/dbraw/zinc/27/95/27/1385279527.db2.gz VBAZWTAXCLGAPL-UHFFFAOYSA-N 1 2 328.375 3.308 20 5 EGBDLO COCC1=CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001333360803 1390289382 /nfs/dbraw/zinc/28/93/82/1390289382.db2.gz NIKNPQZVCGRHHQ-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO COCC1=CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001333360803 1390289389 /nfs/dbraw/zinc/28/93/89/1390289389.db2.gz NIKNPQZVCGRHHQ-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3nsnc31)CC2 ZINC001340541699 1390309515 /nfs/dbraw/zinc/30/95/15/1390309515.db2.gz QNHSUNJXXBRAFC-UHFFFAOYSA-N 1 2 326.381 3.158 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3nsnc31)CC2 ZINC001340541699 1390309518 /nfs/dbraw/zinc/30/95/18/1390309518.db2.gz QNHSUNJXXBRAFC-UHFFFAOYSA-N 1 2 326.381 3.158 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(O)c1 ZINC000057675580 201140582 /nfs/dbraw/zinc/14/05/82/201140582.db2.gz IGZHWSHYHMPDJC-UHFFFAOYSA-N 1 2 338.323 3.047 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000021901571 212260993 /nfs/dbraw/zinc/26/09/93/212260993.db2.gz OBDPRMWWZNRCAR-HNNXBMFYSA-N 1 2 327.319 3.064 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000264237642 246224510 /nfs/dbraw/zinc/22/45/10/246224510.db2.gz DWKWGPICVAXMSI-UHFFFAOYSA-N 1 2 340.383 3.239 20 5 EGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000174476894 207022347 /nfs/dbraw/zinc/02/23/47/207022347.db2.gz SWAZBADMHRFDPM-AWEZNQCLSA-N 1 2 334.372 3.236 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000353452248 141299769 /nfs/dbraw/zinc/29/97/69/141299769.db2.gz ZGLPAODPUYKSIE-QGZVFWFLSA-N 1 2 340.358 3.347 20 5 EGBDLO Cc1ccc2[nH+]c(CNc3ncnc4sc([N+](=O)[O-])cc43)cn2c1 ZINC000341585894 155368588 /nfs/dbraw/zinc/36/85/88/155368588.db2.gz HJKJMYJIFJSKLU-UHFFFAOYSA-N 1 2 340.368 3.168 20 5 EGBDLO CCC(CC)(CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303866325 154059694 /nfs/dbraw/zinc/05/96/94/154059694.db2.gz HWLBJDWIRFWDPD-UHFFFAOYSA-N 1 2 330.388 3.479 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c2c(c1)COCO2 ZINC000347018876 156251065 /nfs/dbraw/zinc/25/10/65/156251065.db2.gz ZEDTXCLVCXDXDT-QGZVFWFLSA-N 1 2 341.367 3.193 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c2c(c1)COCO2 ZINC000347018876 156251069 /nfs/dbraw/zinc/25/10/69/156251069.db2.gz ZEDTXCLVCXDXDT-QGZVFWFLSA-N 1 2 341.367 3.193 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000338640228 163300667 /nfs/dbraw/zinc/30/06/67/163300667.db2.gz STROCEGZMBDCIB-UHFFFAOYSA-N 1 2 326.356 3.374 20 5 EGBDLO CC(C)c1nc(N(C)C)nc(N[C@H](C)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000179273609 265369359 /nfs/dbraw/zinc/36/93/59/265369359.db2.gz UKOYZGJTSAZEFH-LLVKDONJSA-N 1 2 330.392 3.142 20 5 EGBDLO CC(C)c1nc(N[C@H](C)c2cccc([N+](=O)[O-])c2)nc(N(C)C)[nH+]1 ZINC000179273609 265369361 /nfs/dbraw/zinc/36/93/61/265369361.db2.gz UKOYZGJTSAZEFH-LLVKDONJSA-N 1 2 330.392 3.142 20 5 EGBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269666769 266337012 /nfs/dbraw/zinc/33/70/12/266337012.db2.gz VXUAHSCBBMJSDQ-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO O=C(Nc1ccccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031810524 275122765 /nfs/dbraw/zinc/12/27/65/275122765.db2.gz LJUJMQYALHRPKS-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO Cc1cc(N[C@@H]2CCC[C@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275048928 275251458 /nfs/dbraw/zinc/25/14/58/275251458.db2.gz SIUFYUVSBFQPME-XJKSGUPXSA-N 1 2 342.399 3.323 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000281825065 275580011 /nfs/dbraw/zinc/58/00/11/275580011.db2.gz OOSUPYPJIQFFLL-OAHLLOKOSA-N 1 2 346.362 3.318 20 5 EGBDLO COCc1nc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000289585627 276361938 /nfs/dbraw/zinc/36/19/38/276361938.db2.gz BSYHGGOXBHQDMF-OAHLLOKOSA-N 1 2 333.413 3.365 20 5 EGBDLO CCc1nc(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000291695268 276678006 /nfs/dbraw/zinc/67/80/06/276678006.db2.gz JMWJZOJGCJPBGX-UHFFFAOYSA-N 1 2 341.314 3.345 20 5 EGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000055409066 307340339 /nfs/dbraw/zinc/34/03/39/307340339.db2.gz JORDCFCYYVDSHN-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066845921 307363296 /nfs/dbraw/zinc/36/32/96/307363296.db2.gz MWRIGDIQERCEOG-SFHVURJKSA-N 1 2 330.359 3.350 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066845921 307363297 /nfs/dbraw/zinc/36/32/97/307363297.db2.gz MWRIGDIQERCEOG-SFHVURJKSA-N 1 2 330.359 3.350 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncc(CSC)s1 ZINC000293431551 308130268 /nfs/dbraw/zinc/13/02/68/308130268.db2.gz BDFCVKXVATVDNY-UHFFFAOYSA-N 1 2 339.442 3.213 20 5 EGBDLO CC(C)[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000293963133 308178343 /nfs/dbraw/zinc/17/83/43/308178343.db2.gz PUPJCFWMSNJYCA-INIZCTEOSA-N 1 2 342.399 3.287 20 5 EGBDLO Cc1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296183147 308401941 /nfs/dbraw/zinc/40/19/41/308401941.db2.gz MBYCPNHMTCLRSX-AWEZNQCLSA-N 1 2 343.387 3.252 20 5 EGBDLO Cc1nc(C2([NH2+]CCOc3ccccc3[N+](=O)[O-])CCCCC2)no1 ZINC000299276124 308668407 /nfs/dbraw/zinc/66/84/07/308668407.db2.gz RFSVNIYKIGRMCB-UHFFFAOYSA-N 1 2 346.387 3.114 20 5 EGBDLO CCc1cc(N[C@H]2C[C@@H](O)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302397793 308736778 /nfs/dbraw/zinc/73/67/78/308736778.db2.gz JLDVAUKRAXGRRJ-LSDHHAIUSA-N 1 2 342.399 3.186 20 5 EGBDLO CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413146447 309018200 /nfs/dbraw/zinc/01/82/00/309018200.db2.gz TZUWNSKVTXYVRO-ZIAGYGMSSA-N 1 2 342.399 3.202 20 5 EGBDLO CCO[C@H]1C[C@@](O)(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000413267670 309024250 /nfs/dbraw/zinc/02/42/50/309024250.db2.gz QTZZHXZCHNYASP-MAUKXSAKSA-N 1 2 345.399 3.121 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413270140 309024323 /nfs/dbraw/zinc/02/43/23/309024323.db2.gz UJFSEONNUWJKNC-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000413313276 309026246 /nfs/dbraw/zinc/02/62/46/309026246.db2.gz KWWFPZHSCQUTKU-AWEZNQCLSA-N 1 2 339.399 3.343 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000413313276 309026247 /nfs/dbraw/zinc/02/62/47/309026247.db2.gz KWWFPZHSCQUTKU-AWEZNQCLSA-N 1 2 339.399 3.343 20 5 EGBDLO Cc1cc(NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc[nH+]1 ZINC000455041432 310341783 /nfs/dbraw/zinc/34/17/83/310341783.db2.gz NWPXOTCWGWMHJH-HNNXBMFYSA-N 1 2 340.383 3.132 20 5 EGBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC000420959246 309304304 /nfs/dbraw/zinc/30/43/04/309304304.db2.gz QDCWIVSTIONNDH-KFWWJZLASA-N 1 2 349.431 3.120 20 5 EGBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC000420959246 309304305 /nfs/dbraw/zinc/30/43/05/309304305.db2.gz QDCWIVSTIONNDH-KFWWJZLASA-N 1 2 349.431 3.120 20 5 EGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cc[nH+]c2C)cc1OC ZINC000425583444 309486822 /nfs/dbraw/zinc/48/68/22/309486822.db2.gz AAGTWLUQWNWLHK-UHFFFAOYSA-N 1 2 345.355 3.266 20 5 EGBDLO CC[C@@](C)([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000440698770 309854781 /nfs/dbraw/zinc/85/47/81/309854781.db2.gz QWGNNBMCXOCDIE-MRXNPFEDSA-N 1 2 348.428 3.213 20 5 EGBDLO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(C)noc1C ZINC000444667503 309925050 /nfs/dbraw/zinc/92/50/50/309925050.db2.gz AEOHVBILTBJZRA-LBPRGKRZSA-N 1 2 329.360 3.317 20 5 EGBDLO C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448940247 310024998 /nfs/dbraw/zinc/02/49/98/310024998.db2.gz ZZBFYIKNZXEVII-MQMHXKEQSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000450682283 310136938 /nfs/dbraw/zinc/13/69/38/310136938.db2.gz DSJWTZDKNBRVQU-SNVBAGLBSA-N 1 2 328.294 3.204 20 5 EGBDLO C[C@H](CCC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450685314 310137041 /nfs/dbraw/zinc/13/70/41/310137041.db2.gz BAPLEZGLRFXUEH-GFCCVEGCSA-N 1 2 328.372 3.089 20 5 EGBDLO O=C(NCC1=CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452292705 310221786 /nfs/dbraw/zinc/22/17/86/310221786.db2.gz RKOQSRTWMGFXFQ-UHFFFAOYSA-N 1 2 326.356 3.011 20 5 EGBDLO CC(C)(C(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000452329842 310223528 /nfs/dbraw/zinc/22/35/28/310223528.db2.gz DABFKZDXHNHPIP-UHFFFAOYSA-N 1 2 328.372 3.044 20 5 EGBDLO COC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000475148098 310807486 /nfs/dbraw/zinc/80/74/86/310807486.db2.gz XMTWAMHEUCHMIW-INIZCTEOSA-N 1 2 346.408 3.365 20 5 EGBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491861846 311193401 /nfs/dbraw/zinc/19/34/01/311193401.db2.gz AHIRJOLCASHFPL-CMDGGOBGSA-N 1 2 348.362 3.110 20 5 EGBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000492364035 311242231 /nfs/dbraw/zinc/24/22/31/311242231.db2.gz CKCLDXSICLTABE-BQYQJAHWSA-N 1 2 348.362 3.315 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccn1C ZINC000494436809 311478061 /nfs/dbraw/zinc/47/80/61/311478061.db2.gz RBVFVHZUCGHUDQ-SECBINFHSA-N 1 2 328.294 3.198 20 5 EGBDLO Cc1[nH+]c2cc(CNc3ccc([N+](=O)[O-])c(C)n3)ccc2n1C1CC1 ZINC000515499411 312285808 /nfs/dbraw/zinc/28/58/08/312285808.db2.gz NDCFTWWITNAHOM-UHFFFAOYSA-N 1 2 337.383 3.325 20 5 EGBDLO Cc1cc(NC[C@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000540027120 314358430 /nfs/dbraw/zinc/35/84/30/314358430.db2.gz DGLPBXZIQABQLF-KBPBESRZSA-N 1 2 342.399 3.009 20 5 EGBDLO CCc1nn(C)c(Nc2ccc(NC3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000558006344 315545353 /nfs/dbraw/zinc/54/53/53/315545353.db2.gz LWBFOWDIYVQFMA-UHFFFAOYSA-N 1 2 330.392 3.384 20 5 EGBDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000016637009 323213212 /nfs/dbraw/zinc/21/32/12/323213212.db2.gz NFWQGJARXOSYRT-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000016637009 323213214 /nfs/dbraw/zinc/21/32/14/323213214.db2.gz NFWQGJARXOSYRT-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO COc1cc(CCNc2cc[nH+]c(C(C)C)n2)c([N+](=O)[O-])cc1OC ZINC000171812910 323253246 /nfs/dbraw/zinc/25/32/46/323253246.db2.gz NEVRBCOUFWXEMK-UHFFFAOYSA-N 1 2 346.387 3.180 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(CCC3CC3)no2)cc1-n1cc[nH+]c1 ZINC000351085627 324166748 /nfs/dbraw/zinc/16/67/48/324166748.db2.gz DGDUUCBVQYVILH-UHFFFAOYSA-N 1 2 325.328 3.173 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)c1c(F)cccc1F ZINC000579971309 325185846 /nfs/dbraw/zinc/18/58/46/325185846.db2.gz AIVRBBJBALBYJW-LSDHHAIUSA-N 1 2 334.322 3.184 20 5 EGBDLO CC(C)Oc1nc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000581677474 325382333 /nfs/dbraw/zinc/38/23/33/325382333.db2.gz BUQZVHPZEBGPMU-GFCCVEGCSA-N 1 2 331.376 3.232 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157945612 455251281 /nfs/dbraw/zinc/25/12/81/455251281.db2.gz JWHICLBRLFYJQU-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cccc(F)c2C1 ZINC000157945612 455251284 /nfs/dbraw/zinc/25/12/84/455251284.db2.gz JWHICLBRLFYJQU-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[N@H+](Cc1ccccc1F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012976905 453431828 /nfs/dbraw/zinc/43/18/28/453431828.db2.gz NOUHKEKQEFAVIP-UHFFFAOYSA-N 1 2 332.331 3.232 20 5 EGBDLO C[N@@H+](Cc1ccccc1F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012976905 453431841 /nfs/dbraw/zinc/43/18/41/453431841.db2.gz NOUHKEKQEFAVIP-UHFFFAOYSA-N 1 2 332.331 3.232 20 5 EGBDLO COC(=O)c1cc(-c2ccc(N(C)C(C)C)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000600789802 460605295 /nfs/dbraw/zinc/60/52/95/460605295.db2.gz VUAVDQJDNXGIAR-UHFFFAOYSA-N 1 2 329.356 3.288 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000016586855 453613180 /nfs/dbraw/zinc/61/31/80/453613180.db2.gz ZSYMXNZIRMLZTF-UHFFFAOYSA-N 1 2 349.412 3.126 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000016586855 453613183 /nfs/dbraw/zinc/61/31/83/453613183.db2.gz ZSYMXNZIRMLZTF-UHFFFAOYSA-N 1 2 349.412 3.126 20 5 EGBDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025409826 453769604 /nfs/dbraw/zinc/76/96/04/453769604.db2.gz ABIOLMAFKDWKEE-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025409826 453769608 /nfs/dbraw/zinc/76/96/08/453769608.db2.gz ABIOLMAFKDWKEE-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])s2)[NH+]2CCOCC2)c1 ZINC000066410773 453842714 /nfs/dbraw/zinc/84/27/14/453842714.db2.gz JDIAYARTEYXMNU-HNNXBMFYSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066564923 453851888 /nfs/dbraw/zinc/85/18/88/453851888.db2.gz SJMQEDCTIGHLGZ-LBPRGKRZSA-N 1 2 348.428 3.127 20 5 EGBDLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066564923 453851891 /nfs/dbraw/zinc/85/18/91/453851891.db2.gz SJMQEDCTIGHLGZ-LBPRGKRZSA-N 1 2 348.428 3.127 20 5 EGBDLO O=C(NCCCC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032159618 453864903 /nfs/dbraw/zinc/86/49/03/453864903.db2.gz BOANAQGACOPDFP-UHFFFAOYSA-N 1 2 342.399 3.481 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000066845912 453879021 /nfs/dbraw/zinc/87/90/21/453879021.db2.gz NXNPSIBQCBTSDD-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000066845912 453879024 /nfs/dbraw/zinc/87/90/24/453879024.db2.gz NXNPSIBQCBTSDD-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000075650120 453914870 /nfs/dbraw/zinc/91/48/70/453914870.db2.gz VRIDYVYEEKOEBG-HNNXBMFYSA-N 1 2 345.443 3.380 20 5 EGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000083417031 453948658 /nfs/dbraw/zinc/94/86/58/453948658.db2.gz OITDHDDEEDGGMC-UHFFFAOYSA-N 1 2 343.836 3.014 20 5 EGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000083417031 453948662 /nfs/dbraw/zinc/94/86/62/453948662.db2.gz OITDHDDEEDGGMC-UHFFFAOYSA-N 1 2 343.836 3.014 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCCn1cc[nH+]c1 ZINC000085635532 454035616 /nfs/dbraw/zinc/03/56/16/454035616.db2.gz GROOXTSZIRIAOO-UHFFFAOYSA-N 1 2 331.376 3.010 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438055 454100711 /nfs/dbraw/zinc/10/07/11/454100711.db2.gz JYHOKYFZDFOLJM-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438055 454100712 /nfs/dbraw/zinc/10/07/12/454100712.db2.gz JYHOKYFZDFOLJM-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cn3cc(Br)ccc3[nH+]2)cn1 ZINC000077525714 454117586 /nfs/dbraw/zinc/11/75/86/454117586.db2.gz CIKLZXACTHDRBW-UHFFFAOYSA-N 1 2 348.160 3.012 20 5 EGBDLO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000070444846 454168829 /nfs/dbraw/zinc/16/88/29/454168829.db2.gz XDSLYEUAQXYMMC-QMMMGPOBSA-N 1 2 325.166 3.264 20 5 EGBDLO C[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078004981 454176639 /nfs/dbraw/zinc/17/66/39/454176639.db2.gz YOLKLMZQCUAHLM-QWHCGFSZSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000089910231 454232413 /nfs/dbraw/zinc/23/24/13/454232413.db2.gz KPDCHFXOIZWHAT-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000089910231 454232416 /nfs/dbraw/zinc/23/24/16/454232416.db2.gz KPDCHFXOIZWHAT-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](CC)C(=O)OCC ZINC000616815649 460630145 /nfs/dbraw/zinc/63/01/45/460630145.db2.gz DAGHIYOCHWIYNW-AWEZNQCLSA-N 1 2 349.387 3.290 20 5 EGBDLO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](CC)C(=O)OCC ZINC000616815649 460630150 /nfs/dbraw/zinc/63/01/50/460630150.db2.gz DAGHIYOCHWIYNW-AWEZNQCLSA-N 1 2 349.387 3.290 20 5 EGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000078530564 454269758 /nfs/dbraw/zinc/26/97/58/454269758.db2.gz YZEBCBHDBPTMSF-UHFFFAOYSA-N 1 2 336.395 3.472 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1SCCn1cc[nH+]c1 ZINC000160164057 455434589 /nfs/dbraw/zinc/43/45/89/455434589.db2.gz JSZAIJBONBBNNQ-UHFFFAOYSA-N 1 2 328.191 3.346 20 5 EGBDLO CCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000091679759 454456918 /nfs/dbraw/zinc/45/69/18/454456918.db2.gz ZOPVVCAKKRHKRS-UHFFFAOYSA-N 1 2 330.331 3.197 20 5 EGBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000133847411 454474801 /nfs/dbraw/zinc/47/48/01/454474801.db2.gz CVNFKNDTEMWZCY-CQSZACIVSA-N 1 2 336.351 3.196 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[NH+]2CCN(CCc3cccs3)CC2)cc1 ZINC000064352827 454475551 /nfs/dbraw/zinc/47/55/51/454475551.db2.gz FSKHSRJUHIJQKB-UHFFFAOYSA-N 1 2 345.468 3.059 20 5 EGBDLO COc1cc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000092729141 454618004 /nfs/dbraw/zinc/61/80/04/454618004.db2.gz DCWGZNVZVTYEEO-ZDUSSCGKSA-N 1 2 346.387 3.062 20 5 EGBDLO CCC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000092737408 454621162 /nfs/dbraw/zinc/62/11/62/454621162.db2.gz RIEFOOHREPBAPR-UHFFFAOYSA-N 1 2 338.358 3.472 20 5 EGBDLO CCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000092737408 454621170 /nfs/dbraw/zinc/62/11/70/454621170.db2.gz RIEFOOHREPBAPR-UHFFFAOYSA-N 1 2 338.358 3.472 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cccnc1 ZINC000135854982 454705717 /nfs/dbraw/zinc/70/57/17/454705717.db2.gz QMRKLMCYBFIDMZ-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cccnc1 ZINC000135854982 454705723 /nfs/dbraw/zinc/70/57/23/454705723.db2.gz QMRKLMCYBFIDMZ-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[S@](=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154322127 454884722 /nfs/dbraw/zinc/88/47/22/454884722.db2.gz AVDSRALQMDEPST-XMMPIXPASA-N 1 2 344.436 3.497 20 5 EGBDLO C[S@](=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154322127 454884726 /nfs/dbraw/zinc/88/47/26/454884726.db2.gz AVDSRALQMDEPST-XMMPIXPASA-N 1 2 344.436 3.497 20 5 EGBDLO CCc1cc(NC[C@@H](CC)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000152366150 455108643 /nfs/dbraw/zinc/10/86/43/455108643.db2.gz QFITWTINZXPNNW-ZDUSSCGKSA-N 1 2 344.415 3.435 20 5 EGBDLO Cc1c(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000118836405 455113290 /nfs/dbraw/zinc/11/32/90/455113290.db2.gz PKFKOMNYYMCYMB-INIZCTEOSA-N 1 2 340.427 3.177 20 5 EGBDLO Cc1cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000266835593 455460452 /nfs/dbraw/zinc/46/04/52/455460452.db2.gz JOKUYHLBMKQXJY-BETUJISGSA-N 1 2 343.387 3.050 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000175663625 455478781 /nfs/dbraw/zinc/47/87/81/455478781.db2.gz RRTMEVXBKYLJGC-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192080912 455554890 /nfs/dbraw/zinc/55/48/90/455554890.db2.gz DBPOCRUGTFMBDL-ZDUSSCGKSA-N 1 2 338.791 3.166 20 5 EGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192080912 455554894 /nfs/dbraw/zinc/55/48/94/455554894.db2.gz DBPOCRUGTFMBDL-ZDUSSCGKSA-N 1 2 338.791 3.166 20 5 EGBDLO C[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000268271294 455636170 /nfs/dbraw/zinc/63/61/70/455636170.db2.gz OQYURGFSMFKXOI-SUMWQHHRSA-N 1 2 337.383 3.427 20 5 EGBDLO CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000284204932 455651022 /nfs/dbraw/zinc/65/10/22/455651022.db2.gz XHEQFLMSNSKTET-LBPRGKRZSA-N 1 2 337.767 3.490 20 5 EGBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(CC)[nH]2)cc1[N+](=O)[O-] ZINC000271526429 455672288 /nfs/dbraw/zinc/67/22/88/455672288.db2.gz PBNYPMJLGFUETO-GHMZBOCLSA-N 1 2 333.392 3.086 20 5 EGBDLO Cc1nc(NCCCc2[nH+]c3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000268470817 455692381 /nfs/dbraw/zinc/69/23/81/455692381.db2.gz JEEFDEUBYCDLAU-UHFFFAOYSA-N 1 2 325.372 3.230 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c(F)c1 ZINC000278354797 455827716 /nfs/dbraw/zinc/82/77/16/455827716.db2.gz QWVGJKNCEXQQNH-UHFFFAOYSA-N 1 2 349.337 3.311 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])c[nH+]1 ZINC000194452555 455844185 /nfs/dbraw/zinc/84/41/85/455844185.db2.gz KFJAPPCLLNGFQC-UHFFFAOYSA-N 1 2 342.399 3.074 20 5 EGBDLO COC(=O)/C=C/c1ccc(N[C@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000285486435 455856004 /nfs/dbraw/zinc/85/60/04/455856004.db2.gz DKDPKTGFWXHFJM-YERXGYGTSA-N 1 2 344.371 3.313 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000285829965 455924324 /nfs/dbraw/zinc/92/43/24/455924324.db2.gz WVOWWWKYKPXQHA-CQSZACIVSA-N 1 2 332.360 3.022 20 5 EGBDLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000285829965 455924332 /nfs/dbraw/zinc/92/43/32/455924332.db2.gz WVOWWWKYKPXQHA-CQSZACIVSA-N 1 2 332.360 3.022 20 5 EGBDLO COc1cc(C)nc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000270361638 455938234 /nfs/dbraw/zinc/93/82/34/455938234.db2.gz YAXOCVKANMMLCZ-UHFFFAOYSA-N 1 2 327.384 3.471 20 5 EGBDLO COc1cc(C)nc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000270361638 455938242 /nfs/dbraw/zinc/93/82/42/455938242.db2.gz YAXOCVKANMMLCZ-UHFFFAOYSA-N 1 2 327.384 3.471 20 5 EGBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000215820123 456027116 /nfs/dbraw/zinc/02/71/16/456027116.db2.gz KYKVSFCQRRXRTK-HJWRWDBZSA-N 1 2 348.362 3.110 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757498 456062346 /nfs/dbraw/zinc/06/23/46/456062346.db2.gz BQVMKIBBOJAABY-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757498 456062348 /nfs/dbraw/zinc/06/23/48/456062348.db2.gz BQVMKIBBOJAABY-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)cc1OC(F)F ZINC000301373854 456101785 /nfs/dbraw/zinc/10/17/85/456101785.db2.gz UVEOROHEPDNASX-UHFFFAOYSA-N 1 2 348.309 3.499 20 5 EGBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1[C@H]1CCCO1 ZINC000290016314 456216959 /nfs/dbraw/zinc/21/69/59/456216959.db2.gz ZVZYFSILDPCOFJ-ZBFHGGJFSA-N 1 2 331.372 3.125 20 5 EGBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1[C@H]1CCCO1 ZINC000290016314 456216961 /nfs/dbraw/zinc/21/69/61/456216961.db2.gz ZVZYFSILDPCOFJ-ZBFHGGJFSA-N 1 2 331.372 3.125 20 5 EGBDLO Cc1cc(NC2(CO)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301832301 456227406 /nfs/dbraw/zinc/22/74/06/456227406.db2.gz RFANOTUNCQAUOA-UHFFFAOYSA-N 1 2 328.372 3.077 20 5 EGBDLO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352779285 456298030 /nfs/dbraw/zinc/29/80/30/456298030.db2.gz OCZXSOOQNWRIMF-INIZCTEOSA-N 1 2 336.351 3.180 20 5 EGBDLO COc1ccc(C[N@@H+]2CCOc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC000352839052 456354559 /nfs/dbraw/zinc/35/45/59/456354559.db2.gz NPAWUQCHQFPZEX-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1ccc(C[N@H+]2CCOc3ccc(C)cc3C2)cc1[N+](=O)[O-] ZINC000352839052 456354572 /nfs/dbraw/zinc/35/45/72/456354572.db2.gz NPAWUQCHQFPZEX-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282123035 456418443 /nfs/dbraw/zinc/41/84/43/456418443.db2.gz AWTKYGFZYPBOFR-ZYHUDNBSSA-N 1 2 343.221 3.357 20 5 EGBDLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282123035 456418448 /nfs/dbraw/zinc/41/84/48/456418448.db2.gz AWTKYGFZYPBOFR-ZYHUDNBSSA-N 1 2 343.221 3.357 20 5 EGBDLO COCC[N@H+](Cc1cccnc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276285716 456433503 /nfs/dbraw/zinc/43/35/03/456433503.db2.gz GGAJESZCLUMZSK-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276285716 456433514 /nfs/dbraw/zinc/43/35/14/456433514.db2.gz GGAJESZCLUMZSK-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO C[C@H]1C[N@H+](CCSc2nc3ccc([N+](=O)[O-])cc3s2)CCO1 ZINC000298536875 456483372 /nfs/dbraw/zinc/48/33/72/456483372.db2.gz XPRGVNRDIBYCAU-JTQLQIEISA-N 1 2 339.442 3.017 20 5 EGBDLO C[C@H]1C[N@@H+](CCSc2nc3ccc([N+](=O)[O-])cc3s2)CCO1 ZINC000298536875 456483379 /nfs/dbraw/zinc/48/33/79/456483379.db2.gz XPRGVNRDIBYCAU-JTQLQIEISA-N 1 2 339.442 3.017 20 5 EGBDLO CC(C)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000298480385 456469209 /nfs/dbraw/zinc/46/92/09/456469209.db2.gz GJZSCGQIMUUFQW-UHFFFAOYSA-N 1 2 330.388 3.287 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1F ZINC000282505915 456534916 /nfs/dbraw/zinc/53/49/16/456534916.db2.gz NZQGCBDOALIAQJ-ZDUSSCGKSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1F ZINC000282505915 456534920 /nfs/dbraw/zinc/53/49/20/456534920.db2.gz NZQGCBDOALIAQJ-ZDUSSCGKSA-N 1 2 349.337 3.311 20 5 EGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000315201684 456606663 /nfs/dbraw/zinc/60/66/63/456606663.db2.gz QUSWVXCPKMEFSI-ZJUUUORDSA-N 1 2 335.385 3.250 20 5 EGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCCCn1cc[nH+]c1 ZINC000323435713 456653648 /nfs/dbraw/zinc/65/36/48/456653648.db2.gz RCCNFWTWGBDSSJ-UHFFFAOYSA-N 1 2 329.282 3.097 20 5 EGBDLO CCCCc1[nH]c2ccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])cc2[nH+]1 ZINC000299530227 456719850 /nfs/dbraw/zinc/71/98/50/456719850.db2.gz DOXMETREIPBFQE-UHFFFAOYSA-N 1 2 342.359 3.098 20 5 EGBDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000353645108 456825568 /nfs/dbraw/zinc/82/55/68/456825568.db2.gz RJQBZTOFLVBQKS-IPYPFGDCSA-N 1 2 342.399 3.335 20 5 EGBDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000292069972 456846887 /nfs/dbraw/zinc/84/68/87/456846887.db2.gz CKPVDCOIAJKMMO-UHFFFAOYSA-N 1 2 337.763 3.220 20 5 EGBDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000292069972 456846890 /nfs/dbraw/zinc/84/68/90/456846890.db2.gz CKPVDCOIAJKMMO-UHFFFAOYSA-N 1 2 337.763 3.220 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)c1 ZINC000345018101 456899244 /nfs/dbraw/zinc/89/92/44/456899244.db2.gz IHTBRDMECZLPLQ-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000339203254 456989770 /nfs/dbraw/zinc/98/97/70/456989770.db2.gz LNROFGPAIDTJGJ-HNNXBMFYSA-N 1 2 336.775 3.431 20 5 EGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000339215335 456995534 /nfs/dbraw/zinc/99/55/34/456995534.db2.gz UYZKPVHMBVWESD-MGPLVRAMSA-N 1 2 334.397 3.154 20 5 EGBDLO Cc1nn(C(C)C)cc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356536654 457042891 /nfs/dbraw/zinc/04/28/91/457042891.db2.gz ZNVOIXNHQZGNNK-UHFFFAOYSA-N 1 2 330.388 3.075 20 5 EGBDLO Cc1nn(C(C)C)cc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356536654 457042897 /nfs/dbraw/zinc/04/28/97/457042897.db2.gz ZNVOIXNHQZGNNK-UHFFFAOYSA-N 1 2 330.388 3.075 20 5 EGBDLO Cc1cccc2[nH+]c(CNc3ncnc4sc([N+](=O)[O-])cc43)cn21 ZINC000342215392 457174236 /nfs/dbraw/zinc/17/42/36/457174236.db2.gz BFJAYQFDWFIJBK-UHFFFAOYSA-N 1 2 340.368 3.168 20 5 EGBDLO Cc1cc(N[C@H](C)c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339681722 457210575 /nfs/dbraw/zinc/21/05/75/457210575.db2.gz YBLPLPGMEMPKCS-CYBMUJFWSA-N 1 2 335.367 3.350 20 5 EGBDLO CC1(C)CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342292661 457217522 /nfs/dbraw/zinc/21/75/22/457217522.db2.gz RAKBWAHJDIFLAT-INIZCTEOSA-N 1 2 342.399 3.479 20 5 EGBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cn2c(n1)CCCC2 ZINC000373879707 457383152 /nfs/dbraw/zinc/38/31/52/457383152.db2.gz DJHWBULJDVDUFM-SOFGYWHQSA-N 1 2 326.400 3.273 20 5 EGBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cn2c(n1)CCCC2 ZINC000373879707 457383158 /nfs/dbraw/zinc/38/31/58/457383158.db2.gz DJHWBULJDVDUFM-SOFGYWHQSA-N 1 2 326.400 3.273 20 5 EGBDLO CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cn2c([nH+]1)CCCC2 ZINC000373879707 457383163 /nfs/dbraw/zinc/38/31/63/457383163.db2.gz DJHWBULJDVDUFM-SOFGYWHQSA-N 1 2 326.400 3.273 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNc2ccc(CO)c[nH+]2)o1 ZINC000356353029 457580324 /nfs/dbraw/zinc/58/03/24/457580324.db2.gz ZHWMFQLTYPUJDX-UHFFFAOYSA-N 1 2 325.324 3.354 20 5 EGBDLO CCSCCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000409650506 457611369 /nfs/dbraw/zinc/61/13/69/457611369.db2.gz HTIPYMJYKZRBRZ-UHFFFAOYSA-N 1 2 332.429 3.337 20 5 EGBDLO Cc1cnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000361261572 457670655 /nfs/dbraw/zinc/67/06/55/457670655.db2.gz GZUXLZRWJWKSJR-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000364795161 457694253 /nfs/dbraw/zinc/69/42/53/457694253.db2.gz ITHNKBCVOFGKMT-AWEZNQCLSA-N 1 2 342.399 3.461 20 5 EGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000358043976 457750178 /nfs/dbraw/zinc/75/01/78/457750178.db2.gz DVKYVYFZFNJDPY-CQSZACIVSA-N 1 2 342.399 3.431 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000371055286 457774305 /nfs/dbraw/zinc/77/43/05/457774305.db2.gz OPQWEKKXQOILGG-JTQLQIEISA-N 1 2 349.778 3.003 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443958546 457830167 /nfs/dbraw/zinc/83/01/67/457830167.db2.gz LNBWVVRTGXJLAR-UHFFFAOYSA-N 1 2 347.318 3.369 20 5 EGBDLO CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000361842965 457903092 /nfs/dbraw/zinc/90/30/92/457903092.db2.gz KZJAAYRJHAZSMT-CHWSQXEVSA-N 1 2 330.388 3.335 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000411927534 458014641 /nfs/dbraw/zinc/01/46/41/458014641.db2.gz SITGMKHTLWUIQJ-CXAGYDPISA-N 1 2 334.322 3.181 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000411927534 458014647 /nfs/dbraw/zinc/01/46/47/458014647.db2.gz SITGMKHTLWUIQJ-CXAGYDPISA-N 1 2 334.322 3.181 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000376091487 458191396 /nfs/dbraw/zinc/19/13/96/458191396.db2.gz CUQQWJVHKJCDGD-NSHDSACASA-N 1 2 348.790 3.002 20 5 EGBDLO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000428929772 458234173 /nfs/dbraw/zinc/23/41/73/458234173.db2.gz VOZDAKWLGVMCIK-CYBMUJFWSA-N 1 2 348.321 3.015 20 5 EGBDLO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000428929772 458234174 /nfs/dbraw/zinc/23/41/74/458234174.db2.gz VOZDAKWLGVMCIK-CYBMUJFWSA-N 1 2 348.321 3.015 20 5 EGBDLO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000428929774 458234229 /nfs/dbraw/zinc/23/42/29/458234229.db2.gz VOZDAKWLGVMCIK-ZDUSSCGKSA-N 1 2 348.321 3.015 20 5 EGBDLO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000428929774 458234237 /nfs/dbraw/zinc/23/42/37/458234237.db2.gz VOZDAKWLGVMCIK-ZDUSSCGKSA-N 1 2 348.321 3.015 20 5 EGBDLO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000428936545 458234978 /nfs/dbraw/zinc/23/49/78/458234978.db2.gz AORJVFDZXUJQRH-ZDUSSCGKSA-N 1 2 332.322 3.179 20 5 EGBDLO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000428936545 458234984 /nfs/dbraw/zinc/23/49/84/458234984.db2.gz AORJVFDZXUJQRH-ZDUSSCGKSA-N 1 2 332.322 3.179 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncnc3sc([N+](=O)[O-])cc31)CCC2 ZINC000376403790 458291058 /nfs/dbraw/zinc/29/10/58/458291058.db2.gz PZZWWNGLHBGBHA-SNVBAGLBSA-N 1 2 344.400 3.094 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1c(C)nc2sccn12 ZINC000430201579 458420798 /nfs/dbraw/zinc/42/07/98/458420798.db2.gz DFOIXPDSESXPQW-UHFFFAOYSA-N 1 2 346.412 3.253 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000430201579 458420804 /nfs/dbraw/zinc/42/08/04/458420804.db2.gz DFOIXPDSESXPQW-UHFFFAOYSA-N 1 2 346.412 3.253 20 5 EGBDLO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)nc1C ZINC000459676557 458444793 /nfs/dbraw/zinc/44/47/93/458444793.db2.gz UPXKXQPXWFCARS-UHFFFAOYSA-N 1 2 337.326 3.498 20 5 EGBDLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000437896789 458508969 /nfs/dbraw/zinc/50/89/69/458508969.db2.gz QNPDAOWLWFOFRX-CQSZACIVSA-N 1 2 342.399 3.066 20 5 EGBDLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000437896789 458508971 /nfs/dbraw/zinc/50/89/71/458508971.db2.gz QNPDAOWLWFOFRX-CQSZACIVSA-N 1 2 342.399 3.066 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494222827 458642662 /nfs/dbraw/zinc/64/26/62/458642662.db2.gz IPKWRUIUDMIQTL-LBPRGKRZSA-N 1 2 341.358 3.209 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494222827 458642669 /nfs/dbraw/zinc/64/26/69/458642669.db2.gz IPKWRUIUDMIQTL-LBPRGKRZSA-N 1 2 341.358 3.209 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C/c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000547039601 458695841 /nfs/dbraw/zinc/69/58/41/458695841.db2.gz QWPWIOQCAGEPSO-CMDGGOBGSA-N 1 2 347.334 3.387 20 5 EGBDLO Cc1cccn2cc(Cc3noc(-c4ccc([N+](=O)[O-])s4)n3)[nH+]c12 ZINC000547094488 458698323 /nfs/dbraw/zinc/69/83/23/458698323.db2.gz RACQNTHBZPQTOA-UHFFFAOYSA-N 1 2 341.352 3.253 20 5 EGBDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1F ZINC000530865527 458836473 /nfs/dbraw/zinc/83/64/73/458836473.db2.gz IFBGSIAYPPLGAS-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc([N+](=O)[O-])cc1F ZINC000530865527 458836476 /nfs/dbraw/zinc/83/64/76/458836476.db2.gz IFBGSIAYPPLGAS-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC1CCCCC1 ZINC000441266331 458908866 /nfs/dbraw/zinc/90/88/66/458908866.db2.gz VACWRLOKQUVWLA-UHFFFAOYSA-N 1 2 345.443 3.256 20 5 EGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC1CCCCC1 ZINC000441266331 458908871 /nfs/dbraw/zinc/90/88/71/458908871.db2.gz VACWRLOKQUVWLA-UHFFFAOYSA-N 1 2 345.443 3.256 20 5 EGBDLO COc1ccc(COc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000531433321 458917528 /nfs/dbraw/zinc/91/75/28/458917528.db2.gz VQKVFZQJHJCQKF-UHFFFAOYSA-N 1 2 325.324 3.368 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000595036189 459224117 /nfs/dbraw/zinc/22/41/17/459224117.db2.gz QHACOJUEEKIOSB-UGSOOPFHSA-N 1 2 341.411 3.441 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000595036189 459224122 /nfs/dbraw/zinc/22/41/22/459224122.db2.gz QHACOJUEEKIOSB-UGSOOPFHSA-N 1 2 341.411 3.441 20 5 EGBDLO COCc1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000595050620 459228088 /nfs/dbraw/zinc/22/80/88/459228088.db2.gz MJKRRSNAVDILMO-JTQLQIEISA-N 1 2 337.401 3.057 20 5 EGBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1onc(C)c1[N+](=O)[O-])CCC2 ZINC000595382956 459288403 /nfs/dbraw/zinc/28/84/03/459288403.db2.gz MDZWZHRGBPKUHU-NSHDSACASA-N 1 2 336.417 3.420 20 5 EGBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1onc(C)c1[N+](=O)[O-])CCC2 ZINC000595382956 459288410 /nfs/dbraw/zinc/28/84/10/459288410.db2.gz MDZWZHRGBPKUHU-NSHDSACASA-N 1 2 336.417 3.420 20 5 EGBDLO Cc1noc(C[NH2+][C@H](C)c2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC000595412148 459292869 /nfs/dbraw/zinc/29/28/69/459292869.db2.gz VBPSSSJAPHHRQI-MRVPVSSYSA-N 1 2 327.287 3.343 20 5 EGBDLO COc1cc(C)c([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595417354 459294405 /nfs/dbraw/zinc/29/44/05/459294405.db2.gz XRFCYFUHTSEYEF-SNVBAGLBSA-N 1 2 335.360 3.068 20 5 EGBDLO CC[N@H+](Cc1occc1C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591265792 459343230 /nfs/dbraw/zinc/34/32/30/459343230.db2.gz DXVNEUAJYSJHLS-UHFFFAOYSA-N 1 2 332.356 3.290 20 5 EGBDLO CC[N@@H+](Cc1occc1C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591265792 459343234 /nfs/dbraw/zinc/34/32/34/459343234.db2.gz DXVNEUAJYSJHLS-UHFFFAOYSA-N 1 2 332.356 3.290 20 5 EGBDLO CC[N@H+](CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC000596063077 459506748 /nfs/dbraw/zinc/50/67/48/459506748.db2.gz QPPBAZDYIISRED-UHFFFAOYSA-N 1 2 342.399 3.022 20 5 EGBDLO CC[N@@H+](CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1 ZINC000596063077 459506756 /nfs/dbraw/zinc/50/67/56/459506756.db2.gz QPPBAZDYIISRED-UHFFFAOYSA-N 1 2 342.399 3.022 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915718 459529018 /nfs/dbraw/zinc/52/90/18/459529018.db2.gz QHARYUZTWZLHJB-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915718 459529022 /nfs/dbraw/zinc/52/90/22/459529022.db2.gz QHARYUZTWZLHJB-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000592348556 459577802 /nfs/dbraw/zinc/57/78/02/459577802.db2.gz IXONHBMDMLBEBK-UHFFFAOYSA-N 1 2 327.340 3.378 20 5 EGBDLO CC(=O)c1cc(NCC[NH+]2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000587543237 459893008 /nfs/dbraw/zinc/89/30/08/459893008.db2.gz COCCXLUHFHZBFG-UHFFFAOYSA-N 1 2 325.368 3.225 20 5 EGBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000593490713 459905066 /nfs/dbraw/zinc/90/50/66/459905066.db2.gz DYDXYMDHWRXUPP-XJKSGUPXSA-N 1 2 342.399 3.364 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131507 459907900 /nfs/dbraw/zinc/90/79/00/459907900.db2.gz RECDZNAOYCMXJK-AWEZNQCLSA-N 1 2 340.339 3.015 20 5 EGBDLO CCO[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602430601 459934934 /nfs/dbraw/zinc/93/49/34/459934934.db2.gz JMQYVKARZGFFNO-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO CCO[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602430601 459934941 /nfs/dbraw/zinc/93/49/41/459934941.db2.gz JMQYVKARZGFFNO-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002189 460049657 /nfs/dbraw/zinc/04/96/57/460049657.db2.gz KAYMUPYTHOIOPO-SNVBAGLBSA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002189 460049665 /nfs/dbraw/zinc/04/96/65/460049665.db2.gz KAYMUPYTHOIOPO-SNVBAGLBSA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CC(F)F)c2ncccc12 ZINC000599132593 460170503 /nfs/dbraw/zinc/17/05/03/460170503.db2.gz FFORCKCEWAQWMA-NSHDSACASA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CC(F)F)c2ncccc12 ZINC000599132593 460170510 /nfs/dbraw/zinc/17/05/10/460170510.db2.gz FFORCKCEWAQWMA-NSHDSACASA-N 1 2 336.342 3.284 20 5 EGBDLO COCC[N@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581785 460188030 /nfs/dbraw/zinc/18/80/30/460188030.db2.gz LJWYHLYVGXQKIH-UHFFFAOYSA-N 1 2 347.396 3.446 20 5 EGBDLO COCC[N@@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581785 460188036 /nfs/dbraw/zinc/18/80/36/460188036.db2.gz LJWYHLYVGXQKIH-UHFFFAOYSA-N 1 2 347.396 3.446 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514537 460265890 /nfs/dbraw/zinc/26/58/90/460265890.db2.gz XVTUYFUWWGEELV-TXEJJXNPSA-N 1 2 341.358 3.065 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514537 460265891 /nfs/dbraw/zinc/26/58/91/460265891.db2.gz XVTUYFUWWGEELV-TXEJJXNPSA-N 1 2 341.358 3.065 20 5 EGBDLO Cc1cc(NCCc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000603937249 460361071 /nfs/dbraw/zinc/36/10/71/460361071.db2.gz PKPATPCHLTVJQU-UHFFFAOYSA-N 1 2 334.379 3.437 20 5 EGBDLO Cc1[nH+]c2ccccc2n1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000619503030 460370234 /nfs/dbraw/zinc/37/02/34/460370234.db2.gz YRMCBSLTZVDLIX-UHFFFAOYSA-N 1 2 337.383 3.489 20 5 EGBDLO COc1ccc(C)cc1C[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000604433426 460427745 /nfs/dbraw/zinc/42/77/45/460427745.db2.gz VVXQVCZGTNEDOY-UHFFFAOYSA-N 1 2 347.440 3.296 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000601241047 460763195 /nfs/dbraw/zinc/76/31/95/460763195.db2.gz VUNKFSZMDBQOFP-UHFFFAOYSA-N 1 2 336.442 3.217 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000078876139 522939325 /nfs/dbraw/zinc/93/93/25/522939325.db2.gz JFQBCEKZXVRKOG-UHFFFAOYSA-N 1 2 342.399 3.349 20 5 EGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc[nH+]1 ZINC000092349429 1292863580 /nfs/dbraw/zinc/86/35/80/1292863580.db2.gz XRDMFHXOLIBFGO-UHFFFAOYSA-N 1 2 336.145 3.313 20 5 EGBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000113684507 1293156089 /nfs/dbraw/zinc/15/60/89/1293156089.db2.gz IHTUQMIXEDOYGB-GFCCVEGCSA-N 1 2 338.323 3.094 20 5 EGBDLO CS[C@H](C)CCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835668004 1293344255 /nfs/dbraw/zinc/34/42/55/1293344255.db2.gz GEKFYESHUZNYMZ-LLVKDONJSA-N 1 2 335.385 3.079 20 5 EGBDLO Cc1ccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000750392704 1299387079 /nfs/dbraw/zinc/38/70/79/1299387079.db2.gz SGNBKEOQWGYQAY-UHFFFAOYSA-N 1 2 343.387 3.028 20 5 EGBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758338182 1300854385 /nfs/dbraw/zinc/85/43/85/1300854385.db2.gz KKIMFHFLVTYAAT-CQSZACIVSA-N 1 2 349.366 3.167 20 5 EGBDLO CN(C)c1cc(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc[nH+]1 ZINC000767583005 1302715408 /nfs/dbraw/zinc/71/54/08/1302715408.db2.gz GUROKCGQEXYTJW-UHFFFAOYSA-N 1 2 335.747 3.066 20 5 EGBDLO CC[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000769030539 1303034158 /nfs/dbraw/zinc/03/41/58/1303034158.db2.gz TXIJRLGZAFRKFQ-NSHDSACASA-N 1 2 343.221 3.358 20 5 EGBDLO CC[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000769030539 1303034157 /nfs/dbraw/zinc/03/41/57/1303034157.db2.gz TXIJRLGZAFRKFQ-NSHDSACASA-N 1 2 343.221 3.358 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000885983668 1303308478 /nfs/dbraw/zinc/30/84/78/1303308478.db2.gz LZDLCGJDXUDRAD-OAHLLOKOSA-N 1 2 341.367 3.098 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000885983668 1303308483 /nfs/dbraw/zinc/30/84/83/1303308483.db2.gz LZDLCGJDXUDRAD-OAHLLOKOSA-N 1 2 341.367 3.098 20 5 EGBDLO O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000771484275 1303410701 /nfs/dbraw/zinc/41/07/01/1303410701.db2.gz RJQXYSLHARSPSX-UHFFFAOYSA-N 1 2 327.271 3.139 20 5 EGBDLO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc2[nH+]ccn21 ZINC000777003761 1304231290 /nfs/dbraw/zinc/23/12/90/1304231290.db2.gz ATAJGHWJGUWNTG-UHFFFAOYSA-N 1 2 333.307 3.043 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCOC4(CCCC4)C3)c2)c1 ZINC000777963356 1304374789 /nfs/dbraw/zinc/37/47/89/1304374789.db2.gz JXYZPTKURMWJKL-UHFFFAOYSA-N 1 2 342.399 3.061 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCOC4(CCCC4)C3)c2)c1 ZINC000777963356 1304374793 /nfs/dbraw/zinc/37/47/93/1304374793.db2.gz JXYZPTKURMWJKL-UHFFFAOYSA-N 1 2 342.399 3.061 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000892192667 1305277624 /nfs/dbraw/zinc/27/76/24/1305277624.db2.gz NPMDBCOYCGIKMS-HNNXBMFYSA-N 1 2 345.399 3.375 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCCC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000892192667 1305277626 /nfs/dbraw/zinc/27/76/26/1305277626.db2.gz NPMDBCOYCGIKMS-HNNXBMFYSA-N 1 2 345.399 3.375 20 5 EGBDLO CC1(C)C[NH+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC(C)(C)C1 ZINC000794642591 1309561713 /nfs/dbraw/zinc/56/17/13/1309561713.db2.gz MDOBUMPWYOSNSH-UHFFFAOYSA-N 1 2 333.388 3.218 20 5 EGBDLO CC[C@@]1(C)CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000808143412 1317631362 /nfs/dbraw/zinc/63/13/62/1317631362.db2.gz VZHPGHDDIMHNFY-SFHVURJKSA-N 1 2 333.432 3.411 20 5 EGBDLO CC[C@@]1(C)CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000808143412 1317631368 /nfs/dbraw/zinc/63/13/68/1317631368.db2.gz VZHPGHDDIMHNFY-SFHVURJKSA-N 1 2 333.432 3.411 20 5 EGBDLO CCn1nc(C)c(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000818347436 1319534452 /nfs/dbraw/zinc/53/44/52/1319534452.db2.gz ZTSYNRLVRIQRQW-HNNXBMFYSA-N 1 2 329.404 3.027 20 5 EGBDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000859529907 1329009751 /nfs/dbraw/zinc/00/97/51/1329009751.db2.gz CKQVMCOJTIMYGQ-UHFFFAOYSA-N 1 2 341.383 3.081 20 5 EGBDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000859529907 1329009755 /nfs/dbraw/zinc/00/97/55/1329009755.db2.gz CKQVMCOJTIMYGQ-UHFFFAOYSA-N 1 2 341.383 3.081 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1cccc(Br)c1[N+](=O)[O-] ZINC000856736154 1325515874 /nfs/dbraw/zinc/51/58/74/1325515874.db2.gz LNNXTUGZHGISQG-UHFFFAOYSA-N 1 2 339.193 3.080 20 5 EGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000933173424 1329869261 /nfs/dbraw/zinc/86/92/61/1329869261.db2.gz DZJFHIVLMYPEQE-GHMZBOCLSA-N 1 2 326.780 3.022 20 5 EGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000933173424 1329869262 /nfs/dbraw/zinc/86/92/62/1329869262.db2.gz DZJFHIVLMYPEQE-GHMZBOCLSA-N 1 2 326.780 3.022 20 5 EGBDLO C/C=C(\C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039541243 1345136491 /nfs/dbraw/zinc/13/64/91/1345136491.db2.gz LYVALICVBYIBKJ-BVWQABNMSA-N 1 2 343.427 3.126 20 5 EGBDLO C/C=C(\C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039541243 1345136495 /nfs/dbraw/zinc/13/64/95/1345136495.db2.gz LYVALICVBYIBKJ-BVWQABNMSA-N 1 2 343.427 3.126 20 5 EGBDLO Cc1cccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001225632470 1375135835 /nfs/dbraw/zinc/13/58/35/1375135835.db2.gz JZPRHYWMQQKZAG-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1cccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001225632470 1375135839 /nfs/dbraw/zinc/13/58/39/1375135839.db2.gz JZPRHYWMQQKZAG-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]1CC(=O)C2 ZINC001226204304 1375220237 /nfs/dbraw/zinc/22/02/37/1375220237.db2.gz NBNUHFLFKRDSCM-AAAAQAOESA-N 1 2 345.182 3.085 20 5 EGBDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]1CC(=O)C2 ZINC001226204304 1375220243 /nfs/dbraw/zinc/22/02/43/1375220243.db2.gz NBNUHFLFKRDSCM-AAAAQAOESA-N 1 2 345.182 3.085 20 5 EGBDLO C[C@H](Oc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227479694 1375435491 /nfs/dbraw/zinc/43/54/91/1375435491.db2.gz HXQSPXVSZMQACN-HNAYVOBHSA-N 1 2 342.395 3.263 20 5 EGBDLO C[C@H](Oc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227479694 1375435495 /nfs/dbraw/zinc/43/54/95/1375435495.db2.gz HXQSPXVSZMQACN-HNAYVOBHSA-N 1 2 342.395 3.263 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001262128753 1377128995 /nfs/dbraw/zinc/12/89/95/1377128995.db2.gz ITTVWRMRQRHDQE-UHFFFAOYSA-N 1 2 334.401 3.145 20 5 EGBDLO C[N@@H+]1CCO[C@H](CNC(=O)c2c3ccccc3cc3ccccc32)C1 ZINC001153498896 1380085238 /nfs/dbraw/zinc/08/52/38/1380085238.db2.gz HCABIYUONRCICX-QGZVFWFLSA-N 1 2 334.419 3.053 20 5 EGBDLO C[N@H+]1CCO[C@H](CNC(=O)c2c3ccccc3cc3ccccc32)C1 ZINC001153498896 1380085241 /nfs/dbraw/zinc/08/52/41/1380085241.db2.gz HCABIYUONRCICX-QGZVFWFLSA-N 1 2 334.419 3.053 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c(Cl)c1 ZINC001155087097 1380406021 /nfs/dbraw/zinc/40/60/21/1380406021.db2.gz SHZRXFXGRHDOCV-MRXNPFEDSA-N 1 2 344.802 3.063 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c(Cl)c1 ZINC001155087097 1380406022 /nfs/dbraw/zinc/40/60/22/1380406022.db2.gz SHZRXFXGRHDOCV-MRXNPFEDSA-N 1 2 344.802 3.063 20 5 EGBDLO Cc1cc(Cl)nc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC001158145367 1381140814 /nfs/dbraw/zinc/14/08/14/1381140814.db2.gz MYYXTGJWGKSJGP-UHFFFAOYSA-N 1 2 331.763 3.254 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1F ZINC001173178948 1384931930 /nfs/dbraw/zinc/93/19/30/1384931930.db2.gz CIIIEDMUZHDVNS-NQBHXWOUSA-N 1 2 328.359 3.353 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](C)[C@H](F)C2)c1F ZINC001173178948 1384931932 /nfs/dbraw/zinc/93/19/32/1384931932.db2.gz CIIIEDMUZHDVNS-NQBHXWOUSA-N 1 2 328.359 3.353 20 5 EGBDLO Cc1nc([C@H]2CCCC[N@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173226045 1384940306 /nfs/dbraw/zinc/94/03/06/1384940306.db2.gz HGDCQCCXNCXUGU-BLLLJJGKSA-N 1 2 330.388 3.444 20 5 EGBDLO Cc1nc([C@H]2CCCC[N@@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173226045 1384940309 /nfs/dbraw/zinc/94/03/09/1384940309.db2.gz HGDCQCCXNCXUGU-BLLLJJGKSA-N 1 2 330.388 3.444 20 5 EGBDLO C[C@@H](C(=O)OCCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001348522844 1391232210 /nfs/dbraw/zinc/23/22/10/1391232210.db2.gz FWEAYIBGEOPSAA-CYBMUJFWSA-N 1 2 343.383 3.017 20 5 EGBDLO O=[N+]([O-])c1ccc(CCNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000184430037 235395830 /nfs/dbraw/zinc/39/58/30/235395830.db2.gz RCJFLYQGTCSYPB-UHFFFAOYSA-N 1 2 341.411 3.082 20 5 EGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c2cc1C ZINC000024097755 202113798 /nfs/dbraw/zinc/11/37/98/202113798.db2.gz HQZVYNUPDGXRMV-OAHLLOKOSA-N 1 2 341.367 3.001 20 5 EGBDLO CCc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125341914 205005664 /nfs/dbraw/zinc/00/56/64/205005664.db2.gz JKGZSJNKZOTORB-SUMWQHHRSA-N 1 2 342.399 3.077 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3ccsc3C2)c([N+](=O)[O-])cc1OC ZINC000127064027 205083049 /nfs/dbraw/zinc/08/30/49/205083049.db2.gz ILIVVBHISVSXCJ-UHFFFAOYSA-N 1 2 334.397 3.232 20 5 EGBDLO COc1cc(C[N@H+]2CCc3ccsc3C2)c([N+](=O)[O-])cc1OC ZINC000127064027 205083054 /nfs/dbraw/zinc/08/30/54/205083054.db2.gz ILIVVBHISVSXCJ-UHFFFAOYSA-N 1 2 334.397 3.232 20 5 EGBDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127901903 205122468 /nfs/dbraw/zinc/12/24/68/205122468.db2.gz XHEIYZRDZQJVEF-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127901903 205122473 /nfs/dbraw/zinc/12/24/73/205122473.db2.gz XHEIYZRDZQJVEF-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127901700 205122831 /nfs/dbraw/zinc/12/28/31/205122831.db2.gz XHEIYZRDZQJVEF-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127901700 205122836 /nfs/dbraw/zinc/12/28/36/205122836.db2.gz XHEIYZRDZQJVEF-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1 ZINC000130193850 205227759 /nfs/dbraw/zinc/22/77/59/205227759.db2.gz UWVYAQGFHTUALH-UHFFFAOYSA-N 1 2 325.368 3.198 20 5 EGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1 ZINC000130193850 205227762 /nfs/dbraw/zinc/22/77/62/205227762.db2.gz UWVYAQGFHTUALH-UHFFFAOYSA-N 1 2 325.368 3.198 20 5 EGBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375928441 168845623 /nfs/dbraw/zinc/84/56/23/168845623.db2.gz AKJKUGRXCOEMII-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375928441 168845625 /nfs/dbraw/zinc/84/56/25/168845625.db2.gz AKJKUGRXCOEMII-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO Cc1ccnc(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000265199361 247291344 /nfs/dbraw/zinc/29/13/44/247291344.db2.gz MKSIFMCGAYZVIC-STQMWFEESA-N 1 2 343.387 3.050 20 5 EGBDLO CCSCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000173264092 206908503 /nfs/dbraw/zinc/90/85/03/206908503.db2.gz CKEUZYGLBVXDTG-GFCCVEGCSA-N 1 2 348.428 3.042 20 5 EGBDLO C[C@H](N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000175570195 207138250 /nfs/dbraw/zinc/13/82/50/207138250.db2.gz NPLWVMAYDLTQPF-LBPRGKRZSA-N 1 2 328.372 3.041 20 5 EGBDLO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000051155462 132180061 /nfs/dbraw/zinc/18/00/61/132180061.db2.gz GSSSRYOGKGVSRP-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO Cc1ccn2cc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000346199093 141179157 /nfs/dbraw/zinc/17/91/57/141179157.db2.gz KYNWFJPKFONSJI-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000353438521 141295447 /nfs/dbraw/zinc/29/54/47/141295447.db2.gz LMQTVWZMXNTDLP-UHFFFAOYSA-N 1 2 326.356 3.309 20 5 EGBDLO C[C@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000185701080 144117841 /nfs/dbraw/zinc/11/78/41/144117841.db2.gz RQQFHBIVSKTIMD-NHYWBVRUSA-N 1 2 346.362 3.314 20 5 EGBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341234760 155217773 /nfs/dbraw/zinc/21/77/73/155217773.db2.gz FAGPATBPTKAFKV-UHFFFAOYSA-N 1 2 348.428 3.185 20 5 EGBDLO Cc1cc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000119613034 152217764 /nfs/dbraw/zinc/21/77/64/152217764.db2.gz IHEBJCMVOWGGKA-UHFFFAOYSA-N 1 2 328.372 3.443 20 5 EGBDLO CCOc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000120168357 152257002 /nfs/dbraw/zinc/25/70/02/152257002.db2.gz QHHWBDSRPWKUQD-ZDUSSCGKSA-N 1 2 344.371 3.084 20 5 EGBDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000337390345 154328398 /nfs/dbraw/zinc/32/83/98/154328398.db2.gz HDEHJLSURGLSAH-UHFFFAOYSA-N 1 2 343.358 3.039 20 5 EGBDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000337390345 154328399 /nfs/dbraw/zinc/32/83/99/154328399.db2.gz HDEHJLSURGLSAH-UHFFFAOYSA-N 1 2 343.358 3.039 20 5 EGBDLO Cc1[nH+]c2ccccn2c1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349146199 156366737 /nfs/dbraw/zinc/36/67/37/156366737.db2.gz VNLAXPWNXMKGBR-UHFFFAOYSA-N 1 2 333.351 3.463 20 5 EGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000368776945 157287593 /nfs/dbraw/zinc/28/75/93/157287593.db2.gz IQSZRSIIPLCROK-UHFFFAOYSA-N 1 2 328.353 3.309 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3nccs3)cs2)c1 ZINC000113325460 162208723 /nfs/dbraw/zinc/20/87/23/162208723.db2.gz FGADAFGWHYARIJ-UHFFFAOYSA-N 1 2 332.410 3.465 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000338939978 163393939 /nfs/dbraw/zinc/39/39/39/163393939.db2.gz IUWPDUMOXNOXHB-UHFFFAOYSA-N 1 2 331.441 3.017 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]cc1CC ZINC000343772754 164032052 /nfs/dbraw/zinc/03/20/52/164032052.db2.gz WNWNVMSOVGHFHE-UHFFFAOYSA-N 1 2 331.397 3.338 20 5 EGBDLO CCc1ccc([C@@H](NCc2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346573743 164399545 /nfs/dbraw/zinc/39/95/45/164399545.db2.gz RXNNKZLEOCOYAA-SFHVURJKSA-N 1 2 340.383 3.363 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000352349472 165356946 /nfs/dbraw/zinc/35/69/46/165356946.db2.gz DOZFXWVTSXXZAW-OAHLLOKOSA-N 1 2 336.351 3.196 20 5 EGBDLO Cc1cc(NCCCCc2ccc([N+](=O)[O-])cc2)nc(C2CC2)[nH+]1 ZINC000352348560 165357063 /nfs/dbraw/zinc/35/70/63/165357063.db2.gz BAQDSTUXONVKQF-UHFFFAOYSA-N 1 2 326.400 3.427 20 5 EGBDLO O=[N+]([O-])c1cc(F)cc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000355651801 166272782 /nfs/dbraw/zinc/27/27/82/166272782.db2.gz NUGHSDVRUVNYSF-UHFFFAOYSA-N 1 2 339.286 3.022 20 5 EGBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(COCc2[nH]cc[nH+]2)cc1OC ZINC000358924263 167007322 /nfs/dbraw/zinc/00/73/22/167007322.db2.gz LERXQWMTRAPRPR-LBPRGKRZSA-N 1 2 349.387 3.468 20 5 EGBDLO Cc1ccnc(OC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000360210903 167272752 /nfs/dbraw/zinc/27/27/52/167272752.db2.gz AFFHGTOOGKAJLQ-UHFFFAOYSA-N 1 2 345.374 3.481 20 5 EGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000366357235 168110985 /nfs/dbraw/zinc/11/09/85/168110985.db2.gz UZRGNVQGDNMMOO-UHFFFAOYSA-N 1 2 336.351 3.475 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC000366684523 168128740 /nfs/dbraw/zinc/12/87/40/168128740.db2.gz FMUHKQMPQBXCBQ-AWEZNQCLSA-N 1 2 337.383 3.059 20 5 EGBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000269649115 266333954 /nfs/dbraw/zinc/33/39/54/266333954.db2.gz LRLJOHVRWVQKMI-DQYPLSBCSA-N 1 2 348.424 3.152 20 5 EGBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000269649115 266333958 /nfs/dbraw/zinc/33/39/58/266333958.db2.gz LRLJOHVRWVQKMI-DQYPLSBCSA-N 1 2 348.424 3.152 20 5 EGBDLO Cc1cc(N2CCC[C@@H]2C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269896741 266377524 /nfs/dbraw/zinc/37/75/24/266377524.db2.gz SDTWIADBSXYPJI-CZUORRHYSA-N 1 2 342.399 3.100 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000274332844 267219775 /nfs/dbraw/zinc/21/97/75/267219775.db2.gz WWVRGFXSBNFJEN-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO CCC(=O)c1ccc(NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000280018736 275391992 /nfs/dbraw/zinc/39/19/92/275391992.db2.gz JPHQDVBPLZRUTF-UHFFFAOYSA-N 1 2 328.372 3.261 20 5 EGBDLO Cc1nnc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000283159229 275701739 /nfs/dbraw/zinc/70/17/39/275701739.db2.gz OYEDTOCDRFYPBS-NSHDSACASA-N 1 2 348.428 3.359 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000289623021 276367773 /nfs/dbraw/zinc/36/77/73/276367773.db2.gz ROODFPDVZVVBRZ-HZPDHXFCSA-N 1 2 347.371 3.037 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000289623021 276367774 /nfs/dbraw/zinc/36/77/74/276367774.db2.gz ROODFPDVZVVBRZ-HZPDHXFCSA-N 1 2 347.371 3.037 20 5 EGBDLO Cc1cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000292339666 276773586 /nfs/dbraw/zinc/77/35/86/276773586.db2.gz BIZGBKCOJPOSIG-UHFFFAOYSA-N 1 2 346.284 3.438 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000342938731 280372750 /nfs/dbraw/zinc/37/27/50/280372750.db2.gz YRMWSSQJWQKFCR-UHFFFAOYSA-N 1 2 338.342 3.482 20 5 EGBDLO C[C@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1F ZINC000347554210 289382901 /nfs/dbraw/zinc/38/29/01/289382901.db2.gz CRIRANBSXBJPQD-JTQLQIEISA-N 1 2 328.303 3.124 20 5 EGBDLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000361275669 290276678 /nfs/dbraw/zinc/27/66/78/290276678.db2.gz PRLBSSYUPNKETE-CYBMUJFWSA-N 1 2 347.440 3.241 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361613374 297028692 /nfs/dbraw/zinc/02/86/92/297028692.db2.gz XONDVQNNBPVGKG-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361613374 297028693 /nfs/dbraw/zinc/02/86/93/297028693.db2.gz XONDVQNNBPVGKG-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC3)s1)CCC2 ZINC000414323852 309072961 /nfs/dbraw/zinc/07/29/61/309072961.db2.gz JRVODXPSOBHUJO-CQSZACIVSA-N 1 2 330.413 3.491 20 5 EGBDLO Cc1csc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000255570925 308054649 /nfs/dbraw/zinc/05/46/49/308054649.db2.gz DZNQZEZHEGRCID-XQRVVYSFSA-N 1 2 344.440 3.195 20 5 EGBDLO COc1cc(NCCCc2[nH+]cccc2C)c([N+](=O)[O-])cc1OC ZINC000295087985 308289912 /nfs/dbraw/zinc/28/99/12/308289912.db2.gz YTLXZAICXJKPKK-UHFFFAOYSA-N 1 2 331.372 3.360 20 5 EGBDLO CC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000295628024 308344972 /nfs/dbraw/zinc/34/49/72/308344972.db2.gz XBTUYHWZRNPUSC-UHFFFAOYSA-N 1 2 339.395 3.120 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000297765102 308562156 /nfs/dbraw/zinc/56/21/56/308562156.db2.gz PIZURXHXBPRAFY-CYBMUJFWSA-N 1 2 348.790 3.205 20 5 EGBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299470206 308676038 /nfs/dbraw/zinc/67/60/38/308676038.db2.gz UESLGBHLGBZMQI-PPYMECGQSA-N 1 2 326.356 3.085 20 5 EGBDLO CC(C)Oc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000412277668 308978613 /nfs/dbraw/zinc/97/86/13/308978613.db2.gz HMVKPWXFTUJCFH-HNNXBMFYSA-N 1 2 346.387 3.232 20 5 EGBDLO Cc1noc([C@@H]2CCCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000413069151 309014398 /nfs/dbraw/zinc/01/43/98/309014398.db2.gz LUSOYTBOKLOZQU-CYBMUJFWSA-N 1 2 339.355 3.218 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413313768 309026400 /nfs/dbraw/zinc/02/64/00/309026400.db2.gz HWPGOXBKPSZIAR-QMMMGPOBSA-N 1 2 329.282 3.398 20 5 EGBDLO Cc1cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc(C)[nH+]1 ZINC000420842010 309297628 /nfs/dbraw/zinc/29/76/28/309297628.db2.gz VRIVNUMDKRDZAT-UHFFFAOYSA-N 1 2 348.790 3.259 20 5 EGBDLO Cc1cccnc1OC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000429721507 309588355 /nfs/dbraw/zinc/58/83/55/309588355.db2.gz JXCKPSAGEIUFSM-UHFFFAOYSA-N 1 2 345.374 3.481 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])s1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000445970248 309952452 /nfs/dbraw/zinc/95/24/52/309952452.db2.gz YGAFZWYGWLXFGO-UHFFFAOYSA-N 1 2 346.343 3.366 20 5 EGBDLO C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448568524 310006591 /nfs/dbraw/zinc/00/65/91/310006591.db2.gz IWVBACVXCJESPY-TZMCWYRMSA-N 1 2 328.372 3.089 20 5 EGBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449563076 310072249 /nfs/dbraw/zinc/07/22/49/310072249.db2.gz QXFPCANCDSEYRJ-SNVBAGLBSA-N 1 2 340.330 3.263 20 5 EGBDLO CC(C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450012530 310098810 /nfs/dbraw/zinc/09/88/10/310098810.db2.gz QWMNCTIRSZHBKQ-AWEZNQCLSA-N 1 2 342.399 3.289 20 5 EGBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000450026915 310099590 /nfs/dbraw/zinc/09/95/90/310099590.db2.gz XDICVKOWIGGFQW-GFCCVEGCSA-N 1 2 328.372 3.041 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450487927 310125709 /nfs/dbraw/zinc/12/57/09/310125709.db2.gz NQDVJJJARDROSZ-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454624856 310320788 /nfs/dbraw/zinc/32/07/88/310320788.db2.gz WAWKYUNOBHYVNS-DYEKYZERSA-N 1 2 343.387 3.166 20 5 EGBDLO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC000456267281 310395672 /nfs/dbraw/zinc/39/56/72/310395672.db2.gz IPAIZJWNQHBKTH-OAHLLOKOSA-N 1 2 341.367 3.102 20 5 EGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCC1CCCCC1 ZINC000490831995 311154368 /nfs/dbraw/zinc/15/43/68/311154368.db2.gz ZUORYCAIRBJLRM-UHFFFAOYSA-N 1 2 345.443 3.256 20 5 EGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCC1CCCCC1 ZINC000490831995 311154371 /nfs/dbraw/zinc/15/43/71/311154371.db2.gz ZUORYCAIRBJLRM-UHFFFAOYSA-N 1 2 345.443 3.256 20 5 EGBDLO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000493493503 311385466 /nfs/dbraw/zinc/38/54/66/311385466.db2.gz MTNIRYGIGWENMQ-CEBVKENUSA-N 1 2 346.774 3.280 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000505601456 312027832 /nfs/dbraw/zinc/02/78/32/312027832.db2.gz FYDJKXHJRQFFRL-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO Cc1cc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000535772753 314072352 /nfs/dbraw/zinc/07/23/52/314072352.db2.gz RVZZDAQXBSSWRL-UHFFFAOYSA-N 1 2 342.399 3.173 20 5 EGBDLO COc1cc(C[N@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000535812508 314076793 /nfs/dbraw/zinc/07/67/93/314076793.db2.gz OBGGEZRMOJZXQG-UHFFFAOYSA-N 1 2 345.399 3.418 20 5 EGBDLO COc1cc(C[N@@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000535812508 314076794 /nfs/dbraw/zinc/07/67/94/314076794.db2.gz OBGGEZRMOJZXQG-UHFFFAOYSA-N 1 2 345.399 3.418 20 5 EGBDLO Cc1ccc2[nH+]c(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)cn2c1 ZINC000538657868 314261078 /nfs/dbraw/zinc/26/10/78/314261078.db2.gz XEWIJKMNBKOWBU-UHFFFAOYSA-N 1 2 333.351 3.463 20 5 EGBDLO CCOC(=O)c1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000539276661 314303920 /nfs/dbraw/zinc/30/39/20/314303920.db2.gz ICPNMNZXVQHDJQ-SNVBAGLBSA-N 1 2 335.385 3.079 20 5 EGBDLO COC(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000539669048 314327377 /nfs/dbraw/zinc/32/73/77/314327377.db2.gz FBLCRZPXMGQOPA-UHFFFAOYSA-N 1 2 334.397 3.365 20 5 EGBDLO Nc1nc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]c2ccccc12 ZINC000571136594 317154714 /nfs/dbraw/zinc/15/47/14/317154714.db2.gz ZKEMJVBYDLXVBS-CQSZACIVSA-N 1 2 349.394 3.335 20 5 EGBDLO CC[N@H+](CCCNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172701186 323288428 /nfs/dbraw/zinc/28/84/28/323288428.db2.gz PJDHRKMWCDAGQB-UHFFFAOYSA-N 1 2 341.411 3.170 20 5 EGBDLO CC[N@@H+](CCCNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000172701186 323288431 /nfs/dbraw/zinc/28/84/31/323288431.db2.gz PJDHRKMWCDAGQB-UHFFFAOYSA-N 1 2 341.411 3.170 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCS3)no2)cc1-n1cc[nH+]c1 ZINC000351084975 324165954 /nfs/dbraw/zinc/16/59/54/324165954.db2.gz QKJKPLQJPOGGRC-CYBMUJFWSA-N 1 2 343.368 3.399 20 5 EGBDLO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000576605384 324648400 /nfs/dbraw/zinc/64/84/00/324648400.db2.gz OZQZGHLWQUJNHK-LLVKDONJSA-N 1 2 336.392 3.074 20 5 EGBDLO Cc1cc(NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)ncc1[N+](=O)[O-] ZINC000581558854 325371846 /nfs/dbraw/zinc/37/18/46/325371846.db2.gz CVXVFCMDTYCMAS-UHFFFAOYSA-N 1 2 337.383 3.096 20 5 EGBDLO CC(C)c1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000183087394 455226690 /nfs/dbraw/zinc/22/66/90/455226690.db2.gz LWLKUNGOAGAHKX-LBPRGKRZSA-N 1 2 347.444 3.256 20 5 EGBDLO CC(C)c1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000183087394 455226693 /nfs/dbraw/zinc/22/66/93/455226693.db2.gz LWLKUNGOAGAHKX-LBPRGKRZSA-N 1 2 347.444 3.256 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)s1 ZINC000189967262 455262193 /nfs/dbraw/zinc/26/21/93/455262193.db2.gz DQOCYZJDVXORBG-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000008160336 453170713 /nfs/dbraw/zinc/17/07/13/453170713.db2.gz ATLCYXCBTNPKJL-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000008160336 453170728 /nfs/dbraw/zinc/17/07/28/453170728.db2.gz ATLCYXCBTNPKJL-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c(F)c1 ZINC000159140722 455354687 /nfs/dbraw/zinc/35/46/87/455354687.db2.gz YAIWDMGPIOPJTG-LJQANCHMSA-N 1 2 342.370 3.408 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c(F)c1 ZINC000159140722 455354692 /nfs/dbraw/zinc/35/46/92/455354692.db2.gz YAIWDMGPIOPJTG-LJQANCHMSA-N 1 2 342.370 3.408 20 5 EGBDLO C[N@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015300418 453566502 /nfs/dbraw/zinc/56/65/02/453566502.db2.gz DCXWHPHOFSTLKG-UHFFFAOYSA-N 1 2 332.331 3.232 20 5 EGBDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015300418 453566504 /nfs/dbraw/zinc/56/65/04/453566504.db2.gz DCXWHPHOFSTLKG-UHFFFAOYSA-N 1 2 332.331 3.232 20 5 EGBDLO CCn1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000616786148 460618030 /nfs/dbraw/zinc/61/80/30/460618030.db2.gz LZEFEEQQKRPFAT-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO CCn1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000616786148 460618037 /nfs/dbraw/zinc/61/80/37/460618037.db2.gz LZEFEEQQKRPFAT-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612403797 460620995 /nfs/dbraw/zinc/62/09/95/460620995.db2.gz CXXFTTJNSBUHOP-MRXNPFEDSA-N 1 2 332.331 3.093 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612403797 460621003 /nfs/dbraw/zinc/62/10/03/460621003.db2.gz CXXFTTJNSBUHOP-MRXNPFEDSA-N 1 2 332.331 3.093 20 5 EGBDLO Cc1ncsc1C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000066564325 453852195 /nfs/dbraw/zinc/85/21/95/453852195.db2.gz SALRYFABSBKOIZ-UHFFFAOYSA-N 1 2 345.384 3.042 20 5 EGBDLO Cc1ncsc1C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000066564325 453852198 /nfs/dbraw/zinc/85/21/98/453852198.db2.gz SALRYFABSBKOIZ-UHFFFAOYSA-N 1 2 345.384 3.042 20 5 EGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000081574659 453889227 /nfs/dbraw/zinc/88/92/27/453889227.db2.gz QOIFDXLOIAIEQG-ACJLOTCBSA-N 1 2 325.368 3.226 20 5 EGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000081574659 453889232 /nfs/dbraw/zinc/88/92/32/453889232.db2.gz QOIFDXLOIAIEQG-ACJLOTCBSA-N 1 2 325.368 3.226 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)s1 ZINC000054389784 453927558 /nfs/dbraw/zinc/92/75/58/453927558.db2.gz SGCQYPYTRYJGCI-CQSZACIVSA-N 1 2 333.413 3.142 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c2c(c1)COCO2 ZINC000084338996 453984650 /nfs/dbraw/zinc/98/46/50/453984650.db2.gz ITTWZKNUIJDTGT-MRXNPFEDSA-N 1 2 329.356 3.127 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c2c(c1)COCO2 ZINC000084338996 453984653 /nfs/dbraw/zinc/98/46/53/453984653.db2.gz ITTWZKNUIJDTGT-MRXNPFEDSA-N 1 2 329.356 3.127 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477115 454029990 /nfs/dbraw/zinc/02/99/90/454029990.db2.gz PDEKHXVQNZXYEN-RYUDHWBXSA-N 1 2 346.387 3.205 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477115 454029994 /nfs/dbraw/zinc/02/99/94/454029994.db2.gz PDEKHXVQNZXYEN-RYUDHWBXSA-N 1 2 346.387 3.205 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000069447699 454107148 /nfs/dbraw/zinc/10/71/48/454107148.db2.gz FWMSHDQEDZIMPM-HNNXBMFYSA-N 1 2 333.413 3.142 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000094101353 454186323 /nfs/dbraw/zinc/18/63/23/454186323.db2.gz TXURVEGYARPVSN-AWEZNQCLSA-N 1 2 342.399 3.263 20 5 EGBDLO CC(C)N(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC000130515927 454202402 /nfs/dbraw/zinc/20/24/02/454202402.db2.gz PIQRPYIBOYEVFK-UHFFFAOYSA-N 1 2 333.432 3.205 20 5 EGBDLO CC(C)N(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC000130515927 454202404 /nfs/dbraw/zinc/20/24/04/454202404.db2.gz PIQRPYIBOYEVFK-UHFFFAOYSA-N 1 2 333.432 3.205 20 5 EGBDLO Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000047248358 454345890 /nfs/dbraw/zinc/34/58/90/454345890.db2.gz IIPHDITXLYYABD-UHFFFAOYSA-N 1 2 336.351 3.400 20 5 EGBDLO CC[NH+](CC)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000092548817 454585034 /nfs/dbraw/zinc/58/50/34/454585034.db2.gz NMKATHQTGSCUEH-KRWDZBQOSA-N 1 2 343.383 3.322 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134849246 454597081 /nfs/dbraw/zinc/59/70/81/454597081.db2.gz FYPSNEQYRLMPTL-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO Cc1ccc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000080573856 454601480 /nfs/dbraw/zinc/60/14/80/454601480.db2.gz RMWBKTISIIPYEW-AWEZNQCLSA-N 1 2 342.399 3.135 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCOC[C@@H]3C3CC3)cs2)c1 ZINC000093645219 454727088 /nfs/dbraw/zinc/72/70/88/454727088.db2.gz QPNSVBZUVWTXOV-MRXNPFEDSA-N 1 2 345.424 3.329 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCOC[C@@H]3C3CC3)cs2)c1 ZINC000093645219 454727090 /nfs/dbraw/zinc/72/70/90/454727090.db2.gz QPNSVBZUVWTXOV-MRXNPFEDSA-N 1 2 345.424 3.329 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000153566400 454807388 /nfs/dbraw/zinc/80/73/88/454807388.db2.gz YXTMTZMZAKLKMB-UHFFFAOYSA-N 1 2 333.779 3.251 20 5 EGBDLO CC[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000139830061 454811775 /nfs/dbraw/zinc/81/17/75/454811775.db2.gz KFIAGQOQDKRRBX-VIFPVBQESA-N 1 2 326.154 3.039 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000126180801 454876166 /nfs/dbraw/zinc/87/61/66/454876166.db2.gz QTMRGTPYCJWKGC-IBGZPJMESA-N 1 2 342.395 3.356 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000126180801 454876170 /nfs/dbraw/zinc/87/61/70/454876170.db2.gz QTMRGTPYCJWKGC-IBGZPJMESA-N 1 2 342.395 3.356 20 5 EGBDLO C[S@@](=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154322044 454885026 /nfs/dbraw/zinc/88/50/26/454885026.db2.gz AVDSRALQMDEPST-DEOSSOPVSA-N 1 2 344.436 3.497 20 5 EGBDLO C[S@@](=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000154322044 454885030 /nfs/dbraw/zinc/88/50/30/454885030.db2.gz AVDSRALQMDEPST-DEOSSOPVSA-N 1 2 344.436 3.497 20 5 EGBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127517667 454973559 /nfs/dbraw/zinc/97/35/59/454973559.db2.gz OGLKJKAQRBABAP-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127517667 454973561 /nfs/dbraw/zinc/97/35/61/454973561.db2.gz OGLKJKAQRBABAP-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO COc1c(C)c[nH+]c(COc2ccc(C(C)=O)cc2[N+](=O)[O-])c1C ZINC000119040599 455121615 /nfs/dbraw/zinc/12/16/15/455121615.db2.gz CBKNNEYYRPKRHE-UHFFFAOYSA-N 1 2 330.340 3.397 20 5 EGBDLO O=C(C[N@@H+]1CC[C@@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264451824 455216502 /nfs/dbraw/zinc/21/65/02/455216502.db2.gz NANFIUYTGRMSBA-CYBMUJFWSA-N 1 2 343.358 3.162 20 5 EGBDLO O=C(C[N@H+]1CC[C@@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264451824 455216504 /nfs/dbraw/zinc/21/65/04/455216504.db2.gz NANFIUYTGRMSBA-CYBMUJFWSA-N 1 2 343.358 3.162 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)c3ccccc3)co2)cc1 ZINC000183627585 455314932 /nfs/dbraw/zinc/31/49/32/455314932.db2.gz GOQPQWXZFLCOHE-KRWDZBQOSA-N 1 2 339.351 3.073 20 5 EGBDLO Cc1cc(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000266835595 455460401 /nfs/dbraw/zinc/46/04/01/455460401.db2.gz JOKUYHLBMKQXJY-STQMWFEESA-N 1 2 343.387 3.050 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c(Cl)c1 ZINC000182349896 455494569 /nfs/dbraw/zinc/49/45/69/455494569.db2.gz RUXJSQGLJODIGX-QGZVFWFLSA-N 1 2 332.787 3.340 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c(Cl)c1 ZINC000182349896 455494571 /nfs/dbraw/zinc/49/45/71/455494571.db2.gz RUXJSQGLJODIGX-QGZVFWFLSA-N 1 2 332.787 3.340 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000182730045 455577051 /nfs/dbraw/zinc/57/70/51/455577051.db2.gz OETBXZFADDZJBK-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(cccc2OC)C1 ZINC000182730045 455577056 /nfs/dbraw/zinc/57/70/56/455577056.db2.gz OETBXZFADDZJBK-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283969846 455618218 /nfs/dbraw/zinc/61/82/18/455618218.db2.gz FHZSOJFKGYBHTP-HNNXBMFYSA-N 1 2 330.344 3.481 20 5 EGBDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283969846 455618225 /nfs/dbraw/zinc/61/82/25/455618225.db2.gz FHZSOJFKGYBHTP-HNNXBMFYSA-N 1 2 330.344 3.481 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000192495851 455631346 /nfs/dbraw/zinc/63/13/46/455631346.db2.gz CMEDCGWPTIVVQO-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1n1cc[nH+]c1 ZINC000268298597 455643146 /nfs/dbraw/zinc/64/31/46/455643146.db2.gz XIFULWBZVRXBNX-CXAGYDPISA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000277725681 455646824 /nfs/dbraw/zinc/64/68/24/455646824.db2.gz STLQJWUHSUFCJZ-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000277725681 455646829 /nfs/dbraw/zinc/64/68/29/455646829.db2.gz STLQJWUHSUFCJZ-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000268452497 455687118 /nfs/dbraw/zinc/68/71/18/455687118.db2.gz BAPYDXNJQJMECR-UHFFFAOYSA-N 1 2 334.376 3.384 20 5 EGBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000268452497 455687120 /nfs/dbraw/zinc/68/71/20/455687120.db2.gz BAPYDXNJQJMECR-UHFFFAOYSA-N 1 2 334.376 3.384 20 5 EGBDLO COCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193608982 455767114 /nfs/dbraw/zinc/76/71/14/455767114.db2.gz RFENQZFFWWCPET-UHFFFAOYSA-N 1 2 345.355 3.152 20 5 EGBDLO COCC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193608982 455767117 /nfs/dbraw/zinc/76/71/17/455767117.db2.gz RFENQZFFWWCPET-UHFFFAOYSA-N 1 2 345.355 3.152 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194292732 455824692 /nfs/dbraw/zinc/82/46/92/455824692.db2.gz MKZMLHNJCTYMOX-UHFFFAOYSA-N 1 2 338.367 3.283 20 5 EGBDLO CC(C)c1nnc([C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232319 455923364 /nfs/dbraw/zinc/92/33/64/455923364.db2.gz WDVUMSZNRXSEMC-SWLSCSKDSA-N 1 2 346.387 3.236 20 5 EGBDLO CC(C)c1nnc([C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232319 455923371 /nfs/dbraw/zinc/92/33/71/455923371.db2.gz WDVUMSZNRXSEMC-SWLSCSKDSA-N 1 2 346.387 3.236 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)co2)cc1 ZINC000270610732 455996667 /nfs/dbraw/zinc/99/66/67/455996667.db2.gz NHGQXWBFABHPRY-HOTGVXAUSA-N 1 2 329.356 3.003 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)co2)cc1 ZINC000270610732 455996671 /nfs/dbraw/zinc/99/66/71/455996671.db2.gz NHGQXWBFABHPRY-HOTGVXAUSA-N 1 2 329.356 3.003 20 5 EGBDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332434589 456076982 /nfs/dbraw/zinc/07/69/82/456076982.db2.gz AHTLSNPJIGBCFU-QWQRMKEZSA-N 1 2 345.443 3.036 20 5 EGBDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332434589 456076985 /nfs/dbraw/zinc/07/69/85/456076985.db2.gz AHTLSNPJIGBCFU-QWQRMKEZSA-N 1 2 345.443 3.036 20 5 EGBDLO Cn1cnnc1C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000290148969 456253156 /nfs/dbraw/zinc/25/31/56/456253156.db2.gz KYJRVJQRWRTXBF-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cn1cnnc1C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000290148969 456253164 /nfs/dbraw/zinc/25/31/64/456253164.db2.gz KYJRVJQRWRTXBF-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cc1cccc([C@@H](CNc2sccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000301930049 456253456 /nfs/dbraw/zinc/25/34/56/456253456.db2.gz KALGROYQAZPNKM-MRXNPFEDSA-N 1 2 347.440 3.450 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000275819428 456322927 /nfs/dbraw/zinc/32/29/27/456322927.db2.gz JJQGBEJMENIGFT-UHFFFAOYSA-N 1 2 342.399 3.461 20 5 EGBDLO Cc1c(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cccc1[N+](=O)[O-] ZINC000302731849 456385885 /nfs/dbraw/zinc/38/58/85/456385885.db2.gz TVNDFDONVNWDCH-UHFFFAOYSA-N 1 2 340.387 3.410 20 5 EGBDLO CO[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282123034 456418573 /nfs/dbraw/zinc/41/85/73/456418573.db2.gz AWTKYGFZYPBOFR-PWSUYJOCSA-N 1 2 343.221 3.357 20 5 EGBDLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282123034 456418580 /nfs/dbraw/zinc/41/85/80/456418580.db2.gz AWTKYGFZYPBOFR-PWSUYJOCSA-N 1 2 343.221 3.357 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000343246338 456479717 /nfs/dbraw/zinc/47/97/17/456479717.db2.gz DYFRMQRCTJKCSO-CYBMUJFWSA-N 1 2 338.314 3.493 20 5 EGBDLO CCC(=O)c1ccc(N[C@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000343275968 456501343 /nfs/dbraw/zinc/50/13/43/456501343.db2.gz UNUYLTLJSXVLKN-INIZCTEOSA-N 1 2 328.372 3.484 20 5 EGBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339067427 456924637 /nfs/dbraw/zinc/92/46/37/456924637.db2.gz YEEWAVOMYWVUIK-LLVKDONJSA-N 1 2 329.356 3.110 20 5 EGBDLO C[C@@H](C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)CO)c1ccccc1 ZINC000339201340 456989009 /nfs/dbraw/zinc/98/90/09/456989009.db2.gz QYZLHSLEBHUXFK-LSDHHAIUSA-N 1 2 344.411 3.287 20 5 EGBDLO C[C@@H](C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)CO)c1ccccc1 ZINC000339201340 456989013 /nfs/dbraw/zinc/98/90/13/456989013.db2.gz QYZLHSLEBHUXFK-LSDHHAIUSA-N 1 2 344.411 3.287 20 5 EGBDLO COc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1C ZINC000356521776 457033608 /nfs/dbraw/zinc/03/36/08/457033608.db2.gz KIVVHMVCEZQFTR-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1C ZINC000356521776 457033610 /nfs/dbraw/zinc/03/36/10/457033610.db2.gz KIVVHMVCEZQFTR-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000330886694 457100240 /nfs/dbraw/zinc/10/02/40/457100240.db2.gz DXLKTJKKQOPRTM-INIZCTEOSA-N 1 2 333.432 3.064 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000330886694 457100244 /nfs/dbraw/zinc/10/02/44/457100244.db2.gz DXLKTJKKQOPRTM-INIZCTEOSA-N 1 2 333.432 3.064 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000342154208 457139430 /nfs/dbraw/zinc/13/94/30/457139430.db2.gz MMKFJTIKOZHZQG-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO CC(C)(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000339846572 457308262 /nfs/dbraw/zinc/30/82/62/457308262.db2.gz KYSSFYGSOHLGBP-ZDUSSCGKSA-N 1 2 342.399 3.002 20 5 EGBDLO COCc1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352703487 457544739 /nfs/dbraw/zinc/54/47/39/457544739.db2.gz BCEVAZOYGYRZCZ-UHFFFAOYSA-N 1 2 328.368 3.136 20 5 EGBDLO COCc1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352703487 457544745 /nfs/dbraw/zinc/54/47/45/457544745.db2.gz BCEVAZOYGYRZCZ-UHFFFAOYSA-N 1 2 328.368 3.136 20 5 EGBDLO CNc1c(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cccc1[N+](=O)[O-] ZINC000361214567 457648151 /nfs/dbraw/zinc/64/81/51/457648151.db2.gz WLRUBAXVNADMPN-UHFFFAOYSA-N 1 2 337.339 3.279 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374873985 457724488 /nfs/dbraw/zinc/72/44/88/457724488.db2.gz JESMHAALZAAFPV-INIZCTEOSA-N 1 2 345.786 3.035 20 5 EGBDLO Nc1c(F)c(NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000443521245 457775859 /nfs/dbraw/zinc/77/58/59/457775859.db2.gz VBUZDAJKDQNXLH-UHFFFAOYSA-N 1 2 327.319 3.114 20 5 EGBDLO COc1cccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000443912983 457822798 /nfs/dbraw/zinc/82/27/98/457822798.db2.gz ISCQHNRHHZZIOT-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO COc1cccc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)c1[N+](=O)[O-] ZINC000443912983 457822802 /nfs/dbraw/zinc/82/28/02/457822802.db2.gz ISCQHNRHHZZIOT-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000358280415 457906959 /nfs/dbraw/zinc/90/69/59/457906959.db2.gz UDQXZVYNHHCTID-JTQLQIEISA-N 1 2 349.774 3.034 20 5 EGBDLO COc1cccc2c1CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000444691493 457941953 /nfs/dbraw/zinc/94/19/53/457941953.db2.gz ZMFREQYHOAEXSV-UHFFFAOYSA-N 1 2 338.367 3.038 20 5 EGBDLO COc1cccc2c1CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000444691493 457941959 /nfs/dbraw/zinc/94/19/59/457941959.db2.gz ZMFREQYHOAEXSV-UHFFFAOYSA-N 1 2 338.367 3.038 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000369366594 458191540 /nfs/dbraw/zinc/19/15/40/458191540.db2.gz PTNIEXPAUXEPPD-UHFFFAOYSA-N 1 2 343.387 3.100 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429145545 458280897 /nfs/dbraw/zinc/28/08/97/458280897.db2.gz YHPFYDABCHKWRE-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429145545 458280904 /nfs/dbraw/zinc/28/09/04/458280904.db2.gz YHPFYDABCHKWRE-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1(C2CC2)CCC1 ZINC000447806957 458345633 /nfs/dbraw/zinc/34/56/33/458345633.db2.gz PEEQVNWTESRMDD-UHFFFAOYSA-N 1 2 345.443 3.419 20 5 EGBDLO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436861479 458395494 /nfs/dbraw/zinc/39/54/94/458395494.db2.gz BMUJBUSMXHIFSG-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430219428 458423022 /nfs/dbraw/zinc/42/30/22/458423022.db2.gz NVOURMUVDNNYQS-UHFFFAOYSA-N 1 2 334.372 3.153 20 5 EGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430219428 458423025 /nfs/dbraw/zinc/42/30/25/458423025.db2.gz NVOURMUVDNNYQS-UHFFFAOYSA-N 1 2 334.372 3.153 20 5 EGBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411698 458485521 /nfs/dbraw/zinc/48/55/21/458485521.db2.gz GVFUKMKDXXEPCS-DYVFJYSZSA-N 1 2 340.383 3.011 20 5 EGBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411698 458485527 /nfs/dbraw/zinc/48/55/27/458485527.db2.gz GVFUKMKDXXEPCS-DYVFJYSZSA-N 1 2 340.383 3.011 20 5 EGBDLO Cn1c2cc(F)ccc2[nH+]c1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000431421594 458570786 /nfs/dbraw/zinc/57/07/86/458570786.db2.gz KRXXXJPFQOHCOH-UHFFFAOYSA-N 1 2 326.331 3.183 20 5 EGBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])cc1Br ZINC000431426610 458571765 /nfs/dbraw/zinc/57/17/65/458571765.db2.gz JHOWFPVIZFROLZ-UHFFFAOYSA-N 1 2 338.161 3.373 20 5 EGBDLO CCC1(CC)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000464570860 458761171 /nfs/dbraw/zinc/76/11/71/458761171.db2.gz NUDKRLHPDITOLZ-UHFFFAOYSA-N 1 2 337.445 3.141 20 5 EGBDLO CCC1(CC)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000464570860 458761176 /nfs/dbraw/zinc/76/11/76/458761176.db2.gz NUDKRLHPDITOLZ-UHFFFAOYSA-N 1 2 337.445 3.141 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000531842343 458987446 /nfs/dbraw/zinc/98/74/46/458987446.db2.gz OCAXMRAOLRFZRW-OAHLLOKOSA-N 1 2 346.387 3.408 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000590153425 459094416 /nfs/dbraw/zinc/09/44/16/459094416.db2.gz JYWPQDGZIYGEND-AWEZNQCLSA-N 1 2 349.456 3.303 20 5 EGBDLO C[N@@H+]1CCO[C@@H](CSc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000521230653 459133997 /nfs/dbraw/zinc/13/39/97/459133997.db2.gz LLEGLAKZHZLCHM-SECBINFHSA-N 1 2 337.228 3.324 20 5 EGBDLO C[N@H+]1CCO[C@@H](CSc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000521230653 459134003 /nfs/dbraw/zinc/13/40/03/459134003.db2.gz LLEGLAKZHZLCHM-SECBINFHSA-N 1 2 337.228 3.324 20 5 EGBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595481493 459319600 /nfs/dbraw/zinc/31/96/00/459319600.db2.gz OJYXAKWFEBPZQG-CYBMUJFWSA-N 1 2 339.779 3.364 20 5 EGBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595481493 459319605 /nfs/dbraw/zinc/31/96/05/459319605.db2.gz OJYXAKWFEBPZQG-CYBMUJFWSA-N 1 2 339.779 3.364 20 5 EGBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CC)C(=O)OCC ZINC000483435859 459370090 /nfs/dbraw/zinc/37/00/90/459370090.db2.gz DOOHEZTYJFEVSO-HNNXBMFYSA-N 1 2 326.368 3.288 20 5 EGBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CC)C(=O)OCC ZINC000483435859 459370092 /nfs/dbraw/zinc/37/00/92/459370092.db2.gz DOOHEZTYJFEVSO-HNNXBMFYSA-N 1 2 326.368 3.288 20 5 EGBDLO CN(C(=O)C[N@@H+]1CC[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595701219 459404034 /nfs/dbraw/zinc/40/40/34/459404034.db2.gz DWOVORWPUCBNTM-KRWDZBQOSA-N 1 2 343.358 3.144 20 5 EGBDLO CN(C(=O)C[N@H+]1CC[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595701219 459404040 /nfs/dbraw/zinc/40/40/40/459404040.db2.gz DWOVORWPUCBNTM-KRWDZBQOSA-N 1 2 343.358 3.144 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595807999 459448975 /nfs/dbraw/zinc/44/89/75/459448975.db2.gz NYLYNIODQHBKMB-CQSZACIVSA-N 1 2 329.404 3.154 20 5 EGBDLO CCOC(=O)Cc1ccc(NCCc2cc[nH+]cc2C)c([N+](=O)[O-])c1 ZINC000591923730 459486782 /nfs/dbraw/zinc/48/67/82/459486782.db2.gz GZESBCGZZRYCRJ-UHFFFAOYSA-N 1 2 343.383 3.058 20 5 EGBDLO Cc1nnc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000573581584 459700494 /nfs/dbraw/zinc/70/04/94/459700494.db2.gz JPIYRBVDBZXZOU-ZETCQYMHSA-N 1 2 330.266 3.156 20 5 EGBDLO Cc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1[N+](=O)[O-] ZINC000544942805 459793497 /nfs/dbraw/zinc/79/34/97/459793497.db2.gz GOYRBPIMZYNZAD-UHFFFAOYSA-N 1 2 345.365 3.362 20 5 EGBDLO Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1[N+](=O)[O-] ZINC000544942805 459793501 /nfs/dbraw/zinc/79/35/01/459793501.db2.gz GOYRBPIMZYNZAD-UHFFFAOYSA-N 1 2 345.365 3.362 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000609322560 459942829 /nfs/dbraw/zinc/94/28/29/459942829.db2.gz BJRBNAOJIYIXEK-UHFFFAOYSA-N 1 2 345.424 3.352 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000609322560 459942835 /nfs/dbraw/zinc/94/28/35/459942835.db2.gz BJRBNAOJIYIXEK-UHFFFAOYSA-N 1 2 345.424 3.352 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H](NCC[N@H+]2CC=CCC2)C(F)(F)F)cc1 ZINC000593711213 459959480 /nfs/dbraw/zinc/95/94/80/459959480.db2.gz STXYDDUVSHQAKR-AWEZNQCLSA-N 1 2 329.322 3.050 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H](NCC[N@@H+]2CC=CCC2)C(F)(F)F)cc1 ZINC000593711213 459959492 /nfs/dbraw/zinc/95/94/92/459959492.db2.gz STXYDDUVSHQAKR-AWEZNQCLSA-N 1 2 329.322 3.050 20 5 EGBDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000575333472 459962491 /nfs/dbraw/zinc/96/24/91/459962491.db2.gz PJPIFUDMHGHDOR-QGZVFWFLSA-N 1 2 346.358 3.123 20 5 EGBDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000575333472 459962498 /nfs/dbraw/zinc/96/24/98/459962498.db2.gz PJPIFUDMHGHDOR-QGZVFWFLSA-N 1 2 346.358 3.123 20 5 EGBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000589107463 460031699 /nfs/dbraw/zinc/03/16/99/460031699.db2.gz BLPYSLXHQIOUKI-UHFFFAOYSA-N 1 2 347.806 3.063 20 5 EGBDLO CCOC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)o1 ZINC000589198064 460052061 /nfs/dbraw/zinc/05/20/61/460052061.db2.gz SIVQFZBWAFMTEG-UHFFFAOYSA-N 1 2 348.355 3.053 20 5 EGBDLO CO[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1C ZINC000602683447 460063954 /nfs/dbraw/zinc/06/39/54/460063954.db2.gz AZBRCHKZIYVQAO-KWQFWETISA-N 1 2 349.250 3.276 20 5 EGBDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1C ZINC000602683447 460063957 /nfs/dbraw/zinc/06/39/57/460063957.db2.gz AZBRCHKZIYVQAO-KWQFWETISA-N 1 2 349.250 3.276 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597856991 460082955 /nfs/dbraw/zinc/08/29/55/460082955.db2.gz IQPCWENJYLXEPF-UHFFFAOYSA-N 1 2 334.401 3.092 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597856991 460082959 /nfs/dbraw/zinc/08/29/59/460082959.db2.gz IQPCWENJYLXEPF-UHFFFAOYSA-N 1 2 334.401 3.092 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(OC)nc1 ZINC000611209144 460308221 /nfs/dbraw/zinc/30/82/21/460308221.db2.gz ICLSDUPSCQXWDO-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000611209144 460308225 /nfs/dbraw/zinc/30/82/25/460308225.db2.gz ICLSDUPSCQXWDO-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO COc1cccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611252131 460317697 /nfs/dbraw/zinc/31/76/97/460317697.db2.gz IEOYYLVKZOIWDV-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1cccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000611252131 460317700 /nfs/dbraw/zinc/31/77/00/460317700.db2.gz IEOYYLVKZOIWDV-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO CC(C)N(CC1CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603756151 460339231 /nfs/dbraw/zinc/33/92/31/460339231.db2.gz TXEHUIKASIKFMK-UHFFFAOYSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1ccc([C@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000604433456 460427562 /nfs/dbraw/zinc/42/75/62/460427562.db2.gz FFLMTOJCPWFESW-INIZCTEOSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601241004 460762463 /nfs/dbraw/zinc/76/24/63/460762463.db2.gz UPDRNQBVVPKDAJ-UHFFFAOYSA-N 1 2 344.440 3.464 20 5 EGBDLO COc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000192679495 536526677 /nfs/dbraw/zinc/52/66/77/536526677.db2.gz RABCLOQDKYTQTE-UHFFFAOYSA-N 1 2 345.355 3.185 20 5 EGBDLO CC(=O)c1ccc(NC[C@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])c1 ZINC000371257157 547798672 /nfs/dbraw/zinc/79/86/72/547798672.db2.gz WOBVPWNFIGTGDK-CQSZACIVSA-N 1 2 328.372 3.292 20 5 EGBDLO CCC1(O)CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000742171216 576755244 /nfs/dbraw/zinc/75/52/44/576755244.db2.gz IFZAHFAAPSKLJR-UHFFFAOYSA-N 1 2 337.401 3.066 20 5 EGBDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000068880608 1292221695 /nfs/dbraw/zinc/22/16/95/1292221695.db2.gz XMBFLCKMMYZATJ-HNNXBMFYSA-N 1 2 330.388 3.211 20 5 EGBDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000068880608 1292221706 /nfs/dbraw/zinc/22/17/06/1292221706.db2.gz XMBFLCKMMYZATJ-HNNXBMFYSA-N 1 2 330.388 3.211 20 5 EGBDLO Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(N(C)C)[nH+]1 ZINC000754374993 1300132369 /nfs/dbraw/zinc/13/23/69/1300132369.db2.gz GBEPZGADJBQMOE-NSHDSACASA-N 1 2 346.362 3.246 20 5 EGBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000764785910 1302136107 /nfs/dbraw/zinc/13/61/07/1302136107.db2.gz LOARFAYIPLBVAM-LLVKDONJSA-N 1 2 327.296 3.292 20 5 EGBDLO Cc1nn(C[N@@H+]2CCOC3(CCCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765038246 1302189037 /nfs/dbraw/zinc/18/90/37/1302189037.db2.gz JQVVVAUJSKPJLK-UHFFFAOYSA-N 1 2 344.415 3.246 20 5 EGBDLO Cc1nn(C[N@H+]2CCOC3(CCCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765038246 1302189044 /nfs/dbraw/zinc/18/90/44/1302189044.db2.gz JQVVVAUJSKPJLK-UHFFFAOYSA-N 1 2 344.415 3.246 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])ccc1SC ZINC000885973474 1303304681 /nfs/dbraw/zinc/30/46/81/1303304681.db2.gz TVDKELKCJGXMNI-UHFFFAOYSA-N 1 2 333.413 3.352 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])ccc1SC ZINC000885973474 1303304689 /nfs/dbraw/zinc/30/46/89/1303304689.db2.gz TVDKELKCJGXMNI-UHFFFAOYSA-N 1 2 333.413 3.352 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000774834062 1303864593 /nfs/dbraw/zinc/86/45/93/1303864593.db2.gz TUHHXNQOEUYVIO-OAHLLOKOSA-N 1 2 328.328 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000774834062 1303864599 /nfs/dbraw/zinc/86/45/99/1303864599.db2.gz TUHHXNQOEUYVIO-OAHLLOKOSA-N 1 2 328.328 3.235 20 5 EGBDLO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000788540667 1305965530 /nfs/dbraw/zinc/96/55/30/1305965530.db2.gz TUIQWYHDPVUWCI-ROUUACIJSA-N 1 2 330.384 3.148 20 5 EGBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000790786740 1308865172 /nfs/dbraw/zinc/86/51/72/1308865172.db2.gz YWBRIARUIBOYPJ-UHFFFAOYSA-N 1 2 348.721 3.216 20 5 EGBDLO Nc1ccc([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000800862860 1310821079 /nfs/dbraw/zinc/82/10/79/1310821079.db2.gz XTUXCNVPAFLLNA-UHFFFAOYSA-N 1 2 329.404 3.070 20 5 EGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000800866312 1310822309 /nfs/dbraw/zinc/82/23/09/1310822309.db2.gz DVJSOBBYSFYOLR-GOSISDBHSA-N 1 2 339.395 3.000 20 5 EGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000800866312 1310822317 /nfs/dbraw/zinc/82/23/17/1310822317.db2.gz DVJSOBBYSFYOLR-GOSISDBHSA-N 1 2 339.395 3.000 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1nncn1C)C(C)C ZINC000903066544 1317646190 /nfs/dbraw/zinc/64/61/90/1317646190.db2.gz VUNJSHJKWFRYLK-IAQYHMDHSA-N 1 2 349.460 3.493 20 5 EGBDLO CCOC(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000809743079 1317887265 /nfs/dbraw/zinc/88/72/65/1317887265.db2.gz KYKNSJIFGBEEGW-UHFFFAOYSA-N 1 2 338.747 3.308 20 5 EGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1C ZINC000809985941 1317931308 /nfs/dbraw/zinc/93/13/08/1317931308.db2.gz XAOPGPLLHSVRCD-LDYMZIIASA-N 1 2 347.198 3.285 20 5 EGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1C ZINC000809985941 1317931318 /nfs/dbraw/zinc/93/13/18/1317931318.db2.gz XAOPGPLLHSVRCD-LDYMZIIASA-N 1 2 347.198 3.285 20 5 EGBDLO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c[nH+]1 ZINC000839432251 1320919214 /nfs/dbraw/zinc/91/92/14/1320919214.db2.gz PNRUADBBQKDIIL-UHFFFAOYSA-N 1 2 333.775 3.498 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c(F)c1 ZINC000859590109 1329028634 /nfs/dbraw/zinc/02/86/34/1329028634.db2.gz XGDFKISTJWXXFB-SFHVURJKSA-N 1 2 348.349 3.357 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c(F)c1 ZINC000859590109 1329028641 /nfs/dbraw/zinc/02/86/41/1329028641.db2.gz XGDFKISTJWXXFB-SFHVURJKSA-N 1 2 348.349 3.357 20 5 EGBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000864048621 1329594783 /nfs/dbraw/zinc/59/47/83/1329594783.db2.gz MVWGUFFVTTUVIX-KMKOMSMNSA-N 1 2 334.335 3.432 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c2ncnc(NCCNc3cccc[nH+]3)c2c1 ZINC001324249548 1387567348 /nfs/dbraw/zinc/56/73/48/1387567348.db2.gz DVPJLXVZBSCODY-UHFFFAOYSA-N 1 2 344.762 3.110 20 5 EGBDLO CN1CC[NH+](Cc2ccccc2Nc2ccccc2[N+](=O)[O-])CC1 ZINC001206164967 1370977846 /nfs/dbraw/zinc/97/78/46/1370977846.db2.gz VZFWFCNDYOQLQV-UHFFFAOYSA-N 1 2 326.400 3.086 20 5 EGBDLO OCCNc1ncc(Nc2ccc3[nH+]c4ccccc4cc3c2)cn1 ZINC001210902398 1372450174 /nfs/dbraw/zinc/45/01/74/1372450174.db2.gz MHAGFIIWLPKOOT-UHFFFAOYSA-N 1 2 331.379 3.326 20 5 EGBDLO O=[N+]([O-])c1cnc(NCCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC001158146363 1381141814 /nfs/dbraw/zinc/14/18/14/1381141814.db2.gz ZOPSILPQXVZFFU-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(NCc3c[nH+]cn3CC3CCC3)cnc2c1 ZINC001161531956 1382432475 /nfs/dbraw/zinc/43/24/75/1382432475.db2.gz WKOMNAAGFOMBNL-UHFFFAOYSA-N 1 2 338.371 3.147 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC001332114590 1389992361 /nfs/dbraw/zinc/99/23/61/1389992361.db2.gz SMYIGNYCWYWCFA-UHFFFAOYSA-N 1 2 348.428 3.454 20 5 EGBDLO Cn1c[nH+]cc1CCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001343720230 1390733110 /nfs/dbraw/zinc/73/31/10/1390733110.db2.gz WHNOOYTTZNWSQS-UHFFFAOYSA-N 1 2 345.380 3.333 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nnc([C@@H]3CCCCO3)o2)ccc1-n1cc[nH+]c1 ZINC001345577259 1390866712 /nfs/dbraw/zinc/86/67/12/1390866712.db2.gz FMDWTGBRJDGLBE-AWEZNQCLSA-N 1 2 341.327 3.072 20 5 EGBDLO CC(C)(C)[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001353977105 1392111060 /nfs/dbraw/zinc/11/10/60/1392111060.db2.gz FXYUUNRSVVDHQH-OAHLLOKOSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000368563259 168373278 /nfs/dbraw/zinc/37/32/78/168373278.db2.gz SSSVMHKWDOVOGH-PXAZEXFGSA-N 1 2 328.372 3.081 20 5 EGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000031807531 212748550 /nfs/dbraw/zinc/74/85/50/212748550.db2.gz MJNMMMXTPAPAGK-CYBMUJFWSA-N 1 2 336.351 3.272 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802185 203245396 /nfs/dbraw/zinc/24/53/96/203245396.db2.gz QWQXANHKEWSNEP-JTQLQIEISA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H]1SCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000118420556 204275548 /nfs/dbraw/zinc/27/55/48/204275548.db2.gz FMWGDBJSUTZRNI-UWVGGRQHSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000118420556 204275553 /nfs/dbraw/zinc/27/55/53/204275553.db2.gz FMWGDBJSUTZRNI-UWVGGRQHSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128011761 205129454 /nfs/dbraw/zinc/12/94/54/205129454.db2.gz WQCQJMMXUCRSIG-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128011761 205129458 /nfs/dbraw/zinc/12/94/58/205129458.db2.gz WQCQJMMXUCRSIG-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131757880 205302195 /nfs/dbraw/zinc/30/21/95/205302195.db2.gz UBEXPBXJTUBAQF-UHFFFAOYSA-N 1 2 329.356 3.348 20 5 EGBDLO C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000353346813 141291874 /nfs/dbraw/zinc/29/18/74/141291874.db2.gz ICHWJDZXAITJIE-LLVKDONJSA-N 1 2 325.328 3.125 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000353351258 141293455 /nfs/dbraw/zinc/29/34/55/141293455.db2.gz JXCSOBFSMLLOOU-ZDUSSCGKSA-N 1 2 349.778 3.255 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000353441159 141296448 /nfs/dbraw/zinc/29/64/48/141296448.db2.gz AIRPVAAZDXCEBW-OAHLLOKOSA-N 1 2 328.397 3.269 20 5 EGBDLO CCOC(=O)c1coc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000354609682 141314140 /nfs/dbraw/zinc/31/41/40/141314140.db2.gz ZONVLWIJWWQPMR-UHFFFAOYSA-N 1 2 338.747 3.308 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120415317 152274299 /nfs/dbraw/zinc/27/42/99/152274299.db2.gz NMKPNWWHTHALLU-UHFFFAOYSA-N 1 2 326.356 3.495 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121197750 152332785 /nfs/dbraw/zinc/33/27/85/152332785.db2.gz HPLMHEXDGUHPGD-QGZVFWFLSA-N 1 2 332.356 3.030 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121197750 152332787 /nfs/dbraw/zinc/33/27/87/152332787.db2.gz HPLMHEXDGUHPGD-QGZVFWFLSA-N 1 2 332.356 3.030 20 5 EGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337353514 154302332 /nfs/dbraw/zinc/30/23/32/154302332.db2.gz AEXNBLVVQGEZER-AIANPOQGSA-N 1 2 347.459 3.356 20 5 EGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337353514 154302334 /nfs/dbraw/zinc/30/23/34/154302334.db2.gz AEXNBLVVQGEZER-AIANPOQGSA-N 1 2 347.459 3.356 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1[N+](=O)[O-] ZINC000372803443 157386987 /nfs/dbraw/zinc/38/69/87/157386987.db2.gz CPYOIGHDGMXNKQ-CQSZACIVSA-N 1 2 330.388 3.096 20 5 EGBDLO CCOc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1[N+](=O)[O-] ZINC000372803443 157386989 /nfs/dbraw/zinc/38/69/89/157386989.db2.gz CPYOIGHDGMXNKQ-CQSZACIVSA-N 1 2 330.388 3.096 20 5 EGBDLO O=C(c1ccccc1)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000377994589 157450619 /nfs/dbraw/zinc/45/06/19/157450619.db2.gz VAEGMUWJSKBLBK-UHFFFAOYSA-N 1 2 348.362 3.043 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000129174488 162349081 /nfs/dbraw/zinc/34/90/81/162349081.db2.gz MLNBWQAVXOQBJP-UHFFFAOYSA-N 1 2 337.383 3.350 20 5 EGBDLO Cc1cc(N[C@H](C)C[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000338720661 163331131 /nfs/dbraw/zinc/33/11/31/163331131.db2.gz MJSAPTDEUGHYLO-WBMJQRKESA-N 1 2 342.399 3.152 20 5 EGBDLO COC1(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000338731217 163333987 /nfs/dbraw/zinc/33/39/87/163333987.db2.gz GWJKMMHTUXHCII-UHFFFAOYSA-N 1 2 342.399 3.153 20 5 EGBDLO Cc1ccccc1-n1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000342030157 163766829 /nfs/dbraw/zinc/76/68/29/163766829.db2.gz URULGOVHPQJPGG-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000366588941 168124440 /nfs/dbraw/zinc/12/44/40/168124440.db2.gz UCHSQRVOGMABIU-UHFFFAOYSA-N 1 2 336.351 3.475 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC000175186959 265099172 /nfs/dbraw/zinc/09/91/72/265099172.db2.gz GQUPTPHELHQNHE-UHFFFAOYSA-N 1 2 339.351 3.412 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC000175186959 265099174 /nfs/dbraw/zinc/09/91/74/265099174.db2.gz GQUPTPHELHQNHE-UHFFFAOYSA-N 1 2 339.351 3.412 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000049728544 275149133 /nfs/dbraw/zinc/14/91/33/275149133.db2.gz ZIWRMSSETGOYDA-NSHDSACASA-N 1 2 346.412 3.175 20 5 EGBDLO CC(C)(C)[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000279792022 275359841 /nfs/dbraw/zinc/35/98/41/275359841.db2.gz OKJAFEYCXCLAPC-MRXNPFEDSA-N 1 2 345.399 3.497 20 5 EGBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000279792022 275359842 /nfs/dbraw/zinc/35/98/42/275359842.db2.gz OKJAFEYCXCLAPC-MRXNPFEDSA-N 1 2 345.399 3.497 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281924104 275588929 /nfs/dbraw/zinc/58/89/29/275588929.db2.gz VSOVPRXDLTXJEE-OAHLLOKOSA-N 1 2 328.372 3.179 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCCO)Cc1ccccn1 ZINC000287964134 276172786 /nfs/dbraw/zinc/17/27/86/276172786.db2.gz YWOLZCSJLMBFGL-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000287964134 276172787 /nfs/dbraw/zinc/17/27/87/276172787.db2.gz YWOLZCSJLMBFGL-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000288180483 276188779 /nfs/dbraw/zinc/18/87/79/276188779.db2.gz RACFHYXRUMBNSR-UHFFFAOYSA-N 1 2 344.350 3.057 20 5 EGBDLO CC(C)n1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1 ZINC000290030345 276436942 /nfs/dbraw/zinc/43/69/42/276436942.db2.gz DXDWNFDWPGSZJU-UHFFFAOYSA-N 1 2 343.309 3.076 20 5 EGBDLO CC(C)C[C@H]([NH3+])c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000414623028 309092121 /nfs/dbraw/zinc/09/21/21/309092121.db2.gz NEIFDBANPPWOOG-LBPRGKRZSA-N 1 2 342.359 3.081 20 5 EGBDLO Cc1ccc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296183152 308402056 /nfs/dbraw/zinc/40/20/56/308402056.db2.gz MBYCPNHMTCLRSX-CQSZACIVSA-N 1 2 343.387 3.252 20 5 EGBDLO Cc1[nH+]c2cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])ccc2n1C1CC1 ZINC000298252514 308597410 /nfs/dbraw/zinc/59/74/10/308597410.db2.gz FDUPHQBKXNVGAN-UHFFFAOYSA-N 1 2 344.415 3.131 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000299410468 308673551 /nfs/dbraw/zinc/67/35/51/308673551.db2.gz BIRDADTXQOVSES-UHFFFAOYSA-N 1 2 343.383 3.196 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299574728 308679975 /nfs/dbraw/zinc/67/99/75/308679975.db2.gz CFJNWIWOCNHSPQ-UHFFFAOYSA-N 1 2 340.339 3.084 20 5 EGBDLO COc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301152023 308690021 /nfs/dbraw/zinc/69/00/21/308690021.db2.gz KWTIWAXIPLIACR-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNc1nccc(C)c1[N+](=O)[O-] ZINC000301309993 308696077 /nfs/dbraw/zinc/69/60/77/308696077.db2.gz YNBBWFURAKKVKS-UHFFFAOYSA-N 1 2 325.372 3.459 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000301434921 308700258 /nfs/dbraw/zinc/70/02/58/308700258.db2.gz IYZJDSHXVHOOHO-INIZCTEOSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301851525 308718412 /nfs/dbraw/zinc/71/84/12/308718412.db2.gz PNYYEPBTRASNFG-UHFFFAOYSA-N 1 2 337.177 3.110 20 5 EGBDLO CC(C)Oc1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000412277671 308978646 /nfs/dbraw/zinc/97/86/46/308978646.db2.gz HMVKPWXFTUJCFH-OAHLLOKOSA-N 1 2 346.387 3.232 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCc3cn4c(n3)SCC4)c2c1 ZINC000413232372 309022821 /nfs/dbraw/zinc/02/28/21/309022821.db2.gz NCHCFKPTNVWCSM-UHFFFAOYSA-N 1 2 341.396 3.100 20 5 EGBDLO CCO[C@@H]1C[C@@](O)(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000413267668 309024226 /nfs/dbraw/zinc/02/42/26/309024226.db2.gz QTZZHXZCHNYASP-CRAIPNDOSA-N 1 2 345.399 3.121 20 5 EGBDLO Cc1ccc(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])[nH+]c1 ZINC000413349725 309028078 /nfs/dbraw/zinc/02/80/78/309028078.db2.gz TYHJWDHFLYOART-UHFFFAOYSA-N 1 2 326.278 3.367 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420956814 309304222 /nfs/dbraw/zinc/30/42/22/309304222.db2.gz NLZFGLXCGAOBEI-BETUJISGSA-N 1 2 326.368 3.132 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420956814 309304223 /nfs/dbraw/zinc/30/42/23/309304223.db2.gz NLZFGLXCGAOBEI-BETUJISGSA-N 1 2 326.368 3.132 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000421567406 309329992 /nfs/dbraw/zinc/32/99/92/309329992.db2.gz YFYSDSRSHNDOAB-UHFFFAOYSA-N 1 2 342.399 3.017 20 5 EGBDLO Cc1cc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000422206437 309357831 /nfs/dbraw/zinc/35/78/31/309357831.db2.gz LCPLHNLOYIXGOM-UHFFFAOYSA-N 1 2 342.399 3.341 20 5 EGBDLO CCC1(O)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425421943 309479379 /nfs/dbraw/zinc/47/93/79/309479379.db2.gz RRSKPEUJYQKGIT-UHFFFAOYSA-N 1 2 343.221 3.094 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCc1cc[nH+]cc1C ZINC000447810566 309989401 /nfs/dbraw/zinc/98/94/01/309989401.db2.gz JQAXUYPRLQPFCU-UHFFFAOYSA-N 1 2 349.774 3.393 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000449571989 310072863 /nfs/dbraw/zinc/07/28/63/310072863.db2.gz LWORFYHTHGGHHE-HSZRJFAPSA-N 1 2 338.473 3.451 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000449571989 310072864 /nfs/dbraw/zinc/07/28/64/310072864.db2.gz LWORFYHTHGGHHE-HSZRJFAPSA-N 1 2 338.473 3.451 20 5 EGBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449663767 310078809 /nfs/dbraw/zinc/07/88/09/310078809.db2.gz PAIITWFOJOJFLP-LZWOXQAQSA-N 1 2 334.416 3.236 20 5 EGBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000452573076 310232773 /nfs/dbraw/zinc/23/27/73/310232773.db2.gz VEOSSGQDASQWMB-UHFFFAOYSA-N 1 2 348.428 3.242 20 5 EGBDLO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC000456267279 310395645 /nfs/dbraw/zinc/39/56/45/310395645.db2.gz IPAIZJWNQHBKTH-HNNXBMFYSA-N 1 2 341.367 3.102 20 5 EGBDLO CC(C)([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccccc1[N+](=O)[O-] ZINC000492047067 311212087 /nfs/dbraw/zinc/21/20/87/311212087.db2.gz NMJDEPCZFQANHJ-UHFFFAOYSA-N 1 2 337.383 3.200 20 5 EGBDLO COc1ccccc1N1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505589756 312027173 /nfs/dbraw/zinc/02/71/73/312027173.db2.gz HFDFVYTWXBVUML-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CCOCC(C)(C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514813325 312246860 /nfs/dbraw/zinc/24/68/60/312246860.db2.gz XMSHFTLSUYHPIE-UHFFFAOYSA-N 1 2 344.415 3.257 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000531656870 313696988 /nfs/dbraw/zinc/69/69/88/313696988.db2.gz WLSSMYSWKQUYHF-HOTGVXAUSA-N 1 2 339.823 3.304 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000536638674 314133441 /nfs/dbraw/zinc/13/34/41/314133441.db2.gz FXWGGDFVMQQRQK-HNNXBMFYSA-N 1 2 343.383 3.344 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000536638674 314133446 /nfs/dbraw/zinc/13/34/46/314133446.db2.gz FXWGGDFVMQQRQK-HNNXBMFYSA-N 1 2 343.383 3.344 20 5 EGBDLO Cc1cc(N[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555119708 315367406 /nfs/dbraw/zinc/36/74/06/315367406.db2.gz HLIIJFUHHJWZLV-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000569698923 316951990 /nfs/dbraw/zinc/95/19/90/316951990.db2.gz YCXSPDHSTGLHFG-VIFPVBQESA-N 1 2 342.277 3.400 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000572674734 317373594 /nfs/dbraw/zinc/37/35/94/317373594.db2.gz SYVGUBORFSPWCC-IBGZPJMESA-N 1 2 342.395 3.351 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000572674734 317373599 /nfs/dbraw/zinc/37/35/99/317373599.db2.gz SYVGUBORFSPWCC-IBGZPJMESA-N 1 2 342.395 3.351 20 5 EGBDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000572809531 317393268 /nfs/dbraw/zinc/39/32/68/317393268.db2.gz HUQUCBDVZZMDGE-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000572809531 317393272 /nfs/dbraw/zinc/39/32/72/317393272.db2.gz HUQUCBDVZZMDGE-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000173388557 323294995 /nfs/dbraw/zinc/29/49/95/323294995.db2.gz OLDDDIONYLTLAD-CYBMUJFWSA-N 1 2 338.367 3.419 20 5 EGBDLO Cc1c([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cccc1[N+](=O)[O-] ZINC000182880355 323580745 /nfs/dbraw/zinc/58/07/45/323580745.db2.gz BKLYDDINQBOBAT-AWEZNQCLSA-N 1 2 342.399 3.308 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000579660120 325140097 /nfs/dbraw/zinc/14/00/97/325140097.db2.gz AVRMJLNRHSACRP-OAHLLOKOSA-N 1 2 327.384 3.236 20 5 EGBDLO CN(C)C(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246515 452796903 /nfs/dbraw/zinc/79/69/03/452796903.db2.gz XMBWBUVIMLQGCO-UHFFFAOYSA-N 1 2 336.420 3.216 20 5 EGBDLO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000009920108 453265948 /nfs/dbraw/zinc/26/59/48/453265948.db2.gz HLGARNNESRPPEU-UHFFFAOYSA-N 1 2 333.413 3.303 20 5 EGBDLO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000009920108 453265956 /nfs/dbraw/zinc/26/59/56/453265956.db2.gz HLGARNNESRPPEU-UHFFFAOYSA-N 1 2 333.413 3.303 20 5 EGBDLO CSc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000612346115 460601314 /nfs/dbraw/zinc/60/13/14/460601314.db2.gz GSEXJUZPENOHMV-UHFFFAOYSA-N 1 2 332.385 3.030 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1F ZINC000017590932 453636142 /nfs/dbraw/zinc/63/61/42/453636142.db2.gz FJSJRRFHTANAAF-CQSZACIVSA-N 1 2 327.319 3.064 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1F ZINC000021919862 453684130 /nfs/dbraw/zinc/68/41/30/453684130.db2.gz BYZFMRYUKPMNPP-GFCCVEGCSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1F ZINC000021919862 453684135 /nfs/dbraw/zinc/68/41/35/453684135.db2.gz BYZFMRYUKPMNPP-GFCCVEGCSA-N 1 2 331.347 3.193 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000027382874 453815745 /nfs/dbraw/zinc/81/57/45/453815745.db2.gz HRNYTXTYPWOTNN-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032170773 453865666 /nfs/dbraw/zinc/86/56/66/453865666.db2.gz UBDBPLPIFYMDFL-ZFWWWQNUSA-N 1 2 342.399 3.431 20 5 EGBDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069286979 454092032 /nfs/dbraw/zinc/09/20/32/454092032.db2.gz HWYWKMBMZFUKJN-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069286979 454092034 /nfs/dbraw/zinc/09/20/34/454092034.db2.gz HWYWKMBMZFUKJN-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000078004983 454176637 /nfs/dbraw/zinc/17/66/37/454176637.db2.gz YOLKLMZQCUAHLM-OLZOCXBDSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901397 454229907 /nfs/dbraw/zinc/22/99/07/454229907.db2.gz XNPREWNJOPIYID-KRWDZBQOSA-N 1 2 345.399 3.497 20 5 EGBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901397 454229913 /nfs/dbraw/zinc/22/99/13/454229913.db2.gz XNPREWNJOPIYID-KRWDZBQOSA-N 1 2 345.399 3.497 20 5 EGBDLO Cc1cccc2[nH+]c(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)cn21 ZINC000072626223 454318985 /nfs/dbraw/zinc/31/89/85/454318985.db2.gz YZDRBDQOHDRHJV-UHFFFAOYSA-N 1 2 333.351 3.463 20 5 EGBDLO C[C@@H](C1CC1)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000047448419 454373225 /nfs/dbraw/zinc/37/32/25/454373225.db2.gz CJRKTZDZJFZURG-LBPRGKRZSA-N 1 2 340.383 3.184 20 5 EGBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nccn1C(F)F ZINC000079482735 454422383 /nfs/dbraw/zinc/42/23/83/454422383.db2.gz QDCGWZBXTBAVNP-UHFFFAOYSA-N 1 2 340.330 3.087 20 5 EGBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nccn1C(F)F ZINC000079482735 454422387 /nfs/dbraw/zinc/42/23/87/454422387.db2.gz QDCGWZBXTBAVNP-UHFFFAOYSA-N 1 2 340.330 3.087 20 5 EGBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000091476532 454439831 /nfs/dbraw/zinc/43/98/31/454439831.db2.gz APJYYIDYKBTKFO-UHFFFAOYSA-N 1 2 340.383 3.040 20 5 EGBDLO COc1cc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000121553812 454450973 /nfs/dbraw/zinc/45/09/73/454450973.db2.gz ZIRAJIGJVRPRGB-UHFFFAOYSA-N 1 2 346.387 3.311 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091702212 454460720 /nfs/dbraw/zinc/46/07/20/454460720.db2.gz JFMYRKPLDUBRDE-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091702212 454460723 /nfs/dbraw/zinc/46/07/23/454460723.db2.gz JFMYRKPLDUBRDE-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO CC(C)CN(C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135235916 454651363 /nfs/dbraw/zinc/65/13/63/454651363.db2.gz LOHOISFWESQWHK-UHFFFAOYSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)CN(C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135235916 454651369 /nfs/dbraw/zinc/65/13/69/454651369.db2.gz LOHOISFWESQWHK-UHFFFAOYSA-N 1 2 345.443 3.206 20 5 EGBDLO Cc1nn(C)c(NCc2ccc(N3CCCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000052334541 454668830 /nfs/dbraw/zinc/66/88/30/454668830.db2.gz OZDAFKILKBMIBI-UHFFFAOYSA-N 1 2 344.419 3.024 20 5 EGBDLO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106862856 454725403 /nfs/dbraw/zinc/72/54/03/454725403.db2.gz LUFLKPYDZDXBNZ-CYBMUJFWSA-N 1 2 325.368 3.153 20 5 EGBDLO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106862856 454725406 /nfs/dbraw/zinc/72/54/06/454725406.db2.gz LUFLKPYDZDXBNZ-CYBMUJFWSA-N 1 2 325.368 3.153 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(F)cccc2C1 ZINC000152936635 454744386 /nfs/dbraw/zinc/74/43/86/454744386.db2.gz RKIGVNGCLDPTOI-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(F)cccc2C1 ZINC000152936635 454744392 /nfs/dbraw/zinc/74/43/92/454744392.db2.gz RKIGVNGCLDPTOI-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000143025839 454839519 /nfs/dbraw/zinc/83/95/19/454839519.db2.gz SGNZOCDORQRFTG-HNNXBMFYSA-N 1 2 327.812 3.017 20 5 EGBDLO Cc1noc(C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000163430916 454847704 /nfs/dbraw/zinc/84/77/04/454847704.db2.gz YGSKKSCVMWTEBO-UHFFFAOYSA-N 1 2 336.779 3.319 20 5 EGBDLO Cc1cc(N(CCCCO)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000156427091 455116642 /nfs/dbraw/zinc/11/66/42/455116642.db2.gz TXZKRDGDISOPHZ-UHFFFAOYSA-N 1 2 342.399 3.102 20 5 EGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283894104 455609290 /nfs/dbraw/zinc/60/92/90/455609290.db2.gz BDFMAUDSEHQFJI-AWEZNQCLSA-N 1 2 345.359 3.180 20 5 EGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283894104 455609291 /nfs/dbraw/zinc/60/92/91/455609291.db2.gz BDFMAUDSEHQFJI-AWEZNQCLSA-N 1 2 345.359 3.180 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000283996327 455622229 /nfs/dbraw/zinc/62/22/29/455622229.db2.gz GLPQRZOOHBROPW-UHFFFAOYSA-N 1 2 331.303 3.421 20 5 EGBDLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000296224996 455884268 /nfs/dbraw/zinc/88/42/68/455884268.db2.gz BVNPKGFSDRSOHP-VIFPVBQESA-N 1 2 326.278 3.254 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000296510058 455959691 /nfs/dbraw/zinc/95/96/91/455959691.db2.gz YOFPODYEMAWALG-ZDUSSCGKSA-N 1 2 347.350 3.082 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000301721594 456197071 /nfs/dbraw/zinc/19/70/71/456197071.db2.gz QRHZJBQLPYSKCE-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO CC(C)C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000301794092 456216823 /nfs/dbraw/zinc/21/68/23/456216823.db2.gz PNSCWHCGAGUBOG-CYBMUJFWSA-N 1 2 343.374 3.032 20 5 EGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cccc([N+](=O)[O-])c1 ZINC000301881972 456240880 /nfs/dbraw/zinc/24/08/80/456240880.db2.gz KMFGBQQKCSALKS-UHFFFAOYSA-N 1 2 326.360 3.102 20 5 EGBDLO Cn1cc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000290124378 456245795 /nfs/dbraw/zinc/24/57/95/456245795.db2.gz YYNFFHIPZCIEAZ-UHFFFAOYSA-N 1 2 329.187 3.267 20 5 EGBDLO Cn1cc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000290124378 456245799 /nfs/dbraw/zinc/24/57/99/456245799.db2.gz YYNFFHIPZCIEAZ-UHFFFAOYSA-N 1 2 329.187 3.267 20 5 EGBDLO CCOc1ccc(C[NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)cc1 ZINC000301991391 456266614 /nfs/dbraw/zinc/26/66/14/456266614.db2.gz NITPGKSEWFRWAS-UHFFFAOYSA-N 1 2 347.440 3.377 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ncc([N+](=O)[O-])s2)C3)cc1 ZINC000336979144 456319857 /nfs/dbraw/zinc/31/98/57/456319857.db2.gz BKFUHXIMPQZSHK-UHFFFAOYSA-N 1 2 341.396 3.108 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ncn(-c3ccccc3)n1)CCC2 ZINC000340522466 456509047 /nfs/dbraw/zinc/50/90/47/456509047.db2.gz AEGAVEMKFZDGDO-GOSISDBHSA-N 1 2 349.394 3.343 20 5 EGBDLO CC[N@H+](C)[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)c1ccccc1 ZINC000291051843 456510929 /nfs/dbraw/zinc/51/09/29/456510929.db2.gz IITGAUQHECAQDH-OAHLLOKOSA-N 1 2 332.404 3.099 20 5 EGBDLO CC[N@@H+](C)[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)c1ccccc1 ZINC000291051843 456510932 /nfs/dbraw/zinc/51/09/32/456510932.db2.gz IITGAUQHECAQDH-OAHLLOKOSA-N 1 2 332.404 3.099 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc1 ZINC000298744880 456529518 /nfs/dbraw/zinc/52/95/18/456529518.db2.gz DLWVBEFTHJQGAP-OAHLLOKOSA-N 1 2 339.355 3.310 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc1 ZINC000298744880 456529528 /nfs/dbraw/zinc/52/95/28/456529528.db2.gz DLWVBEFTHJQGAP-OAHLLOKOSA-N 1 2 339.355 3.310 20 5 EGBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000291234415 456574456 /nfs/dbraw/zinc/57/44/56/456574456.db2.gz XBMUHCMJKPKVII-MRXNPFEDSA-N 1 2 340.383 3.041 20 5 EGBDLO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(C(F)(F)F)cs1 ZINC000348281237 456594899 /nfs/dbraw/zinc/59/48/99/456594899.db2.gz LBTZIHDIDFSRJJ-ZETCQYMHSA-N 1 2 349.338 3.045 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299566914 456730433 /nfs/dbraw/zinc/73/04/33/456730433.db2.gz AZYAEBWWYYGTMJ-CYBMUJFWSA-N 1 2 340.339 3.432 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000353613095 456802985 /nfs/dbraw/zinc/80/29/85/456802985.db2.gz MCFWGEQDLZEWCQ-INIZCTEOSA-N 1 2 345.424 3.461 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000353613095 456802992 /nfs/dbraw/zinc/80/29/92/456802992.db2.gz MCFWGEQDLZEWCQ-INIZCTEOSA-N 1 2 345.424 3.461 20 5 EGBDLO Cc1cc(N(C)Cc2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301127904 456803342 /nfs/dbraw/zinc/80/33/42/456803342.db2.gz VQYTTZOQEXBFSQ-UHFFFAOYSA-N 1 2 335.367 3.392 20 5 EGBDLO COc1c(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000353877533 456947096 /nfs/dbraw/zinc/94/70/96/456947096.db2.gz ODHIQAHUJFCGFR-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO COc1c(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000353877533 456947100 /nfs/dbraw/zinc/94/71/00/456947100.db2.gz ODHIQAHUJFCGFR-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccc(F)cc1 ZINC000349529951 456982677 /nfs/dbraw/zinc/98/26/77/456982677.db2.gz QDRDRZNTTCNQPZ-UHFFFAOYSA-N 1 2 345.374 3.178 20 5 EGBDLO Cc1ccccc1-n1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000342030158 457067156 /nfs/dbraw/zinc/06/71/56/457067156.db2.gz URULGOVHPQJPGG-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342604523 457396115 /nfs/dbraw/zinc/39/61/15/457396115.db2.gz YLMNFUVPIMIJIK-LBPRGKRZSA-N 1 2 347.802 3.297 20 5 EGBDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342604523 457396116 /nfs/dbraw/zinc/39/61/16/457396116.db2.gz YLMNFUVPIMIJIK-LBPRGKRZSA-N 1 2 347.802 3.297 20 5 EGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000352690452 457534016 /nfs/dbraw/zinc/53/40/16/457534016.db2.gz FGJUJHPNSHRXQU-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000352690452 457534022 /nfs/dbraw/zinc/53/40/22/457534022.db2.gz FGJUJHPNSHRXQU-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO CCC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000347615532 457551153 /nfs/dbraw/zinc/55/11/53/457551153.db2.gz KTBHQHKSUMVUQG-AWEZNQCLSA-N 1 2 343.362 3.408 20 5 EGBDLO CC[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nccs1 ZINC000361264181 457671580 /nfs/dbraw/zinc/67/15/80/457671580.db2.gz ZIMJBPRJENZFSE-HNNXBMFYSA-N 1 2 331.401 3.343 20 5 EGBDLO Cc1cc(N2CCOc3ccc([N+](=O)[O-])cc3C2)nc(C(C)C)[nH+]1 ZINC000357774694 457685093 /nfs/dbraw/zinc/68/50/93/457685093.db2.gz LYSXZGUPAOJNJY-UHFFFAOYSA-N 1 2 328.372 3.216 20 5 EGBDLO Cc1c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])nnn1-c1ccccc1 ZINC000358004147 457736993 /nfs/dbraw/zinc/73/69/93/457736993.db2.gz KMMVHBNZAMCFGE-ZDUSSCGKSA-N 1 2 337.383 3.335 20 5 EGBDLO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1occc1C ZINC000412027097 458053310 /nfs/dbraw/zinc/05/33/10/458053310.db2.gz NXZRKDJGQOFWST-UHFFFAOYSA-N 1 2 331.372 3.265 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1occc1C ZINC000412027097 458053311 /nfs/dbraw/zinc/05/33/11/458053311.db2.gz NXZRKDJGQOFWST-UHFFFAOYSA-N 1 2 331.372 3.265 20 5 EGBDLO COc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000446832113 458233084 /nfs/dbraw/zinc/23/30/84/458233084.db2.gz MCMAALGGBAZGAU-QGZVFWFLSA-N 1 2 338.367 3.206 20 5 EGBDLO COc1ccc(CN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000446832113 458233090 /nfs/dbraw/zinc/23/30/90/458233090.db2.gz MCMAALGGBAZGAU-QGZVFWFLSA-N 1 2 338.367 3.206 20 5 EGBDLO CCC[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447814759 458346030 /nfs/dbraw/zinc/34/60/30/458346030.db2.gz BFRZVFUXJYVGRT-INIZCTEOSA-N 1 2 347.459 3.444 20 5 EGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430242443 458427656 /nfs/dbraw/zinc/42/76/56/458427656.db2.gz XSNVZHNXVGVTIQ-UHFFFAOYSA-N 1 2 344.367 3.022 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430242443 458427660 /nfs/dbraw/zinc/42/76/60/458427660.db2.gz XSNVZHNXVGVTIQ-UHFFFAOYSA-N 1 2 344.367 3.022 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437579026 458470040 /nfs/dbraw/zinc/47/00/40/458470040.db2.gz ORJJYMFPJMIHLX-XJKSGUPXSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437579026 458470045 /nfs/dbraw/zinc/47/00/45/458470045.db2.gz ORJJYMFPJMIHLX-XJKSGUPXSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccn(C)n1 ZINC000459797427 458481028 /nfs/dbraw/zinc/48/10/28/458481028.db2.gz SCVBVPXFYRJJJK-SECBINFHSA-N 1 2 328.294 3.198 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000462637234 458637841 /nfs/dbraw/zinc/63/78/41/458637841.db2.gz JVMOJTRKBVOKBE-AWEZNQCLSA-N 1 2 327.384 3.182 20 5 EGBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000439003711 458640597 /nfs/dbraw/zinc/64/05/97/458640597.db2.gz IBMJWNUIGGPHLI-QGZVFWFLSA-N 1 2 344.415 3.417 20 5 EGBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000439003711 458640600 /nfs/dbraw/zinc/64/06/00/458640600.db2.gz IBMJWNUIGGPHLI-QGZVFWFLSA-N 1 2 344.415 3.417 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000456387949 458660237 /nfs/dbraw/zinc/66/02/37/458660237.db2.gz NOLVHEMMFNYARW-JTQLQIEISA-N 1 2 328.328 3.048 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)c[nH+]2)C[C@H](C)O1 ZINC000530479847 458776108 /nfs/dbraw/zinc/77/61/08/458776108.db2.gz GPMPLQOORVXAEK-BETUJISGSA-N 1 2 328.372 3.347 20 5 EGBDLO CCCN(CCC)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441244225 458905829 /nfs/dbraw/zinc/90/58/29/458905829.db2.gz YUKRTBLOKFNTDF-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CCCN(CCC)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441244225 458905832 /nfs/dbraw/zinc/90/58/32/458905832.db2.gz YUKRTBLOKFNTDF-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000531656869 458955689 /nfs/dbraw/zinc/95/56/89/458955689.db2.gz WLSSMYSWKQUYHF-CVEARBPZSA-N 1 2 339.823 3.304 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442795374 459036479 /nfs/dbraw/zinc/03/64/79/459036479.db2.gz DRZZUNCPQSMFLV-UKRRQHHQSA-N 1 2 330.388 3.154 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000595036096 459224018 /nfs/dbraw/zinc/22/40/18/459224018.db2.gz OXOUGTFJKUTCLR-MNOVXSKESA-N 1 2 333.392 3.257 20 5 EGBDLO CCc1cc(NCCCSC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000522904011 459271383 /nfs/dbraw/zinc/27/13/83/459271383.db2.gz SRIUKENVAPYPPZ-UHFFFAOYSA-N 1 2 332.429 3.201 20 5 EGBDLO COc1cc(C)c([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595417352 459294759 /nfs/dbraw/zinc/29/47/59/459294759.db2.gz XRFCYFUHTSEYEF-JTQLQIEISA-N 1 2 335.360 3.068 20 5 EGBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000595414197 459294845 /nfs/dbraw/zinc/29/48/45/459294845.db2.gz BHGJMMPXXXRRFC-QMMMGPOBSA-N 1 2 327.287 3.343 20 5 EGBDLO Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)c[nH+]1 ZINC000534299464 459308543 /nfs/dbraw/zinc/30/85/43/459308543.db2.gz BIXNTKHNKJSGAM-UHFFFAOYSA-N 1 2 327.365 3.496 20 5 EGBDLO Cc1cc(NC[C@H]2CCCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000561697712 459473582 /nfs/dbraw/zinc/47/35/82/459473582.db2.gz UGPBIUBHMZNFOW-CYBMUJFWSA-N 1 2 344.440 3.337 20 5 EGBDLO Cc1cccc(OCC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000583593580 459563835 /nfs/dbraw/zinc/56/38/35/459563835.db2.gz GWJYTAIOVKPDRP-UHFFFAOYSA-N 1 2 328.368 3.177 20 5 EGBDLO Cc1cccc(OCC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000583593580 459563840 /nfs/dbraw/zinc/56/38/40/459563840.db2.gz GWJYTAIOVKPDRP-UHFFFAOYSA-N 1 2 328.368 3.177 20 5 EGBDLO C[S@](=O)[C@H]1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596367881 459610792 /nfs/dbraw/zinc/61/07/92/459610792.db2.gz VQGCYSYKDFSKQF-XTAIUZINSA-N 1 2 333.413 3.245 20 5 EGBDLO CC(C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCCOC1 ZINC000596529464 459667644 /nfs/dbraw/zinc/66/76/44/459667644.db2.gz ACIRLTGFYRRMAL-GOSISDBHSA-N 1 2 345.399 3.123 20 5 EGBDLO C[C@@H](Nc1c(Br)cccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596542706 459671197 /nfs/dbraw/zinc/67/11/97/459671197.db2.gz OYKRANBZKDQBEL-MRVPVSSYSA-N 1 2 325.166 3.264 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000593061056 459760667 /nfs/dbraw/zinc/76/06/67/459760667.db2.gz GQTDVKWMDKNXKO-LRDDRELGSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000593061056 459760672 /nfs/dbraw/zinc/76/06/72/459760672.db2.gz GQTDVKWMDKNXKO-LRDDRELGSA-N 1 2 331.372 3.249 20 5 EGBDLO C[N@H+](CCOCC1CC1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602479689 459959780 /nfs/dbraw/zinc/95/97/80/459959780.db2.gz AAZFTFIJBFRPAH-UHFFFAOYSA-N 1 2 349.250 3.277 20 5 EGBDLO C[N@@H+](CCOCC1CC1)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602479689 459959787 /nfs/dbraw/zinc/95/97/87/459959787.db2.gz AAZFTFIJBFRPAH-UHFFFAOYSA-N 1 2 349.250 3.277 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCc4sccc4C3)nc2c1 ZINC000618280675 459953813 /nfs/dbraw/zinc/95/38/13/459953813.db2.gz OVVFGNVQFFGGLR-UHFFFAOYSA-N 1 2 328.397 3.481 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCc4sccc4C3)nc2c1 ZINC000618280675 459953820 /nfs/dbraw/zinc/95/38/20/459953820.db2.gz OVVFGNVQFFGGLR-UHFFFAOYSA-N 1 2 328.397 3.481 20 5 EGBDLO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@@H]1C ZINC000602515966 459977560 /nfs/dbraw/zinc/97/75/60/459977560.db2.gz UMTZWXPPUCTNMY-STQMWFEESA-N 1 2 332.404 3.089 20 5 EGBDLO CS[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602678042 460062245 /nfs/dbraw/zinc/06/22/45/460062245.db2.gz ANJJKFMPKXTAFK-ZETCQYMHSA-N 1 2 337.264 3.356 20 5 EGBDLO CS[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602678042 460062249 /nfs/dbraw/zinc/06/22/49/460062249.db2.gz ANJJKFMPKXTAFK-ZETCQYMHSA-N 1 2 337.264 3.356 20 5 EGBDLO Cc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)o1 ZINC000610392218 460140836 /nfs/dbraw/zinc/14/08/36/460140836.db2.gz IIAOTABMVRCXJL-UHFFFAOYSA-N 1 2 343.383 3.408 20 5 EGBDLO Cc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)o1 ZINC000610392218 460140844 /nfs/dbraw/zinc/14/08/44/460140844.db2.gz IIAOTABMVRCXJL-UHFFFAOYSA-N 1 2 343.383 3.408 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)OCCO2 ZINC000610938731 460263261 /nfs/dbraw/zinc/26/32/61/460263261.db2.gz POFFIEGEKKQLRJ-CQSZACIVSA-N 1 2 329.356 3.031 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1)OCCO2 ZINC000610938731 460263265 /nfs/dbraw/zinc/26/32/65/460263265.db2.gz POFFIEGEKKQLRJ-CQSZACIVSA-N 1 2 329.356 3.031 20 5 EGBDLO Cc1cc(N[C@H](C)C[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611132853 460293518 /nfs/dbraw/zinc/29/35/18/460293518.db2.gz ZMMXSQBXYRFXFX-OCCSQVGLSA-N 1 2 342.399 3.009 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3c(O)cccc3C2)c([N+](=O)[O-])cc1F ZINC000599646466 460297015 /nfs/dbraw/zinc/29/70/15/460297015.db2.gz KUNXODVQKMPUMF-UHFFFAOYSA-N 1 2 332.331 3.006 20 5 EGBDLO COc1cc(C[N@H+]2CCc3c(O)cccc3C2)c([N+](=O)[O-])cc1F ZINC000599646466 460297017 /nfs/dbraw/zinc/29/70/17/460297017.db2.gz KUNXODVQKMPUMF-UHFFFAOYSA-N 1 2 332.331 3.006 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611266877 460321553 /nfs/dbraw/zinc/32/15/53/460321553.db2.gz CFUYJYXPBLEEAN-UHFFFAOYSA-N 1 2 334.294 3.140 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611266877 460321557 /nfs/dbraw/zinc/32/15/57/460321557.db2.gz CFUYJYXPBLEEAN-UHFFFAOYSA-N 1 2 334.294 3.140 20 5 EGBDLO C[N@H+](Cc1ccsc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000603580773 460324127 /nfs/dbraw/zinc/32/41/27/460324127.db2.gz WHIHPXOOOXVERM-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO C[N@@H+](Cc1ccsc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000603580773 460324129 /nfs/dbraw/zinc/32/41/29/460324129.db2.gz WHIHPXOOOXVERM-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO COc1ccc2[nH+]c(NCCNc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000603842622 460346589 /nfs/dbraw/zinc/34/65/89/460346589.db2.gz FYKLMBSDFQBXLT-UHFFFAOYSA-N 1 2 338.367 3.098 20 5 EGBDLO COc1cc(C[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000611521144 460385731 /nfs/dbraw/zinc/38/57/31/460385731.db2.gz GIFLCJRRIGXTNJ-UHFFFAOYSA-N 1 2 346.305 3.306 20 5 EGBDLO COc1cc(C[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000611521144 460385740 /nfs/dbraw/zinc/38/57/40/460385740.db2.gz GIFLCJRRIGXTNJ-UHFFFAOYSA-N 1 2 346.305 3.306 20 5 EGBDLO Cc1occc1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560259 460398457 /nfs/dbraw/zinc/39/84/57/460398457.db2.gz XLHXNKQCIYIUTG-INIZCTEOSA-N 1 2 326.356 3.109 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000604525178 460440785 /nfs/dbraw/zinc/44/07/85/460440785.db2.gz LNHPABMZGLKTTL-UHFFFAOYSA-N 1 2 333.310 3.116 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000604525178 460440790 /nfs/dbraw/zinc/44/07/90/460440790.db2.gz LNHPABMZGLKTTL-UHFFFAOYSA-N 1 2 333.310 3.116 20 5 EGBDLO O=C(CCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000611768955 460456833 /nfs/dbraw/zinc/45/68/33/460456833.db2.gz VHXDDACSPSXYJJ-UHFFFAOYSA-N 1 2 342.277 3.229 20 5 EGBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000492461545 467644476 /nfs/dbraw/zinc/64/44/76/467644476.db2.gz SGXAXMMWPHVSGE-FPLPWBNLSA-N 1 2 337.339 3.011 20 5 EGBDLO Cc1ccc2nc(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])cn2c1 ZINC000740003975 574609123 /nfs/dbraw/zinc/60/91/23/574609123.db2.gz GLTHLPYTQCXFBF-UHFFFAOYSA-N 1 2 330.775 3.494 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N3CCC[C@H](n4cc[nH+]c4)C3)sc2c1 ZINC000731210476 575060325 /nfs/dbraw/zinc/06/03/25/575060325.db2.gz YKGLVPZRVSNLLV-LBPRGKRZSA-N 1 2 329.385 3.243 20 5 EGBDLO C[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000733199560 575319540 /nfs/dbraw/zinc/31/95/40/575319540.db2.gz HKZZEMDIEJBKOU-ZIAGYGMSSA-N 1 2 349.431 3.425 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2cccc(C)c2[N+](=O)[O-])c1C ZINC000736729446 576014779 /nfs/dbraw/zinc/01/47/79/576014779.db2.gz DISITWXLKDQTOX-UHFFFAOYSA-N 1 2 330.340 3.281 20 5 EGBDLO CCOC(=O)c1ccnc(Nc2ccc([NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000737398352 576220913 /nfs/dbraw/zinc/22/09/13/576220913.db2.gz NZFHTMGHOHBTTH-UHFFFAOYSA-N 1 2 344.371 3.285 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000742052914 576745010 /nfs/dbraw/zinc/74/50/10/576745010.db2.gz VXDJUHGPJMQXTE-UHFFFAOYSA-N 1 2 348.428 3.074 20 5 EGBDLO CC(C)COC(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000743843401 576816611 /nfs/dbraw/zinc/81/66/11/576816611.db2.gz OIJYWHBTQUWRHB-CQSZACIVSA-N 1 2 335.404 3.066 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000745103046 576841274 /nfs/dbraw/zinc/84/12/74/576841274.db2.gz YXXOGIRZYGFGBX-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000745103046 576841275 /nfs/dbraw/zinc/84/12/75/576841275.db2.gz YXXOGIRZYGFGBX-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO C[N@H+](CCOCC(F)(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193811075 1295913326 /nfs/dbraw/zinc/91/33/26/1295913326.db2.gz GKZAIKDUFDDSRA-UHFFFAOYSA-N 1 2 326.702 3.259 20 5 EGBDLO C[N@@H+](CCOCC(F)(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193811075 1295913334 /nfs/dbraw/zinc/91/33/34/1295913334.db2.gz GKZAIKDUFDDSRA-UHFFFAOYSA-N 1 2 326.702 3.259 20 5 EGBDLO Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c(N(C)C)[nH+]1 ZINC000750530634 1299417815 /nfs/dbraw/zinc/41/78/15/1299417815.db2.gz MJDDJALCCOYRAT-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO Cc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(N(C)C)[nH+]1 ZINC000762157357 1301622990 /nfs/dbraw/zinc/62/29/90/1301622990.db2.gz UWDGCNWIZJXUDI-LBPRGKRZSA-N 1 2 328.372 3.106 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000767814059 1302768400 /nfs/dbraw/zinc/76/84/00/1302768400.db2.gz MQWBGSFEFYZWTB-UHFFFAOYSA-N 1 2 328.294 3.337 20 5 EGBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccco3)CC2)ccc1Cl ZINC000768543565 1302930538 /nfs/dbraw/zinc/93/05/38/1302930538.db2.gz AROJNZWEYHRMII-UHFFFAOYSA-N 1 2 335.791 3.159 20 5 EGBDLO O=C(OCc1cccc2[nH+]ccn21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000770924032 1303332982 /nfs/dbraw/zinc/33/29/82/1303332982.db2.gz ACBWWENRUGOFTN-UHFFFAOYSA-N 1 2 337.291 3.346 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000774834061 1303864613 /nfs/dbraw/zinc/86/46/13/1303864613.db2.gz TUHHXNQOEUYVIO-HNNXBMFYSA-N 1 2 328.328 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000774834061 1303864617 /nfs/dbraw/zinc/86/46/17/1303864617.db2.gz TUHHXNQOEUYVIO-HNNXBMFYSA-N 1 2 328.328 3.235 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1c[nH+]cn1C ZINC000775253179 1303930605 /nfs/dbraw/zinc/93/06/05/1303930605.db2.gz QHRJFAAVUJAWAS-UHFFFAOYSA-N 1 2 335.385 3.186 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000780283576 1304671932 /nfs/dbraw/zinc/67/19/32/1304671932.db2.gz ULNQSYNYFJLOTM-UHFFFAOYSA-N 1 2 335.385 3.150 20 5 EGBDLO CC[C@](C)([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1nccs1 ZINC000892992666 1305643905 /nfs/dbraw/zinc/64/39/05/1305643905.db2.gz WNLQDCYCKNPNFB-HNNXBMFYSA-N 1 2 337.401 3.181 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792089172 1309120072 /nfs/dbraw/zinc/12/00/72/1309120072.db2.gz ULYPYJHTADGZPH-UHFFFAOYSA-N 1 2 333.369 3.041 20 5 EGBDLO Cc1nn(C[N@H+](C)CCOc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000794882793 1309615329 /nfs/dbraw/zinc/61/53/29/1309615329.db2.gz QGFFMVAVNDDKQT-UHFFFAOYSA-N 1 2 346.431 3.366 20 5 EGBDLO Cc1nn(C[N@@H+](C)CCOc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000794882793 1309615341 /nfs/dbraw/zinc/61/53/41/1309615341.db2.gz QGFFMVAVNDDKQT-UHFFFAOYSA-N 1 2 346.431 3.366 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3c(C)cccc3C2)c1 ZINC000811462429 1318179687 /nfs/dbraw/zinc/17/96/87/1318179687.db2.gz YBKHMJKXDAHANT-UHFFFAOYSA-N 1 2 340.379 3.248 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3c(C)cccc3C2)c1 ZINC000811462429 1318179694 /nfs/dbraw/zinc/17/96/94/1318179694.db2.gz YBKHMJKXDAHANT-UHFFFAOYSA-N 1 2 340.379 3.248 20 5 EGBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815211259 1318929097 /nfs/dbraw/zinc/92/90/97/1318929097.db2.gz LFPXHONWXVUHQS-ZDUSSCGKSA-N 1 2 346.305 3.141 20 5 EGBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815211259 1318929107 /nfs/dbraw/zinc/92/91/07/1318929107.db2.gz LFPXHONWXVUHQS-ZDUSSCGKSA-N 1 2 346.305 3.141 20 5 EGBDLO C[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616131 1319028711 /nfs/dbraw/zinc/02/87/11/1319028711.db2.gz GUKADPCTECFQMD-OQPBUACISA-N 1 2 335.310 3.240 20 5 EGBDLO C[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616132 1319029383 /nfs/dbraw/zinc/02/93/83/1319029383.db2.gz GUKADPCTECFQMD-SDBXPKJASA-N 1 2 335.310 3.240 20 5 EGBDLO COc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1C ZINC000820677025 1319932708 /nfs/dbraw/zinc/93/27/08/1319932708.db2.gz SHNIYAMZASAPNJ-MLGOLLRUSA-N 1 2 330.388 3.196 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852220278 1323166840 /nfs/dbraw/zinc/16/68/40/1323166840.db2.gz LLBUEJBAMSNBQR-PGUXBMHVSA-N 1 2 337.807 3.450 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852220278 1323166842 /nfs/dbraw/zinc/16/68/42/1323166842.db2.gz LLBUEJBAMSNBQR-PGUXBMHVSA-N 1 2 337.807 3.450 20 5 EGBDLO COc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c([N+](=O)[O-])cc1C ZINC000853412967 1325090535 /nfs/dbraw/zinc/09/05/35/1325090535.db2.gz MYARPRPXXLYYGP-UHFFFAOYSA-N 1 2 343.374 3.078 20 5 EGBDLO COc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c([N+](=O)[O-])cc1C ZINC000853412967 1325090546 /nfs/dbraw/zinc/09/05/46/1325090546.db2.gz MYARPRPXXLYYGP-UHFFFAOYSA-N 1 2 343.374 3.078 20 5 EGBDLO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] ZINC000863272118 1329542686 /nfs/dbraw/zinc/54/26/86/1329542686.db2.gz BDRONJHUHAUYMM-CYBMUJFWSA-N 1 2 336.342 3.215 20 5 EGBDLO Cc1nn(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] ZINC000863272118 1329542687 /nfs/dbraw/zinc/54/26/87/1329542687.db2.gz BDRONJHUHAUYMM-CYBMUJFWSA-N 1 2 336.342 3.215 20 5 EGBDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029218330 1340957045 /nfs/dbraw/zinc/95/70/45/1340957045.db2.gz LQJTWZIEFQCOQO-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029218330 1340957046 /nfs/dbraw/zinc/95/70/46/1340957046.db2.gz LQJTWZIEFQCOQO-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC(C)(C)C1(C)C ZINC001324243406 1387566571 /nfs/dbraw/zinc/56/65/71/1387566571.db2.gz DJEXOZFIIRHATP-LLVKDONJSA-N 1 2 335.404 3.051 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC(C)(C)C1(C)C ZINC001324243406 1387566574 /nfs/dbraw/zinc/56/65/74/1387566574.db2.gz DJEXOZFIIRHATP-LLVKDONJSA-N 1 2 335.404 3.051 20 5 EGBDLO Cc1cc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)ncc1[N+](=O)[O-] ZINC001212664873 1372747778 /nfs/dbraw/zinc/74/77/78/1372747778.db2.gz JRRRQXOFGVMXMU-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]CC2(F)F)c(Cl)c1Cl ZINC001218009493 1373535595 /nfs/dbraw/zinc/53/55/95/1373535595.db2.gz IGUUJILAKUDPIF-MRVPVSSYSA-N 1 2 327.114 3.278 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001225682241 1375143497 /nfs/dbraw/zinc/14/34/97/1375143497.db2.gz JPPWDULNIRIKCK-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001225682241 1375143500 /nfs/dbraw/zinc/14/35/00/1375143500.db2.gz JPPWDULNIRIKCK-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO O=[N+]([O-])c1ccc2ncccc2c1OC1C[NH+](Cc2ccccc2)C1 ZINC001233777475 1376714437 /nfs/dbraw/zinc/71/44/37/1376714437.db2.gz BZXYMYCOWNDTBU-UHFFFAOYSA-N 1 2 335.363 3.406 20 5 EGBDLO CN(C)c1ncccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001327346884 1388502505 /nfs/dbraw/zinc/50/25/05/1388502505.db2.gz PFFRYMQESYKMET-UHFFFAOYSA-N 1 2 326.400 3.220 20 5 EGBDLO CN(C)c1ncccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001327346884 1388502508 /nfs/dbraw/zinc/50/25/08/1388502508.db2.gz PFFRYMQESYKMET-UHFFFAOYSA-N 1 2 326.400 3.220 20 5 EGBDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2c3ccccc3cc3ccccc32)C1 ZINC001153498895 1380085186 /nfs/dbraw/zinc/08/51/86/1380085186.db2.gz HCABIYUONRCICX-KRWDZBQOSA-N 1 2 334.419 3.053 20 5 EGBDLO C[N@H+]1CCO[C@@H](CNC(=O)c2c3ccccc3cc3ccccc32)C1 ZINC001153498895 1380085188 /nfs/dbraw/zinc/08/51/88/1380085188.db2.gz HCABIYUONRCICX-KRWDZBQOSA-N 1 2 334.419 3.053 20 5 EGBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001158707171 1381362209 /nfs/dbraw/zinc/36/22/09/1381362209.db2.gz JRNRIWDTMXQBRS-CQSZACIVSA-N 1 2 342.830 3.179 20 5 EGBDLO C[N@H+]1CCOC[C@H]1CNc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001158707171 1381362213 /nfs/dbraw/zinc/36/22/13/1381362213.db2.gz JRNRIWDTMXQBRS-CQSZACIVSA-N 1 2 342.830 3.179 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2nc(C)cc(OC)c2[N+](=O)[O-])c1 ZINC001162130063 1382634226 /nfs/dbraw/zinc/63/42/26/1382634226.db2.gz WPPFYEAPYWVRLE-UHFFFAOYSA-N 1 2 346.387 3.100 20 5 EGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001173214642 1384936935 /nfs/dbraw/zinc/93/69/35/1384936935.db2.gz DBUZGTMJUXLEFE-CABCVRRESA-N 1 2 342.395 3.247 20 5 EGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001173214643 1384936961 /nfs/dbraw/zinc/93/69/61/1384936961.db2.gz DBUZGTMJUXLEFE-GJZGRUSLSA-N 1 2 342.395 3.247 20 5 EGBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001338132019 1389552969 /nfs/dbraw/zinc/55/29/69/1389552969.db2.gz WGUSMQNWUQLUDT-UHFFFAOYSA-N 1 2 337.339 3.279 20 5 EGBDLO Cc1noc(C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)n1 ZINC000174831290 282394574 /nfs/dbraw/zinc/39/45/74/282394574.db2.gz GGNOAFRIRKLHRF-UHFFFAOYSA-N 1 2 336.779 3.319 20 5 EGBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000076342718 203349301 /nfs/dbraw/zinc/34/93/01/203349301.db2.gz KSUWPHQPUQTVMO-UHFFFAOYSA-N 1 2 349.412 3.044 20 5 EGBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000076342718 203349303 /nfs/dbraw/zinc/34/93/03/203349303.db2.gz KSUWPHQPUQTVMO-UHFFFAOYSA-N 1 2 349.412 3.044 20 5 EGBDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000175258799 207108120 /nfs/dbraw/zinc/10/81/20/207108120.db2.gz GIPYQFGPDHDINW-NWDGAFQWSA-N 1 2 348.428 3.346 20 5 EGBDLO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000348141983 141237957 /nfs/dbraw/zinc/23/79/57/141237957.db2.gz XKCOXWZJQMHYCR-UHFFFAOYSA-N 1 2 328.343 3.365 20 5 EGBDLO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000348141983 141237958 /nfs/dbraw/zinc/23/79/58/141237958.db2.gz XKCOXWZJQMHYCR-UHFFFAOYSA-N 1 2 328.343 3.365 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nnc(C(C)C)s1 ZINC000344637578 144203153 /nfs/dbraw/zinc/20/31/53/144203153.db2.gz HNRUCKZIQRUXAB-UHFFFAOYSA-N 1 2 336.417 3.258 20 5 EGBDLO Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc[nH+]1 ZINC000119187415 152183049 /nfs/dbraw/zinc/18/30/49/152183049.db2.gz LCAXTQYHHYHGED-UHFFFAOYSA-N 1 2 326.356 3.495 20 5 EGBDLO CCOC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000194767786 153357214 /nfs/dbraw/zinc/35/72/14/153357214.db2.gz RIIXOMVLGHQQAY-UHFFFAOYSA-N 1 2 326.780 3.023 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3cccc(F)c3C2)c([N+](=O)[O-])cc1OC ZINC000093454263 162011227 /nfs/dbraw/zinc/01/12/27/162011227.db2.gz VXZPFPRKPLPNEK-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc(C[N@H+]2CCc3cccc(F)c3C2)c([N+](=O)[O-])cc1OC ZINC000093454263 162011230 /nfs/dbraw/zinc/01/12/30/162011230.db2.gz VXZPFPRKPLPNEK-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COC(=O)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000125736969 162286640 /nfs/dbraw/zinc/28/66/40/162286640.db2.gz XPGAEJZKJROJHU-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO COC(=O)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000125736969 162286642 /nfs/dbraw/zinc/28/66/42/162286642.db2.gz XPGAEJZKJROJHU-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000248773202 163033998 /nfs/dbraw/zinc/03/39/98/163033998.db2.gz QVTUUOIKQJRSCH-NVXWUHKLSA-N 1 2 345.443 3.208 20 5 EGBDLO C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000248773202 163034001 /nfs/dbraw/zinc/03/40/01/163034001.db2.gz QVTUUOIKQJRSCH-NVXWUHKLSA-N 1 2 345.443 3.208 20 5 EGBDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccccc1[N+](=O)[O-] ZINC000338314081 163209657 /nfs/dbraw/zinc/20/96/57/163209657.db2.gz HNHHCMAOZXWUTG-UHFFFAOYSA-N 1 2 347.440 3.103 20 5 EGBDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccccc1[N+](=O)[O-] ZINC000338314081 163209660 /nfs/dbraw/zinc/20/96/60/163209660.db2.gz HNHHCMAOZXWUTG-UHFFFAOYSA-N 1 2 347.440 3.103 20 5 EGBDLO Cc1cc(N[C@@H](C)C[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000338720658 163331417 /nfs/dbraw/zinc/33/14/17/163331417.db2.gz MJSAPTDEUGHYLO-LRDDRELGSA-N 1 2 342.399 3.152 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634846 287002359 /nfs/dbraw/zinc/00/23/59/287002359.db2.gz VNONIVKENPPELZ-GDBMZVCRSA-N 1 2 333.432 3.206 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634846 287002360 /nfs/dbraw/zinc/00/23/60/287002360.db2.gz VNONIVKENPPELZ-GDBMZVCRSA-N 1 2 333.432 3.206 20 5 EGBDLO Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000349567082 164896806 /nfs/dbraw/zinc/89/68/06/164896806.db2.gz VYLIJNSNNQRYPK-UHFFFAOYSA-N 1 2 341.411 3.348 20 5 EGBDLO CCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000177840881 265280177 /nfs/dbraw/zinc/28/01/77/265280177.db2.gz MBLAVXLDKHZCQF-UHFFFAOYSA-N 1 2 328.372 3.091 20 5 EGBDLO COCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccco1 ZINC000273305331 267016698 /nfs/dbraw/zinc/01/66/98/267016698.db2.gz SIDIEPFYDHBFEE-GFCCVEGCSA-N 1 2 331.328 3.196 20 5 EGBDLO Cn1cc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000184610296 275212852 /nfs/dbraw/zinc/21/28/52/275212852.db2.gz AXOYBBZKQSLHTI-GOSISDBHSA-N 1 2 340.358 3.347 20 5 EGBDLO CSc1ccc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000278698884 275266632 /nfs/dbraw/zinc/26/66/32/275266632.db2.gz RVAUYKUGKRKRIC-ZDUSSCGKSA-N 1 2 334.401 3.167 20 5 EGBDLO Nc1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000283497782 275728744 /nfs/dbraw/zinc/72/87/44/275728744.db2.gz IKKAWOHEVOYXGY-UHFFFAOYSA-N 1 2 327.388 3.174 20 5 EGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287220471 276097945 /nfs/dbraw/zinc/09/79/45/276097945.db2.gz IURCGECGPOBKMD-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1O ZINC000289307765 276319749 /nfs/dbraw/zinc/31/97/49/276319749.db2.gz CHHXJTIZHAHRPC-GFCCVEGCSA-N 1 2 333.215 3.494 20 5 EGBDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@H]1O ZINC000289307765 276319750 /nfs/dbraw/zinc/31/97/50/276319750.db2.gz CHHXJTIZHAHRPC-GFCCVEGCSA-N 1 2 333.215 3.494 20 5 EGBDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289415138 276335381 /nfs/dbraw/zinc/33/53/81/276335381.db2.gz VMZGWFCBZMWKQB-UHFFFAOYSA-N 1 2 348.230 3.106 20 5 EGBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289415138 276335383 /nfs/dbraw/zinc/33/53/83/276335383.db2.gz VMZGWFCBZMWKQB-UHFFFAOYSA-N 1 2 348.230 3.106 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000052685771 307333281 /nfs/dbraw/zinc/33/32/81/307333281.db2.gz OJNKUPIINSJLNZ-UHFFFAOYSA-N 1 2 339.355 3.075 20 5 EGBDLO CN(C)c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)[nH+]c1 ZINC000150904234 307725256 /nfs/dbraw/zinc/72/52/56/307725256.db2.gz SKGPUCCSUSCUFL-UHFFFAOYSA-N 1 2 338.314 3.269 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000414313014 309072383 /nfs/dbraw/zinc/07/23/83/309072383.db2.gz OKWUSNGDFHTITL-OAGGEKHMSA-N 1 2 332.379 3.288 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000297808358 308565156 /nfs/dbraw/zinc/56/51/56/308565156.db2.gz SZHSFHVWACADTC-ZDUSSCGKSA-N 1 2 348.790 3.205 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ncccc12 ZINC000301771664 308714744 /nfs/dbraw/zinc/71/47/44/308714744.db2.gz LFTDCFBVEKCAGG-CYBMUJFWSA-N 1 2 335.367 3.229 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302404306 308736892 /nfs/dbraw/zinc/73/68/92/308736892.db2.gz FQSXSWVMSHQPRF-UHFFFAOYSA-N 1 2 337.383 3.333 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000413465959 309033217 /nfs/dbraw/zinc/03/32/17/309033217.db2.gz WPBCRSWKUFRSTK-PMPSAXMXSA-N 1 2 331.416 3.028 20 5 EGBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417386441 309203922 /nfs/dbraw/zinc/20/39/22/309203922.db2.gz YLCXUBPTQHHWOI-IAGOWNOFSA-N 1 2 346.431 3.068 20 5 EGBDLO CSc1cccc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000421579709 309330563 /nfs/dbraw/zinc/33/05/63/309330563.db2.gz UWZNCFRVIMOYLV-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000421577839 309330625 /nfs/dbraw/zinc/33/06/25/309330625.db2.gz GIOOMXSTRHUGAD-DLBZAZTESA-N 1 2 325.368 3.027 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000421757228 309338758 /nfs/dbraw/zinc/33/87/58/309338758.db2.gz MNYAHKXLZPBRQH-CQSZACIVSA-N 1 2 328.372 3.302 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000427284080 309526389 /nfs/dbraw/zinc/52/63/89/309526389.db2.gz JZMTZOWCYRBSQN-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000446903351 309970584 /nfs/dbraw/zinc/97/05/84/309970584.db2.gz YFSIIEGTASMOPD-IBGZPJMESA-N 1 2 341.411 3.389 20 5 EGBDLO CC(C)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448798847 310018458 /nfs/dbraw/zinc/01/84/58/310018458.db2.gz ICYVSEPNYUZRSS-AWEZNQCLSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(C)c1nnc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]1 ZINC000449406681 310059369 /nfs/dbraw/zinc/05/93/69/310059369.db2.gz ZEIPXKMMXSPJQA-UHFFFAOYSA-N 1 2 341.371 3.386 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000450825804 310144343 /nfs/dbraw/zinc/14/43/43/310144343.db2.gz FLJOINNCZPRNJX-MRVPVSSYSA-N 1 2 340.181 3.142 20 5 EGBDLO O=C(CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000451046253 310157540 /nfs/dbraw/zinc/15/75/40/310157540.db2.gz FYCFTVIFNAONAX-UHFFFAOYSA-N 1 2 340.379 3.452 20 5 EGBDLO O=C(CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000451046253 310157541 /nfs/dbraw/zinc/15/75/41/310157541.db2.gz FYCFTVIFNAONAX-UHFFFAOYSA-N 1 2 340.379 3.452 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455479856 310362941 /nfs/dbraw/zinc/36/29/41/310362941.db2.gz NYVBPNXPOJXQPH-UHFFFAOYSA-N 1 2 344.371 3.245 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000459068921 310532549 /nfs/dbraw/zinc/53/25/49/310532549.db2.gz WSPPLPRUEOWUQR-LBPRGKRZSA-N 1 2 345.403 3.107 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(F)c1 ZINC000488986268 311087916 /nfs/dbraw/zinc/08/79/16/311087916.db2.gz SAIREWZCLNTKAJ-AWEZNQCLSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c(F)c1 ZINC000488986268 311087918 /nfs/dbraw/zinc/08/79/18/311087918.db2.gz SAIREWZCLNTKAJ-AWEZNQCLSA-N 1 2 349.337 3.311 20 5 EGBDLO CCn1cc[nH+]c1/C=C/C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000492405133 311246429 /nfs/dbraw/zinc/24/64/29/311246429.db2.gz BLRAUNGISPZMBC-MDZDMXLPSA-N 1 2 342.399 3.262 20 5 EGBDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000492413646 311248093 /nfs/dbraw/zinc/24/80/93/311248093.db2.gz YENDTIKXQSLYGK-WSROAFLRSA-N 1 2 328.372 3.010 20 5 EGBDLO CC(C)(C)OC(=O)NCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000496698385 311751836 /nfs/dbraw/zinc/75/18/36/311751836.db2.gz FHBKZGIDECYTRL-UHFFFAOYSA-N 1 2 332.360 3.080 20 5 EGBDLO COCC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000507169132 312061099 /nfs/dbraw/zinc/06/10/99/312061099.db2.gz IBCIZSKOYAGVTF-UHFFFAOYSA-N 1 2 333.413 3.329 20 5 EGBDLO COCC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000507169132 312061101 /nfs/dbraw/zinc/06/11/01/312061101.db2.gz IBCIZSKOYAGVTF-UHFFFAOYSA-N 1 2 333.413 3.329 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c(F)c1 ZINC000509020794 312107692 /nfs/dbraw/zinc/10/76/92/312107692.db2.gz GFPZQAGWPXLJPA-UHFFFAOYSA-N 1 2 348.305 3.381 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccsc3Cl)CC2)cn1 ZINC000517270964 312372915 /nfs/dbraw/zinc/37/29/15/312372915.db2.gz OSRYSPHGPZCHOB-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1NCCCCn1cc[nH+]c1 ZINC000045108318 454139249 /nfs/dbraw/zinc/13/92/49/454139249.db2.gz BQIFNLVBVZEONN-UHFFFAOYSA-N 1 2 339.193 3.446 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000547015937 314870253 /nfs/dbraw/zinc/87/02/53/314870253.db2.gz GOIPDDRYCZPOKL-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000162450554 454776561 /nfs/dbraw/zinc/77/65/61/454776561.db2.gz SSSMQRNRICIDQN-CYBMUJFWSA-N 1 2 343.221 3.094 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000162450554 454776566 /nfs/dbraw/zinc/77/65/66/454776566.db2.gz SSSMQRNRICIDQN-CYBMUJFWSA-N 1 2 343.221 3.094 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000579971307 325185736 /nfs/dbraw/zinc/18/57/36/325185736.db2.gz AIVRBBJBALBYJW-GJZGRUSLSA-N 1 2 334.322 3.184 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025409183 453770079 /nfs/dbraw/zinc/77/00/79/453770079.db2.gz PJXBMPSIPYCZCX-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025409183 453770083 /nfs/dbraw/zinc/77/00/83/453770083.db2.gz PJXBMPSIPYCZCX-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO CCc1cc(NC[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053560634 453887613 /nfs/dbraw/zinc/88/76/13/453887613.db2.gz NOWRDTHKAXLDKF-LBPRGKRZSA-N 1 2 328.372 3.063 20 5 EGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000067114092 453903555 /nfs/dbraw/zinc/90/35/55/453903555.db2.gz WXYBWZSHUPKOSO-ZDUSSCGKSA-N 1 2 330.388 3.287 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000042096942 453993258 /nfs/dbraw/zinc/99/32/58/453993258.db2.gz RUKZVGHDDXCOHT-SFHVURJKSA-N 1 2 345.374 3.219 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000042096645 453993454 /nfs/dbraw/zinc/99/34/54/453993454.db2.gz NAQSCDSYKOEOII-INIZCTEOSA-N 1 2 345.374 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000042096645 453993457 /nfs/dbraw/zinc/99/34/57/453993457.db2.gz NAQSCDSYKOEOII-INIZCTEOSA-N 1 2 345.374 3.047 20 5 EGBDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000077209615 454075062 /nfs/dbraw/zinc/07/50/62/454075062.db2.gz BRZDDIORPAVVFY-UHFFFAOYSA-N 1 2 349.753 3.324 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438218 454101376 /nfs/dbraw/zinc/10/13/76/454101376.db2.gz SUECBKNWUIOXHN-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438218 454101381 /nfs/dbraw/zinc/10/13/81/454101381.db2.gz SUECBKNWUIOXHN-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO CCc1cc(N[C@@H](C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000088758084 454118860 /nfs/dbraw/zinc/11/88/60/454118860.db2.gz JIDDCJRNVFIWFF-LBPRGKRZSA-N 1 2 330.388 3.187 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000045026563 454133667 /nfs/dbraw/zinc/13/36/67/454133667.db2.gz BPILQANKOVIKKQ-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO Cc1c(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cccc1[N+](=O)[O-] ZINC000184630561 455417503 /nfs/dbraw/zinc/41/75/03/455417503.db2.gz BBEGMOPTFYLZBO-CQSZACIVSA-N 1 2 346.456 3.239 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000119477243 454199085 /nfs/dbraw/zinc/19/90/85/454199085.db2.gz BTISXLVKDFWFSH-KRWDZBQOSA-N 1 2 332.787 3.340 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000119477243 454199089 /nfs/dbraw/zinc/19/90/89/454199089.db2.gz BTISXLVKDFWFSH-KRWDZBQOSA-N 1 2 332.787 3.340 20 5 EGBDLO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131425120 454253326 /nfs/dbraw/zinc/25/33/26/454253326.db2.gz LWPGNNKYZUWFGM-UHFFFAOYSA-N 1 2 344.367 3.095 20 5 EGBDLO CCc1oc(C(=O)OC)cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131425120 454253329 /nfs/dbraw/zinc/25/33/29/454253329.db2.gz LWPGNNKYZUWFGM-UHFFFAOYSA-N 1 2 344.367 3.095 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072585048 454314210 /nfs/dbraw/zinc/31/42/10/454314210.db2.gz MEHOMLQACRNEHG-UHFFFAOYSA-N 1 2 333.310 3.116 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072585048 454314215 /nfs/dbraw/zinc/31/42/15/454314215.db2.gz MEHOMLQACRNEHG-UHFFFAOYSA-N 1 2 333.310 3.116 20 5 EGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000047492357 454377950 /nfs/dbraw/zinc/37/79/50/454377950.db2.gz BRWZMBCBOWHXMM-UHFFFAOYSA-N 1 2 336.351 3.053 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cn2cccc(C)c2[nH+]1 ZINC000091628572 454451602 /nfs/dbraw/zinc/45/16/02/454451602.db2.gz BXWSIPQWASBXKX-UHFFFAOYSA-N 1 2 326.356 3.309 20 5 EGBDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091987217 454500576 /nfs/dbraw/zinc/50/05/76/454500576.db2.gz SKVKKLVVTZGTJE-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091987217 454500580 /nfs/dbraw/zinc/50/05/80/454500580.db2.gz SKVKKLVVTZGTJE-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103964196 454570330 /nfs/dbraw/zinc/57/03/30/454570330.db2.gz NRLKWLOCNIDALX-UHFFFAOYSA-N 1 2 338.323 3.002 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000135235243 454651429 /nfs/dbraw/zinc/65/14/29/454651429.db2.gz PECBFBCTVWBZFM-DEOSSOPVSA-N 1 2 344.436 3.367 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000135235243 454651431 /nfs/dbraw/zinc/65/14/31/454651431.db2.gz PECBFBCTVWBZFM-DEOSSOPVSA-N 1 2 344.436 3.367 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000162577578 454785940 /nfs/dbraw/zinc/78/59/40/454785940.db2.gz FWTAXTLWRQXYRA-AWEZNQCLSA-N 1 2 329.360 3.385 20 5 EGBDLO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccn1 ZINC000125303707 454812685 /nfs/dbraw/zinc/81/26/85/454812685.db2.gz MKUYQPORPLEGRZ-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccn1 ZINC000125303707 454812691 /nfs/dbraw/zinc/81/26/91/454812691.db2.gz MKUYQPORPLEGRZ-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000164170800 454876648 /nfs/dbraw/zinc/87/66/48/454876648.db2.gz NUPUSCYLFUELKP-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000112114856 454881153 /nfs/dbraw/zinc/88/11/53/454881153.db2.gz ZCSSFHNKQYMLHL-CYBMUJFWSA-N 1 2 334.763 3.339 20 5 EGBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000155113553 454964236 /nfs/dbraw/zinc/96/42/36/454964236.db2.gz OOVJZKNTNZVLFS-UHFFFAOYSA-N 1 2 345.399 3.155 20 5 EGBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000155113553 454964239 /nfs/dbraw/zinc/96/42/39/454964239.db2.gz OOVJZKNTNZVLFS-UHFFFAOYSA-N 1 2 345.399 3.155 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179841090 455087212 /nfs/dbraw/zinc/08/72/12/455087212.db2.gz RMXOHWMQDAXCGT-HNNXBMFYSA-N 1 2 346.387 3.351 20 5 EGBDLO CC1(C)C[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC(C)(C)O1 ZINC000190559526 455343657 /nfs/dbraw/zinc/34/36/57/455343657.db2.gz BJTYDYAKASVISQ-UHFFFAOYSA-N 1 2 346.387 3.034 20 5 EGBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000292202076 455595223 /nfs/dbraw/zinc/59/52/23/455595223.db2.gz PPUHMDBADIIYOI-MRXNPFEDSA-N 1 2 329.404 3.167 20 5 EGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1n1cc[nH+]c1 ZINC000268298608 455643397 /nfs/dbraw/zinc/64/33/97/455643397.db2.gz XIFULWBZVRXBNX-SUMWQHHRSA-N 1 2 337.383 3.427 20 5 EGBDLO Cc1c(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000186067471 455687172 /nfs/dbraw/zinc/68/71/72/455687172.db2.gz CPMOVQORACVCNH-UHFFFAOYSA-N 1 2 330.306 3.247 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296192833 455877131 /nfs/dbraw/zinc/87/71/31/455877131.db2.gz MWKJBOGYQSTVEP-CQSZACIVSA-N 1 2 343.387 3.252 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270238256 455910206 /nfs/dbraw/zinc/91/02/06/455910206.db2.gz HJJCVYUEHMGPGF-JTQLQIEISA-N 1 2 343.305 3.116 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270238256 455910208 /nfs/dbraw/zinc/91/02/08/455910208.db2.gz HJJCVYUEHMGPGF-JTQLQIEISA-N 1 2 343.305 3.116 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301431361 456113868 /nfs/dbraw/zinc/11/38/68/456113868.db2.gz GRMVLIVZYMCSMH-LJQANCHMSA-N 1 2 341.411 3.389 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCCCO2 ZINC000271073836 456118140 /nfs/dbraw/zinc/11/81/40/456118140.db2.gz NCPTUSAFPZECNC-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCCCO2 ZINC000271073836 456118143 /nfs/dbraw/zinc/11/81/43/456118143.db2.gz NCPTUSAFPZECNC-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271199182 456168910 /nfs/dbraw/zinc/16/89/10/456168910.db2.gz OYBVMABBXWPZNG-IPKGXFCISA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271199182 456168920 /nfs/dbraw/zinc/16/89/20/456168920.db2.gz OYBVMABBXWPZNG-IPKGXFCISA-N 1 2 348.424 3.196 20 5 EGBDLO CCOc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000301786169 456213700 /nfs/dbraw/zinc/21/37/00/456213700.db2.gz WCVJJAYOWUXHQQ-CQSZACIVSA-N 1 2 328.372 3.079 20 5 EGBDLO CO[C@@H](C)c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282450338 456518328 /nfs/dbraw/zinc/51/83/28/456518328.db2.gz LSYBCWJSVGHXBH-LBPRGKRZSA-N 1 2 335.429 3.433 20 5 EGBDLO CO[C@@H](C)c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282450338 456518334 /nfs/dbraw/zinc/51/83/34/456518334.db2.gz LSYBCWJSVGHXBH-LBPRGKRZSA-N 1 2 335.429 3.433 20 5 EGBDLO CC(C)[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276648218 456540767 /nfs/dbraw/zinc/54/07/67/456540767.db2.gz RRNBYERWYGOZBD-FZMZJTMJSA-N 1 2 348.428 3.312 20 5 EGBDLO Cn1c(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)ccc1[N+](=O)[O-] ZINC000353217280 456567606 /nfs/dbraw/zinc/56/76/06/456567606.db2.gz YAKBEHAWTKSENU-UHFFFAOYSA-N 1 2 338.323 3.373 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000341001037 456808192 /nfs/dbraw/zinc/80/81/92/456808192.db2.gz SESZTGURXIPKOI-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000341001037 456808201 /nfs/dbraw/zinc/80/82/01/456808201.db2.gz SESZTGURXIPKOI-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000301205110 456821873 /nfs/dbraw/zinc/82/18/73/456821873.db2.gz RHEMFRUOPDUBOC-QGZVFWFLSA-N 1 2 345.374 3.219 20 5 EGBDLO CC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000301244914 456831909 /nfs/dbraw/zinc/83/19/09/456831909.db2.gz KVHCDCKEPSJTNU-CJNGLKHVSA-N 1 2 342.399 3.364 20 5 EGBDLO COc1cc(C)c([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000339069799 456925904 /nfs/dbraw/zinc/92/59/04/456925904.db2.gz LQTBIDOCTZWFRT-LBPRGKRZSA-N 1 2 346.383 3.477 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1cccs1 ZINC000349564680 456988979 /nfs/dbraw/zinc/98/89/79/456988979.db2.gz LHCDXEMZGWDOAB-UHFFFAOYSA-N 1 2 347.440 3.143 20 5 EGBDLO Cc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000360018147 457206585 /nfs/dbraw/zinc/20/65/85/457206585.db2.gz STXCWSJVEQHJPB-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO Cc1ccn2cc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000347221041 457294557 /nfs/dbraw/zinc/29/45/57/457294557.db2.gz CZWGOZIIVFGWFR-UHFFFAOYSA-N 1 2 343.318 3.012 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000332379794 457359209 /nfs/dbraw/zinc/35/92/09/457359209.db2.gz YOWLBANNSZBIHP-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000332379794 457359212 /nfs/dbraw/zinc/35/92/12/457359212.db2.gz YOWLBANNSZBIHP-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000332379794 457359214 /nfs/dbraw/zinc/35/92/14/457359214.db2.gz YOWLBANNSZBIHP-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000332379794 457359218 /nfs/dbraw/zinc/35/92/18/457359218.db2.gz YOWLBANNSZBIHP-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000332379794 457359221 /nfs/dbraw/zinc/35/92/21/457359221.db2.gz YOWLBANNSZBIHP-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000332379794 457359223 /nfs/dbraw/zinc/35/92/23/457359223.db2.gz YOWLBANNSZBIHP-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570247 457473914 /nfs/dbraw/zinc/47/39/14/457473914.db2.gz FCQHGYXYFROQLW-UHFFFAOYSA-N 1 2 341.367 3.224 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000352570247 457473923 /nfs/dbraw/zinc/47/39/23/457473923.db2.gz FCQHGYXYFROQLW-UHFFFAOYSA-N 1 2 341.367 3.224 20 5 EGBDLO C[C@H](CCC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000347506638 457474074 /nfs/dbraw/zinc/47/40/74/457474074.db2.gz RVMPNZMCPUECCY-GFCCVEGCSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000357445147 457531020 /nfs/dbraw/zinc/53/10/20/457531020.db2.gz AOVLCKVNKIEHIY-NSHDSACASA-N 1 2 342.380 3.362 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000364813590 457698398 /nfs/dbraw/zinc/69/83/98/457698398.db2.gz QFOJGVCFGFOKTQ-NSHDSACASA-N 1 2 348.790 3.002 20 5 EGBDLO Cc1[nH]c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)cc2[nH+]1 ZINC000358299388 457919899 /nfs/dbraw/zinc/91/98/99/457919899.db2.gz GRCVMTUWPODQTJ-UHFFFAOYSA-N 1 2 328.303 3.100 20 5 EGBDLO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000411918562 458009504 /nfs/dbraw/zinc/00/95/04/458009504.db2.gz DBJYHSRPASDBHA-GDBMZVCRSA-N 1 2 346.358 3.050 20 5 EGBDLO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000411918562 458009508 /nfs/dbraw/zinc/00/95/08/458009508.db2.gz DBJYHSRPASDBHA-GDBMZVCRSA-N 1 2 346.358 3.050 20 5 EGBDLO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1occc1C ZINC000412024244 458050635 /nfs/dbraw/zinc/05/06/35/458050635.db2.gz FLALHYPVYHVZPK-UHFFFAOYSA-N 1 2 331.372 3.265 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1occc1C ZINC000412024244 458050641 /nfs/dbraw/zinc/05/06/41/458050641.db2.gz FLALHYPVYHVZPK-UHFFFAOYSA-N 1 2 331.372 3.265 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000446302439 458174242 /nfs/dbraw/zinc/17/42/42/458174242.db2.gz ODTBHBDVKUFSQY-UHFFFAOYSA-N 1 2 336.351 3.223 20 5 EGBDLO CC(C)Oc1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000412394197 458190467 /nfs/dbraw/zinc/19/04/67/458190467.db2.gz FQDZDIGYMGTRJX-AAEUAGOBSA-N 1 2 344.371 3.014 20 5 EGBDLO COC(=O)c1oc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1C ZINC000429256541 458300560 /nfs/dbraw/zinc/30/05/60/458300560.db2.gz QNSFJMCWUORZET-UHFFFAOYSA-N 1 2 332.356 3.308 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437585786 458471558 /nfs/dbraw/zinc/47/15/58/458471558.db2.gz XCBLHABTSUPQCV-SUMWQHHRSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437585786 458471563 /nfs/dbraw/zinc/47/15/63/458471563.db2.gz XCBLHABTSUPQCV-SUMWQHHRSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000373638773 458561044 /nfs/dbraw/zinc/56/10/44/458561044.db2.gz NFHYCDZTEYFVFK-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000373638773 458561048 /nfs/dbraw/zinc/56/10/48/458561048.db2.gz NFHYCDZTEYFVFK-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493784726 458567125 /nfs/dbraw/zinc/56/71/25/458567125.db2.gz IGLAYECBIRGUOK-XQRVVYSFSA-N 1 2 331.759 3.279 20 5 EGBDLO CCC[N@H+](CC(=O)OC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471820639 458737360 /nfs/dbraw/zinc/73/73/60/458737360.db2.gz HPZSFKRKMIRMBH-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471820639 458737367 /nfs/dbraw/zinc/73/73/67/458737367.db2.gz HPZSFKRKMIRMBH-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000595036098 459224912 /nfs/dbraw/zinc/22/49/12/459224912.db2.gz OXOUGTFJKUTCLR-WDEREUQCSA-N 1 2 333.392 3.257 20 5 EGBDLO CCOC(=O)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000522548832 459247980 /nfs/dbraw/zinc/24/79/80/459247980.db2.gz NLZHBDCJWHGWFU-UHFFFAOYSA-N 1 2 328.796 3.269 20 5 EGBDLO CCOC(=O)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000522548832 459247983 /nfs/dbraw/zinc/24/79/83/459247983.db2.gz NLZHBDCJWHGWFU-UHFFFAOYSA-N 1 2 328.796 3.269 20 5 EGBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])oc1C ZINC000595288069 459267919 /nfs/dbraw/zinc/26/79/19/459267919.db2.gz GCVLLLOKLIWTLC-UHFFFAOYSA-N 1 2 336.319 3.054 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])oc1C ZINC000595288069 459267921 /nfs/dbraw/zinc/26/79/21/459267921.db2.gz GCVLLLOKLIWTLC-UHFFFAOYSA-N 1 2 336.319 3.054 20 5 EGBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1[N+](=O)[O-] ZINC000595413500 459294384 /nfs/dbraw/zinc/29/43/84/459294384.db2.gz SYCFCJXIWXLZDJ-SNVBAGLBSA-N 1 2 344.371 3.091 20 5 EGBDLO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000595597307 459359447 /nfs/dbraw/zinc/35/94/47/459359447.db2.gz XKHPDIQJPQHSOK-GFCCVEGCSA-N 1 2 338.404 3.156 20 5 EGBDLO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000595597307 459359454 /nfs/dbraw/zinc/35/94/54/459359454.db2.gz XKHPDIQJPQHSOK-GFCCVEGCSA-N 1 2 338.404 3.156 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000595657838 459385998 /nfs/dbraw/zinc/38/59/98/459385998.db2.gz PONJKAAFTSTKSY-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000595657838 459386005 /nfs/dbraw/zinc/38/60/05/459386005.db2.gz PONJKAAFTSTKSY-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO COc1ccc2[nH+]c(C)cc(OCc3onc(C)c3[N+](=O)[O-])c2c1 ZINC000596015152 459496158 /nfs/dbraw/zinc/49/61/58/459496158.db2.gz ZCLULUCACRIVIL-UHFFFAOYSA-N 1 2 329.312 3.335 20 5 EGBDLO Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c([N+](=O)[O-])s1 ZINC000596130072 459531506 /nfs/dbraw/zinc/53/15/06/459531506.db2.gz VFGKOSCPENOQJF-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO COc1cc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c([N+](=O)[O-])cc1O ZINC000608781930 459881747 /nfs/dbraw/zinc/88/17/47/459881747.db2.gz GAMCFAMDZAKVBJ-GWCFXTLKSA-N 1 2 332.356 3.315 20 5 EGBDLO C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598460955 459904186 /nfs/dbraw/zinc/90/41/86/459904186.db2.gz XPPLXCKOZLBTCM-NSHDSACASA-N 1 2 330.388 3.117 20 5 EGBDLO COc1ccc(-c2ccc(C[NH2+]Cc3cocn3)o2)c([N+](=O)[O-])c1 ZINC000609354160 459950012 /nfs/dbraw/zinc/95/00/12/459950012.db2.gz QCKIJYJLBNAFET-UHFFFAOYSA-N 1 2 329.312 3.141 20 5 EGBDLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000575333471 459962317 /nfs/dbraw/zinc/96/23/17/459962317.db2.gz PJPIFUDMHGHDOR-KRWDZBQOSA-N 1 2 346.358 3.123 20 5 EGBDLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000575333471 459962324 /nfs/dbraw/zinc/96/23/24/459962324.db2.gz PJPIFUDMHGHDOR-KRWDZBQOSA-N 1 2 346.358 3.123 20 5 EGBDLO Cc1cc(N2CCOCC2)ccc1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602491525 459966290 /nfs/dbraw/zinc/96/62/90/459966290.db2.gz AGXIAASSSDURRC-UHFFFAOYSA-N 1 2 341.411 3.394 20 5 EGBDLO Cc1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)on1 ZINC000602594741 460015816 /nfs/dbraw/zinc/01/58/16/460015816.db2.gz SWYAJDBPJXFICC-UHFFFAOYSA-N 1 2 332.179 3.005 20 5 EGBDLO CO[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1C ZINC000602683444 460064022 /nfs/dbraw/zinc/06/40/22/460064022.db2.gz AZBRCHKZIYVQAO-KCJUWKMLSA-N 1 2 349.250 3.276 20 5 EGBDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1C ZINC000602683444 460064033 /nfs/dbraw/zinc/06/40/33/460064033.db2.gz AZBRCHKZIYVQAO-KCJUWKMLSA-N 1 2 349.250 3.276 20 5 EGBDLO COc1ccc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000614922348 460245654 /nfs/dbraw/zinc/24/56/54/460245654.db2.gz PVBFDIAYGPPHCA-CQSZACIVSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1ccc(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000614922348 460245661 /nfs/dbraw/zinc/24/56/61/460245661.db2.gz PVBFDIAYGPPHCA-CQSZACIVSA-N 1 2 348.321 3.147 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599686396 460310940 /nfs/dbraw/zinc/31/09/40/460310940.db2.gz DLMJPRNVBGCSSK-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599686396 460310945 /nfs/dbraw/zinc/31/09/45/460310945.db2.gz DLMJPRNVBGCSSK-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO COc1cc(C[N@@H+]2CCOc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000611262853 460321466 /nfs/dbraw/zinc/32/14/66/460321466.db2.gz SISJNTPPZSFJSR-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1cc(C[N@H+]2CCOc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000611262853 460321469 /nfs/dbraw/zinc/32/14/69/460321469.db2.gz SISJNTPPZSFJSR-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc(C)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000604408788 460421928 /nfs/dbraw/zinc/42/19/28/460421928.db2.gz NUGBZJZZAWPDOI-UHFFFAOYSA-N 1 2 347.440 3.296 20 5 EGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCCn1cc[nH+]c1 ZINC000604529467 460441482 /nfs/dbraw/zinc/44/14/82/460441482.db2.gz FDGKRZVRXYNZBH-UHFFFAOYSA-N 1 2 330.388 3.009 20 5 EGBDLO CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000172556099 534955758 /nfs/dbraw/zinc/95/57/58/534955758.db2.gz AQMKYWJFKVDHDJ-UHFFFAOYSA-N 1 2 328.372 3.184 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cn3cccc(C)c3[nH+]2)c1 ZINC000745390097 576847292 /nfs/dbraw/zinc/84/72/92/576847292.db2.gz VTOHTCNXOYDRRZ-UHFFFAOYSA-N 1 2 325.324 3.216 20 5 EGBDLO C[N@@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000044756269 1291492734 /nfs/dbraw/zinc/49/27/34/1291492734.db2.gz NDOXCVPHJPFTQV-UHFFFAOYSA-N 1 2 347.758 3.246 20 5 EGBDLO C[N@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000044756269 1291492737 /nfs/dbraw/zinc/49/27/37/1291492737.db2.gz NDOXCVPHJPFTQV-UHFFFAOYSA-N 1 2 347.758 3.246 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000113695062 1293156893 /nfs/dbraw/zinc/15/68/93/1293156893.db2.gz VDKLHWFLJNNIRR-OKILXGFUSA-N 1 2 349.431 3.425 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000113695062 1293156898 /nfs/dbraw/zinc/15/68/98/1293156898.db2.gz VDKLHWFLJNNIRR-OKILXGFUSA-N 1 2 349.431 3.425 20 5 EGBDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)[nH]1 ZINC000872050567 1296701539 /nfs/dbraw/zinc/70/15/39/1296701539.db2.gz CDYAALLITHHFKK-ZJUUUORDSA-N 1 2 335.433 3.409 20 5 EGBDLO Cc1[nH]c(CNc2ccc([N+](=O)[O-])cc2Br)[nH+]c1C ZINC000708974863 1298248655 /nfs/dbraw/zinc/24/86/55/1298248655.db2.gz OTJKAUYLFCOZOS-UHFFFAOYSA-N 1 2 325.166 3.309 20 5 EGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@H](C2CC2)CC1=O ZINC000762486179 1301689011 /nfs/dbraw/zinc/68/90/11/1301689011.db2.gz HJWNTJJTDYFECT-MRXNPFEDSA-N 1 2 331.416 3.021 20 5 EGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@H](C2CC2)CC1=O ZINC000762486179 1301689016 /nfs/dbraw/zinc/68/90/16/1301689016.db2.gz HJWNTJJTDYFECT-MRXNPFEDSA-N 1 2 331.416 3.021 20 5 EGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000881802178 1301725839 /nfs/dbraw/zinc/72/58/39/1301725839.db2.gz WLZSVJAOBKIQKE-QMMMGPOBSA-N 1 2 343.156 3.194 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(N(C)C)[nH+]1 ZINC000764322301 1302044418 /nfs/dbraw/zinc/04/44/18/1302044418.db2.gz AYRPCGPEVSDYAY-UHFFFAOYSA-N 1 2 334.763 3.270 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769997448 1303204305 /nfs/dbraw/zinc/20/43/05/1303204305.db2.gz KFALMBNLBGMPLZ-JTQLQIEISA-N 1 2 349.778 3.003 20 5 EGBDLO Cc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)o1 ZINC000771188415 1303373324 /nfs/dbraw/zinc/37/33/24/1303373324.db2.gz QNNHBPWGJVPLCE-UHFFFAOYSA-N 1 2 337.295 3.399 20 5 EGBDLO Cc1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000775120621 1303912466 /nfs/dbraw/zinc/91/24/66/1303912466.db2.gz VRWGJHRYUCZHRO-UHFFFAOYSA-N 1 2 327.340 3.370 20 5 EGBDLO Cc1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000775120621 1303912469 /nfs/dbraw/zinc/91/24/69/1303912469.db2.gz VRWGJHRYUCZHRO-UHFFFAOYSA-N 1 2 327.340 3.370 20 5 EGBDLO Cc1nn(C[NH+]2CC(C)(C)OC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000785514972 1305370677 /nfs/dbraw/zinc/37/06/77/1305370677.db2.gz IIFCEERUVCLYIA-UHFFFAOYSA-N 1 2 332.404 3.100 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1F ZINC000790184646 1306273252 /nfs/dbraw/zinc/27/32/52/1306273252.db2.gz XGPSUNOYOKMOAU-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000804381823 1317226558 /nfs/dbraw/zinc/22/65/58/1317226558.db2.gz RXOFOZIBPJWQPB-UHFFFAOYSA-N 1 2 339.311 3.301 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1nncn1C)C(C)C ZINC000903066542 1317646883 /nfs/dbraw/zinc/64/68/83/1317646883.db2.gz VUNJSHJKWFRYLK-ABAIWWIYSA-N 1 2 349.460 3.493 20 5 EGBDLO Cc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)oc1C ZINC000813171898 1318508890 /nfs/dbraw/zinc/50/88/90/1318508890.db2.gz WOEIGCKRWGOQEE-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO Cc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)oc1C ZINC000813171898 1318508896 /nfs/dbraw/zinc/50/88/96/1318508896.db2.gz WOEIGCKRWGOQEE-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO Cc1cc([NH+](C)C)ccc1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819409760 1319720665 /nfs/dbraw/zinc/72/06/65/1319720665.db2.gz VEJDIBNNUOOFDO-UHFFFAOYSA-N 1 2 342.399 3.410 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000845509533 1321714265 /nfs/dbraw/zinc/71/42/65/1321714265.db2.gz ROUIAWALMFUDBF-JTQLQIEISA-N 1 2 336.754 3.473 20 5 EGBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cn(C)cn1 ZINC000926303785 1325508850 /nfs/dbraw/zinc/50/88/50/1325508850.db2.gz NUUUJTNRRFGWEF-VIFPVBQESA-N 1 2 328.294 3.198 20 5 EGBDLO O=[N+]([O-])c1cc(CO)c(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC000865428214 1329695952 /nfs/dbraw/zinc/69/59/52/1329695952.db2.gz QIVYBRGPKXSBTF-UHFFFAOYSA-N 1 2 346.362 3.355 20 5 EGBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000867627997 1330211737 /nfs/dbraw/zinc/21/17/37/1330211737.db2.gz NEKSGXFTEOBBAQ-UHFFFAOYSA-N 1 2 349.412 3.126 20 5 EGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC001324413499 1387619013 /nfs/dbraw/zinc/61/90/13/1387619013.db2.gz PPHXNIVJALTCEE-UHFFFAOYSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1nccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1[N+](=O)[O-] ZINC001214099760 1373008527 /nfs/dbraw/zinc/00/85/27/1373008527.db2.gz WIFGPAGLRTVQJW-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CC2(F)F)c1Cl ZINC001218232777 1373580313 /nfs/dbraw/zinc/58/03/13/1373580313.db2.gz GDJSHTPJDFKVBN-VIFPVBQESA-N 1 2 341.141 3.450 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001225682242 1375143350 /nfs/dbraw/zinc/14/33/50/1375143350.db2.gz JPPWDULNIRIKCK-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001225682242 1375143353 /nfs/dbraw/zinc/14/33/53/1375143353.db2.gz JPPWDULNIRIKCK-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226970529 1375374516 /nfs/dbraw/zinc/37/45/16/1375374516.db2.gz YOVQGSZTGUJHPM-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226970529 1375374527 /nfs/dbraw/zinc/37/45/27/1375374527.db2.gz YOVQGSZTGUJHPM-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO O=[N+]([O-])c1ccc2ccnc(OC3C[NH+](Cc4ccccc4)C3)c2c1 ZINC001229005239 1375733804 /nfs/dbraw/zinc/73/38/04/1375733804.db2.gz FXIQUDWVUCQLNJ-UHFFFAOYSA-N 1 2 335.363 3.406 20 5 EGBDLO Cc1ccc(N2CCC(Oc3cc([N+](=O)[O-])c(C)cc3O)CC2)[nH+]c1 ZINC001229753406 1375885829 /nfs/dbraw/zinc/88/58/29/1375885829.db2.gz IUCNECXNGGHEEJ-UHFFFAOYSA-N 1 2 343.383 3.360 20 5 EGBDLO CC(C)n1c[nH+]cc1CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001161570521 1382441862 /nfs/dbraw/zinc/44/18/62/1382441862.db2.gz ZHSWWGFDMZTZGV-UHFFFAOYSA-N 1 2 338.371 3.441 20 5 EGBDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001167123812 1383545531 /nfs/dbraw/zinc/54/55/31/1383545531.db2.gz IHHCHVZXIWUZNA-UHFFFAOYSA-N 1 2 337.383 3.489 20 5 EGBDLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216494 1384937840 /nfs/dbraw/zinc/93/78/40/1384937840.db2.gz BXFBTLLGWFYVTI-DYVFJYSZSA-N 1 2 334.416 3.237 20 5 EGBDLO C[C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC001353394292 1392001852 /nfs/dbraw/zinc/00/18/52/1392001852.db2.gz DVZGGQSSHSXEKY-IAQYHMDHSA-N 1 2 347.350 3.045 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000368563260 168373668 /nfs/dbraw/zinc/37/36/68/168373668.db2.gz SSSVMHKWDOVOGH-SJCJKPOMSA-N 1 2 328.372 3.081 20 5 EGBDLO CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187458971 529477249 /nfs/dbraw/zinc/47/72/49/529477249.db2.gz ROBMVJYYAJSHAC-GXTWGEPZSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599699 213804402 /nfs/dbraw/zinc/80/44/02/213804402.db2.gz JQLQZXBGOSTWEZ-NPCAHTBFSA-N 1 2 333.432 3.110 20 5 EGBDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599699 213804406 /nfs/dbraw/zinc/80/44/06/213804406.db2.gz JQLQZXBGOSTWEZ-NPCAHTBFSA-N 1 2 333.432 3.110 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3sccc3C2)c2c(c1)COCO2 ZINC000021418644 202065667 /nfs/dbraw/zinc/06/56/67/202065667.db2.gz FGACKSMPDSLNQY-UHFFFAOYSA-N 1 2 332.381 3.081 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3sccc3C2)c2c(c1)COCO2 ZINC000021418644 202065668 /nfs/dbraw/zinc/06/56/68/202065668.db2.gz FGACKSMPDSLNQY-UHFFFAOYSA-N 1 2 332.381 3.081 20 5 EGBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000072861978 203249057 /nfs/dbraw/zinc/24/90/57/203249057.db2.gz LCJGAJFEBMJIQV-QWHCGFSZSA-N 1 2 337.445 3.058 20 5 EGBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000072861978 203249060 /nfs/dbraw/zinc/24/90/60/203249060.db2.gz LCJGAJFEBMJIQV-QWHCGFSZSA-N 1 2 337.445 3.058 20 5 EGBDLO Cc1cc(NCc2[nH+]ccn2C)c(Br)cc1[N+](=O)[O-] ZINC000235869676 203497523 /nfs/dbraw/zinc/49/75/23/203497523.db2.gz MPUHIAPAKYPMMQ-UHFFFAOYSA-N 1 2 325.166 3.011 20 5 EGBDLO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnn(C)c1 ZINC000266123186 248112018 /nfs/dbraw/zinc/11/20/18/248112018.db2.gz ALSZWAWJLKJGDN-NSHDSACASA-N 1 2 343.412 3.303 20 5 EGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000347953334 141224587 /nfs/dbraw/zinc/22/45/87/141224587.db2.gz IMSWJRSQRUCWOY-UHFFFAOYSA-N 1 2 340.314 3.231 20 5 EGBDLO O=[N+]([O-])c1ccc(CNC[C@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000350631348 141257999 /nfs/dbraw/zinc/25/79/99/141257999.db2.gz HIUXYILGVGBUHP-MRXNPFEDSA-N 1 2 333.363 3.254 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1 ZINC000356230905 141323574 /nfs/dbraw/zinc/32/35/74/141323574.db2.gz WQVWNHAVUIXRFZ-UHFFFAOYSA-N 1 2 348.428 3.114 20 5 EGBDLO O=[N+]([O-])c1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)c(F)c1 ZINC000341427439 155286445 /nfs/dbraw/zinc/28/64/45/155286445.db2.gz PDUAKVMVKSYKAW-UHFFFAOYSA-N 1 2 325.303 3.198 20 5 EGBDLO CN(C)C(=O)C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000341446544 155295739 /nfs/dbraw/zinc/29/57/39/155295739.db2.gz AADROUYCBKLNBF-MRXNPFEDSA-N 1 2 345.374 3.043 20 5 EGBDLO CCN(CC)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000153589892 152545847 /nfs/dbraw/zinc/54/58/47/152545847.db2.gz RISWLBYIQRVGKP-UHFFFAOYSA-N 1 2 335.795 3.497 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000338386942 163220361 /nfs/dbraw/zinc/22/03/61/163220361.db2.gz VPLWLMFAQGSLED-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000338386942 163220363 /nfs/dbraw/zinc/22/03/63/163220363.db2.gz VPLWLMFAQGSLED-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO Cc1cc(NCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338664369 163310542 /nfs/dbraw/zinc/31/05/42/163310542.db2.gz JXJCUQJAOGSHCE-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338664369 163310549 /nfs/dbraw/zinc/31/05/49/163310549.db2.gz JXJCUQJAOGSHCE-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338890450 163376540 /nfs/dbraw/zinc/37/65/40/163376540.db2.gz RWTSDPGSPUEWMJ-UHFFFAOYSA-N 1 2 346.383 3.340 20 5 EGBDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338890450 163376542 /nfs/dbraw/zinc/37/65/42/163376542.db2.gz RWTSDPGSPUEWMJ-UHFFFAOYSA-N 1 2 346.383 3.340 20 5 EGBDLO Cc1ccc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000344092109 164101544 /nfs/dbraw/zinc/10/15/44/164101544.db2.gz AOSNENBJUUMHRL-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000355503313 166223678 /nfs/dbraw/zinc/22/36/78/166223678.db2.gz FOTCHBLUDATDCR-IBGZPJMESA-N 1 2 342.395 3.074 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000355503313 166223679 /nfs/dbraw/zinc/22/36/79/166223679.db2.gz FOTCHBLUDATDCR-IBGZPJMESA-N 1 2 342.395 3.074 20 5 EGBDLO COc1ccc2cc(C[N@H+](C)Cc3c([N+](=O)[O-])ncn3C)ccc2c1 ZINC000355782873 166308022 /nfs/dbraw/zinc/30/80/22/166308022.db2.gz GLUFYZTXMGNZSJ-UHFFFAOYSA-N 1 2 340.383 3.122 20 5 EGBDLO COc1ccc2cc(C[N@@H+](C)Cc3c([N+](=O)[O-])ncn3C)ccc2c1 ZINC000355782873 166308023 /nfs/dbraw/zinc/30/80/23/166308023.db2.gz GLUFYZTXMGNZSJ-UHFFFAOYSA-N 1 2 340.383 3.122 20 5 EGBDLO Cc1cc(N(C)CCc2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000174885159 265078433 /nfs/dbraw/zinc/07/84/33/265078433.db2.gz ALPZFOKBDHKDRY-UHFFFAOYSA-N 1 2 349.394 3.434 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2F)CC1 ZINC000270702423 266545808 /nfs/dbraw/zinc/54/58/08/266545808.db2.gz VBTBEXKTUOYSOV-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)s1 ZINC000273587373 267063564 /nfs/dbraw/zinc/06/35/64/267063564.db2.gz IPWXLHLUQDFLRF-SNVBAGLBSA-N 1 2 336.417 3.393 20 5 EGBDLO Cc1cc(N[C@H]2CCC[C@@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275048922 275251529 /nfs/dbraw/zinc/25/15/29/275251529.db2.gz SIUFYUVSBFQPME-CJNGLKHVSA-N 1 2 342.399 3.323 20 5 EGBDLO CN1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc21 ZINC000267583846 277109743 /nfs/dbraw/zinc/10/97/43/277109743.db2.gz HHBKZDORXVEJFX-UHFFFAOYSA-N 1 2 338.367 3.188 20 5 EGBDLO CN1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc21 ZINC000267583846 277109745 /nfs/dbraw/zinc/10/97/45/277109745.db2.gz HHBKZDORXVEJFX-UHFFFAOYSA-N 1 2 338.367 3.188 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000361737591 281054272 /nfs/dbraw/zinc/05/42/72/281054272.db2.gz OPADVVJMXKXDSP-UHFFFAOYSA-N 1 2 340.379 3.328 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000361737591 281054275 /nfs/dbraw/zinc/05/42/75/281054275.db2.gz OPADVVJMXKXDSP-UHFFFAOYSA-N 1 2 340.379 3.328 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC000061018673 307352246 /nfs/dbraw/zinc/35/22/46/307352246.db2.gz YASPTZSVBHKCFN-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000153729165 307779389 /nfs/dbraw/zinc/77/93/89/307779389.db2.gz JXRGIEPPMZFFHI-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO Cc1cc(Cl)c(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000295295361 308311897 /nfs/dbraw/zinc/31/18/97/308311897.db2.gz QNJUCASFGBMTIG-UHFFFAOYSA-N 1 2 348.790 3.184 20 5 EGBDLO CCO[C@@H]1C[C@](O)(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000413267673 309024299 /nfs/dbraw/zinc/02/42/99/309024299.db2.gz QTZZHXZCHNYASP-QAPCUYQASA-N 1 2 345.399 3.121 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(OC3CCC3)CC2)c(F)c1 ZINC000419294286 309263447 /nfs/dbraw/zinc/26/34/47/309263447.db2.gz BHNZKTXNKIYQMK-UHFFFAOYSA-N 1 2 326.343 3.407 20 5 EGBDLO Cc1cc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000420842095 309297644 /nfs/dbraw/zinc/29/76/44/309297644.db2.gz LEYONISOVCVHDZ-ZDUSSCGKSA-N 1 2 328.372 3.167 20 5 EGBDLO CC[C@H]1C[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420956816 309304133 /nfs/dbraw/zinc/30/41/33/309304133.db2.gz NLZFGLXCGAOBEI-STQMWFEESA-N 1 2 326.368 3.132 20 5 EGBDLO CC[C@H]1C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](CC)O1 ZINC000420957757 309304459 /nfs/dbraw/zinc/30/44/59/309304459.db2.gz ZUALCAKMMLPJKZ-GJZGRUSLSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H](CC)O1 ZINC000420965200 309304768 /nfs/dbraw/zinc/30/47/68/309304768.db2.gz XUAVXNMRGQSNAT-HUUCEWRRSA-N 1 2 346.387 3.034 20 5 EGBDLO C[C@H]1CC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447798767 309988580 /nfs/dbraw/zinc/98/85/80/309988580.db2.gz AQAUUZRCKTWKRY-KOMQPUFPSA-N 1 2 333.432 3.418 20 5 EGBDLO CC(C)OCc1nc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC000449335913 310054445 /nfs/dbraw/zinc/05/44/45/310054445.db2.gz MDDGERKEERBYSK-STQMWFEESA-N 1 2 348.403 3.185 20 5 EGBDLO C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450837023 310145166 /nfs/dbraw/zinc/14/51/66/310145166.db2.gz ZXKGJSLGSRFLCS-APPZFPTMSA-N 1 2 327.266 3.323 20 5 EGBDLO CCOc1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451542879 310184353 /nfs/dbraw/zinc/18/43/53/310184353.db2.gz ANJBBCWRNWXKOC-CYBMUJFWSA-N 1 2 348.428 3.225 20 5 EGBDLO CCOc1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451542879 310184354 /nfs/dbraw/zinc/18/43/54/310184354.db2.gz ANJBBCWRNWXKOC-CYBMUJFWSA-N 1 2 348.428 3.225 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451798362 310197827 /nfs/dbraw/zinc/19/78/27/310197827.db2.gz LRCDZUVXPTUONH-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451798362 310197828 /nfs/dbraw/zinc/19/78/28/310197828.db2.gz LRCDZUVXPTUONH-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000454212441 310297383 /nfs/dbraw/zinc/29/73/83/310297383.db2.gz KRAHCPDVHURPAC-UFBFGSQYSA-N 1 2 335.751 3.272 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1(C)C ZINC000455322427 310355844 /nfs/dbraw/zinc/35/58/44/310355844.db2.gz CANYOJICKYVIJN-ZDUSSCGKSA-N 1 2 347.350 3.082 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456829583 310424451 /nfs/dbraw/zinc/42/44/51/310424451.db2.gz CQKHBPNQZKBGKH-INIZCTEOSA-N 1 2 341.411 3.492 20 5 EGBDLO Cc1cc(C)c(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000459090582 310533325 /nfs/dbraw/zinc/53/33/25/310533325.db2.gz ZWFLHXKTIJWJEE-UHFFFAOYSA-N 1 2 342.399 3.341 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000505589516 312027264 /nfs/dbraw/zinc/02/72/64/312027264.db2.gz DJMADBWVXZUYJH-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(O)CCCCCC1 ZINC000509163577 312110533 /nfs/dbraw/zinc/11/05/33/312110533.db2.gz DUYZZTKRZCKVCI-UHFFFAOYSA-N 1 2 328.359 3.390 20 5 EGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(O)CCCCCC1 ZINC000509163577 312110535 /nfs/dbraw/zinc/11/05/35/312110535.db2.gz DUYZZTKRZCKVCI-UHFFFAOYSA-N 1 2 328.359 3.390 20 5 EGBDLO C[C@H]1CN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000510133148 312133675 /nfs/dbraw/zinc/13/36/75/312133675.db2.gz IIYMGROFYIXWRU-RYUDHWBXSA-N 1 2 346.362 3.486 20 5 EGBDLO Cc1cc(NCCC2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000511674390 312166423 /nfs/dbraw/zinc/16/64/23/312166423.db2.gz UMHSZBJCDLBUFE-UHFFFAOYSA-N 1 2 342.399 3.011 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000519834856 312483000 /nfs/dbraw/zinc/48/30/00/312483000.db2.gz VKOJPMLXSUCVOE-LBPRGKRZSA-N 1 2 338.289 3.181 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3F)c[nH+]2)C[C@H](C)O1 ZINC000530374891 313526355 /nfs/dbraw/zinc/52/63/55/313526355.db2.gz CXUXEOMXRRIQRF-TXEJJXNPSA-N 1 2 346.362 3.486 20 5 EGBDLO Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)c[nH+]1 ZINC000535060695 314021832 /nfs/dbraw/zinc/02/18/32/314021832.db2.gz HQNSSPIPYYCFOJ-UHFFFAOYSA-N 1 2 340.383 3.225 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000539598959 314323226 /nfs/dbraw/zinc/32/32/26/314323226.db2.gz BPRDALBMEGBZSC-CQSZACIVSA-N 1 2 342.399 3.308 20 5 EGBDLO C[C@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)S1 ZINC000072769933 454338003 /nfs/dbraw/zinc/33/80/03/454338003.db2.gz LVRXCSAUKJMTDA-UWVGGRQHSA-N 1 2 343.836 3.013 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000557049875 315493621 /nfs/dbraw/zinc/49/36/21/315493621.db2.gz ULLVKOXSKSWCKC-SNVBAGLBSA-N 1 2 334.401 3.309 20 5 EGBDLO CC(C)[N@H+](Cc1nc(C2CC2)nn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000579225874 325079939 /nfs/dbraw/zinc/07/99/39/325079939.db2.gz QEEFRAXLYZQFIK-UHFFFAOYSA-N 1 2 329.404 3.011 20 5 EGBDLO CC(C)[N@@H+](Cc1nc(C2CC2)nn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000579225874 325079942 /nfs/dbraw/zinc/07/99/42/325079942.db2.gz QEEFRAXLYZQFIK-UHFFFAOYSA-N 1 2 329.404 3.011 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000579660119 325140083 /nfs/dbraw/zinc/14/00/83/325140083.db2.gz AVRMJLNRHSACRP-HNNXBMFYSA-N 1 2 327.384 3.236 20 5 EGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000580902549 325307745 /nfs/dbraw/zinc/30/77/45/325307745.db2.gz JUWUNKKVTNQEFN-CABZTGNLSA-N 1 2 347.396 3.176 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000264518967 455229590 /nfs/dbraw/zinc/22/95/90/455229590.db2.gz ZMIGPHFLFGOREH-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000007843420 453123012 /nfs/dbraw/zinc/12/30/12/453123012.db2.gz DPHDIPKLTKOIAN-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000007843420 453123020 /nfs/dbraw/zinc/12/30/20/453123020.db2.gz DPHDIPKLTKOIAN-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591618 453613460 /nfs/dbraw/zinc/61/34/60/453613460.db2.gz GDWSBNBCNPNBRO-GHMZBOCLSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591618 453613464 /nfs/dbraw/zinc/61/34/64/453613464.db2.gz GDWSBNBCNPNBRO-GHMZBOCLSA-N 1 2 345.321 3.196 20 5 EGBDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021917965 453683806 /nfs/dbraw/zinc/68/38/06/453683806.db2.gz JPYFIJVGKYESJT-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021917965 453683809 /nfs/dbraw/zinc/68/38/09/453683809.db2.gz JPYFIJVGKYESJT-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029916078 453832638 /nfs/dbraw/zinc/83/26/38/453832638.db2.gz ATMKTOMHKWUDPY-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000054362071 453925765 /nfs/dbraw/zinc/92/57/65/453925765.db2.gz LQNSVXFPSNPWJV-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000054362071 453925767 /nfs/dbraw/zinc/92/57/67/453925767.db2.gz LQNSVXFPSNPWJV-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438064 454100870 /nfs/dbraw/zinc/10/08/70/454100870.db2.gz IFHLXBVXUXGYMF-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438064 454100873 /nfs/dbraw/zinc/10/08/73/454100873.db2.gz IFHLXBVXUXGYMF-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)c(Br)c1 ZINC000045108243 454139436 /nfs/dbraw/zinc/13/94/36/454139436.db2.gz HXTGMTUKCPQOCX-UHFFFAOYSA-N 1 2 339.193 3.446 20 5 EGBDLO CCc1cc(NC[C@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078580905 454279633 /nfs/dbraw/zinc/27/96/33/454279633.db2.gz JYTJIVRBHITCIY-GFCCVEGCSA-N 1 2 330.388 3.045 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000096620766 454374915 /nfs/dbraw/zinc/37/49/15/454374915.db2.gz NNDXWJWUMKBTNM-UHFFFAOYSA-N 1 2 338.367 3.073 20 5 EGBDLO CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073322892 454421132 /nfs/dbraw/zinc/42/11/32/454421132.db2.gz HGQKGYBDXZMYMZ-JSGCOSHPSA-N 1 2 328.372 3.041 20 5 EGBDLO COCC[N@H+](Cc1cccnc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191118600 455446535 /nfs/dbraw/zinc/44/65/35/455446535.db2.gz WHBNDBQKVUAEPN-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191118600 455446542 /nfs/dbraw/zinc/44/65/42/455446542.db2.gz WHBNDBQKVUAEPN-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO Cc1noc(C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n1 ZINC000122406157 454529930 /nfs/dbraw/zinc/52/99/30/454529930.db2.gz JBLUZFZJCNVPTQ-UHFFFAOYSA-N 1 2 336.779 3.319 20 5 EGBDLO C[N@H+](Cc1cccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051383038 454621047 /nfs/dbraw/zinc/62/10/47/454621047.db2.gz KJNJQKKLSRGWSS-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO C[N@@H+](Cc1cccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051383038 454621054 /nfs/dbraw/zinc/62/10/54/454621054.db2.gz KJNJQKKLSRGWSS-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+](CC[S@](=O)c1ccccc1)C1CC1 ZINC000135235222 454650841 /nfs/dbraw/zinc/65/08/41/454650841.db2.gz PECBFBCTVWBZFM-XMMPIXPASA-N 1 2 344.436 3.367 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CC[S@](=O)c1ccccc1)C1CC1 ZINC000135235222 454650843 /nfs/dbraw/zinc/65/08/43/454650843.db2.gz PECBFBCTVWBZFM-XMMPIXPASA-N 1 2 344.436 3.367 20 5 EGBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288881 454778330 /nfs/dbraw/zinc/77/83/30/454778330.db2.gz KSUGLFKMBRHLBN-HUUCEWRRSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288881 454778332 /nfs/dbraw/zinc/77/83/32/454778332.db2.gz KSUGLFKMBRHLBN-HUUCEWRRSA-N 1 2 345.443 3.064 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162545930 454782827 /nfs/dbraw/zinc/78/28/27/454782827.db2.gz IOMKKFYATJRHCP-UHFFFAOYSA-N 1 2 349.431 3.121 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162560516 454784294 /nfs/dbraw/zinc/78/42/94/454784294.db2.gz KIMHOXBJPFPKNW-CYBMUJFWSA-N 1 2 349.431 3.201 20 5 EGBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000182224486 455465500 /nfs/dbraw/zinc/46/55/00/455465500.db2.gz YEWKZXGPNPODFC-UHFFFAOYSA-N 1 2 331.338 3.053 20 5 EGBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000182224486 455465505 /nfs/dbraw/zinc/46/55/05/455465505.db2.gz YEWKZXGPNPODFC-UHFFFAOYSA-N 1 2 331.338 3.053 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000266931581 455477670 /nfs/dbraw/zinc/47/76/70/455477670.db2.gz MRIFIRLGRPFLBS-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000266931581 455477674 /nfs/dbraw/zinc/47/76/74/455477674.db2.gz MRIFIRLGRPFLBS-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000126714242 454913902 /nfs/dbraw/zinc/91/39/02/454913902.db2.gz PJZBCPRJQKDFFK-QGZVFWFLSA-N 1 2 338.367 3.206 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167894589 454923578 /nfs/dbraw/zinc/92/35/78/454923578.db2.gz ZHKYCCYRDZXAQI-IUODEOHRSA-N 1 2 329.404 3.495 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2nnc(-c3ccco3)o2)C2CC2)c1 ZINC000178000587 454925662 /nfs/dbraw/zinc/92/56/62/454925662.db2.gz VFWQKXBABVVZDL-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2nnc(-c3ccco3)o2)C2CC2)c1 ZINC000178000587 454925666 /nfs/dbraw/zinc/92/56/66/454925666.db2.gz VFWQKXBABVVZDL-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128209054 455034706 /nfs/dbraw/zinc/03/47/06/455034706.db2.gz NAJBVACSJYDCQU-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128209054 455034708 /nfs/dbraw/zinc/03/47/08/455034708.db2.gz NAJBVACSJYDCQU-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000171631365 455081313 /nfs/dbraw/zinc/08/13/13/455081313.db2.gz LWHUURHYCCDBGA-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000171631365 455081316 /nfs/dbraw/zinc/08/13/16/455081316.db2.gz LWHUURHYCCDBGA-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000152286128 455097121 /nfs/dbraw/zinc/09/71/21/455097121.db2.gz PZDCCNJMLVUHCM-UHFFFAOYSA-N 1 2 340.314 3.305 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129999197 455136875 /nfs/dbraw/zinc/13/68/75/455136875.db2.gz HNYIBTRPNXDZKV-MRXNPFEDSA-N 1 2 345.443 3.350 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129999197 455136877 /nfs/dbraw/zinc/13/68/77/455136877.db2.gz HNYIBTRPNXDZKV-MRXNPFEDSA-N 1 2 345.443 3.350 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000292649416 455722189 /nfs/dbraw/zinc/72/21/89/455722189.db2.gz MJOZSJKSALKGEY-UHFFFAOYSA-N 1 2 334.397 3.396 20 5 EGBDLO Cc1csc([C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000249883881 455781297 /nfs/dbraw/zinc/78/12/97/455781297.db2.gz OGBLTOFSYQOFMB-DOMZBBRYSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1csc([C@@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000249883881 455781303 /nfs/dbraw/zinc/78/13/03/455781303.db2.gz OGBLTOFSYQOFMB-DOMZBBRYSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1cc(N2CCO[C@@H]3CCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270225116 455906471 /nfs/dbraw/zinc/90/64/71/455906471.db2.gz NWJXHRYYNKCSTO-JKSUJKDBSA-N 1 2 340.383 3.118 20 5 EGBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672405 456011532 /nfs/dbraw/zinc/01/15/32/456011532.db2.gz XKXAXICKJXKUBN-SWLSCSKDSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672405 456011536 /nfs/dbraw/zinc/01/15/36/456011536.db2.gz XKXAXICKJXKUBN-SWLSCSKDSA-N 1 2 331.372 3.249 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000271127000 456132736 /nfs/dbraw/zinc/13/27/36/456132736.db2.gz NCCKHYCYTUPMQK-JKSUJKDBSA-N 1 2 345.424 3.472 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCO[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000271127000 456132742 /nfs/dbraw/zinc/13/27/42/456132742.db2.gz NCCKHYCYTUPMQK-JKSUJKDBSA-N 1 2 345.424 3.472 20 5 EGBDLO COc1cc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])cc1OC ZINC000301916431 456250800 /nfs/dbraw/zinc/25/08/00/456250800.db2.gz JDAAZONFOQVQEB-UHFFFAOYSA-N 1 2 342.355 3.143 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000281688012 456294538 /nfs/dbraw/zinc/29/45/38/456294538.db2.gz GGMVTZNTUNBXGR-INIZCTEOSA-N 1 2 342.399 3.487 20 5 EGBDLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298047169 456352225 /nfs/dbraw/zinc/35/22/25/456352225.db2.gz IBMKMAMNCDCMGK-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO Cc1cc(N[C@@H]2C[C@H]3OCCC[C@@H]23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302573498 456360677 /nfs/dbraw/zinc/36/06/77/456360677.db2.gz RAXRPKZLZKJQCX-ARFHVFGLSA-N 1 2 340.383 3.340 20 5 EGBDLO CC(C)OCc1nc([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])no1 ZINC000290960415 456478180 /nfs/dbraw/zinc/47/81/80/456478180.db2.gz RLOYFLFRVGYCOO-STMXVASLSA-N 1 2 346.387 3.267 20 5 EGBDLO Cc1c([C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000340523910 456509769 /nfs/dbraw/zinc/50/97/69/456509769.db2.gz IKFMJZXLHBXNTE-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO CC(C)[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276669605 456546524 /nfs/dbraw/zinc/54/65/24/456546524.db2.gz NNUOZMXITDYBJX-INIZCTEOSA-N 1 2 345.403 3.024 20 5 EGBDLO Cc1[nH]nc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000299564870 456729894 /nfs/dbraw/zinc/72/98/94/456729894.db2.gz UOWZUQBRAFSFIL-UHFFFAOYSA-N 1 2 342.359 3.052 20 5 EGBDLO Cc1cc(NCC2(O)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301130911 456803621 /nfs/dbraw/zinc/80/36/21/456803621.db2.gz YGBBZYAZHUTDOG-UHFFFAOYSA-N 1 2 328.372 3.077 20 5 EGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283656051 456819105 /nfs/dbraw/zinc/81/91/05/456819105.db2.gz UIELITRFFLGNNV-UHFFFAOYSA-N 1 2 346.284 3.125 20 5 EGBDLO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339085385 456933812 /nfs/dbraw/zinc/93/38/12/456933812.db2.gz VGAGIWUROWBETA-INIZCTEOSA-N 1 2 330.384 3.074 20 5 EGBDLO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339085385 456933816 /nfs/dbraw/zinc/93/38/16/456933816.db2.gz VGAGIWUROWBETA-INIZCTEOSA-N 1 2 330.384 3.074 20 5 EGBDLO COCCC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349293608 456934354 /nfs/dbraw/zinc/93/43/54/456934354.db2.gz FRGHEZGUBUPPOB-UHFFFAOYSA-N 1 2 333.363 3.168 20 5 EGBDLO COCCC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349293608 456934357 /nfs/dbraw/zinc/93/43/57/456934357.db2.gz FRGHEZGUBUPPOB-UHFFFAOYSA-N 1 2 333.363 3.168 20 5 EGBDLO Cc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc(C2CC2)[nH+]1 ZINC000349869570 457087089 /nfs/dbraw/zinc/08/70/89/457087089.db2.gz DCBQRRYPHXWLQB-UHFFFAOYSA-N 1 2 332.791 3.301 20 5 EGBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(Cl)c1 ZINC000359993839 457193131 /nfs/dbraw/zinc/19/31/31/457193131.db2.gz SUZMRMGAQXNKMJ-UHFFFAOYSA-N 1 2 335.791 3.159 20 5 EGBDLO Cc1c(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000331720621 457238830 /nfs/dbraw/zinc/23/88/30/457238830.db2.gz JBUMHKHXHISLQZ-HNNXBMFYSA-N 1 2 343.387 3.063 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000360786852 457352898 /nfs/dbraw/zinc/35/28/98/457352898.db2.gz LPEOXXBSVZIHDB-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570937 457475687 /nfs/dbraw/zinc/47/56/87/457475687.db2.gz NYDKPDPKIZVFQH-CYBMUJFWSA-N 1 2 341.367 3.304 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000352570937 457475688 /nfs/dbraw/zinc/47/56/88/457475688.db2.gz NYDKPDPKIZVFQH-CYBMUJFWSA-N 1 2 341.367 3.304 20 5 EGBDLO Cc1csc(C(C)(C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000361275401 457675087 /nfs/dbraw/zinc/67/50/87/457675087.db2.gz WUIFPLJZDMVWCL-UHFFFAOYSA-N 1 2 331.401 3.261 20 5 EGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2N)[nH+]1 ZINC000371247833 457839317 /nfs/dbraw/zinc/83/93/17/457839317.db2.gz QZBMCESOHIKPBC-UHFFFAOYSA-N 1 2 337.339 3.128 20 5 EGBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2c2cccnc12 ZINC000428353671 458126861 /nfs/dbraw/zinc/12/68/61/458126861.db2.gz WAJWTXFXYMHQBK-OAHLLOKOSA-N 1 2 342.402 3.329 20 5 EGBDLO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412703785 458277721 /nfs/dbraw/zinc/27/77/21/458277721.db2.gz YJHQDHOXQBVFTO-ZDUSSCGKSA-N 1 2 345.424 3.003 20 5 EGBDLO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412703785 458277726 /nfs/dbraw/zinc/27/77/26/458277726.db2.gz YJHQDHOXQBVFTO-ZDUSSCGKSA-N 1 2 345.424 3.003 20 5 EGBDLO CC(=O)c1cc(NC[C@@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000376393543 458286865 /nfs/dbraw/zinc/28/68/65/458286865.db2.gz BFZHSFAIDNVGMW-ZDUSSCGKSA-N 1 2 328.372 3.292 20 5 EGBDLO CC[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447812608 458345059 /nfs/dbraw/zinc/34/50/59/458345059.db2.gz MUZFEOSDPHDZRT-INIZCTEOSA-N 1 2 347.459 3.444 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373494353 458510180 /nfs/dbraw/zinc/51/01/80/458510180.db2.gz KJDOKJYZPFKERI-KDOFPFPSSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373494353 458510183 /nfs/dbraw/zinc/51/01/83/458510183.db2.gz KJDOKJYZPFKERI-KDOFPFPSSA-N 1 2 334.416 3.098 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456401002 458664012 /nfs/dbraw/zinc/66/40/12/458664012.db2.gz DNIFUKPUXUYJNF-WCQYABFASA-N 1 2 328.372 3.152 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440464475 458814777 /nfs/dbraw/zinc/81/47/77/458814777.db2.gz HYVJCCPSZCJZTE-UHFFFAOYSA-N 1 2 330.388 3.149 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440464475 458814784 /nfs/dbraw/zinc/81/47/84/458814784.db2.gz HYVJCCPSZCJZTE-UHFFFAOYSA-N 1 2 330.388 3.149 20 5 EGBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441240638 458905367 /nfs/dbraw/zinc/90/53/67/458905367.db2.gz XNVDVWPGCRMHHO-OAHLLOKOSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441240638 458905371 /nfs/dbraw/zinc/90/53/71/458905371.db2.gz XNVDVWPGCRMHHO-OAHLLOKOSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000495745700 458938419 /nfs/dbraw/zinc/93/84/19/458938419.db2.gz BFCSFZHTYDEFDE-ZDUSSCGKSA-N 1 2 341.433 3.145 20 5 EGBDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000495745700 458938425 /nfs/dbraw/zinc/93/84/25/458938425.db2.gz BFCSFZHTYDEFDE-ZDUSSCGKSA-N 1 2 341.433 3.145 20 5 EGBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000519993575 459026695 /nfs/dbraw/zinc/02/66/95/459026695.db2.gz ZAHAZVNKLAOHFG-UHFFFAOYSA-N 1 2 338.323 3.002 20 5 EGBDLO CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1[nH]cc[nH+]1 ZINC000442807715 459040685 /nfs/dbraw/zinc/04/06/85/459040685.db2.gz FGKFLQIVZJBHLH-LLVKDONJSA-N 1 2 330.369 3.414 20 5 EGBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000520952924 459105514 /nfs/dbraw/zinc/10/55/14/459105514.db2.gz IMXONKVIWUTPAQ-UHFFFAOYSA-N 1 2 337.339 3.036 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000532650736 459124130 /nfs/dbraw/zinc/12/41/30/459124130.db2.gz JSUVNPRMDYJDPS-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000532650736 459124136 /nfs/dbraw/zinc/12/41/36/459124136.db2.gz JSUVNPRMDYJDPS-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1noc(C[N@@H+](C)Cc2ccccc2N2CCCC2)c1[N+](=O)[O-] ZINC000595285223 459265992 /nfs/dbraw/zinc/26/59/92/459265992.db2.gz QABAFEAORUBHIF-UHFFFAOYSA-N 1 2 330.388 3.123 20 5 EGBDLO Cc1noc(C[N@H+](C)Cc2ccccc2N2CCCC2)c1[N+](=O)[O-] ZINC000595285223 459265996 /nfs/dbraw/zinc/26/59/96/459265996.db2.gz QABAFEAORUBHIF-UHFFFAOYSA-N 1 2 330.388 3.123 20 5 EGBDLO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000595493589 459324823 /nfs/dbraw/zinc/32/48/23/459324823.db2.gz TXATVGHFEOMODN-GFCCVEGCSA-N 1 2 335.360 3.149 20 5 EGBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1[N+](=O)[O-] ZINC000595504683 459327686 /nfs/dbraw/zinc/32/76/86/459327686.db2.gz GUHDNKKSLNGMLI-JTQLQIEISA-N 1 2 345.334 3.067 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000595761963 459429534 /nfs/dbraw/zinc/42/95/34/459429534.db2.gz MOMYSXQTGUISOB-SFHVURJKSA-N 1 2 348.349 3.489 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000595761963 459429537 /nfs/dbraw/zinc/42/95/37/459429537.db2.gz MOMYSXQTGUISOB-SFHVURJKSA-N 1 2 348.349 3.489 20 5 EGBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000497164110 459466984 /nfs/dbraw/zinc/46/69/84/459466984.db2.gz FOJZDJYZDKNUIS-GDBMZVCRSA-N 1 2 347.415 3.036 20 5 EGBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000497164110 459466988 /nfs/dbraw/zinc/46/69/88/459466988.db2.gz FOJZDJYZDKNUIS-GDBMZVCRSA-N 1 2 347.415 3.036 20 5 EGBDLO CCOC(=O)Cc1ccc(NCCc2ccc(C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000591913283 459482442 /nfs/dbraw/zinc/48/24/42/459482442.db2.gz ZLXHLEYVZDVVSE-UHFFFAOYSA-N 1 2 343.383 3.058 20 5 EGBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCC2)O1 ZINC000592187237 459545449 /nfs/dbraw/zinc/54/54/49/459545449.db2.gz MNBAZTRQSFHZBK-ZDUSSCGKSA-N 1 2 343.383 3.393 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCC2)O1 ZINC000592187237 459545452 /nfs/dbraw/zinc/54/54/52/459545452.db2.gz MNBAZTRQSFHZBK-ZDUSSCGKSA-N 1 2 343.383 3.393 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CO1 ZINC000593061058 459760343 /nfs/dbraw/zinc/76/03/43/459760343.db2.gz GQTDVKWMDKNXKO-WBMJQRKESA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CO1 ZINC000593061058 459760346 /nfs/dbraw/zinc/76/03/46/459760346.db2.gz GQTDVKWMDKNXKO-WBMJQRKESA-N 1 2 331.372 3.249 20 5 EGBDLO CCO[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602430600 459934733 /nfs/dbraw/zinc/93/47/33/459934733.db2.gz JMQYVKARZGFFNO-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO CCO[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602430600 459934739 /nfs/dbraw/zinc/93/47/39/459934739.db2.gz JMQYVKARZGFFNO-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)c2c(Cl)cncc2[N+](=O)[O-])c1C ZINC000589108646 460030764 /nfs/dbraw/zinc/03/07/64/460030764.db2.gz JKTOLILWYKCTEN-UHFFFAOYSA-N 1 2 336.779 3.300 20 5 EGBDLO COC[C@H]1CCCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602686387 460064866 /nfs/dbraw/zinc/06/48/66/460064866.db2.gz QOBFLBLZGNSQNE-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO COC[C@H]1CCCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602686387 460064870 /nfs/dbraw/zinc/06/48/70/460064870.db2.gz QOBFLBLZGNSQNE-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)nc2c1 ZINC000589300737 460068199 /nfs/dbraw/zinc/06/81/99/460068199.db2.gz CEYIXIDSPGRUSN-NVXWUHKLSA-N 1 2 342.399 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)nc2c1 ZINC000589300737 460068211 /nfs/dbraw/zinc/06/82/11/460068211.db2.gz CEYIXIDSPGRUSN-NVXWUHKLSA-N 1 2 342.399 3.005 20 5 EGBDLO CCC[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OCC ZINC000599058835 460145157 /nfs/dbraw/zinc/14/51/57/460145157.db2.gz GNOYRFMYGHAAKF-IAGOWNOFSA-N 1 2 346.431 3.213 20 5 EGBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000614925098 460247259 /nfs/dbraw/zinc/24/72/59/460247259.db2.gz UUMNSEHKRLVCCO-CYBMUJFWSA-N 1 2 336.285 3.277 20 5 EGBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000614925098 460247262 /nfs/dbraw/zinc/24/72/62/460247262.db2.gz UUMNSEHKRLVCCO-CYBMUJFWSA-N 1 2 336.285 3.277 20 5 EGBDLO CCOCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599626044 460291422 /nfs/dbraw/zinc/29/14/22/460291422.db2.gz SIILKFBALQWZJE-MRXNPFEDSA-N 1 2 345.399 3.417 20 5 EGBDLO CCOCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599626044 460291424 /nfs/dbraw/zinc/29/14/24/460291424.db2.gz SIILKFBALQWZJE-MRXNPFEDSA-N 1 2 345.399 3.417 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCc3c(O)cccc3C2)ccc1[N+](=O)[O-] ZINC000599648261 460297354 /nfs/dbraw/zinc/29/73/54/460297354.db2.gz WJJJZKHBJDFMQK-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO CCOc1cc(C[N@H+]2CCc3c(O)cccc3C2)ccc1[N+](=O)[O-] ZINC000599648261 460297358 /nfs/dbraw/zinc/29/73/58/460297358.db2.gz WJJJZKHBJDFMQK-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO O=[N+]([O-])c1ccsc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000611411309 460359256 /nfs/dbraw/zinc/35/92/56/460359256.db2.gz BEYJDWRZWOVPNW-HNNXBMFYSA-N 1 2 333.413 3.142 20 5 EGBDLO CCCCc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc2[nH+]1 ZINC000604481509 460431816 /nfs/dbraw/zinc/43/18/16/460431816.db2.gz CJLWVIDEVZSENS-UHFFFAOYSA-N 1 2 341.371 3.405 20 5 EGBDLO Cc1nn(C[NH+]2CCC(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-] ZINC000736280076 575927577 /nfs/dbraw/zinc/92/75/77/575927577.db2.gz PGILSFUIJKWRQO-UHFFFAOYSA-N 1 2 332.379 3.384 20 5 EGBDLO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000047541411 1291578115 /nfs/dbraw/zinc/57/81/15/1291578115.db2.gz CMMMRRUMYAQHQU-CQSZACIVSA-N 1 2 332.331 3.006 20 5 EGBDLO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000047541411 1291578120 /nfs/dbraw/zinc/57/81/20/1291578120.db2.gz CMMMRRUMYAQHQU-CQSZACIVSA-N 1 2 332.331 3.006 20 5 EGBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000747840987 1298869625 /nfs/dbraw/zinc/86/96/25/1298869625.db2.gz XJCLFHUVINOKNY-LLVKDONJSA-N 1 2 341.383 3.079 20 5 EGBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000747840987 1298869632 /nfs/dbraw/zinc/86/96/32/1298869632.db2.gz XJCLFHUVINOKNY-LLVKDONJSA-N 1 2 341.383 3.079 20 5 EGBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749544527 1299234694 /nfs/dbraw/zinc/23/46/94/1299234694.db2.gz XJEWOHOJWQURAU-HNNXBMFYSA-N 1 2 334.807 3.491 20 5 EGBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749544527 1299234701 /nfs/dbraw/zinc/23/47/01/1299234701.db2.gz XJEWOHOJWQURAU-HNNXBMFYSA-N 1 2 334.807 3.491 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCCc3occc3C2)o1 ZINC000878624124 1300114017 /nfs/dbraw/zinc/11/40/17/1300114017.db2.gz IGOXCVJLYWJQEI-UHFFFAOYSA-N 1 2 340.339 3.186 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCCc3occc3C2)o1 ZINC000878624124 1300114021 /nfs/dbraw/zinc/11/40/21/1300114021.db2.gz IGOXCVJLYWJQEI-UHFFFAOYSA-N 1 2 340.339 3.186 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232750 1300994945 /nfs/dbraw/zinc/99/49/45/1300994945.db2.gz FJQFOGDAGWPSHC-MNOVXSKESA-N 1 2 343.786 3.257 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CF)C1 ZINC000880232750 1300994948 /nfs/dbraw/zinc/99/49/48/1300994948.db2.gz FJQFOGDAGWPSHC-MNOVXSKESA-N 1 2 343.786 3.257 20 5 EGBDLO CN(C)c1cc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc[nH+]1 ZINC000763287947 1301867032 /nfs/dbraw/zinc/86/70/32/1301867032.db2.gz QCGPJFZANCZYAD-UHFFFAOYSA-N 1 2 335.747 3.066 20 5 EGBDLO CCCCC[N@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768241209 1302862426 /nfs/dbraw/zinc/86/24/26/1302862426.db2.gz NTAUUMJXQVBFKP-UHFFFAOYSA-N 1 2 345.237 3.342 20 5 EGBDLO CCCCC[N@@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768241209 1302862443 /nfs/dbraw/zinc/86/24/43/1302862443.db2.gz NTAUUMJXQVBFKP-UHFFFAOYSA-N 1 2 345.237 3.342 20 5 EGBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc2[nH+]ccn21 ZINC000770645545 1303299483 /nfs/dbraw/zinc/29/94/83/1303299483.db2.gz UIZJZAUNSNVICU-UHFFFAOYSA-N 1 2 344.758 3.168 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000885983667 1303308461 /nfs/dbraw/zinc/30/84/61/1303308461.db2.gz LZDLCGJDXUDRAD-HNNXBMFYSA-N 1 2 341.367 3.098 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000885983667 1303308468 /nfs/dbraw/zinc/30/84/68/1303308468.db2.gz LZDLCGJDXUDRAD-HNNXBMFYSA-N 1 2 341.367 3.098 20 5 EGBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886176749 1303386524 /nfs/dbraw/zinc/38/65/24/1303386524.db2.gz KHAUFXBRYRYHAH-OAHLLOKOSA-N 1 2 335.791 3.463 20 5 EGBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886176749 1303386529 /nfs/dbraw/zinc/38/65/29/1303386529.db2.gz KHAUFXBRYRYHAH-OAHLLOKOSA-N 1 2 335.791 3.463 20 5 EGBDLO CC(C)OC(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000886727228 1303579740 /nfs/dbraw/zinc/57/97/40/1303579740.db2.gz OEPQPAXLETUQPL-UHFFFAOYSA-N 1 2 340.807 3.412 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cn(-c3ccccc3)nn1)CCC2 ZINC000774260894 1303791841 /nfs/dbraw/zinc/79/18/41/1303791841.db2.gz SELSZGXGQOBXQI-LJQANCHMSA-N 1 2 349.394 3.343 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000785835503 1305448486 /nfs/dbraw/zinc/44/84/86/1305448486.db2.gz RFACIPDRIWZTRY-CQSZACIVSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000785835503 1305448492 /nfs/dbraw/zinc/44/84/92/1305448492.db2.gz RFACIPDRIWZTRY-CQSZACIVSA-N 1 2 349.337 3.311 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O2 ZINC000790931840 1308890364 /nfs/dbraw/zinc/89/03/64/1308890364.db2.gz LBNWXMOWCUMEDD-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O2 ZINC000790931840 1308890374 /nfs/dbraw/zinc/89/03/74/1308890374.db2.gz LBNWXMOWCUMEDD-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+](Cc1ccccc1)C1CC1 ZINC000794617220 1309556954 /nfs/dbraw/zinc/55/69/54/1309556954.db2.gz QQXWUHJRUURTSR-UHFFFAOYSA-N 1 2 339.351 3.125 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000794617220 1309556958 /nfs/dbraw/zinc/55/69/58/1309556958.db2.gz QQXWUHJRUURTSR-UHFFFAOYSA-N 1 2 339.351 3.125 20 5 EGBDLO CCn1c[nH+]c2c1CCN(c1cccc(C(F)(F)F)c1[N+](=O)[O-])C2 ZINC000896650681 1309956452 /nfs/dbraw/zinc/95/64/52/1309956452.db2.gz LDZBVJFKVTWBGX-UHFFFAOYSA-N 1 2 340.305 3.393 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(CCCCF)no2)cc1-n1cc[nH+]c1 ZINC000897203293 1310220397 /nfs/dbraw/zinc/22/03/97/1310220397.db2.gz NUZZJZCTFLVXJI-UHFFFAOYSA-N 1 2 331.307 3.123 20 5 EGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000800866314 1310821892 /nfs/dbraw/zinc/82/18/92/1310821892.db2.gz DVJSOBBYSFYOLR-SFHVURJKSA-N 1 2 339.395 3.000 20 5 EGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000800866314 1310821901 /nfs/dbraw/zinc/82/19/01/1310821901.db2.gz DVJSOBBYSFYOLR-SFHVURJKSA-N 1 2 339.395 3.000 20 5 EGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000809345688 1317799924 /nfs/dbraw/zinc/79/99/24/1317799924.db2.gz MLSQOCICVNKMHM-UHFFFAOYSA-N 1 2 348.353 3.250 20 5 EGBDLO C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616130 1319029255 /nfs/dbraw/zinc/02/92/55/1319029255.db2.gz GUKADPCTECFQMD-ISVAXAHUSA-N 1 2 335.310 3.240 20 5 EGBDLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)c1c2ccccc2cc2ccccc21 ZINC001153500019 1380086022 /nfs/dbraw/zinc/08/60/22/1380086022.db2.gz ZNFZPZGOBOOUED-QGZVFWFLSA-N 1 2 345.402 3.050 20 5 EGBDLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)c1c2ccccc2cc2ccccc21 ZINC001153500019 1380086023 /nfs/dbraw/zinc/08/60/23/1380086023.db2.gz ZNFZPZGOBOOUED-QGZVFWFLSA-N 1 2 345.402 3.050 20 5 EGBDLO COc1nc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)ccc1[N+](=O)[O-] ZINC001160683392 1382169890 /nfs/dbraw/zinc/16/98/90/1382169890.db2.gz OJKDKDHBXIURPQ-NSHDSACASA-N 1 2 327.344 3.128 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@](C)(F)C2)c1F ZINC001173181942 1384932231 /nfs/dbraw/zinc/93/22/31/1384932231.db2.gz QVRKRRSXZYJPQO-BDJLRTHQSA-N 1 2 328.359 3.498 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@@](C)(F)C2)c1F ZINC001173181942 1384932234 /nfs/dbraw/zinc/93/22/34/1384932234.db2.gz QVRKRRSXZYJPQO-BDJLRTHQSA-N 1 2 328.359 3.498 20 5 EGBDLO Cc1cc(N[C@H](c2[nH+]ccn2C)c2ccccc2F)ncc1[N+](=O)[O-] ZINC000368538894 168369913 /nfs/dbraw/zinc/36/99/13/168369913.db2.gz NHQWLEHOCSBMSC-INIZCTEOSA-N 1 2 341.346 3.372 20 5 EGBDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000056514012 214378379 /nfs/dbraw/zinc/37/83/79/214378379.db2.gz GCHNKGUEHGOATO-GFCCVEGCSA-N 1 2 341.433 3.145 20 5 EGBDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000056514012 214378382 /nfs/dbraw/zinc/37/83/82/214378382.db2.gz GCHNKGUEHGOATO-GFCCVEGCSA-N 1 2 341.433 3.145 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCNc1cccc[nH+]1 ZINC000179590375 233199584 /nfs/dbraw/zinc/19/95/84/233199584.db2.gz NWJVCBBWSNNPEJ-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO CC(C)(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000022024979 212271427 /nfs/dbraw/zinc/27/14/27/212271427.db2.gz AJARTUOIGCEMGP-UHFFFAOYSA-N 1 2 347.337 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCc4ccsc4C3)n2)cc1 ZINC000132794069 223363203 /nfs/dbraw/zinc/36/32/03/223363203.db2.gz BLSHJWVRSPYZJZ-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCc4ccsc4C3)n2)cc1 ZINC000132794069 223363204 /nfs/dbraw/zinc/36/32/04/223363204.db2.gz BLSHJWVRSPYZJZ-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCCCCNc1cccc[nH+]1 ZINC000080611034 217318378 /nfs/dbraw/zinc/31/83/78/217318378.db2.gz KPJXRDSXEHISEJ-UHFFFAOYSA-N 1 2 330.388 3.440 20 5 EGBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000111375896 220148305 /nfs/dbraw/zinc/14/83/05/220148305.db2.gz SSNOTISNPXAFCU-QWRGUYRKSA-N 1 2 348.428 3.292 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136940902 223672790 /nfs/dbraw/zinc/67/27/90/223672790.db2.gz WYXXPHVWASOLHG-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264157933 246120421 /nfs/dbraw/zinc/12/04/21/246120421.db2.gz JSQZDJKIMGUFFM-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO O=C(C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264165919 246130265 /nfs/dbraw/zinc/13/02/65/246130265.db2.gz GVSBBZRTVZHGCJ-CQSZACIVSA-N 1 2 343.358 3.162 20 5 EGBDLO O=C(C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264165919 246130271 /nfs/dbraw/zinc/13/02/71/246130271.db2.gz GVSBBZRTVZHGCJ-CQSZACIVSA-N 1 2 343.358 3.162 20 5 EGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000267393017 251015291 /nfs/dbraw/zinc/01/52/91/251015291.db2.gz HRRNCLIYQDWDPI-LBPRGKRZSA-N 1 2 341.433 3.098 20 5 EGBDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000267393017 251015294 /nfs/dbraw/zinc/01/52/94/251015294.db2.gz HRRNCLIYQDWDPI-LBPRGKRZSA-N 1 2 341.433 3.098 20 5 EGBDLO Cc1cc(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)[nH]1 ZINC000348154566 141239856 /nfs/dbraw/zinc/23/98/56/141239856.db2.gz KAUFGHIMLDGEJG-UHFFFAOYSA-N 1 2 327.384 3.387 20 5 EGBDLO Cc1cc(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)[nH]1 ZINC000348154566 141239859 /nfs/dbraw/zinc/23/98/59/141239859.db2.gz KAUFGHIMLDGEJG-UHFFFAOYSA-N 1 2 327.384 3.387 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000353441157 141296018 /nfs/dbraw/zinc/29/60/18/141296018.db2.gz AIRPVAAZDXCEBW-HNNXBMFYSA-N 1 2 328.397 3.269 20 5 EGBDLO CCOC(=O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000351795899 144307702 /nfs/dbraw/zinc/30/77/02/144307702.db2.gz QSZJZDZCZPTTQO-UHFFFAOYSA-N 1 2 344.367 3.382 20 5 EGBDLO CCOC(=O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000351795899 144307704 /nfs/dbraw/zinc/30/77/04/144307704.db2.gz QSZJZDZCZPTTQO-UHFFFAOYSA-N 1 2 344.367 3.382 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(Oc3ccccn3)CC2)c(F)c1 ZINC000351878651 144319804 /nfs/dbraw/zinc/31/98/04/144319804.db2.gz FOPLWOJZMCYYBT-UHFFFAOYSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000312045418 154151434 /nfs/dbraw/zinc/15/14/34/154151434.db2.gz USQXCKDHCAVLBJ-HNNXBMFYSA-N 1 2 345.374 3.047 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000312045418 154151436 /nfs/dbraw/zinc/15/14/36/154151436.db2.gz USQXCKDHCAVLBJ-HNNXBMFYSA-N 1 2 345.374 3.047 20 5 EGBDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000093338249 162004114 /nfs/dbraw/zinc/00/41/14/162004114.db2.gz RHPKUHWARAOOAW-UHFFFAOYSA-N 1 2 338.367 3.445 20 5 EGBDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000093338249 162004116 /nfs/dbraw/zinc/00/41/16/162004116.db2.gz RHPKUHWARAOOAW-UHFFFAOYSA-N 1 2 338.367 3.445 20 5 EGBDLO COc1ccc(-c2ccc(C[NH2+]Cc3cc(C)no3)o2)c([N+](=O)[O-])c1 ZINC000105455376 162055860 /nfs/dbraw/zinc/05/58/60/162055860.db2.gz SXUIXHHYESLTOJ-UHFFFAOYSA-N 1 2 343.339 3.450 20 5 EGBDLO O=C(NCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000114338135 162227888 /nfs/dbraw/zinc/22/78/88/162227888.db2.gz CAQIXVBPBIQTJW-UHFFFAOYSA-N 1 2 338.323 3.040 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000126129402 162295088 /nfs/dbraw/zinc/29/50/88/162295088.db2.gz NYZDKHHVGOAVOE-ABAIWWIYSA-N 1 2 348.790 3.168 20 5 EGBDLO Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338664370 163310633 /nfs/dbraw/zinc/31/06/33/163310633.db2.gz JXJCUQJAOGSHCE-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338664370 163310636 /nfs/dbraw/zinc/31/06/36/163310636.db2.gz JXJCUQJAOGSHCE-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO CC(C)[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000338883793 163374448 /nfs/dbraw/zinc/37/44/48/163374448.db2.gz ORRKFUOGKYIICV-YGRLFVJLSA-N 1 2 334.351 3.074 20 5 EGBDLO Cc1ccc(NC(=O)C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000179532628 265381839 /nfs/dbraw/zinc/38/18/39/265381839.db2.gz ITQFILGHNWVFCE-FNORWQNLSA-N 1 2 339.395 3.487 20 5 EGBDLO Cc1ccc(NC(=O)C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000179532628 265381841 /nfs/dbraw/zinc/38/18/41/265381841.db2.gz ITQFILGHNWVFCE-FNORWQNLSA-N 1 2 339.395 3.487 20 5 EGBDLO CCc1cc(N[C@H]2CC[C@H](O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269874683 266374257 /nfs/dbraw/zinc/37/42/57/266374257.db2.gz OPYKPWWRDUOILX-KOMQPUFPSA-N 1 2 342.399 3.330 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000275760451 267420747 /nfs/dbraw/zinc/42/07/47/267420747.db2.gz MLSHJVTVJMMDTM-GFCCVEGCSA-N 1 2 329.360 3.038 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000106862560 275170295 /nfs/dbraw/zinc/17/02/95/275170295.db2.gz IDOPAJFPGYHIGL-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000106862560 275170296 /nfs/dbraw/zinc/17/02/96/275170296.db2.gz IDOPAJFPGYHIGL-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000278748204 275271336 /nfs/dbraw/zinc/27/13/36/275271336.db2.gz RXYTZVWZUIBNJD-ZWNOBZJWSA-N 1 2 326.356 3.477 20 5 EGBDLO Cc1cnc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000349866852 281612148 /nfs/dbraw/zinc/61/21/48/281612148.db2.gz HQPJVNCSNSTOIH-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066847868 307363258 /nfs/dbraw/zinc/36/32/58/307363258.db2.gz TWOZHXNOYLFQAI-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066847868 307363259 /nfs/dbraw/zinc/36/32/59/307363259.db2.gz TWOZHXNOYLFQAI-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO CCOC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000294600787 308236608 /nfs/dbraw/zinc/23/66/08/308236608.db2.gz UJDIFRFMIITFNT-UHFFFAOYSA-N 1 2 331.372 3.040 20 5 EGBDLO CCOC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000294600787 308236610 /nfs/dbraw/zinc/23/66/10/308236610.db2.gz UJDIFRFMIITFNT-UHFFFAOYSA-N 1 2 331.372 3.040 20 5 EGBDLO CN(C)c1ccc2cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc2[nH+]1 ZINC000294730947 308250691 /nfs/dbraw/zinc/25/06/91/308250691.db2.gz NHRZIAAXKGTQDE-UHFFFAOYSA-N 1 2 330.388 3.075 20 5 EGBDLO Cc1ccc[nH+]c1CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000295037373 308284099 /nfs/dbraw/zinc/28/40/99/308284099.db2.gz SMLHQDSAGSKUBF-UHFFFAOYSA-N 1 2 329.385 3.348 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CF)CC1 ZINC000295213406 308303262 /nfs/dbraw/zinc/30/32/62/308303262.db2.gz WUVUYTFFQQIKAB-SNVBAGLBSA-N 1 2 343.786 3.257 20 5 EGBDLO O=[N+]([O-])c1c(NCc2[nH]c(-c3ccccc3)c[nH+]2)nc2sccn21 ZINC000301082678 308687540 /nfs/dbraw/zinc/68/75/40/308687540.db2.gz IRNHJYBQAOCDBI-UHFFFAOYSA-N 1 2 340.368 3.306 20 5 EGBDLO CCO[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@]12CCCO2 ZINC000413234610 309022922 /nfs/dbraw/zinc/02/29/22/309022922.db2.gz PDOMQGWLMYZFLI-JFIYKMOQSA-N 1 2 343.383 3.282 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421830486 309342073 /nfs/dbraw/zinc/34/20/73/309342073.db2.gz KBCJIBXYHSTKJV-UHFFFAOYSA-N 1 2 342.395 3.314 20 5 EGBDLO Cc1ccoc1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000426285210 309503450 /nfs/dbraw/zinc/50/34/50/309503450.db2.gz GJVWOKVTQZWEOB-INIZCTEOSA-N 1 2 326.356 3.109 20 5 EGBDLO Cc1c(C[NH+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000429393405 309580840 /nfs/dbraw/zinc/58/08/40/309580840.db2.gz KHKOGZNUHTYVGK-ZIAGYGMSSA-N 1 2 347.459 3.371 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(F)c(F)c(F)c3)nc2c1 ZINC000446844254 309969245 /nfs/dbraw/zinc/96/92/45/309969245.db2.gz RYSZERWZUNCGCM-UHFFFAOYSA-N 1 2 336.273 3.178 20 5 EGBDLO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC000449925142 310094384 /nfs/dbraw/zinc/09/43/84/310094384.db2.gz ALHIFFCOUZZBDE-STQMWFEESA-N 1 2 328.372 3.041 20 5 EGBDLO CC[C@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450380970 310119304 /nfs/dbraw/zinc/11/93/04/310119304.db2.gz TVXWFQOZSORVMF-JSGCOSHPSA-N 1 2 328.372 3.184 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456400987 310404009 /nfs/dbraw/zinc/40/40/09/310404009.db2.gz DNIFUKPUXUYJNF-AAEUAGOBSA-N 1 2 328.372 3.152 20 5 EGBDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459493448 310556493 /nfs/dbraw/zinc/55/64/93/310556493.db2.gz HKYUEKYKOCQARN-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO COCc1cccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000459623334 310564878 /nfs/dbraw/zinc/56/48/78/310564878.db2.gz QZEIOULQBTXWMG-UHFFFAOYSA-N 1 2 328.368 3.004 20 5 EGBDLO Cc1cc(NCCOCCC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489197165 311095538 /nfs/dbraw/zinc/09/55/38/311095538.db2.gz MOOHONAPOCXXPV-UHFFFAOYSA-N 1 2 344.415 3.257 20 5 EGBDLO CCc1ccc([C@@H](CO)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000509008074 312107663 /nfs/dbraw/zinc/10/76/63/312107663.db2.gz UJEWFFYIAPOGOO-QGZVFWFLSA-N 1 2 336.338 3.259 20 5 EGBDLO Cc1cc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)ccc1[N+](=O)[O-] ZINC000531781187 313712710 /nfs/dbraw/zinc/71/27/10/313712710.db2.gz GBWCDZUZVSHVLA-UHFFFAOYSA-N 1 2 343.364 3.252 20 5 EGBDLO Cc1cccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000537548898 314188139 /nfs/dbraw/zinc/18/81/39/314188139.db2.gz KOGWSNHUYBMJDY-UHFFFAOYSA-N 1 2 336.351 3.223 20 5 EGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000538018698 314224407 /nfs/dbraw/zinc/22/44/07/314224407.db2.gz TYKIKAHNWQFWBN-LLVKDONJSA-N 1 2 341.346 3.370 20 5 EGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000538018698 314224408 /nfs/dbraw/zinc/22/44/08/314224408.db2.gz TYKIKAHNWQFWBN-LLVKDONJSA-N 1 2 341.346 3.370 20 5 EGBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)Cn1cc[nH+]c1 ZINC000091454054 454436491 /nfs/dbraw/zinc/43/64/91/454436491.db2.gz JHYBFVUUPJDNKN-JTQLQIEISA-N 1 2 339.193 3.302 20 5 EGBDLO Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549489280 315093941 /nfs/dbraw/zinc/09/39/41/315093941.db2.gz UQHMOLLHAJSPBJ-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549489280 315093942 /nfs/dbraw/zinc/09/39/42/315093942.db2.gz UQHMOLLHAJSPBJ-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO CCOC(=O)[C@H](c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554843320 315351900 /nfs/dbraw/zinc/35/19/00/315351900.db2.gz KSSIRFMQSDQPBP-SFHVURJKSA-N 1 2 342.395 3.374 20 5 EGBDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554843320 315351901 /nfs/dbraw/zinc/35/19/01/315351901.db2.gz KSSIRFMQSDQPBP-SFHVURJKSA-N 1 2 342.395 3.374 20 5 EGBDLO Cc1c([C@@H](C)[NH2+]Cc2n[nH]cc2Br)cccc1[N+](=O)[O-] ZINC000580269756 325224527 /nfs/dbraw/zinc/22/45/27/325224527.db2.gz PHCSCIVMUHAHMK-SECBINFHSA-N 1 2 339.193 3.240 20 5 EGBDLO O=[N+]([O-])c1cccnc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000264574905 455240010 /nfs/dbraw/zinc/24/00/10/455240010.db2.gz XSSCJMOMBWQVDV-UHFFFAOYSA-N 1 2 327.388 3.377 20 5 EGBDLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000012889151 453420334 /nfs/dbraw/zinc/42/03/34/453420334.db2.gz RGFQLZYTFVHDRA-LBPRGKRZSA-N 1 2 345.424 3.238 20 5 EGBDLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000012889151 453420347 /nfs/dbraw/zinc/42/03/47/453420347.db2.gz RGFQLZYTFVHDRA-LBPRGKRZSA-N 1 2 345.424 3.238 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000025009818 453755767 /nfs/dbraw/zinc/75/57/67/453755767.db2.gz KAMAVHRODQFUAM-UHFFFAOYSA-N 1 2 343.730 3.081 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(F)c1 ZINC000032051183 453863284 /nfs/dbraw/zinc/86/32/84/453863284.db2.gz XXFFVXPIFJTBLL-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO CN(CC1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032627174 453880543 /nfs/dbraw/zinc/88/05/43/453880543.db2.gz UZAGFHPNQNJFDK-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCCNc1cccc[nH+]1 ZINC000068420271 454024986 /nfs/dbraw/zinc/02/49/86/454024986.db2.gz GUBCRRCBUQGIDR-DHZHZOJOSA-N 1 2 340.383 3.012 20 5 EGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000069972241 454161725 /nfs/dbraw/zinc/16/17/25/454161725.db2.gz CTCSDYPPWFEBOT-AWEZNQCLSA-N 1 2 344.390 3.008 20 5 EGBDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000046783270 454285221 /nfs/dbraw/zinc/28/52/21/454285221.db2.gz FSBSLNMXGARNGV-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000046783270 454285222 /nfs/dbraw/zinc/28/52/22/454285222.db2.gz FSBSLNMXGARNGV-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO Cc1cc(N[C@@H](CO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078661503 454293893 /nfs/dbraw/zinc/29/38/93/454293893.db2.gz OSXWWSICNGATEU-CQSZACIVSA-N 1 2 330.388 3.179 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000132222622 454322691 /nfs/dbraw/zinc/32/26/91/454322691.db2.gz NSKBXPIMWXFBQT-UHFFFAOYSA-N 1 2 340.314 3.101 20 5 EGBDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090970190 454356545 /nfs/dbraw/zinc/35/65/45/454356545.db2.gz KMXLVQCWWULYFW-NSHDSACASA-N 1 2 343.412 3.303 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000091506238 454443887 /nfs/dbraw/zinc/44/38/87/454443887.db2.gz CXRQDNKSFWRMNK-UHFFFAOYSA-N 1 2 339.311 3.301 20 5 EGBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])s2)[NH+]2CCOCC2)cc1 ZINC000064029732 454465357 /nfs/dbraw/zinc/46/53/57/454465357.db2.gz UUJORDIYCKMJKY-OAHLLOKOSA-N 1 2 347.440 3.450 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ccc(F)cc3C2)c2c(c1)COCO2 ZINC000134076101 454499766 /nfs/dbraw/zinc/49/97/66/454499766.db2.gz SPVLEEAVPFQIHD-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccc(F)cc3C2)c2c(c1)COCO2 ZINC000134076101 454499774 /nfs/dbraw/zinc/49/97/74/454499774.db2.gz SPVLEEAVPFQIHD-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC000122235419 454515659 /nfs/dbraw/zinc/51/56/59/454515659.db2.gz YCYWDINKTBPTPI-UHFFFAOYSA-N 1 2 336.145 3.313 20 5 EGBDLO CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000080426834 454579601 /nfs/dbraw/zinc/57/96/01/454579601.db2.gz DAMOHUWPGHMNGJ-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050402890 454585734 /nfs/dbraw/zinc/58/57/34/454585734.db2.gz FWODALBHPRTICU-UHFFFAOYSA-N 1 2 340.383 3.041 20 5 EGBDLO Cc1cc(N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000074727370 454624993 /nfs/dbraw/zinc/62/49/93/454624993.db2.gz PQNWBDLEKBUGSZ-INIZCTEOSA-N 1 2 341.346 3.372 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231083 454649618 /nfs/dbraw/zinc/64/96/18/454649618.db2.gz WEQQNUGNAONLCO-PBHICJAKSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231083 454649621 /nfs/dbraw/zinc/64/96/21/454649621.db2.gz WEQQNUGNAONLCO-PBHICJAKSA-N 1 2 345.443 3.254 20 5 EGBDLO CCc1cc(NC[C@H](C)COC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000140425585 454820465 /nfs/dbraw/zinc/82/04/65/454820465.db2.gz LZQUTQFHCPZIAL-LBPRGKRZSA-N 1 2 330.388 3.309 20 5 EGBDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163526537 454852688 /nfs/dbraw/zinc/85/26/88/454852688.db2.gz ULVYFWTWMSRXSX-LBPRGKRZSA-N 1 2 339.823 3.129 20 5 EGBDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163526537 454852691 /nfs/dbraw/zinc/85/26/91/454852691.db2.gz ULVYFWTWMSRXSX-LBPRGKRZSA-N 1 2 339.823 3.129 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000178151364 454938872 /nfs/dbraw/zinc/93/88/72/454938872.db2.gz PZBNZISJTAKDBX-UHFFFAOYSA-N 1 2 325.372 3.459 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000128000447 455017354 /nfs/dbraw/zinc/01/73/54/455017354.db2.gz KTBAAGLMBZBFHA-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000128000447 455017357 /nfs/dbraw/zinc/01/73/57/455017357.db2.gz KTBAAGLMBZBFHA-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])cc1OC ZINC000179382281 455043169 /nfs/dbraw/zinc/04/31/69/455043169.db2.gz SEZSNGGOIOPZIX-UHFFFAOYSA-N 1 2 337.401 3.009 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])cc1OC ZINC000179382281 455043174 /nfs/dbraw/zinc/04/31/74/455043174.db2.gz SEZSNGGOIOPZIX-UHFFFAOYSA-N 1 2 337.401 3.009 20 5 EGBDLO CC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000117152788 455079930 /nfs/dbraw/zinc/07/99/30/455079930.db2.gz OYJUNHKYSXFVCK-AWEZNQCLSA-N 1 2 342.399 3.433 20 5 EGBDLO Cc1cc(N[C@H]2CCCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000182988165 455204516 /nfs/dbraw/zinc/20/45/16/455204516.db2.gz GENLBXDWFOQEKY-AWEZNQCLSA-N 1 2 328.372 3.341 20 5 EGBDLO COC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181436328 455334218 /nfs/dbraw/zinc/33/42/18/455334218.db2.gz RAKBSSGJIGFFBU-HNNXBMFYSA-N 1 2 340.301 3.489 20 5 EGBDLO COc1cccc(NCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000185121332 455505221 /nfs/dbraw/zinc/50/52/21/455505221.db2.gz HRLGTJQPJIIGAZ-UHFFFAOYSA-N 1 2 326.356 3.374 20 5 EGBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000192179414 455569815 /nfs/dbraw/zinc/56/98/15/455569815.db2.gz TYPUJZDANQRNKW-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000192179414 455569819 /nfs/dbraw/zinc/56/98/19/455569819.db2.gz TYPUJZDANQRNKW-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1[N+](=O)[O-] ZINC000271526431 455673092 /nfs/dbraw/zinc/67/30/92/455673092.db2.gz PBNYPMJLGFUETO-QWRGUYRKSA-N 1 2 333.392 3.086 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(CC(F)F)CC2)ccc1Cl ZINC000271623804 455703318 /nfs/dbraw/zinc/70/33/18/455703318.db2.gz XKZGZHHSIOPDIE-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(CC(F)F)CC2)ccc1Cl ZINC000271623804 455703323 /nfs/dbraw/zinc/70/33/23/455703323.db2.gz XKZGZHHSIOPDIE-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000270011999 455856405 /nfs/dbraw/zinc/85/64/05/455856405.db2.gz BDJXPSSGMKCFTM-HNNXBMFYSA-N 1 2 337.383 3.317 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC=C(C(F)(F)F)CC3)nc2c1 ZINC000270149737 455888907 /nfs/dbraw/zinc/88/89/07/455888907.db2.gz GAXRCWODNOCYLW-UHFFFAOYSA-N 1 2 327.262 3.430 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC=C(C(F)(F)F)CC3)nc2c1 ZINC000270149737 455888913 /nfs/dbraw/zinc/88/89/13/455888913.db2.gz GAXRCWODNOCYLW-UHFFFAOYSA-N 1 2 327.262 3.430 20 5 EGBDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000280123501 455896826 /nfs/dbraw/zinc/89/68/26/455896826.db2.gz CUXRGBCTAJCPML-UHFFFAOYSA-N 1 2 337.383 3.489 20 5 EGBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672408 456011637 /nfs/dbraw/zinc/01/16/37/456011637.db2.gz XKXAXICKJXKUBN-WFASDCNBSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672408 456011641 /nfs/dbraw/zinc/01/16/41/456011641.db2.gz XKXAXICKJXKUBN-WFASDCNBSA-N 1 2 331.372 3.249 20 5 EGBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271215370 456178036 /nfs/dbraw/zinc/17/80/36/456178036.db2.gz WLOMNMCKRCPVPU-RSPPDBIESA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271215370 456178041 /nfs/dbraw/zinc/17/80/41/456178041.db2.gz WLOMNMCKRCPVPU-RSPPDBIESA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271217402 456179547 /nfs/dbraw/zinc/17/95/47/456179547.db2.gz XICLUQLLQNTMKX-VXMWWYGOSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271217402 456179551 /nfs/dbraw/zinc/17/95/51/456179551.db2.gz XICLUQLLQNTMKX-VXMWWYGOSA-N 1 2 348.424 3.196 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000271286693 456204991 /nfs/dbraw/zinc/20/49/91/456204991.db2.gz HLXCOCFDTVHKNB-CHWSQXEVSA-N 1 2 343.387 3.050 20 5 EGBDLO COc1cc(NCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])cc1OC ZINC000301866505 456238101 /nfs/dbraw/zinc/23/81/01/456238101.db2.gz BOCMPIHQIQAJHF-UHFFFAOYSA-N 1 2 342.355 3.180 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(c3ccncn3)CC2)c(F)c1 ZINC000298022518 456345680 /nfs/dbraw/zinc/34/56/80/456345680.db2.gz BGORXQHUVOTGCS-UHFFFAOYSA-N 1 2 334.326 3.043 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000281901946 456354793 /nfs/dbraw/zinc/35/47/93/456354793.db2.gz UGQAGAFHTATTIM-HNNXBMFYSA-N 1 2 346.362 3.318 20 5 EGBDLO CCCC[N@H+](C)c1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000290631695 456389039 /nfs/dbraw/zinc/38/90/39/456389039.db2.gz MSCMRVNSXUMAAF-UHFFFAOYSA-N 1 2 343.387 3.069 20 5 EGBDLO CCCC[N@@H+](C)c1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000290631695 456389047 /nfs/dbraw/zinc/38/90/47/456389047.db2.gz MSCMRVNSXUMAAF-UHFFFAOYSA-N 1 2 343.387 3.069 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000302810503 456406786 /nfs/dbraw/zinc/40/67/86/456406786.db2.gz GXPZIFUKTJGBTH-NWDGAFQWSA-N 1 2 327.812 3.078 20 5 EGBDLO Cc1cccc(CCCNc2ncnc3sc([N+](=O)[O-])cc32)[nH+]1 ZINC000343227672 456467562 /nfs/dbraw/zinc/46/75/62/456467562.db2.gz VGNPGPMYHSEFHZ-UHFFFAOYSA-N 1 2 329.385 3.348 20 5 EGBDLO CC(C)(C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000303848949 456490472 /nfs/dbraw/zinc/49/04/72/456490472.db2.gz RJFYNMVXHATSMH-UHFFFAOYSA-N 1 2 330.388 3.337 20 5 EGBDLO CC(C)CCOCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353503729 456720654 /nfs/dbraw/zinc/72/06/54/456720654.db2.gz PAPXANXBMNOELO-QGZVFWFLSA-N 1 2 346.431 3.070 20 5 EGBDLO CC(C)[N@H+](Cc1nnc2n1CCCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000299569665 456732205 /nfs/dbraw/zinc/73/22/05/456732205.db2.gz HBKHVRQXGBYORG-UHFFFAOYSA-N 1 2 343.431 3.323 20 5 EGBDLO CC(C)[N@@H+](Cc1nnc2n1CCCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000299569665 456732212 /nfs/dbraw/zinc/73/22/12/456732212.db2.gz HBKHVRQXGBYORG-UHFFFAOYSA-N 1 2 343.431 3.323 20 5 EGBDLO C[C@@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1cncs1 ZINC000340911846 456756233 /nfs/dbraw/zinc/75/62/33/456756233.db2.gz UUJLBCFRGSLHNO-GFCCVEGCSA-N 1 2 348.428 3.057 20 5 EGBDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000348549252 456759565 /nfs/dbraw/zinc/75/95/65/456759565.db2.gz BGYMBMUZLAIONQ-UHFFFAOYSA-N 1 2 348.790 3.022 20 5 EGBDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000348549252 456759570 /nfs/dbraw/zinc/75/95/70/456759570.db2.gz BGYMBMUZLAIONQ-UHFFFAOYSA-N 1 2 348.790 3.022 20 5 EGBDLO CCn1c2ccccc2[nH+]c1CCNc1ncc([N+](=O)[O-])cc1C ZINC000301183393 456816744 /nfs/dbraw/zinc/81/67/44/456816744.db2.gz IVHLXBPCIYWORA-UHFFFAOYSA-N 1 2 325.372 3.322 20 5 EGBDLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@]1=O ZINC000277451740 456830497 /nfs/dbraw/zinc/83/04/97/456830497.db2.gz JXOHAOVUZOFMJA-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@]1=O ZINC000277451740 456830505 /nfs/dbraw/zinc/83/05/05/456830505.db2.gz JXOHAOVUZOFMJA-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO COc1cc(C[NH2+][C@H](C)c2ccon2)c([N+](=O)[O-])cc1OC(F)F ZINC000349196918 456910971 /nfs/dbraw/zinc/91/09/71/456910971.db2.gz IDQQJRZWMPDHAE-MRVPVSSYSA-N 1 2 343.286 3.044 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341887510 456987138 /nfs/dbraw/zinc/98/71/38/456987138.db2.gz LRQQEDVYODVWOR-UHFFFAOYSA-N 1 2 342.399 3.124 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000330886695 457099893 /nfs/dbraw/zinc/09/98/93/457099893.db2.gz DXLKTJKKQOPRTM-MRXNPFEDSA-N 1 2 333.432 3.064 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000330886695 457099901 /nfs/dbraw/zinc/09/99/01/457099901.db2.gz DXLKTJKKQOPRTM-MRXNPFEDSA-N 1 2 333.432 3.064 20 5 EGBDLO CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000356757151 457152263 /nfs/dbraw/zinc/15/22/63/457152263.db2.gz YYMNYYWNOHSMME-UHFFFAOYSA-N 1 2 342.399 3.481 20 5 EGBDLO Cc1cc(NCc2ccc(N)[nH+]c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360055586 457229140 /nfs/dbraw/zinc/22/91/40/457229140.db2.gz VXJPOGUUQXPDKS-UHFFFAOYSA-N 1 2 326.278 3.342 20 5 EGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357119254 457333498 /nfs/dbraw/zinc/33/34/98/457333498.db2.gz NFWLZPIHUKXBAT-BXUZGUMPSA-N 1 2 346.412 3.162 20 5 EGBDLO C[C@@H]1SCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccccc1 ZINC000370055811 457519629 /nfs/dbraw/zinc/51/96/29/457519629.db2.gz NEISFICYOIBRAG-SWLSCSKDSA-N 1 2 332.429 3.007 20 5 EGBDLO C[C@@H]1SCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccccc1 ZINC000370055811 457519636 /nfs/dbraw/zinc/51/96/36/457519636.db2.gz NEISFICYOIBRAG-SWLSCSKDSA-N 1 2 332.429 3.007 20 5 EGBDLO COCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCSC1 ZINC000433205485 457778875 /nfs/dbraw/zinc/77/88/75/457778875.db2.gz FKHUZWHXFQRXMB-NSHDSACASA-N 1 2 346.399 3.217 20 5 EGBDLO COCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCSC1 ZINC000433205485 457778881 /nfs/dbraw/zinc/77/88/81/457778881.db2.gz FKHUZWHXFQRXMB-NSHDSACASA-N 1 2 346.399 3.217 20 5 EGBDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000375931008 458129404 /nfs/dbraw/zinc/12/94/04/458129404.db2.gz JSYQKMDONYCLNR-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000375931008 458129410 /nfs/dbraw/zinc/12/94/10/458129410.db2.gz JSYQKMDONYCLNR-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO Cn1c[nH+]cc1CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000447359379 458288950 /nfs/dbraw/zinc/28/89/50/458288950.db2.gz PAAJCKKZVUIFMT-UHFFFAOYSA-N 1 2 328.191 3.383 20 5 EGBDLO CCCC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447817025 458346014 /nfs/dbraw/zinc/34/60/14/458346014.db2.gz MJVLFINEEMQOCX-UHFFFAOYSA-N 1 2 333.432 3.419 20 5 EGBDLO Cc1cc(N[C@H](C)[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503274710 458700336 /nfs/dbraw/zinc/70/03/36/458700336.db2.gz JTTNOTCGPNVJBO-UKRRQHHQSA-N 1 2 342.399 3.009 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000556257353 458942578 /nfs/dbraw/zinc/94/25/78/458942578.db2.gz BKULBROFUGJYSL-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO Cc1cc(N2CCO[C@H](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477030373 459026648 /nfs/dbraw/zinc/02/66/48/459026648.db2.gz CSCCNHCRCKMSMH-INIZCTEOSA-N 1 2 342.399 3.221 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000590153426 459093422 /nfs/dbraw/zinc/09/34/22/459093422.db2.gz JYWPQDGZIYGEND-CQSZACIVSA-N 1 2 349.456 3.303 20 5 EGBDLO COc1c(C)[nH+]c(C2CC2)nc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000590572741 459152539 /nfs/dbraw/zinc/15/25/39/459152539.db2.gz NZCUKTFFGNWMIX-UHFFFAOYSA-N 1 2 328.372 3.216 20 5 EGBDLO CC(C)Oc1nc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000578143570 459154083 /nfs/dbraw/zinc/15/40/83/459154083.db2.gz UPEPPBRVOWTZKL-HIFRSBDPSA-N 1 2 345.403 3.061 20 5 EGBDLO COc1ccc(C[N@@H+]2CCc3cccc(OC)c3C2)cc1[N+](=O)[O-] ZINC000590660578 459175174 /nfs/dbraw/zinc/17/51/74/459175174.db2.gz QNISKZMHCIHAHG-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc(C[N@H+]2CCc3cccc(OC)c3C2)cc1[N+](=O)[O-] ZINC000590660578 459175178 /nfs/dbraw/zinc/17/51/78/459175178.db2.gz QNISKZMHCIHAHG-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CC(C(F)F)C3)cs2)c1 ZINC000590968687 459285456 /nfs/dbraw/zinc/28/54/56/459285456.db2.gz AAKGPIOHRQCJGW-UHFFFAOYSA-N 1 2 325.340 3.415 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](C2CCC2)C1 ZINC000591126707 459318605 /nfs/dbraw/zinc/31/86/05/459318605.db2.gz LEJGKQPDODVNJE-OAHLLOKOSA-N 1 2 340.383 3.043 20 5 EGBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541052588 459422018 /nfs/dbraw/zinc/42/20/18/459422018.db2.gz GKVOTBSFGRSHLN-AWEZNQCLSA-N 1 2 336.775 3.080 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCC2)O1 ZINC000592187234 459546433 /nfs/dbraw/zinc/54/64/33/459546433.db2.gz MNBAZTRQSFHZBK-CYBMUJFWSA-N 1 2 343.383 3.393 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC2(CCC2)O1 ZINC000592187234 459546436 /nfs/dbraw/zinc/54/64/36/459546436.db2.gz MNBAZTRQSFHZBK-CYBMUJFWSA-N 1 2 343.383 3.393 20 5 EGBDLO Cc1ccc([C@@H](C)Nc2nc(C)[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000542949799 459613074 /nfs/dbraw/zinc/61/30/74/459613074.db2.gz YCIPMBYTNWEOBH-GFCCVEGCSA-N 1 2 326.400 3.475 20 5 EGBDLO O=[N+]([O-])c1ccc(/C=C\c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000545015701 459797347 /nfs/dbraw/zinc/79/73/47/459797347.db2.gz YAJGPXYFFZGPKB-TWGQIWQCSA-N 1 2 347.334 3.387 20 5 EGBDLO COC[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602467394 459952742 /nfs/dbraw/zinc/95/27/42/459952742.db2.gz JADVPWLFFCWIPG-VIFPVBQESA-N 1 2 349.250 3.277 20 5 EGBDLO COC[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602467394 459952753 /nfs/dbraw/zinc/95/27/53/459952753.db2.gz JADVPWLFFCWIPG-VIFPVBQESA-N 1 2 349.250 3.277 20 5 EGBDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000609543879 459980183 /nfs/dbraw/zinc/98/01/83/459980183.db2.gz RMPIKOCYKPUJSI-UHFFFAOYSA-N 1 2 342.395 3.203 20 5 EGBDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000609543879 459980190 /nfs/dbraw/zinc/98/01/90/459980190.db2.gz RMPIKOCYKPUJSI-UHFFFAOYSA-N 1 2 342.395 3.203 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000588806964 459985016 /nfs/dbraw/zinc/98/50/16/459985016.db2.gz PZGCGMYYBZISPA-UHFFFAOYSA-N 1 2 345.424 3.181 20 5 EGBDLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602589198 460012976 /nfs/dbraw/zinc/01/29/76/460012976.db2.gz DVQOASQNPBVKQS-BDAKNGLRSA-N 1 2 349.250 3.012 20 5 EGBDLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602589198 460012982 /nfs/dbraw/zinc/01/29/82/460012982.db2.gz DVQOASQNPBVKQS-BDAKNGLRSA-N 1 2 349.250 3.012 20 5 EGBDLO Cc1ccccc1C[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589104457 460029498 /nfs/dbraw/zinc/02/94/98/460029498.db2.gz YTIOMCXVEKEJTF-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(F)cc3c1OCOC3)CC2 ZINC000610676737 460212968 /nfs/dbraw/zinc/21/29/68/460212968.db2.gz PQGFLUMXYDYWNB-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc(F)cc3c1OCOC3)CC2 ZINC000610676737 460212973 /nfs/dbraw/zinc/21/29/73/460212973.db2.gz PQGFLUMXYDYWNB-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000610943843 460263957 /nfs/dbraw/zinc/26/39/57/460263957.db2.gz MFCRQSCOWRLKTJ-LBPRGKRZSA-N 1 2 347.371 3.046 20 5 EGBDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000610943843 460263961 /nfs/dbraw/zinc/26/39/61/460263961.db2.gz MFCRQSCOWRLKTJ-LBPRGKRZSA-N 1 2 347.371 3.046 20 5 EGBDLO Cc1noc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000599507037 460264181 /nfs/dbraw/zinc/26/41/81/460264181.db2.gz NCSKZYODBADWSS-UHFFFAOYSA-N 1 2 335.335 3.074 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599512622 460265123 /nfs/dbraw/zinc/26/51/23/460265123.db2.gz LJRUKGQVOMDNAV-VXGBXAGGSA-N 1 2 341.358 3.065 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC(F)(F)CC1 ZINC000599551872 460272568 /nfs/dbraw/zinc/27/25/68/460272568.db2.gz BYMURVQQMKXYSH-NSHDSACASA-N 1 2 327.331 3.043 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC(F)(F)CC1 ZINC000599551872 460272572 /nfs/dbraw/zinc/27/25/72/460272572.db2.gz BYMURVQQMKXYSH-NSHDSACASA-N 1 2 327.331 3.043 20 5 EGBDLO CCC(CC)C(=O)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611254847 460318067 /nfs/dbraw/zinc/31/80/67/460318067.db2.gz JHYIPTGXOCQLBM-CLFYSBASSA-N 1 2 345.443 3.188 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000619531866 460377104 /nfs/dbraw/zinc/37/71/04/460377104.db2.gz DUHXWXKTGXJCIY-AWEZNQCLSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000619531866 460377108 /nfs/dbraw/zinc/37/71/08/460377108.db2.gz DUHXWXKTGXJCIY-AWEZNQCLSA-N 1 2 348.321 3.147 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCc3cc(F)ccc3C1)OCCO2 ZINC000611530705 460390486 /nfs/dbraw/zinc/39/04/86/460390486.db2.gz XDESZHYVLPTCSG-UHFFFAOYSA-N 1 2 344.342 3.063 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCc3cc(F)ccc3C1)OCCO2 ZINC000611530705 460390493 /nfs/dbraw/zinc/39/04/93/460390493.db2.gz XDESZHYVLPTCSG-UHFFFAOYSA-N 1 2 344.342 3.063 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000619782758 460442620 /nfs/dbraw/zinc/44/26/20/460442620.db2.gz IBJOJLGWWXRBFI-UHFFFAOYSA-N 1 2 346.358 3.397 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000619782758 460442624 /nfs/dbraw/zinc/44/26/24/460442624.db2.gz IBJOJLGWWXRBFI-UHFFFAOYSA-N 1 2 346.358 3.397 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])cc1F ZINC000184289809 533805084 /nfs/dbraw/zinc/80/50/84/533805084.db2.gz QBPOGOIFFMJTJS-CQSZACIVSA-N 1 2 348.378 3.420 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])cc1F ZINC000184289809 533805092 /nfs/dbraw/zinc/80/50/92/533805092.db2.gz QBPOGOIFFMJTJS-CQSZACIVSA-N 1 2 348.378 3.420 20 5 EGBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000729338103 574843974 /nfs/dbraw/zinc/84/39/74/574843974.db2.gz PNWYAGZVWOVFIN-CXOKCQFOSA-N 1 2 342.399 3.036 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000731791914 575208228 /nfs/dbraw/zinc/20/82/28/575208228.db2.gz CDEJZVNQUISSSC-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO CC(C)[C@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000733294148 575325458 /nfs/dbraw/zinc/32/54/58/575325458.db2.gz UPUHADBCWDDGQB-INIZCTEOSA-N 1 2 333.432 3.267 20 5 EGBDLO CC(C)[C@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000733294148 575325460 /nfs/dbraw/zinc/32/54/60/575325460.db2.gz UPUHADBCWDDGQB-INIZCTEOSA-N 1 2 333.432 3.267 20 5 EGBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c[nH+]1 ZINC000829463726 1292576077 /nfs/dbraw/zinc/57/60/77/1292576077.db2.gz OPJPASDRTNGGRC-UHFFFAOYSA-N 1 2 340.383 3.111 20 5 EGBDLO Cn1cc(Cl)cc1C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000121089683 1293354100 /nfs/dbraw/zinc/35/41/00/1293354100.db2.gz YQEILPNEORELLM-UHFFFAOYSA-N 1 2 333.779 3.026 20 5 EGBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000121089683 1293354107 /nfs/dbraw/zinc/35/41/07/1293354107.db2.gz YQEILPNEORELLM-UHFFFAOYSA-N 1 2 333.779 3.026 20 5 EGBDLO Cc1ncsc1C[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179547564 1294803873 /nfs/dbraw/zinc/80/38/73/1294803873.db2.gz KDKYAYJLYYCDCU-UHFFFAOYSA-N 1 2 331.401 3.107 20 5 EGBDLO Cc1ncsc1C[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179547564 1294803884 /nfs/dbraw/zinc/80/38/84/1294803884.db2.gz KDKYAYJLYYCDCU-UHFFFAOYSA-N 1 2 331.401 3.107 20 5 EGBDLO CO[C@@]1(C)CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000230261384 1296163325 /nfs/dbraw/zinc/16/33/25/1296163325.db2.gz CZXIERYANMSZQA-AWEZNQCLSA-N 1 2 343.221 3.358 20 5 EGBDLO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000230261384 1296163332 /nfs/dbraw/zinc/16/33/32/1296163332.db2.gz CZXIERYANMSZQA-AWEZNQCLSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1cccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000748491461 1299023550 /nfs/dbraw/zinc/02/35/50/1299023550.db2.gz JNYGQBDBPMVBIG-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000760523906 1301288895 /nfs/dbraw/zinc/28/88/95/1301288895.db2.gz CNNCVGJDTMCEOR-LBPRGKRZSA-N 1 2 338.314 3.234 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000770010112 1303206322 /nfs/dbraw/zinc/20/63/22/1303206322.db2.gz YAECXSARQZJEOX-GFCCVEGCSA-N 1 2 349.778 3.314 20 5 EGBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000791310367 1308955978 /nfs/dbraw/zinc/95/59/78/1308955978.db2.gz SQIXWGRNQOGCLH-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCCCC[C@@H]2CO)cc1Br ZINC000895150374 1309212663 /nfs/dbraw/zinc/21/26/63/1309212663.db2.gz LHXJEGHFHVVBRP-SECBINFHSA-N 1 2 349.250 3.156 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCCCC[C@@H]2CO)cc1Br ZINC000895150374 1309212667 /nfs/dbraw/zinc/21/26/67/1309212667.db2.gz LHXJEGHFHVVBRP-SECBINFHSA-N 1 2 349.250 3.156 20 5 EGBDLO O=[N+]([O-])c1cncc(Cl)c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895354638 1309296560 /nfs/dbraw/zinc/29/65/60/1309296560.db2.gz SEDFEOXEFFIWTE-UHFFFAOYSA-N 1 2 333.779 3.119 20 5 EGBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC000896661107 1309962493 /nfs/dbraw/zinc/96/24/93/1309962493.db2.gz YXISVEJREXZFFQ-UHFFFAOYSA-N 1 2 349.394 3.436 20 5 EGBDLO O=C(O[C@@H]1CCCC[C@H]1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000810892981 1318077479 /nfs/dbraw/zinc/07/74/79/1318077479.db2.gz YCYBQMLOOVJJOW-IUODEOHRSA-N 1 2 333.319 3.218 20 5 EGBDLO Nc1cc(COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc[nH+]1 ZINC000811373658 1318163933 /nfs/dbraw/zinc/16/39/33/1318163933.db2.gz JIUCFNTXTTVLGD-UHFFFAOYSA-N 1 2 342.138 3.236 20 5 EGBDLO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC000917075293 1319749909 /nfs/dbraw/zinc/74/99/09/1319749909.db2.gz DNXNFOXYPBYEHW-UHFFFAOYSA-N 1 2 331.332 3.488 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820858973 1319969399 /nfs/dbraw/zinc/96/93/99/1319969399.db2.gz CYBJGWUQJSSKMB-MLGOLLRUSA-N 1 2 342.399 3.131 20 5 EGBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(C)[nH+]1 ZINC000839236444 1320897346 /nfs/dbraw/zinc/89/73/46/1320897346.db2.gz XNRQBYJTDBVPCN-UHFFFAOYSA-N 1 2 346.362 3.372 20 5 EGBDLO C[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)F ZINC000842437622 1321386353 /nfs/dbraw/zinc/38/63/53/1321386353.db2.gz BIRPSYBINLEMCC-SNVBAGLBSA-N 1 2 339.298 3.229 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000920841598 1322228509 /nfs/dbraw/zinc/22/85/09/1322228509.db2.gz GVHOSHAQWIUHPQ-UHFFFAOYSA-N 1 2 348.428 3.454 20 5 EGBDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932176757 1329791179 /nfs/dbraw/zinc/79/11/79/1329791179.db2.gz BPVHKEUYJHONOI-LLVKDONJSA-N 1 2 327.388 3.249 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607412 1329827036 /nfs/dbraw/zinc/82/70/36/1329827036.db2.gz VOHVNRALMAULAD-UHFFFAOYSA-N 1 2 342.399 3.083 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932607412 1329827038 /nfs/dbraw/zinc/82/70/38/1329827038.db2.gz VOHVNRALMAULAD-UHFFFAOYSA-N 1 2 342.399 3.083 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000866090304 1330064550 /nfs/dbraw/zinc/06/45/50/1330064550.db2.gz RSIDMKYGUJTITQ-UHFFFAOYSA-N 1 2 348.403 3.294 20 5 EGBDLO CCOC(=O)c1cc(Nc2c[nH+]ccc2OCC)cc([N+](=O)[O-])c1 ZINC001211366986 1372541271 /nfs/dbraw/zinc/54/12/71/1372541271.db2.gz AMPDMGZZRXIRML-UHFFFAOYSA-N 1 2 331.328 3.309 20 5 EGBDLO C[NH+](C)CC[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cccs1 ZINC001228971390 1375726680 /nfs/dbraw/zinc/72/66/80/1375726680.db2.gz OSZSCGVFVUAPLJ-LBPRGKRZSA-N 1 2 338.385 3.139 20 5 EGBDLO Cc1cc(O)c(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1[N+](=O)[O-] ZINC001229752632 1375885991 /nfs/dbraw/zinc/88/59/91/1375885991.db2.gz CRDYMAZXKWVRRI-INIZCTEOSA-N 1 2 339.351 3.306 20 5 EGBDLO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001328587883 1388782721 /nfs/dbraw/zinc/78/27/21/1388782721.db2.gz ZPKUKWDBORYUAW-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)c[nH+]cc1C ZINC001337510138 1389375722 /nfs/dbraw/zinc/37/57/22/1389375722.db2.gz OXJUXPJYYZUUGZ-OAHLLOKOSA-N 1 2 327.384 3.236 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000368563262 168373778 /nfs/dbraw/zinc/37/37/78/168373778.db2.gz SSSVMHKWDOVOGH-YVEFUNNKSA-N 1 2 328.372 3.081 20 5 EGBDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000069220362 215370548 /nfs/dbraw/zinc/37/05/48/215370548.db2.gz WTHKARSSJCUFCS-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000069220362 215370550 /nfs/dbraw/zinc/37/05/50/215370550.db2.gz WTHKARSSJCUFCS-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000111375900 220148757 /nfs/dbraw/zinc/14/87/57/220148757.db2.gz SSNOTISNPXAFCU-WDEREUQCSA-N 1 2 348.428 3.292 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000263903519 245834748 /nfs/dbraw/zinc/83/47/48/245834748.db2.gz JUNUYTOVVSPEJU-UHFFFAOYSA-N 1 2 329.360 3.004 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000085636697 217680923 /nfs/dbraw/zinc/68/09/23/217680923.db2.gz JQWXMZUMAGGWSO-UHFFFAOYSA-N 1 2 343.387 3.277 20 5 EGBDLO Cc1ccnc(NCc2cc[nH+]c(N3CCCCC3)c2)c1[N+](=O)[O-] ZINC000265283829 247370416 /nfs/dbraw/zinc/37/04/16/247370416.db2.gz WSRRJFAABVABSR-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO Cc1cccn2cc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH+]c12 ZINC000092826079 218173504 /nfs/dbraw/zinc/17/35/04/218173504.db2.gz RSOGOSHEQSHIKJ-UHFFFAOYSA-N 1 2 327.300 3.071 20 5 EGBDLO COc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1[N+](=O)[O-] ZINC000267625317 251203183 /nfs/dbraw/zinc/20/31/83/251203183.db2.gz MHAORADBGHLRAS-JTQLQIEISA-N 1 2 337.401 3.057 20 5 EGBDLO C[C@@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000185701062 144117838 /nfs/dbraw/zinc/11/78/38/144117838.db2.gz RQQFHBIVSKTIMD-IAQYHMDHSA-N 1 2 346.362 3.314 20 5 EGBDLO CCOC(=O)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000351818329 144310440 /nfs/dbraw/zinc/31/04/40/144310440.db2.gz YUPHTNYXBANPSD-UHFFFAOYSA-N 1 2 344.367 3.382 20 5 EGBDLO CCOC(=O)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000351818329 144310443 /nfs/dbraw/zinc/31/04/43/144310443.db2.gz YUPHTNYXBANPSD-UHFFFAOYSA-N 1 2 344.367 3.382 20 5 EGBDLO COc1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)ccc1[N+](=O)[O-] ZINC000361574138 144331097 /nfs/dbraw/zinc/33/10/97/144331097.db2.gz SLFNKMUCAMBUMT-UHFFFAOYSA-N 1 2 340.379 3.356 20 5 EGBDLO COc1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)ccc1[N+](=O)[O-] ZINC000361574138 144331098 /nfs/dbraw/zinc/33/10/98/144331098.db2.gz SLFNKMUCAMBUMT-UHFFFAOYSA-N 1 2 340.379 3.356 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000117775085 152114802 /nfs/dbraw/zinc/11/48/02/152114802.db2.gz KWXHGRFKKKJBSC-AWEZNQCLSA-N 1 2 348.790 3.268 20 5 EGBDLO O=C(Nc1cccc2ocnc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341582133 155365697 /nfs/dbraw/zinc/36/56/97/155365697.db2.gz HZQYODVIFVKSJU-UHFFFAOYSA-N 1 2 349.306 3.174 20 5 EGBDLO CC(C)[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000338883490 163374387 /nfs/dbraw/zinc/37/43/87/163374387.db2.gz ORRKFUOGKYIICV-HZMBPMFUSA-N 1 2 334.351 3.074 20 5 EGBDLO Cc1[nH]nc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC000354764145 166025716 /nfs/dbraw/zinc/02/57/16/166025716.db2.gz RFWQWWVRMFOPLH-UHFFFAOYSA-N 1 2 339.311 3.066 20 5 EGBDLO CC(C)CN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC000343947209 164071287 /nfs/dbraw/zinc/07/12/87/164071287.db2.gz HUBZOUMPPADJMB-UHFFFAOYSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)CN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC000343947209 164071290 /nfs/dbraw/zinc/07/12/90/164071290.db2.gz HUBZOUMPPADJMB-UHFFFAOYSA-N 1 2 347.459 3.452 20 5 EGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344211707 164127754 /nfs/dbraw/zinc/12/77/54/164127754.db2.gz DPTKXCRWGKQEEO-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO CCc1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000355094862 166104349 /nfs/dbraw/zinc/10/43/49/166104349.db2.gz AVUHHZMPXZFENJ-UHFFFAOYSA-N 1 2 343.368 3.052 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000355787341 166309913 /nfs/dbraw/zinc/30/99/13/166309913.db2.gz ADCGQZZOHNHZLH-UHFFFAOYSA-N 1 2 329.187 3.267 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000355787341 166309915 /nfs/dbraw/zinc/30/99/15/166309915.db2.gz ADCGQZZOHNHZLH-UHFFFAOYSA-N 1 2 329.187 3.267 20 5 EGBDLO O=C(c1cccc([N+](=O)[O-])c1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000358958491 167018811 /nfs/dbraw/zinc/01/88/11/167018811.db2.gz YAKHQPDVIWTAQF-UHFFFAOYSA-N 1 2 340.314 3.304 20 5 EGBDLO Cc1c(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000359026292 167041617 /nfs/dbraw/zinc/04/16/17/167041617.db2.gz IDFSIBPITPBZDT-SFHVURJKSA-N 1 2 339.395 3.013 20 5 EGBDLO CC(C)CCSc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000359120384 167072834 /nfs/dbraw/zinc/07/28/34/167072834.db2.gz CYGWLTJKJVOZAB-UHFFFAOYSA-N 1 2 348.428 3.386 20 5 EGBDLO CC(C)CCSc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000359120384 167072836 /nfs/dbraw/zinc/07/28/36/167072836.db2.gz CYGWLTJKJVOZAB-UHFFFAOYSA-N 1 2 348.428 3.386 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000359345486 167131785 /nfs/dbraw/zinc/13/17/85/167131785.db2.gz AUOOXQMNLCBICP-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNc1nc3ccccc3cc1[N+](=O)[O-])CCC2 ZINC000365034367 168014038 /nfs/dbraw/zinc/01/40/38/168014038.db2.gz JJIXOEFRKRCQME-AWEZNQCLSA-N 1 2 337.383 3.059 20 5 EGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(O)c1 ZINC000181559098 275208030 /nfs/dbraw/zinc/20/80/30/275208030.db2.gz OCIRSZVFFBJXDP-LLVKDONJSA-N 1 2 340.339 3.201 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000289754975 276388592 /nfs/dbraw/zinc/38/85/92/276388592.db2.gz KGVOKCNKCMTOTL-ZDUSSCGKSA-N 1 2 343.387 3.292 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1F ZINC000007421714 278157290 /nfs/dbraw/zinc/15/72/90/278157290.db2.gz ZZIFQAOFOXIXCX-GFCCVEGCSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1F ZINC000007421714 278157293 /nfs/dbraw/zinc/15/72/93/278157293.db2.gz ZZIFQAOFOXIXCX-GFCCVEGCSA-N 1 2 331.347 3.193 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000058957626 307350212 /nfs/dbraw/zinc/35/02/12/307350212.db2.gz GYBLVGIZPAUBBG-UHFFFAOYSA-N 1 2 347.346 3.027 20 5 EGBDLO Cc1cc(N)nc(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[nH+]1 ZINC000089634663 307450143 /nfs/dbraw/zinc/45/01/43/307450143.db2.gz ZUGDQUOMFWBCKI-UHFFFAOYSA-N 1 2 343.368 3.223 20 5 EGBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000255044346 308038246 /nfs/dbraw/zinc/03/82/46/308038246.db2.gz HHXVJEGJCSTQFG-LZNQSLFOSA-N 1 2 326.356 3.085 20 5 EGBDLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293118297 308100895 /nfs/dbraw/zinc/10/08/95/308100895.db2.gz KHHBUIOAZDYARV-NHYWBVRUSA-N 1 2 335.791 3.160 20 5 EGBDLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293118297 308100896 /nfs/dbraw/zinc/10/08/96/308100896.db2.gz KHHBUIOAZDYARV-NHYWBVRUSA-N 1 2 335.791 3.160 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000294792366 308257377 /nfs/dbraw/zinc/25/73/77/308257377.db2.gz MCNBWDGPAQNCLH-MRXNPFEDSA-N 1 2 344.415 3.310 20 5 EGBDLO COc1ccc(C[NH+]2CC(COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000297407175 308530913 /nfs/dbraw/zinc/53/09/13/308530913.db2.gz MAUNNNOCTXHXAT-UHFFFAOYSA-N 1 2 328.368 3.114 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000298281101 308600367 /nfs/dbraw/zinc/60/03/67/308600367.db2.gz RBGPYJMPWPYEIH-UHFFFAOYSA-N 1 2 343.343 3.110 20 5 EGBDLO Cc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301461729 308701368 /nfs/dbraw/zinc/70/13/68/308701368.db2.gz ZSXVFCQVMCXAPV-RYUDHWBXSA-N 1 2 327.812 3.078 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000301797952 308715793 /nfs/dbraw/zinc/71/57/93/308715793.db2.gz RFWXKCYPYFTMOR-UHFFFAOYSA-N 1 2 339.367 3.257 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1csnn1 ZINC000412049132 308965685 /nfs/dbraw/zinc/96/56/85/308965685.db2.gz YKXBOOPUQGRYAI-SSDOTTSWSA-N 1 2 332.307 3.316 20 5 EGBDLO CCOCC[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000429209637 309573773 /nfs/dbraw/zinc/57/37/73/309573773.db2.gz PPRRWOVUEXQUPN-UHFFFAOYSA-N 1 2 348.230 3.060 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCC(F)(F)F ZINC000440654739 309854073 /nfs/dbraw/zinc/85/40/73/309854073.db2.gz UDQFXGDWDCWEPP-UHFFFAOYSA-N 1 2 347.337 3.181 20 5 EGBDLO CCCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448673183 310011941 /nfs/dbraw/zinc/01/19/41/310011941.db2.gz OGMPAJBFRDXPNI-UHFFFAOYSA-N 1 2 330.388 3.289 20 5 EGBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449663766 310078769 /nfs/dbraw/zinc/07/87/69/310078769.db2.gz PAIITWFOJOJFLP-DZKIICNBSA-N 1 2 334.416 3.236 20 5 EGBDLO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000449925136 310094330 /nfs/dbraw/zinc/09/43/30/310094330.db2.gz ALHIFFCOUZZBDE-CHWSQXEVSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449937979 310094989 /nfs/dbraw/zinc/09/49/89/310094989.db2.gz HXDBPKMOMNILGW-KGLIPLIRSA-N 1 2 342.399 3.431 20 5 EGBDLO CCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450116710 310104346 /nfs/dbraw/zinc/10/43/46/310104346.db2.gz RSMZYXKRKRTJKI-UHFFFAOYSA-N 1 2 328.372 3.091 20 5 EGBDLO CO[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000450777645 310142197 /nfs/dbraw/zinc/14/21/97/310142197.db2.gz STIZIYNEQSGVEB-MLGOLLRUSA-N 1 2 342.399 3.221 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455457956 310361411 /nfs/dbraw/zinc/36/14/11/310361411.db2.gz CWUVFLYPSCPZME-HZMBPMFUSA-N 1 2 329.360 3.181 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455457960 310361427 /nfs/dbraw/zinc/36/14/27/310361427.db2.gz CWUVFLYPSCPZME-QMTHXVAHSA-N 1 2 329.360 3.181 20 5 EGBDLO COC(=O)[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000475148099 310807380 /nfs/dbraw/zinc/80/73/80/310807380.db2.gz XMTWAMHEUCHMIW-MRXNPFEDSA-N 1 2 346.408 3.365 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489214293 311096007 /nfs/dbraw/zinc/09/60/07/311096007.db2.gz GRLMZAKDTKIYNW-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489214293 311096008 /nfs/dbraw/zinc/09/60/08/311096008.db2.gz GRLMZAKDTKIYNW-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000492416208 311248359 /nfs/dbraw/zinc/24/83/59/311248359.db2.gz JIZLABKKJVBZET-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000492416208 311248360 /nfs/dbraw/zinc/24/83/60/311248360.db2.gz JIZLABKKJVBZET-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000510506235 312141795 /nfs/dbraw/zinc/14/17/95/312141795.db2.gz OCAXAKBCPAMDFA-UHFFFAOYSA-N 1 2 348.406 3.465 20 5 EGBDLO CNc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000522861341 312602730 /nfs/dbraw/zinc/60/27/30/312602730.db2.gz VOIBYZQBDDHWJP-UHFFFAOYSA-N 1 2 337.339 3.279 20 5 EGBDLO O=[N+]([O-])c1cnc(NCCCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000582347199 325434051 /nfs/dbraw/zinc/43/40/51/325434051.db2.gz MFBHNJZJEIGPHO-UHFFFAOYSA-N 1 2 329.282 3.097 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000010341152 453287601 /nfs/dbraw/zinc/28/76/01/453287601.db2.gz RIAZBLMVHWQCNO-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000010341152 453287609 /nfs/dbraw/zinc/28/76/09/453287609.db2.gz RIAZBLMVHWQCNO-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO Cc1nc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000026349360 453797443 /nfs/dbraw/zinc/79/74/43/453797443.db2.gz YERXDKOZFIVJAG-LLVKDONJSA-N 1 2 348.428 3.127 20 5 EGBDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000026349360 453797446 /nfs/dbraw/zinc/79/74/46/453797446.db2.gz YERXDKOZFIVJAG-LLVKDONJSA-N 1 2 348.428 3.127 20 5 EGBDLO Cc1ccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000052993930 453852266 /nfs/dbraw/zinc/85/22/66/453852266.db2.gz NRNTYXFIXDBGKQ-UHFFFAOYSA-N 1 2 329.356 3.099 20 5 EGBDLO Cc1ccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000052993930 453852268 /nfs/dbraw/zinc/85/22/68/453852268.db2.gz NRNTYXFIXDBGKQ-UHFFFAOYSA-N 1 2 329.356 3.099 20 5 EGBDLO C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032654770 453881895 /nfs/dbraw/zinc/88/18/95/453881895.db2.gz SRFQDURGXIZCBV-TZMCWYRMSA-N 1 2 328.372 3.089 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)c[nH+]1 ZINC000067200268 453910188 /nfs/dbraw/zinc/91/01/88/453910188.db2.gz SEBZZGZGONHDIG-UHFFFAOYSA-N 1 2 342.399 3.074 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccco1 ZINC000038240151 453940671 /nfs/dbraw/zinc/94/06/71/453940671.db2.gz IKZAOBYPDJPVTN-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccco1 ZINC000038240151 453940673 /nfs/dbraw/zinc/94/06/73/453940673.db2.gz IKZAOBYPDJPVTN-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000069447698 454107178 /nfs/dbraw/zinc/10/71/78/454107178.db2.gz FWMSHDQEDZIMPM-OAHLLOKOSA-N 1 2 333.413 3.142 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000044724877 454116094 /nfs/dbraw/zinc/11/60/94/454116094.db2.gz LDTRIMCOFZSSKT-GOSISDBHSA-N 1 2 327.384 3.080 20 5 EGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000048232732 454460495 /nfs/dbraw/zinc/46/04/95/454460495.db2.gz IJPSKRYNJQLVDB-UHFFFAOYSA-N 1 2 348.322 3.114 20 5 EGBDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000051530381 454627533 /nfs/dbraw/zinc/62/75/33/454627533.db2.gz APQBYMAEJUDURT-UHFFFAOYSA-N 1 2 339.355 3.251 20 5 EGBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231123 454649628 /nfs/dbraw/zinc/64/96/28/454649628.db2.gz WEQQNUGNAONLCO-RHSMWYFYSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231123 454649630 /nfs/dbraw/zinc/64/96/30/454649630.db2.gz WEQQNUGNAONLCO-RHSMWYFYSA-N 1 2 345.443 3.254 20 5 EGBDLO Cc1c([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000152665359 454708337 /nfs/dbraw/zinc/70/83/37/454708337.db2.gz VNSZKDNTSCIHCF-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000106862561 454724460 /nfs/dbraw/zinc/72/44/60/454724460.db2.gz ZTRGXVGLBNLBDT-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000106862561 454724464 /nfs/dbraw/zinc/72/44/64/454724464.db2.gz ZTRGXVGLBNLBDT-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc(F)c1 ZINC000153303601 454780155 /nfs/dbraw/zinc/78/01/55/454780155.db2.gz KAMHFKXPZILLOT-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc(F)c1 ZINC000153303601 454780159 /nfs/dbraw/zinc/78/01/59/454780159.db2.gz KAMHFKXPZILLOT-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000162577447 454784690 /nfs/dbraw/zinc/78/46/90/454784690.db2.gz FWTAXTLWRQXYRA-CQSZACIVSA-N 1 2 329.360 3.385 20 5 EGBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000162946644 454811607 /nfs/dbraw/zinc/81/16/07/454811607.db2.gz QJAGTPHBEZRTGF-UONOGXRCSA-N 1 2 342.399 3.289 20 5 EGBDLO Cc1nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c(C)[nH+]1 ZINC000177832560 454911095 /nfs/dbraw/zinc/91/10/95/454911095.db2.gz HTUVOISTGGVTEZ-UHFFFAOYSA-N 1 2 342.399 3.358 20 5 EGBDLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775136 454975854 /nfs/dbraw/zinc/97/58/54/454975854.db2.gz TXGVAUNEADVRQR-AWEZNQCLSA-N 1 2 333.432 3.206 20 5 EGBDLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775136 454975859 /nfs/dbraw/zinc/97/58/59/454975859.db2.gz TXGVAUNEADVRQR-AWEZNQCLSA-N 1 2 333.432 3.206 20 5 EGBDLO COc1cc(OC)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000179316205 455032403 /nfs/dbraw/zinc/03/24/03/455032403.db2.gz VZIIMMMLKZTBHS-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1cc(OC)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000179316205 455032409 /nfs/dbraw/zinc/03/24/09/455032409.db2.gz VZIIMMMLKZTBHS-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO CC(C)c1nnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000174243031 455373265 /nfs/dbraw/zinc/37/32/65/455373265.db2.gz JWIGCKFOMXAWKD-UHFFFAOYSA-N 1 2 346.387 3.145 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000245843120 455383764 /nfs/dbraw/zinc/38/37/64/455383764.db2.gz IAQZPQBRQAPVQX-MLGOLLRUSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000245843120 455383765 /nfs/dbraw/zinc/38/37/65/455383765.db2.gz IAQZPQBRQAPVQX-MLGOLLRUSA-N 1 2 331.372 3.249 20 5 EGBDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267358994 455546225 /nfs/dbraw/zinc/54/62/25/455546225.db2.gz CBVQAUVIVSXXGQ-QHCPKHFHSA-N 1 2 336.388 3.103 20 5 EGBDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267358994 455546226 /nfs/dbraw/zinc/54/62/26/455546226.db2.gz CBVQAUVIVSXXGQ-QHCPKHFHSA-N 1 2 336.388 3.103 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000182621059 455554990 /nfs/dbraw/zinc/55/49/90/455554990.db2.gz JHZVRJXATXVSOS-INIZCTEOSA-N 1 2 340.427 3.177 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000182621059 455554993 /nfs/dbraw/zinc/55/49/93/455554993.db2.gz JHZVRJXATXVSOS-INIZCTEOSA-N 1 2 340.427 3.177 20 5 EGBDLO COc1ccc(C[N@H+]2CCc3c(cccc3OC)C2)cc1[N+](=O)[O-] ZINC000182672595 455565703 /nfs/dbraw/zinc/56/57/03/455565703.db2.gz SWPTYYGNHFIHTJ-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc(C[N@@H+]2CCc3c(cccc3OC)C2)cc1[N+](=O)[O-] ZINC000182672595 455565706 /nfs/dbraw/zinc/56/57/06/455565706.db2.gz SWPTYYGNHFIHTJ-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285169245 455799140 /nfs/dbraw/zinc/79/91/40/455799140.db2.gz AZZFRJMATSFYHZ-OAHLLOKOSA-N 1 2 334.397 3.045 20 5 EGBDLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285169245 455799144 /nfs/dbraw/zinc/79/91/44/455799144.db2.gz AZZFRJMATSFYHZ-OAHLLOKOSA-N 1 2 334.397 3.045 20 5 EGBDLO Cc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301461728 456121482 /nfs/dbraw/zinc/12/14/82/456121482.db2.gz ZSXVFCQVMCXAPV-NWDGAFQWSA-N 1 2 327.812 3.078 20 5 EGBDLO CCC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000301846252 456231110 /nfs/dbraw/zinc/23/11/10/456231110.db2.gz UEUADUXPTWBNAI-INIZCTEOSA-N 1 2 342.399 3.366 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000340191109 456304419 /nfs/dbraw/zinc/30/44/19/456304419.db2.gz HKCYAPTWYLHTEG-STQMWFEESA-N 1 2 336.285 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000340191109 456304425 /nfs/dbraw/zinc/30/44/25/456304425.db2.gz HKCYAPTWYLHTEG-STQMWFEESA-N 1 2 336.285 3.012 20 5 EGBDLO CC(C)CCOCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353503728 456720844 /nfs/dbraw/zinc/72/08/44/456720844.db2.gz PAPXANXBMNOELO-KRWDZBQOSA-N 1 2 346.431 3.070 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000338395875 456794191 /nfs/dbraw/zinc/79/41/91/456794191.db2.gz NZWJGMVJDMZVCN-UHFFFAOYSA-N 1 2 331.719 3.014 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000338687789 456852958 /nfs/dbraw/zinc/85/29/58/456852958.db2.gz LYRRPMBEYFOQOE-UHFFFAOYSA-N 1 2 344.415 3.497 20 5 EGBDLO CC[C@H]1C[N@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000362661353 457032415 /nfs/dbraw/zinc/03/24/15/457032415.db2.gz DFWQVFCAWPRPDD-LBPRGKRZSA-N 1 2 347.337 3.136 20 5 EGBDLO CC[C@H]1C[N@@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000362661353 457032419 /nfs/dbraw/zinc/03/24/19/457032419.db2.gz DFWQVFCAWPRPDD-LBPRGKRZSA-N 1 2 347.337 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1scnc1C1CC1)CCO2 ZINC000356536181 457042727 /nfs/dbraw/zinc/04/27/27/457042727.db2.gz YIZPRNAFWTZOGT-UHFFFAOYSA-N 1 2 331.397 3.323 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1scnc1C1CC1)CCO2 ZINC000356536181 457042732 /nfs/dbraw/zinc/04/27/32/457042732.db2.gz YIZPRNAFWTZOGT-UHFFFAOYSA-N 1 2 331.397 3.323 20 5 EGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000349763778 457043110 /nfs/dbraw/zinc/04/31/10/457043110.db2.gz KEOSYVALMNBDQY-LBPRGKRZSA-N 1 2 332.356 3.084 20 5 EGBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000349763778 457043114 /nfs/dbraw/zinc/04/31/14/457043114.db2.gz KEOSYVALMNBDQY-LBPRGKRZSA-N 1 2 332.356 3.084 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000349902951 457101848 /nfs/dbraw/zinc/10/18/48/457101848.db2.gz LIDFRGGPZIYFMP-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342199745 457163779 /nfs/dbraw/zinc/16/37/79/457163779.db2.gz WNBMNTCEXUFBRJ-UHFFFAOYSA-N 1 2 330.315 3.242 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2nccc(C)c2[N+](=O)[O-])C3)cc1 ZINC000362950735 457171294 /nfs/dbraw/zinc/17/12/94/457171294.db2.gz HHDXVAWELFHAAD-UHFFFAOYSA-N 1 2 349.394 3.355 20 5 EGBDLO Cc1cc(N2CCn3c[nH+]cc3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359968227 457177614 /nfs/dbraw/zinc/17/76/14/457177614.db2.gz OYGRYFRHNDGQLG-UHFFFAOYSA-N 1 2 326.278 3.139 20 5 EGBDLO Cc1c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000359988397 457188839 /nfs/dbraw/zinc/18/88/39/457188839.db2.gz WPWQKJFXMZDIPY-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1ccn2cc[nH+]c2c1 ZINC000354411335 457204608 /nfs/dbraw/zinc/20/46/08/457204608.db2.gz YTAVICBNCXARPC-UHFFFAOYSA-N 1 2 348.160 3.012 20 5 EGBDLO CC(C)CCO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000361275802 457675830 /nfs/dbraw/zinc/67/58/30/457675830.db2.gz YNVKJIKTVWFJJC-CQSZACIVSA-N 1 2 332.404 3.108 20 5 EGBDLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000361275802 457675834 /nfs/dbraw/zinc/67/58/34/457675834.db2.gz YNVKJIKTVWFJJC-CQSZACIVSA-N 1 2 332.404 3.108 20 5 EGBDLO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375641827 458002543 /nfs/dbraw/zinc/00/25/43/458002543.db2.gz LNGSHCBEYVWYFK-UKRRQHHQSA-N 1 2 344.415 3.453 20 5 EGBDLO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375641827 458002550 /nfs/dbraw/zinc/00/25/50/458002550.db2.gz LNGSHCBEYVWYFK-UKRRQHHQSA-N 1 2 344.415 3.453 20 5 EGBDLO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC=CCC1 ZINC000458331727 458016182 /nfs/dbraw/zinc/01/61/82/458016182.db2.gz HACCQEBAMZBXEB-QGZVFWFLSA-N 1 2 326.356 3.009 20 5 EGBDLO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000358492946 458036152 /nfs/dbraw/zinc/03/61/52/458036152.db2.gz BRFIFDHLBFDRFM-OAHLLOKOSA-N 1 2 338.310 3.056 20 5 EGBDLO CC(C)CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000362570480 458275493 /nfs/dbraw/zinc/27/54/93/458275493.db2.gz UWQLIFSUDVAEMZ-UHFFFAOYSA-N 1 2 342.399 3.337 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000429802181 458372936 /nfs/dbraw/zinc/37/29/36/458372936.db2.gz XWCQGXYKNVNQAK-UHFFFAOYSA-N 1 2 325.324 3.368 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000430224563 458423801 /nfs/dbraw/zinc/42/38/01/458423801.db2.gz ZUGMOOQELKWWOY-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO O=C1[C@H]([N@@H+]2CC[C@@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437566013 458467605 /nfs/dbraw/zinc/46/76/05/458467605.db2.gz GYKROUGHTOKQLJ-QZTJIDSGSA-N 1 2 337.379 3.147 20 5 EGBDLO O=C1[C@H]([N@H+]2CC[C@@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437566013 458467608 /nfs/dbraw/zinc/46/76/08/458467608.db2.gz GYKROUGHTOKQLJ-QZTJIDSGSA-N 1 2 337.379 3.147 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000456385772 458657923 /nfs/dbraw/zinc/65/79/23/458657923.db2.gz MLMAJWVQHVOIES-SNVBAGLBSA-N 1 2 334.401 3.024 20 5 EGBDLO CCOC(=O)c1csc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000432783951 458786208 /nfs/dbraw/zinc/78/62/08/458786208.db2.gz MCDHUYGUZCQXJD-SNVBAGLBSA-N 1 2 335.385 3.079 20 5 EGBDLO CO[C@H]1CCCC[C@@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000440558586 458826170 /nfs/dbraw/zinc/82/61/70/458826170.db2.gz PLGOTTKKHBBBFR-HOTGVXAUSA-N 1 2 342.399 3.152 20 5 EGBDLO CC[N@H+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000520967383 459107162 /nfs/dbraw/zinc/10/71/62/459107162.db2.gz WRJJQVNDZGANPK-UHFFFAOYSA-N 1 2 345.374 3.380 20 5 EGBDLO CC[N@@H+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000520967383 459107170 /nfs/dbraw/zinc/10/71/70/459107170.db2.gz WRJJQVNDZGANPK-UHFFFAOYSA-N 1 2 345.374 3.380 20 5 EGBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000521245592 459134463 /nfs/dbraw/zinc/13/44/63/459134463.db2.gz IKKIDDUFHFPGOE-CQSZACIVSA-N 1 2 336.775 3.080 20 5 EGBDLO Cc1noc(C[N@@H+](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000595292005 459267769 /nfs/dbraw/zinc/26/77/69/459267769.db2.gz NWUISBMTOIIVJJ-UHFFFAOYSA-N 1 2 340.177 3.286 20 5 EGBDLO Cc1noc(C[N@H+](C)Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000595292005 459267781 /nfs/dbraw/zinc/26/77/81/459267781.db2.gz NWUISBMTOIIVJJ-UHFFFAOYSA-N 1 2 340.177 3.286 20 5 EGBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1[N+](=O)[O-] ZINC000595413499 459294370 /nfs/dbraw/zinc/29/43/70/459294370.db2.gz SYCFCJXIWXLZDJ-JTQLQIEISA-N 1 2 344.371 3.091 20 5 EGBDLO O=C(c1cc2ccccc2c2cccnc12)N1CC(n2cc[nH+]c2)C1 ZINC000524462382 459364168 /nfs/dbraw/zinc/36/41/68/459364168.db2.gz SYHFALOTPKQWED-UHFFFAOYSA-N 1 2 328.375 3.282 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000527302908 459625252 /nfs/dbraw/zinc/62/52/52/459625252.db2.gz WYQULUSTCZXFLB-YHTSIIMFSA-N 1 2 334.416 3.124 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000527302908 459625256 /nfs/dbraw/zinc/62/52/56/459625256.db2.gz WYQULUSTCZXFLB-YHTSIIMFSA-N 1 2 334.416 3.124 20 5 EGBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000527529652 459656050 /nfs/dbraw/zinc/65/60/50/459656050.db2.gz PTPZOZNRFGHDQG-UHFFFAOYSA-N 1 2 346.408 3.461 20 5 EGBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000527529652 459656055 /nfs/dbraw/zinc/65/60/55/459656055.db2.gz PTPZOZNRFGHDQG-UHFFFAOYSA-N 1 2 346.408 3.461 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](CC)CO1 ZINC000593057653 459759851 /nfs/dbraw/zinc/75/98/51/459759851.db2.gz GTVZPUXNZMOXAJ-ZFWWWQNUSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](CC)CO1 ZINC000593057653 459759856 /nfs/dbraw/zinc/75/98/56/459759856.db2.gz GTVZPUXNZMOXAJ-ZFWWWQNUSA-N 1 2 346.387 3.034 20 5 EGBDLO CCOC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602445840 459941300 /nfs/dbraw/zinc/94/13/00/459941300.db2.gz WQRKLXAJDIOPBM-UHFFFAOYSA-N 1 2 349.250 3.420 20 5 EGBDLO CCn1cc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000602470579 459952585 /nfs/dbraw/zinc/95/25/85/459952585.db2.gz IBNFMMZADQFJGN-UHFFFAOYSA-N 1 2 342.321 3.462 20 5 EGBDLO CCn1cc(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000602470579 459952594 /nfs/dbraw/zinc/95/25/94/459952594.db2.gz IBNFMMZADQFJGN-UHFFFAOYSA-N 1 2 342.321 3.462 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3nc(C4CC4)cs3)nc2c1 ZINC000602573031 460003066 /nfs/dbraw/zinc/00/30/66/460003066.db2.gz WZHJYEBHEPFOFL-UHFFFAOYSA-N 1 2 330.369 3.360 20 5 EGBDLO CC[C@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000597664670 460023187 /nfs/dbraw/zinc/02/31/87/460023187.db2.gz BFCFXBJHXJXVCH-HUUCEWRRSA-N 1 2 349.431 3.040 20 5 EGBDLO CC[C@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[N@H+]1CCO[C@H](CC)C1 ZINC000597664670 460023190 /nfs/dbraw/zinc/02/31/90/460023190.db2.gz BFCFXBJHXJXVCH-HUUCEWRRSA-N 1 2 349.431 3.040 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000619531646 460375742 /nfs/dbraw/zinc/37/57/42/460375742.db2.gz WRSHONCYQOKMAT-IBGZPJMESA-N 1 2 342.395 3.485 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000619531646 460375745 /nfs/dbraw/zinc/37/57/45/460375745.db2.gz WRSHONCYQOKMAT-IBGZPJMESA-N 1 2 342.395 3.485 20 5 EGBDLO Cc1cccn2cc(CCNc3nc4ccccc4cc3[N+](=O)[O-])[nH+]c12 ZINC000616060021 460462323 /nfs/dbraw/zinc/46/23/23/460462323.db2.gz ONRRVRBSEPGVFY-UHFFFAOYSA-N 1 2 347.378 3.176 20 5 EGBDLO O=[N+]([O-])c1ccccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601241046 460763855 /nfs/dbraw/zinc/76/38/55/460763855.db2.gz VTIHOFWUGNSORW-UHFFFAOYSA-N 1 2 330.413 3.155 20 5 EGBDLO Cn1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cn1 ZINC000180826023 518195144 /nfs/dbraw/zinc/19/51/44/518195144.db2.gz LXQRIKIHNWCEGS-SFHVURJKSA-N 1 2 340.358 3.347 20 5 EGBDLO O=C(Nc1ccc(Cl)nc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729173173 574820787 /nfs/dbraw/zinc/82/07/87/574820787.db2.gz LRTZFTZEXBKSFW-UHFFFAOYSA-N 1 2 343.730 3.081 20 5 EGBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000731669698 575196092 /nfs/dbraw/zinc/19/60/92/575196092.db2.gz LGIBUUYLFAUWAX-CYBMUJFWSA-N 1 2 335.404 3.036 20 5 EGBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000731669698 575196094 /nfs/dbraw/zinc/19/60/94/575196094.db2.gz LGIBUUYLFAUWAX-CYBMUJFWSA-N 1 2 335.404 3.036 20 5 EGBDLO Cc1nn(C[N@H+](C)CCOc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000022341152 1291213353 /nfs/dbraw/zinc/21/33/53/1291213353.db2.gz KFVZXKKULKGLGI-UHFFFAOYSA-N 1 2 338.795 3.030 20 5 EGBDLO Cc1nn(C[N@@H+](C)CCOc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000022341152 1291213360 /nfs/dbraw/zinc/21/33/60/1291213360.db2.gz KFVZXKKULKGLGI-UHFFFAOYSA-N 1 2 338.795 3.030 20 5 EGBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835346972 1293270126 /nfs/dbraw/zinc/27/01/26/1293270126.db2.gz UXXGAHBSDWTKAB-UHFFFAOYSA-N 1 2 331.372 3.059 20 5 EGBDLO Cc1ccc(COC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000835479020 1293299171 /nfs/dbraw/zinc/29/91/71/1293299171.db2.gz FOXCWZOLXYYXPV-KRWDZBQOSA-N 1 2 328.368 3.249 20 5 EGBDLO CCO[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129279435 1293619031 /nfs/dbraw/zinc/61/90/31/1293619031.db2.gz BAFLFZLMKYGNNJ-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO CCO[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129279435 1293619034 /nfs/dbraw/zinc/61/90/34/1293619034.db2.gz BAFLFZLMKYGNNJ-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000170922962 1294387793 /nfs/dbraw/zinc/38/77/93/1294387793.db2.gz FHYRBUSMLYUEAQ-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000170922962 1294387798 /nfs/dbraw/zinc/38/77/98/1294387798.db2.gz FHYRBUSMLYUEAQ-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000172886157 1294447423 /nfs/dbraw/zinc/44/74/23/1294447423.db2.gz NWOSCHHUGDQYRU-UHFFFAOYSA-N 1 2 345.374 3.178 20 5 EGBDLO CCC[C@@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000173320379 1294459722 /nfs/dbraw/zinc/45/97/22/1294459722.db2.gz NBBLYMYOJKDFKK-MRXNPFEDSA-N 1 2 333.432 3.411 20 5 EGBDLO CCC[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000173320379 1294459724 /nfs/dbraw/zinc/45/97/24/1294459724.db2.gz NBBLYMYOJKDFKK-MRXNPFEDSA-N 1 2 333.432 3.411 20 5 EGBDLO C[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000759140844 1301024977 /nfs/dbraw/zinc/02/49/77/1301024977.db2.gz WOWDKENTNOZZPZ-IUODEOHRSA-N 1 2 345.428 3.071 20 5 EGBDLO C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1n1cc[nH+]c1 ZINC000759249631 1301049463 /nfs/dbraw/zinc/04/94/63/1301049463.db2.gz YTFHRZIQROIYTR-BXUZGUMPSA-N 1 2 343.412 3.489 20 5 EGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1cccc([N+](=O)[O-])c1 ZINC000766427983 1302450757 /nfs/dbraw/zinc/45/07/57/1302450757.db2.gz FNXWICBELBURHV-UHFFFAOYSA-N 1 2 340.387 3.144 20 5 EGBDLO CC(C)(C)C[N@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769336937 1303095347 /nfs/dbraw/zinc/09/53/47/1303095347.db2.gz DXHQWEXGABNVJS-UHFFFAOYSA-N 1 2 345.237 3.198 20 5 EGBDLO CC(C)(C)C[N@@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769336937 1303095351 /nfs/dbraw/zinc/09/53/51/1303095351.db2.gz DXHQWEXGABNVJS-UHFFFAOYSA-N 1 2 345.237 3.198 20 5 EGBDLO Cc1[nH]c(C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)[nH+]c1C ZINC000886665851 1303544961 /nfs/dbraw/zinc/54/49/61/1303544961.db2.gz IBGNHTALXLGVQY-UHFFFAOYSA-N 1 2 332.379 3.453 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H](C)S1 ZINC000774634274 1303838267 /nfs/dbraw/zinc/83/82/67/1303838267.db2.gz CINPCGFLOZWLQP-AOOOYVTPSA-N 1 2 340.836 3.381 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H](C)S1 ZINC000774634274 1303838271 /nfs/dbraw/zinc/83/82/71/1303838271.db2.gz CINPCGFLOZWLQP-AOOOYVTPSA-N 1 2 340.836 3.381 20 5 EGBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954967 1304372456 /nfs/dbraw/zinc/37/24/56/1304372456.db2.gz GINROAUGUGBOSW-GOSISDBHSA-N 1 2 344.415 3.163 20 5 EGBDLO CC(C)C[C@@H]1COCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954967 1304372460 /nfs/dbraw/zinc/37/24/60/1304372460.db2.gz GINROAUGUGBOSW-GOSISDBHSA-N 1 2 344.415 3.163 20 5 EGBDLO Cc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000789651551 1306194315 /nfs/dbraw/zinc/19/43/15/1306194315.db2.gz FHUFQGJZGUAKCZ-UHFFFAOYSA-N 1 2 341.298 3.447 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCNc2cccc[nH+]2)c1C ZINC000896180874 1309733977 /nfs/dbraw/zinc/73/39/77/1309733977.db2.gz FSOHJKNQDWOLKG-UHFFFAOYSA-N 1 2 342.399 3.229 20 5 EGBDLO CSC1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CC1 ZINC000896778110 1310009945 /nfs/dbraw/zinc/00/99/45/1310009945.db2.gz LTMJFFDUCYHQTB-UHFFFAOYSA-N 1 2 343.368 3.183 20 5 EGBDLO CC(=O)OC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809966368 1317926323 /nfs/dbraw/zinc/92/63/23/1317926323.db2.gz YYVHAILYZREBEQ-UHFFFAOYSA-N 1 2 347.198 3.429 20 5 EGBDLO CCc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]n1 ZINC000811479766 1318182556 /nfs/dbraw/zinc/18/25/56/1318182556.db2.gz LDLXXKQEIWVAJH-UHFFFAOYSA-N 1 2 329.187 3.477 20 5 EGBDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)nn1 ZINC000817420559 1319356704 /nfs/dbraw/zinc/35/67/04/1319356704.db2.gz VNVSNTFNMKRIGV-UHFFFAOYSA-N 1 2 337.811 3.446 20 5 EGBDLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820892 1320289196 /nfs/dbraw/zinc/28/91/96/1320289196.db2.gz PNJRVVAAUFICRV-CYBMUJFWSA-N 1 2 334.807 3.361 20 5 EGBDLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820892 1320289200 /nfs/dbraw/zinc/28/92/00/1320289200.db2.gz PNJRVVAAUFICRV-CYBMUJFWSA-N 1 2 334.807 3.361 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1Cl ZINC000859222236 1328950121 /nfs/dbraw/zinc/95/01/21/1328950121.db2.gz SFOAAGUKDFVMIJ-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO O=[N+]([O-])c1cc(O)cc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001199818902 1369276720 /nfs/dbraw/zinc/27/67/20/1369276720.db2.gz GMZPLTCGHYMFSA-UHFFFAOYSA-N 1 2 349.144 3.454 20 5 EGBDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc([N+](=O)[O-])c1 ZINC001204450485 1370480104 /nfs/dbraw/zinc/48/01/04/1370480104.db2.gz PQBJZGSMDRRQAU-UHFFFAOYSA-N 1 2 339.355 3.490 20 5 EGBDLO CCN(C)c1ccc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c[nH+]1 ZINC001211292300 1372522386 /nfs/dbraw/zinc/52/23/86/1372522386.db2.gz VHACJBUQKNLXLX-UHFFFAOYSA-N 1 2 331.332 3.406 20 5 EGBDLO CCOC(=O)c1cc(Nc2cccc3[nH+]c(C)cn32)cc([N+](=O)[O-])c1 ZINC001211364552 1372540465 /nfs/dbraw/zinc/54/04/65/1372540465.db2.gz LLBXDGPFEWLGDN-UHFFFAOYSA-N 1 2 340.339 3.471 20 5 EGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(-n2c(C)[nH+]c3ccc(N)cc32)c1 ZINC001211370890 1372542664 /nfs/dbraw/zinc/54/26/64/1372542664.db2.gz DMEMZFCHYMRBJW-UHFFFAOYSA-N 1 2 340.339 3.001 20 5 EGBDLO O=[N+]([O-])c1cc(F)cc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001216483721 1373310356 /nfs/dbraw/zinc/31/03/56/1373310356.db2.gz JBUDFAZKDMNXGO-UHFFFAOYSA-N 1 2 331.347 3.310 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCOC[C@H]2C(C)C)c1F ZINC001173197648 1384934902 /nfs/dbraw/zinc/93/49/02/1384934902.db2.gz WCHHDFDAIBAMJE-WFASDCNBSA-N 1 2 340.395 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCOC[C@H]2C(C)C)c1F ZINC001173197648 1384934906 /nfs/dbraw/zinc/93/49/06/1384934906.db2.gz WCHHDFDAIBAMJE-WFASDCNBSA-N 1 2 340.395 3.030 20 5 EGBDLO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1CCc2[nH+]ccn2C1 ZINC001178118639 1386134565 /nfs/dbraw/zinc/13/45/65/1386134565.db2.gz WXKIBYQPYIRJSK-AWEZNQCLSA-N 1 2 343.390 3.181 20 5 EGBDLO CCc1noc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174246727 231158745 /nfs/dbraw/zinc/15/87/45/231158745.db2.gz KXXWRVJFKDFMOU-GFCCVEGCSA-N 1 2 346.387 3.145 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1C1CCC1 ZINC000102877153 219237631 /nfs/dbraw/zinc/23/76/31/219237631.db2.gz GMPYPJCNEIRODI-HNNXBMFYSA-N 1 2 340.383 3.185 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000072630200 216284083 /nfs/dbraw/zinc/28/40/83/216284083.db2.gz QQULMNCPBZDWJJ-ZDUSSCGKSA-N 1 2 343.383 3.240 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000072630200 216284084 /nfs/dbraw/zinc/28/40/84/216284084.db2.gz QQULMNCPBZDWJJ-ZDUSSCGKSA-N 1 2 343.383 3.240 20 5 EGBDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000072663197 216289618 /nfs/dbraw/zinc/28/96/18/216289618.db2.gz XDJBSXAPOKXGKZ-UHFFFAOYSA-N 1 2 348.428 3.132 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccsc2C1 ZINC000132609680 223347584 /nfs/dbraw/zinc/34/75/84/223347584.db2.gz HOPVNZQTTBEWSE-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccsc2C1 ZINC000132609680 223347587 /nfs/dbraw/zinc/34/75/87/223347587.db2.gz HOPVNZQTTBEWSE-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)CC1 ZINC000021848150 212255896 /nfs/dbraw/zinc/25/58/96/212255896.db2.gz RQTDHWLOSBQHGZ-NSHDSACASA-N 1 2 325.796 3.307 20 5 EGBDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000353198809 284386692 /nfs/dbraw/zinc/38/66/92/284386692.db2.gz IICMSCXYLZXZKF-HNNXBMFYSA-N 1 2 333.432 3.380 20 5 EGBDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000353198809 284386695 /nfs/dbraw/zinc/38/66/95/284386695.db2.gz IICMSCXYLZXZKF-HNNXBMFYSA-N 1 2 333.432 3.380 20 5 EGBDLO CC[N@H+](Cc1ccccn1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093338782 218215579 /nfs/dbraw/zinc/21/55/79/218215579.db2.gz GTXHMOSJCZDCCD-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO CC[N@@H+](Cc1ccccn1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093338782 218215581 /nfs/dbraw/zinc/21/55/81/218215581.db2.gz GTXHMOSJCZDCCD-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO Cc1nn(C)c(Cl)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153333233 224089335 /nfs/dbraw/zinc/08/93/35/224089335.db2.gz GPEXREYPSKRNQD-UHFFFAOYSA-N 1 2 334.807 3.455 20 5 EGBDLO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153333233 224089338 /nfs/dbraw/zinc/08/93/38/224089338.db2.gz GPEXREYPSKRNQD-UHFFFAOYSA-N 1 2 334.807 3.455 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1 ZINC000173367782 144040450 /nfs/dbraw/zinc/04/04/50/144040450.db2.gz HOHIDMAQSHPYMU-NEPJUHHUSA-N 1 2 339.355 3.452 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000347011561 156247328 /nfs/dbraw/zinc/24/73/28/156247328.db2.gz RHAKLDRGXHXONL-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000347011561 156247330 /nfs/dbraw/zinc/24/73/30/156247330.db2.gz RHAKLDRGXHXONL-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO CCCn1nc(C)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000093338235 162004073 /nfs/dbraw/zinc/00/40/73/162004073.db2.gz IPSFJGKBNOYNBQ-UHFFFAOYSA-N 1 2 328.416 3.376 20 5 EGBDLO CCCn1nc(C)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000093338235 162004074 /nfs/dbraw/zinc/00/40/74/162004074.db2.gz IPSFJGKBNOYNBQ-UHFFFAOYSA-N 1 2 328.416 3.376 20 5 EGBDLO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccn1 ZINC000125378014 162271201 /nfs/dbraw/zinc/27/12/01/162271201.db2.gz WIWAULUYBQZCNM-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccn1 ZINC000125378014 162271203 /nfs/dbraw/zinc/27/12/03/162271203.db2.gz WIWAULUYBQZCNM-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000125641140 162281981 /nfs/dbraw/zinc/28/19/81/162281981.db2.gz UCNQJWKEAMCWSG-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000125641140 162281982 /nfs/dbraw/zinc/28/19/82/162281982.db2.gz UCNQJWKEAMCWSG-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000126147528 162295654 /nfs/dbraw/zinc/29/56/54/162295654.db2.gz VWOLPULDCVNLNP-IUODEOHRSA-N 1 2 329.404 3.495 20 5 EGBDLO CCc1[nH+]c2cc(CNc3c([N+](=O)[O-])ncn3C)ccc2n1C1CC1 ZINC000338491661 163244404 /nfs/dbraw/zinc/24/44/04/163244404.db2.gz YZBVIJMLHHZPCB-UHFFFAOYSA-N 1 2 340.387 3.187 20 5 EGBDLO COc1cc(NCCc2[nH]c3ccccc3[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000338641155 163302121 /nfs/dbraw/zinc/30/21/21/163302121.db2.gz YNSGDGCJRCYNGU-UHFFFAOYSA-N 1 2 330.319 3.273 20 5 EGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000265131570 287155495 /nfs/dbraw/zinc/15/54/95/287155495.db2.gz NGJNNLOQVBSDTB-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000355520684 166230253 /nfs/dbraw/zinc/23/02/53/166230253.db2.gz XWCNGHRLVYARPN-UHFFFAOYSA-N 1 2 342.342 3.199 20 5 EGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000355520684 166230256 /nfs/dbraw/zinc/23/02/56/166230256.db2.gz XWCNGHRLVYARPN-UHFFFAOYSA-N 1 2 342.342 3.199 20 5 EGBDLO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000356078440 166393191 /nfs/dbraw/zinc/39/31/91/166393191.db2.gz APSXXSVLRTYJOI-UHFFFAOYSA-N 1 2 340.383 3.120 20 5 EGBDLO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000356078440 166393193 /nfs/dbraw/zinc/39/31/93/166393193.db2.gz APSXXSVLRTYJOI-UHFFFAOYSA-N 1 2 340.383 3.120 20 5 EGBDLO O=C(Nc1cc(C2CC2)ccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000359661808 167204683 /nfs/dbraw/zinc/20/46/83/167204683.db2.gz BKGDJKNIJUORCN-UHFFFAOYSA-N 1 2 349.350 3.305 20 5 EGBDLO COc1cc(CNc2c[nH+]c3c(c2)CCCC3)c([N+](=O)[O-])cc1O ZINC000359823286 167241416 /nfs/dbraw/zinc/24/14/16/167241416.db2.gz TXFZPDMNCVITTF-UHFFFAOYSA-N 1 2 329.356 3.195 20 5 EGBDLO CCn1c2ccccc2[nH+]c1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000360656740 167380648 /nfs/dbraw/zinc/38/06/48/167380648.db2.gz KBJLUNVEOLGJMM-UHFFFAOYSA-N 1 2 325.372 3.322 20 5 EGBDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775014 265340341 /nfs/dbraw/zinc/34/03/41/265340341.db2.gz IWDWSPIUIWDMBT-SOUVJXGZSA-N 1 2 333.432 3.205 20 5 EGBDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775014 265340342 /nfs/dbraw/zinc/34/03/42/265340342.db2.gz IWDWSPIUIWDMBT-SOUVJXGZSA-N 1 2 333.432 3.205 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000193312853 266021987 /nfs/dbraw/zinc/02/19/87/266021987.db2.gz OWZTZGSAMYFMHR-UHFFFAOYSA-N 1 2 343.387 3.158 20 5 EGBDLO COc1cccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000194050582 266086548 /nfs/dbraw/zinc/08/65/48/266086548.db2.gz RATIHZYXMVDYOO-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000277691389 267845595 /nfs/dbraw/zinc/84/55/95/267845595.db2.gz XIGUIKRRGOZBAH-UHFFFAOYSA-N 1 2 348.378 3.045 20 5 EGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(O)c1 ZINC000181499077 275207392 /nfs/dbraw/zinc/20/73/92/275207392.db2.gz HQQGVQHWXSDKNG-NSHDSACASA-N 1 2 340.339 3.201 20 5 EGBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287220464 276097964 /nfs/dbraw/zinc/09/79/64/276097964.db2.gz IURCGECGPOBKMD-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO COc1cc(COc2cc[nH+]cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000292331474 276771607 /nfs/dbraw/zinc/77/16/07/276771607.db2.gz CGTIRLDVUCRHCC-UHFFFAOYSA-N 1 2 340.282 3.221 20 5 EGBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000339067975 280190793 /nfs/dbraw/zinc/19/07/93/280190793.db2.gz IRAFPKVLXJFWTH-OAHLLOKOSA-N 1 2 344.367 3.313 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127067840 281018238 /nfs/dbraw/zinc/01/82/38/281018238.db2.gz XPYDEWODYZBJFE-XJKSGUPXSA-N 1 2 343.387 3.215 20 5 EGBDLO CCc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000174152172 288530653 /nfs/dbraw/zinc/53/06/53/288530653.db2.gz JHSSXWVWCXKJQB-CQSZACIVSA-N 1 2 328.372 3.248 20 5 EGBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccn(C)n1 ZINC000414142370 309063103 /nfs/dbraw/zinc/06/31/03/309063103.db2.gz KLNSPJAACLTDMB-VIFPVBQESA-N 1 2 328.294 3.198 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000414345987 309074367 /nfs/dbraw/zinc/07/43/67/309074367.db2.gz LTOCGEOQSGWIHL-INMHGKMJSA-N 1 2 338.367 3.156 20 5 EGBDLO C[N@H+](Cc1cnn(CC(F)F)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000294886703 308268077 /nfs/dbraw/zinc/26/80/77/308268077.db2.gz LHXRERPPWQRIIF-UHFFFAOYSA-N 1 2 344.749 3.342 20 5 EGBDLO C[N@@H+](Cc1cnn(CC(F)F)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000294886703 308268078 /nfs/dbraw/zinc/26/80/78/308268078.db2.gz LHXRERPPWQRIIF-UHFFFAOYSA-N 1 2 344.749 3.342 20 5 EGBDLO Cc1cc(N(C)Cc2ccccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301130928 308689253 /nfs/dbraw/zinc/68/92/53/308689253.db2.gz YHSARFHMCXZVMW-UHFFFAOYSA-N 1 2 335.367 3.392 20 5 EGBDLO Cc1cnc(NCCCc2[nH+]c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000301527608 308703815 /nfs/dbraw/zinc/70/38/15/308703815.db2.gz JRRNMGTYGKKNEM-UHFFFAOYSA-N 1 2 325.372 3.230 20 5 EGBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000411768672 308951978 /nfs/dbraw/zinc/95/19/78/308951978.db2.gz FJMLUERQAVBPKY-ARFHVFGLSA-N 1 2 340.383 3.175 20 5 EGBDLO CN(C)C(=O)[C@H]1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413146443 309018160 /nfs/dbraw/zinc/01/81/60/309018160.db2.gz TZUWNSKVTXYVRO-UONOGXRCSA-N 1 2 342.399 3.202 20 5 EGBDLO C[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000413201704 309021116 /nfs/dbraw/zinc/02/11/16/309021116.db2.gz WDHFNJLDTXXWJZ-CXAGYDPISA-N 1 2 337.383 3.427 20 5 EGBDLO Cc1cccc(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)[nH+]1 ZINC000413269065 309024343 /nfs/dbraw/zinc/02/43/43/309024343.db2.gz OMYPRATVNRWODD-UHFFFAOYSA-N 1 2 326.278 3.367 20 5 EGBDLO C[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000432315262 309657037 /nfs/dbraw/zinc/65/70/37/309657037.db2.gz QOOJYMCZBUQJLQ-CXAGYDPISA-N 1 2 337.383 3.427 20 5 EGBDLO CC[C@H](C)[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000449403472 310059361 /nfs/dbraw/zinc/05/93/61/310059361.db2.gz QAUUAQFCQFBLEE-RRQGHBQHSA-N 1 2 346.431 3.068 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CCO2 ZINC000449526395 310069151 /nfs/dbraw/zinc/06/91/51/310069151.db2.gz VYNJAUCXAOKBAR-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CCO2 ZINC000449526395 310069152 /nfs/dbraw/zinc/06/91/52/310069152.db2.gz VYNJAUCXAOKBAR-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO CO[C@H]([C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000450862366 310146385 /nfs/dbraw/zinc/14/63/85/310146385.db2.gz QSUASKUVSQPKEH-SJKOYZFVSA-N 1 2 342.399 3.008 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CCO2 ZINC000451644026 310190788 /nfs/dbraw/zinc/19/07/88/310190788.db2.gz RJAGIWMGXQVAPA-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CCO2 ZINC000451644026 310190789 /nfs/dbraw/zinc/19/07/89/310190789.db2.gz RJAGIWMGXQVAPA-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000455357458 310357300 /nfs/dbraw/zinc/35/73/00/310357300.db2.gz KKJQHQMSDVCUJO-UHFFFAOYSA-N 1 2 344.371 3.327 20 5 EGBDLO COc1ccccc1N1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000505468086 312023244 /nfs/dbraw/zinc/02/32/44/312023244.db2.gz RPLIRPJXZNTMIR-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000510133149 312133872 /nfs/dbraw/zinc/13/38/72/312133872.db2.gz IIYMGROFYIXWRU-TXEJJXNPSA-N 1 2 346.362 3.486 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000549051755 315072318 /nfs/dbraw/zinc/07/23/18/315072318.db2.gz YWLKNQJKEWWHGI-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000549718051 315102021 /nfs/dbraw/zinc/10/20/21/315102021.db2.gz STESWVDKNOITHY-IBGZPJMESA-N 1 2 340.379 3.270 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000549718051 315102024 /nfs/dbraw/zinc/10/20/24/315102024.db2.gz STESWVDKNOITHY-IBGZPJMESA-N 1 2 340.379 3.270 20 5 EGBDLO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555119714 315367378 /nfs/dbraw/zinc/36/73/78/315367378.db2.gz HLIIJFUHHJWZLV-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000572413575 317335324 /nfs/dbraw/zinc/33/53/24/317335324.db2.gz JUFZCHQPQOCRIU-NSHDSACASA-N 1 2 348.321 3.181 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000572413575 317335325 /nfs/dbraw/zinc/33/53/25/317335325.db2.gz JUFZCHQPQOCRIU-NSHDSACASA-N 1 2 348.321 3.181 20 5 EGBDLO COc1cc2c(cc1OC)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000171613768 323242829 /nfs/dbraw/zinc/24/28/29/323242829.db2.gz MNYPJRQHFGHATK-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc2c(cc1OC)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000171613768 323242834 /nfs/dbraw/zinc/24/28/34/323242834.db2.gz MNYPJRQHFGHATK-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421178743 324311982 /nfs/dbraw/zinc/31/19/82/324311982.db2.gz CHWCGGFJRGTLDB-UHFFFAOYSA-N 1 2 346.358 3.145 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000010341472 453287494 /nfs/dbraw/zinc/28/74/94/453287494.db2.gz HALQCSKVBMRGEU-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000010341472 453287499 /nfs/dbraw/zinc/28/74/99/453287499.db2.gz HALQCSKVBMRGEU-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000053376401 453875059 /nfs/dbraw/zinc/87/50/59/453875059.db2.gz ZPZMZQKRQJVQEV-UHFFFAOYSA-N 1 2 325.796 3.309 20 5 EGBDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834328 454089774 /nfs/dbraw/zinc/08/97/74/454089774.db2.gz MRAUIOPLJGVSKZ-SECBINFHSA-N 1 2 325.166 3.054 20 5 EGBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000069302885 454093196 /nfs/dbraw/zinc/09/31/96/454093196.db2.gz JSKRUATWVYTXAA-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000069302885 454093199 /nfs/dbraw/zinc/09/31/99/454093199.db2.gz JSKRUATWVYTXAA-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO CCO[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000057828560 454150652 /nfs/dbraw/zinc/15/06/52/454150652.db2.gz HFOUIORAWJPUGL-MRXNPFEDSA-N 1 2 342.399 3.366 20 5 EGBDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119601717 454207429 /nfs/dbraw/zinc/20/74/29/454207429.db2.gz SWBPSWQQJSKHRR-UHFFFAOYSA-N 1 2 341.839 3.279 20 5 EGBDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130954136 454228204 /nfs/dbraw/zinc/22/82/04/454228204.db2.gz NLDZDFWITPRIBX-GJZGRUSLSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130954136 454228208 /nfs/dbraw/zinc/22/82/08/454228208.db2.gz NLDZDFWITPRIBX-GJZGRUSLSA-N 1 2 345.443 3.064 20 5 EGBDLO Cc1cnc(NCc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078631465 454290132 /nfs/dbraw/zinc/29/01/32/454290132.db2.gz YFQCQGHMBHRVSZ-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047248362 454345762 /nfs/dbraw/zinc/34/57/62/454345762.db2.gz VLFQNGQDPDAPOF-UHFFFAOYSA-N 1 2 336.351 3.400 20 5 EGBDLO Cc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(C)[nH+]1 ZINC000121553454 454450780 /nfs/dbraw/zinc/45/07/80/454450780.db2.gz PKEWRQLANBQPAH-UHFFFAOYSA-N 1 2 337.339 3.045 20 5 EGBDLO Cc1cc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074763583 454631340 /nfs/dbraw/zinc/63/13/40/454631340.db2.gz KVFOPNLUXNFUQJ-CQSZACIVSA-N 1 2 336.342 3.291 20 5 EGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccc(F)c1 ZINC000135225520 454648603 /nfs/dbraw/zinc/64/86/03/454648603.db2.gz PJONJWPSIQLXJR-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cccc(F)c1 ZINC000135225520 454648606 /nfs/dbraw/zinc/64/86/06/454648606.db2.gz PJONJWPSIQLXJR-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO COc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000161820936 454727017 /nfs/dbraw/zinc/72/70/17/454727017.db2.gz WRCSUJQRTDRPNO-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093888791 454744004 /nfs/dbraw/zinc/74/40/04/454744004.db2.gz RGEWGAVCSSYEBO-YYUOZPCZSA-N 1 2 348.424 3.231 20 5 EGBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093888791 454744007 /nfs/dbraw/zinc/74/40/07/454744007.db2.gz RGEWGAVCSSYEBO-YYUOZPCZSA-N 1 2 348.424 3.231 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000126317514 454885184 /nfs/dbraw/zinc/88/51/84/454885184.db2.gz QIQZXERIMMUJHF-LJQANCHMSA-N 1 2 342.395 3.485 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000126317514 454885186 /nfs/dbraw/zinc/88/51/86/454885186.db2.gz QIQZXERIMMUJHF-LJQANCHMSA-N 1 2 342.395 3.485 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157533545 455205155 /nfs/dbraw/zinc/20/51/55/455205155.db2.gz WDBMGZUIXDVUEQ-ZDUSSCGKSA-N 1 2 329.404 3.072 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181558607 455355168 /nfs/dbraw/zinc/35/51/68/455355168.db2.gz QCZYUTJPISUJEL-KRWDZBQOSA-N 1 2 342.395 3.047 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181558607 455355172 /nfs/dbraw/zinc/35/51/72/455355172.db2.gz QCZYUTJPISUJEL-KRWDZBQOSA-N 1 2 342.395 3.047 20 5 EGBDLO Cc1cc(NCCOCC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000190910860 455402972 /nfs/dbraw/zinc/40/29/72/455402972.db2.gz WLOROXAEUCEUDH-UHFFFAOYSA-N 1 2 338.314 3.054 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CCO)c3ccco3)co2)cc1 ZINC000185066274 455494701 /nfs/dbraw/zinc/49/47/01/455494701.db2.gz WHILPSBVCQBOMD-OAHLLOKOSA-N 1 2 343.339 3.056 20 5 EGBDLO COc1cccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000185586570 455582110 /nfs/dbraw/zinc/58/21/10/455582110.db2.gz OFQOCZZOXWNABH-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638404 455658901 /nfs/dbraw/zinc/65/89/01/455658901.db2.gz UWFSEHLOSORJJL-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638404 455658905 /nfs/dbraw/zinc/65/89/05/455658905.db2.gz UWFSEHLOSORJJL-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268364262 455662453 /nfs/dbraw/zinc/66/24/53/455662453.db2.gz IGUUVXMGCGVMLF-SMDDNHRTSA-N 1 2 348.790 3.168 20 5 EGBDLO COc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1F ZINC000192943530 455723102 /nfs/dbraw/zinc/72/31/02/455723102.db2.gz JVRUHSRRVSDBKH-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250115283 455784756 /nfs/dbraw/zinc/78/47/56/455784756.db2.gz PDEKHXVQNZXYEN-NWDGAFQWSA-N 1 2 346.387 3.205 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000250115283 455784764 /nfs/dbraw/zinc/78/47/64/455784764.db2.gz PDEKHXVQNZXYEN-NWDGAFQWSA-N 1 2 346.387 3.205 20 5 EGBDLO C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000285579786 455874922 /nfs/dbraw/zinc/87/49/22/455874922.db2.gz KEELKQUAHXQGBT-BZNIZROVSA-N 1 2 336.342 3.153 20 5 EGBDLO CC(=O)c1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000301556031 456146006 /nfs/dbraw/zinc/14/60/06/456146006.db2.gz SFQLDVPJQURJMC-UHFFFAOYSA-N 1 2 342.330 3.467 20 5 EGBDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000301642682 456172200 /nfs/dbraw/zinc/17/22/00/456172200.db2.gz MRUYKDJYHBWROF-MRXNPFEDSA-N 1 2 341.346 3.372 20 5 EGBDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000297350581 456195806 /nfs/dbraw/zinc/19/58/06/456195806.db2.gz YDBSUNZUUSLEQY-UHFFFAOYSA-N 1 2 330.388 3.039 20 5 EGBDLO Cc1cc(N(C)CC2(O)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301812041 456221603 /nfs/dbraw/zinc/22/16/03/456221603.db2.gz DZNNUTVJZPNAGZ-UHFFFAOYSA-N 1 2 342.399 3.102 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000342867476 456283764 /nfs/dbraw/zinc/28/37/64/456283764.db2.gz BVJWYOHZTQFREU-VXGBXAGGSA-N 1 2 331.338 3.224 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000342867476 456283770 /nfs/dbraw/zinc/28/37/70/456283770.db2.gz BVJWYOHZTQFREU-VXGBXAGGSA-N 1 2 331.338 3.224 20 5 EGBDLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298047165 456351839 /nfs/dbraw/zinc/35/18/39/456351839.db2.gz IBMKMAMNCDCMGK-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCCCC2)nc[nH+]1 ZINC000343253730 456485615 /nfs/dbraw/zinc/48/56/15/456485615.db2.gz UNCNZRKVHYXVIG-UHFFFAOYSA-N 1 2 341.415 3.054 20 5 EGBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCCCC2)[nH+]cn1 ZINC000343253730 456485622 /nfs/dbraw/zinc/48/56/22/456485622.db2.gz UNCNZRKVHYXVIG-UHFFFAOYSA-N 1 2 341.415 3.054 20 5 EGBDLO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccncc1 ZINC000348075145 456458635 /nfs/dbraw/zinc/45/86/35/456458635.db2.gz NDQMNRHNCOFDOM-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccncc1 ZINC000348075145 456458643 /nfs/dbraw/zinc/45/86/43/456458643.db2.gz NDQMNRHNCOFDOM-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccncc1 ZINC000348081229 456463323 /nfs/dbraw/zinc/46/33/23/456463323.db2.gz XKPJQPDRIMINPS-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccncc1 ZINC000348081229 456463328 /nfs/dbraw/zinc/46/33/28/456463328.db2.gz XKPJQPDRIMINPS-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000298627181 456503425 /nfs/dbraw/zinc/50/34/25/456503425.db2.gz GDWSBNBCNPNBRO-MNOVXSKESA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000298627181 456503432 /nfs/dbraw/zinc/50/34/32/456503432.db2.gz GDWSBNBCNPNBRO-MNOVXSKESA-N 1 2 345.321 3.196 20 5 EGBDLO COCC[N@H+](Cc1cccnc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277013925 456652927 /nfs/dbraw/zinc/65/29/27/456652927.db2.gz CDNWRGPHJPPQCC-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1cccnc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277013925 456652934 /nfs/dbraw/zinc/65/29/34/456652934.db2.gz CDNWRGPHJPPQCC-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000353433953 456696395 /nfs/dbraw/zinc/69/63/95/456696395.db2.gz HQGKBGCZVYWCGX-KRWDZBQOSA-N 1 2 340.358 3.347 20 5 EGBDLO CC(C)([NH2+]Cc1nccn1CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000291733770 456737330 /nfs/dbraw/zinc/73/73/30/456737330.db2.gz NZZIFKYHIHZIRL-UHFFFAOYSA-N 1 2 342.321 3.379 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000348933722 456889175 /nfs/dbraw/zinc/88/91/75/456889175.db2.gz KWGDYHPKIKTKBX-HNNXBMFYSA-N 1 2 343.383 3.344 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000348933722 456889179 /nfs/dbraw/zinc/88/91/79/456889179.db2.gz KWGDYHPKIKTKBX-HNNXBMFYSA-N 1 2 343.383 3.344 20 5 EGBDLO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000339133008 456955894 /nfs/dbraw/zinc/95/58/94/456955894.db2.gz LRZLWMDSOHWZDG-HNNXBMFYSA-N 1 2 336.775 3.431 20 5 EGBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339203578 456989659 /nfs/dbraw/zinc/98/96/59/456989659.db2.gz JGZXNYYRBYGDRM-UHFFFAOYSA-N 1 2 328.368 3.474 20 5 EGBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000339203578 456989660 /nfs/dbraw/zinc/98/96/60/456989660.db2.gz JGZXNYYRBYGDRM-UHFFFAOYSA-N 1 2 328.368 3.474 20 5 EGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000339215337 456995585 /nfs/dbraw/zinc/99/55/85/456995585.db2.gz UYZKPVHMBVWESD-QFYYESIMSA-N 1 2 334.397 3.154 20 5 EGBDLO Cc1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330735968 457078912 /nfs/dbraw/zinc/07/89/12/457078912.db2.gz MPTFRXYMZCAQDC-UHFFFAOYSA-N 1 2 347.459 3.372 20 5 EGBDLO Cc1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330735968 457078920 /nfs/dbraw/zinc/07/89/20/457078920.db2.gz MPTFRXYMZCAQDC-UHFFFAOYSA-N 1 2 347.459 3.372 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000356742840 457145362 /nfs/dbraw/zinc/14/53/62/457145362.db2.gz UJQVUHFRCITBLD-UHFFFAOYSA-N 1 2 341.198 3.414 20 5 EGBDLO Cc1cnc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000356996029 457265561 /nfs/dbraw/zinc/26/55/61/457265561.db2.gz HBLRVHFCMRJRAM-ZDUSSCGKSA-N 1 2 331.372 3.496 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000351956914 457324788 /nfs/dbraw/zinc/32/47/88/457324788.db2.gz DIHFLSKODGQGJW-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000351956914 457324791 /nfs/dbraw/zinc/32/47/91/457324791.db2.gz DIHFLSKODGQGJW-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1cc[nH+]cc1C ZINC000342783172 457523850 /nfs/dbraw/zinc/52/38/50/457523850.db2.gz QWKAMRBHDVYIRS-UHFFFAOYSA-N 1 2 329.356 3.048 20 5 EGBDLO O=C(CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000352710882 457549580 /nfs/dbraw/zinc/54/95/80/457549580.db2.gz UNYJOFVJQQZUHH-UHFFFAOYSA-N 1 2 344.342 3.201 20 5 EGBDLO O=C(CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000352710882 457549588 /nfs/dbraw/zinc/54/95/88/457549588.db2.gz UNYJOFVJQQZUHH-UHFFFAOYSA-N 1 2 344.342 3.201 20 5 EGBDLO COCC1=CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425432758 457550978 /nfs/dbraw/zinc/55/09/78/457550978.db2.gz LJYDMGCFUVVEIK-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO COCC1=CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425432758 457550984 /nfs/dbraw/zinc/55/09/84/457550984.db2.gz LJYDMGCFUVVEIK-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425438095 457553916 /nfs/dbraw/zinc/55/39/16/457553916.db2.gz AAXZSMHIJOWNJX-GXFFZTMASA-N 1 2 343.221 3.357 20 5 EGBDLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425438095 457553918 /nfs/dbraw/zinc/55/39/18/457553918.db2.gz AAXZSMHIJOWNJX-GXFFZTMASA-N 1 2 343.221 3.357 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1F ZINC000374498708 457641964 /nfs/dbraw/zinc/64/19/64/457641964.db2.gz YPLNWDCWRKUWOH-GFCCVEGCSA-N 1 2 333.348 3.125 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361844753 457903535 /nfs/dbraw/zinc/90/35/35/457903535.db2.gz XLPUPPCDKYEPAI-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361844753 457903539 /nfs/dbraw/zinc/90/35/39/457903539.db2.gz XLPUPPCDKYEPAI-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444695484 457944454 /nfs/dbraw/zinc/94/44/54/457944454.db2.gz SNEBNRFTXFAQLJ-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444695484 457944459 /nfs/dbraw/zinc/94/44/59/457944459.db2.gz SNEBNRFTXFAQLJ-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000411931639 458012886 /nfs/dbraw/zinc/01/28/86/458012886.db2.gz AZAGYTROPVGBGY-UHFFFAOYSA-N 1 2 326.352 3.192 20 5 EGBDLO CC(=O)c1ccc2c(c1)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000411931639 458012892 /nfs/dbraw/zinc/01/28/92/458012892.db2.gz AZAGYTROPVGBGY-UHFFFAOYSA-N 1 2 326.352 3.192 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000445811233 458093617 /nfs/dbraw/zinc/09/36/17/458093617.db2.gz PFKUFDOHBVYQRE-UHFFFAOYSA-N 1 2 348.406 3.398 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369397430 458202026 /nfs/dbraw/zinc/20/20/26/458202026.db2.gz GTTXZNNNJPZBQN-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369397430 458202034 /nfs/dbraw/zinc/20/20/34/458202034.db2.gz GTTXZNNNJPZBQN-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369548769 458261479 /nfs/dbraw/zinc/26/14/79/458261479.db2.gz GTLBDPQCCIXODS-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369548769 458261483 /nfs/dbraw/zinc/26/14/83/458261483.db2.gz GTLBDPQCCIXODS-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO COc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429183580 458289270 /nfs/dbraw/zinc/28/92/70/458289270.db2.gz FYOHJYJZTVUJAX-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429183580 458289272 /nfs/dbraw/zinc/28/92/72/458289272.db2.gz FYOHJYJZTVUJAX-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO CCOC(=O)c1coc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000430125212 458405301 /nfs/dbraw/zinc/40/53/01/458405301.db2.gz BZJIKTSOTYTJML-UHFFFAOYSA-N 1 2 332.356 3.389 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CCOC(C)C)CC1 ZINC000470176437 458621444 /nfs/dbraw/zinc/62/14/44/458621444.db2.gz KXFOTTNUAZUZMP-LGMDPLHJSA-N 1 2 347.459 3.041 20 5 EGBDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000546735695 458669899 /nfs/dbraw/zinc/66/98/99/458669899.db2.gz NJMLENUCIHZHHZ-INIZCTEOSA-N 1 2 336.432 3.344 20 5 EGBDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000546735695 458669901 /nfs/dbraw/zinc/66/99/01/458669901.db2.gz NJMLENUCIHZHHZ-INIZCTEOSA-N 1 2 336.432 3.344 20 5 EGBDLO CC(C)[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000432329743 458716564 /nfs/dbraw/zinc/71/65/64/458716564.db2.gz SVSTVDCRKVRQTB-AWEZNQCLSA-N 1 2 327.812 3.017 20 5 EGBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@H]2O1 ZINC000440961198 458871348 /nfs/dbraw/zinc/87/13/48/458871348.db2.gz SLAHOXCUCHTOJD-HUUCEWRRSA-N 1 2 330.388 3.003 20 5 EGBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCC[C@H]2O1 ZINC000440961198 458871352 /nfs/dbraw/zinc/87/13/52/458871352.db2.gz SLAHOXCUCHTOJD-HUUCEWRRSA-N 1 2 330.388 3.003 20 5 EGBDLO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000468137282 459006768 /nfs/dbraw/zinc/00/67/68/459006768.db2.gz DMNLMWCJWIHCHF-HNNXBMFYSA-N 1 2 325.796 3.309 20 5 EGBDLO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000468137282 459006772 /nfs/dbraw/zinc/00/67/72/459006772.db2.gz DMNLMWCJWIHCHF-HNNXBMFYSA-N 1 2 325.796 3.309 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNc1nc3c(cc1[N+](=O)[O-])CCCC3)CCC2 ZINC000567750320 459160677 /nfs/dbraw/zinc/16/06/77/459160677.db2.gz QZXNEWFUUDQUAR-AWEZNQCLSA-N 1 2 341.415 3.363 20 5 EGBDLO CCc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(-c2ccncc2)[nH+]1 ZINC000521883196 459189566 /nfs/dbraw/zinc/18/95/66/459189566.db2.gz KMGGYHZRXTYQQJ-UHFFFAOYSA-N 1 2 349.394 3.086 20 5 EGBDLO Cc1noc(C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595320055 459276354 /nfs/dbraw/zinc/27/63/54/459276354.db2.gz AJFXNIOVIQODMS-CQSZACIVSA-N 1 2 333.413 3.490 20 5 EGBDLO Cc1noc(C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595320055 459276359 /nfs/dbraw/zinc/27/63/59/459276359.db2.gz AJFXNIOVIQODMS-CQSZACIVSA-N 1 2 333.413 3.490 20 5 EGBDLO Cc1noc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1[N+](=O)[O-] ZINC000595385165 459287808 /nfs/dbraw/zinc/28/78/08/459287808.db2.gz UGYKQKCYUDULJA-NSHDSACASA-N 1 2 335.385 3.190 20 5 EGBDLO Cc1noc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)c1[N+](=O)[O-] ZINC000595385165 459287816 /nfs/dbraw/zinc/28/78/16/459287816.db2.gz UGYKQKCYUDULJA-NSHDSACASA-N 1 2 335.385 3.190 20 5 EGBDLO CCOC(=O)Cc1ccc(NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])c1 ZINC000591948447 459495281 /nfs/dbraw/zinc/49/52/81/459495281.db2.gz SEWYDVISLCIGLN-UHFFFAOYSA-N 1 2 343.383 3.324 20 5 EGBDLO Cc1cc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596236875 459570505 /nfs/dbraw/zinc/57/05/05/459570505.db2.gz NNJYIKVNSCHQFB-UHFFFAOYSA-N 1 2 326.278 3.208 20 5 EGBDLO CCOc1cc(CSc2nc(N)cc(CC)[nH+]2)ccc1[N+](=O)[O-] ZINC000562620157 459604202 /nfs/dbraw/zinc/60/42/02/459604202.db2.gz MTSLSMSNQZLDTQ-UHFFFAOYSA-N 1 2 334.401 3.051 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596355396 459605296 /nfs/dbraw/zinc/60/52/96/459605296.db2.gz CSTKFRHVXLNQAV-UHFFFAOYSA-N 1 2 349.394 3.172 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2ccc[nH+]c2N2CCCC2)c(Cl)c1 ZINC000596356122 459606742 /nfs/dbraw/zinc/60/67/42/459606742.db2.gz FYVLXCQXQAGWRS-UHFFFAOYSA-N 1 2 333.779 3.251 20 5 EGBDLO C[S@](=O)[C@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596367882 459610756 /nfs/dbraw/zinc/61/07/56/459610756.db2.gz VQGCYSYKDFSKQF-YSALQEOHSA-N 1 2 333.413 3.245 20 5 EGBDLO CO[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602448104 459942655 /nfs/dbraw/zinc/94/26/55/459942655.db2.gz KUBXISKCQNJCED-QMMMGPOBSA-N 1 2 335.223 3.030 20 5 EGBDLO CO[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602448104 459942666 /nfs/dbraw/zinc/94/26/66/459942666.db2.gz KUBXISKCQNJCED-QMMMGPOBSA-N 1 2 335.223 3.030 20 5 EGBDLO C[C@]1(O)CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602650935 460044051 /nfs/dbraw/zinc/04/40/51/460044051.db2.gz TWXUIPSLKMDYSL-LBPRGKRZSA-N 1 2 349.250 3.156 20 5 EGBDLO C[C@]1(O)CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602650935 460044057 /nfs/dbraw/zinc/04/40/57/460044057.db2.gz TWXUIPSLKMDYSL-LBPRGKRZSA-N 1 2 349.250 3.156 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)ccc1[N+](=O)[O-] ZINC000602900757 460177457 /nfs/dbraw/zinc/17/74/57/460177457.db2.gz VDVVHTVTJFHIKB-OAHLLOKOSA-N 1 2 328.372 3.121 20 5 EGBDLO CCOc1cc(C[N@H+]2CCC[C@@H]2c2ncccn2)ccc1[N+](=O)[O-] ZINC000602900757 460177463 /nfs/dbraw/zinc/17/74/63/460177463.db2.gz VDVVHTVTJFHIKB-OAHLLOKOSA-N 1 2 328.372 3.121 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)(F)CC1 ZINC000602992792 460214694 /nfs/dbraw/zinc/21/46/94/460214694.db2.gz GFGXJINPIRDKMW-JTQLQIEISA-N 1 2 343.786 3.399 20 5 EGBDLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000611254510 460318670 /nfs/dbraw/zinc/31/86/70/460318670.db2.gz YRASEERZTFPIII-UHFFFAOYSA-N 1 2 333.432 3.126 20 5 EGBDLO Cc1ccc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000611254510 460318673 /nfs/dbraw/zinc/31/86/73/460318673.db2.gz YRASEERZTFPIII-UHFFFAOYSA-N 1 2 333.432 3.126 20 5 EGBDLO CC(C)[N@H+](Cc1ccco1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253957 460318894 /nfs/dbraw/zinc/31/88/94/460318894.db2.gz JWLTUVPYKNMIMN-UHFFFAOYSA-N 1 2 332.356 3.370 20 5 EGBDLO CC(C)[N@@H+](Cc1ccco1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253957 460318900 /nfs/dbraw/zinc/31/89/00/460318900.db2.gz JWLTUVPYKNMIMN-UHFFFAOYSA-N 1 2 332.356 3.370 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3sccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000611411588 460358796 /nfs/dbraw/zinc/35/87/96/460358796.db2.gz MVRUNSWTXCDFMF-PHIMTYICSA-N 1 2 334.401 3.409 20 5 EGBDLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444745 460367247 /nfs/dbraw/zinc/36/72/47/460367247.db2.gz YIIFGBWYSWKIAB-CQSZACIVSA-N 1 2 337.383 3.489 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2scnc2C)c([N+](=O)[O-])cc1F ZINC000184212464 533791669 /nfs/dbraw/zinc/79/16/69/533791669.db2.gz ZYRIDGNCRPSVNH-UHFFFAOYSA-N 1 2 325.365 3.139 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2scnc2C)c([N+](=O)[O-])cc1F ZINC000184212464 533791675 /nfs/dbraw/zinc/79/16/75/533791675.db2.gz ZYRIDGNCRPSVNH-UHFFFAOYSA-N 1 2 325.365 3.139 20 5 EGBDLO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000154041224 527295349 /nfs/dbraw/zinc/29/53/49/527295349.db2.gz ZQYRHOGAOHNJPA-UHFFFAOYSA-N 1 2 343.412 3.262 20 5 EGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000055745098 546558563 /nfs/dbraw/zinc/55/85/63/546558563.db2.gz CWJRJJKWMRZAPF-UHFFFAOYSA-N 1 2 340.314 3.196 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000172082977 546997091 /nfs/dbraw/zinc/99/70/91/546997091.db2.gz YJRJCVGCAOKJCQ-CXAGYDPISA-N 1 2 327.384 3.075 20 5 EGBDLO Cc1ccc(C[N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)s1 ZINC000728046385 574713987 /nfs/dbraw/zinc/71/39/87/574713987.db2.gz CAEUTYKVHBQVAZ-UHFFFAOYSA-N 1 2 345.222 3.013 20 5 EGBDLO Cc1ccc(C[N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)s1 ZINC000728046385 574713989 /nfs/dbraw/zinc/71/39/89/574713989.db2.gz CAEUTYKVHBQVAZ-UHFFFAOYSA-N 1 2 345.222 3.013 20 5 EGBDLO Cc1cccn2cc(COC(=O)c3cc(F)ccc3[N+](=O)[O-])[nH+]c12 ZINC000728333956 574740048 /nfs/dbraw/zinc/74/00/48/574740048.db2.gz AGGTUYVPMONHRU-UHFFFAOYSA-N 1 2 329.287 3.047 20 5 EGBDLO CC(C)[C@H]1CCC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000738242503 576304682 /nfs/dbraw/zinc/30/46/82/576304682.db2.gz XWVASKHPJUAKCO-NSHDSACASA-N 1 2 345.241 3.269 20 5 EGBDLO CC(C)[C@H]1CCC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000738242503 576304684 /nfs/dbraw/zinc/30/46/84/576304684.db2.gz XWVASKHPJUAKCO-NSHDSACASA-N 1 2 345.241 3.269 20 5 EGBDLO COc1cccc(C(N)=[NH+]OCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000742364627 576773534 /nfs/dbraw/zinc/77/35/34/576773534.db2.gz VHRSKXCKUAHVCK-UHFFFAOYSA-N 1 2 335.747 3.304 20 5 EGBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC000097213711 1292959250 /nfs/dbraw/zinc/95/92/50/1292959250.db2.gz FZBXZAIDANSWCO-UHFFFAOYSA-N 1 2 344.327 3.384 20 5 EGBDLO CCC[C@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000173320397 1294459441 /nfs/dbraw/zinc/45/94/41/1294459441.db2.gz NBBLYMYOJKDFKK-INIZCTEOSA-N 1 2 333.432 3.411 20 5 EGBDLO CCC[C@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000173320397 1294459443 /nfs/dbraw/zinc/45/94/43/1294459443.db2.gz NBBLYMYOJKDFKK-INIZCTEOSA-N 1 2 333.432 3.411 20 5 EGBDLO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000313160975 1297119956 /nfs/dbraw/zinc/11/99/56/1297119956.db2.gz HTPNKAULQFNKMG-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000313160975 1297119960 /nfs/dbraw/zinc/11/99/60/1297119960.db2.gz HTPNKAULQFNKMG-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1c(C[NH2+]Cc2cc(COC(C)(C)C)on2)cccc1[N+](=O)[O-] ZINC000873109266 1297274600 /nfs/dbraw/zinc/27/46/00/1297274600.db2.gz JNBSAXXHAUXPPH-UHFFFAOYSA-N 1 2 333.388 3.496 20 5 EGBDLO C[N@@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])c2ccccc2C1 ZINC000750188189 1299355898 /nfs/dbraw/zinc/35/58/98/1299355898.db2.gz VEYRLOQHQYPHAQ-UHFFFAOYSA-N 1 2 345.786 3.340 20 5 EGBDLO C[N@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])c2ccccc2C1 ZINC000750188189 1299355911 /nfs/dbraw/zinc/35/59/11/1299355911.db2.gz VEYRLOQHQYPHAQ-UHFFFAOYSA-N 1 2 345.786 3.340 20 5 EGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC000754496225 1300152837 /nfs/dbraw/zinc/15/28/37/1300152837.db2.gz XRAXSMROUREOQG-UHFFFAOYSA-N 1 2 341.298 3.277 20 5 EGBDLO CN(C)c1cc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc[nH+]1 ZINC000755886468 1300409785 /nfs/dbraw/zinc/40/97/85/1300409785.db2.gz WJUSDZJYAALXAJ-UHFFFAOYSA-N 1 2 341.323 3.159 20 5 EGBDLO CC(C)C[C@H]1CCCC[N@@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000757616350 1300694383 /nfs/dbraw/zinc/69/43/83/1300694383.db2.gz XASGCTDRLVKPQB-CYBMUJFWSA-N 1 2 345.399 3.049 20 5 EGBDLO CC(C)C[C@H]1CCCC[N@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000757616350 1300694386 /nfs/dbraw/zinc/69/43/86/1300694386.db2.gz XASGCTDRLVKPQB-CYBMUJFWSA-N 1 2 345.399 3.049 20 5 EGBDLO Cc1cc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1F ZINC000768226472 1302859312 /nfs/dbraw/zinc/85/93/12/1302859312.db2.gz IDHPCOPKRBWOTE-UHFFFAOYSA-N 1 2 341.298 3.447 20 5 EGBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886176748 1303386468 /nfs/dbraw/zinc/38/64/68/1303386468.db2.gz KHAUFXBRYRYHAH-HNNXBMFYSA-N 1 2 335.791 3.463 20 5 EGBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886176748 1303386471 /nfs/dbraw/zinc/38/64/71/1303386471.db2.gz KHAUFXBRYRYHAH-HNNXBMFYSA-N 1 2 335.791 3.463 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H]2CCCC[C@@H]21 ZINC000782275100 1304945285 /nfs/dbraw/zinc/94/52/85/1304945285.db2.gz DOXZTHMIDVMAPI-CKYFFXLPSA-N 1 2 343.225 3.022 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H]2CCCC[C@@H]21 ZINC000782275100 1304945289 /nfs/dbraw/zinc/94/52/89/1304945289.db2.gz DOXZTHMIDVMAPI-CKYFFXLPSA-N 1 2 343.225 3.022 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000786581578 1305604224 /nfs/dbraw/zinc/60/42/24/1305604224.db2.gz OZXUBTPFFOHDJL-BETUJISGSA-N 1 2 349.431 3.097 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000786581578 1305604231 /nfs/dbraw/zinc/60/42/31/1305604231.db2.gz OZXUBTPFFOHDJL-BETUJISGSA-N 1 2 349.431 3.097 20 5 EGBDLO COc1c(O)ccc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)c1[N+](=O)[O-] ZINC000893079571 1305695176 /nfs/dbraw/zinc/69/51/76/1305695176.db2.gz JTSWCKAHKGZADP-CYBMUJFWSA-N 1 2 349.412 3.315 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O2 ZINC000790931836 1308890192 /nfs/dbraw/zinc/89/01/92/1308890192.db2.gz LBNWXMOWCUMEDD-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O2 ZINC000790931836 1308890205 /nfs/dbraw/zinc/89/02/05/1308890205.db2.gz LBNWXMOWCUMEDD-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO Cc1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000916373322 1319647511 /nfs/dbraw/zinc/64/75/11/1319647511.db2.gz ABMAFQUUFPYSDY-UHFFFAOYSA-N 1 2 337.335 3.367 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820858971 1319969529 /nfs/dbraw/zinc/96/95/29/1319969529.db2.gz CYBJGWUQJSSKMB-BLLLJJGKSA-N 1 2 342.399 3.131 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000822012716 1320047174 /nfs/dbraw/zinc/04/71/74/1320047174.db2.gz QGFZREMUUOZRMP-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000822013303 1320047336 /nfs/dbraw/zinc/04/73/36/1320047336.db2.gz YRMWNFJBXDPZLZ-IRXDYDNUSA-N 1 2 325.368 3.027 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823058025 1320149991 /nfs/dbraw/zinc/14/99/91/1320149991.db2.gz WLYVXVKUCGEISX-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839578015 1320940300 /nfs/dbraw/zinc/94/03/00/1320940300.db2.gz JBQSNMHTIAVXSZ-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839578015 1320940304 /nfs/dbraw/zinc/94/03/04/1320940304.db2.gz JBQSNMHTIAVXSZ-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000853103612 1323283120 /nfs/dbraw/zinc/28/31/20/1323283120.db2.gz OGSVAZPXNWXVRI-UHFFFAOYSA-N 1 2 337.326 3.448 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000931770568 1329180300 /nfs/dbraw/zinc/18/03/00/1329180300.db2.gz CGLFPKYXAZYNCG-LLVKDONJSA-N 1 2 346.412 3.060 20 5 EGBDLO Cc1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)s1 ZINC000853494866 1325104427 /nfs/dbraw/zinc/10/44/27/1325104427.db2.gz MDPDOFVYCVNCKP-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO Cc1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)s1 ZINC000853494866 1325104430 /nfs/dbraw/zinc/10/44/30/1325104430.db2.gz MDPDOFVYCVNCKP-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO O=[N+]([O-])c1ccc(Nc2cc(Br)cn3cc[nH+]c23)cn1 ZINC001203566519 1370171681 /nfs/dbraw/zinc/17/16/81/1370171681.db2.gz KFYZMMDLWAOZKV-UHFFFAOYSA-N 1 2 334.133 3.144 20 5 EGBDLO Cc1c(Nc2ccc3c(c2)[nH+]cn3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211299194 1372524349 /nfs/dbraw/zinc/52/43/49/1372524349.db2.gz YNFASZYKPQKZCI-UHFFFAOYSA-N 1 2 327.300 3.442 20 5 EGBDLO C[NH+](C)Cc1ccc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)cc1 ZINC001216678901 1373330931 /nfs/dbraw/zinc/33/09/31/1373330931.db2.gz XJKFMJWRXOSXEK-UHFFFAOYSA-N 1 2 340.339 3.079 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218006658 1373534554 /nfs/dbraw/zinc/53/45/54/1373534554.db2.gz NEWCMPPCCGLNMV-JTQLQIEISA-N 1 2 327.114 3.278 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225435492 1375110394 /nfs/dbraw/zinc/11/03/94/1375110394.db2.gz ROSFZFNHNOJEIP-VXGBXAGGSA-N 1 2 348.790 3.253 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225435492 1375110397 /nfs/dbraw/zinc/11/03/97/1375110397.db2.gz ROSFZFNHNOJEIP-VXGBXAGGSA-N 1 2 348.790 3.253 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226970530 1375374490 /nfs/dbraw/zinc/37/44/90/1375374490.db2.gz YOVQGSZTGUJHPM-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226970530 1375374500 /nfs/dbraw/zinc/37/45/00/1375374500.db2.gz YOVQGSZTGUJHPM-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001230144421 1375952347 /nfs/dbraw/zinc/95/23/47/1375952347.db2.gz VRFYCAJYCUETQO-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001230144421 1375952349 /nfs/dbraw/zinc/95/23/49/1375952349.db2.gz VRFYCAJYCUETQO-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO O=[N+]([O-])c1nc(Cl)ccc1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001230879053 1376173506 /nfs/dbraw/zinc/17/35/06/1376173506.db2.gz LGIXWFYDXRBZMT-ZDUSSCGKSA-N 1 2 344.758 3.340 20 5 EGBDLO COc1ccc(C[C@@H](C)[N@@H+]2Cc3cnc(C)cc3C2)c([N+](=O)[O-])c1 ZINC001170353599 1384299299 /nfs/dbraw/zinc/29/92/99/1384299299.db2.gz ZWIAEPUSCNFJGD-CYBMUJFWSA-N 1 2 327.384 3.254 20 5 EGBDLO COc1ccc(C[C@@H](C)[N@H+]2Cc3cnc(C)cc3C2)c([N+](=O)[O-])c1 ZINC001170353599 1384299302 /nfs/dbraw/zinc/29/93/02/1384299302.db2.gz ZWIAEPUSCNFJGD-CYBMUJFWSA-N 1 2 327.384 3.254 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)c[nH+]cc1C ZINC001337510137 1389375961 /nfs/dbraw/zinc/37/59/61/1389375961.db2.gz OXJUXPJYYZUUGZ-HNNXBMFYSA-N 1 2 327.384 3.236 20 5 EGBDLO CC(C)(C)[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001353977100 1392110943 /nfs/dbraw/zinc/11/09/43/1392110943.db2.gz FXYUUNRSVVDHQH-HNNXBMFYSA-N 1 2 328.372 3.041 20 5 EGBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc(C)cs1 ZINC000171770085 529624288 /nfs/dbraw/zinc/62/42/88/529624288.db2.gz FRAMYELNLQAFEI-AWEZNQCLSA-N 1 2 349.412 3.467 20 5 EGBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178088934 529898506 /nfs/dbraw/zinc/89/85/06/529898506.db2.gz YIQGOQRNTWDILH-UHFFFAOYSA-N 1 2 344.396 3.168 20 5 EGBDLO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000127062159 222786927 /nfs/dbraw/zinc/78/69/27/222786927.db2.gz YXQCGQNSUOMZOT-CZUORRHYSA-N 1 2 343.387 3.215 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000036764942 213116799 /nfs/dbraw/zinc/11/67/99/213116799.db2.gz GLHRILDUINEICC-OCCSQVGLSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC2(CC2)C1 ZINC000186968697 236081226 /nfs/dbraw/zinc/08/12/26/236081226.db2.gz RVSVJYDKIZVETE-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC2(CC2)C1 ZINC000186968697 236081229 /nfs/dbraw/zinc/08/12/29/236081229.db2.gz RVSVJYDKIZVETE-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187053093 236104797 /nfs/dbraw/zinc/10/47/97/236104797.db2.gz KYGYQRJHGAFLGA-CQSZACIVSA-N 1 2 335.454 3.384 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187053093 236104798 /nfs/dbraw/zinc/10/47/98/236104798.db2.gz KYGYQRJHGAFLGA-CQSZACIVSA-N 1 2 335.454 3.384 20 5 EGBDLO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccccc1OC ZINC000355556133 283292236 /nfs/dbraw/zinc/29/22/36/283292236.db2.gz QHLPOCRFPRODFI-CYBMUJFWSA-N 1 2 332.404 3.310 20 5 EGBDLO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccccc1OC ZINC000355556133 283292238 /nfs/dbraw/zinc/29/22/38/283292238.db2.gz QHLPOCRFPRODFI-CYBMUJFWSA-N 1 2 332.404 3.310 20 5 EGBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375928445 168845275 /nfs/dbraw/zinc/84/52/75/168845275.db2.gz AKJKUGRXCOEMII-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375928445 168845278 /nfs/dbraw/zinc/84/52/78/168845278.db2.gz AKJKUGRXCOEMII-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO COC[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000264935169 247059325 /nfs/dbraw/zinc/05/93/25/247059325.db2.gz QWUYVFZAYBQZSI-AWEZNQCLSA-N 1 2 342.399 3.223 20 5 EGBDLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000266505761 248336043 /nfs/dbraw/zinc/33/60/43/248336043.db2.gz BSFNWYBDIBUZPJ-AWEZNQCLSA-N 1 2 344.415 3.078 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266943944 248517884 /nfs/dbraw/zinc/51/78/84/248517884.db2.gz DMBLBVNTWOCOKE-UHFFFAOYSA-N 1 2 329.360 3.038 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cccnc1 ZINC000155037458 224347270 /nfs/dbraw/zinc/34/72/70/224347270.db2.gz PRHYUNNTDVTPFJ-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cccnc1 ZINC000155037458 224347273 /nfs/dbraw/zinc/34/72/73/224347273.db2.gz PRHYUNNTDVTPFJ-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO CCCCc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2[nH+]1 ZINC000344466254 141158840 /nfs/dbraw/zinc/15/88/40/141158840.db2.gz PUOXPGRCFUDXPU-UHFFFAOYSA-N 1 2 327.344 3.394 20 5 EGBDLO CC(C)[N@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000191233283 153183116 /nfs/dbraw/zinc/18/31/16/153183116.db2.gz IIFDSEXPOHKGRH-UHFFFAOYSA-N 1 2 331.420 3.352 20 5 EGBDLO CC(C)[N@@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000191233283 153183118 /nfs/dbraw/zinc/18/31/18/153183118.db2.gz IIFDSEXPOHKGRH-UHFFFAOYSA-N 1 2 331.420 3.352 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109783359 162111502 /nfs/dbraw/zinc/11/15/02/162111502.db2.gz QPFHSKIAPKQDGC-ZDUSSCGKSA-N 1 2 343.383 3.240 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109783359 162111504 /nfs/dbraw/zinc/11/15/04/162111504.db2.gz QPFHSKIAPKQDGC-ZDUSSCGKSA-N 1 2 343.383 3.240 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000112532180 162180795 /nfs/dbraw/zinc/18/07/95/162180795.db2.gz IOHKIRJABVPEGX-NEPJUHHUSA-N 1 2 338.367 3.243 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337217513 163167150 /nfs/dbraw/zinc/16/71/50/163167150.db2.gz IKCJFJBNPUTNFJ-CYBMUJFWSA-N 1 2 342.729 3.350 20 5 EGBDLO Cc1nc(C2([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000338709115 163326683 /nfs/dbraw/zinc/32/66/83/163326683.db2.gz QGJZFJSRWRWHMH-VURMDHGXSA-N 1 2 328.372 3.359 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000342007775 163761682 /nfs/dbraw/zinc/76/16/82/163761682.db2.gz NHWHUIYPPWBEQN-LBPRGKRZSA-N 1 2 348.428 3.110 20 5 EGBDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000346519692 164390842 /nfs/dbraw/zinc/39/08/42/164390842.db2.gz LEUDAHBSQDEXMM-KRWDZBQOSA-N 1 2 346.383 3.203 20 5 EGBDLO CCc1ccc([C@@H]2COCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000346519692 164390843 /nfs/dbraw/zinc/39/08/43/164390843.db2.gz LEUDAHBSQDEXMM-KRWDZBQOSA-N 1 2 346.383 3.203 20 5 EGBDLO CCc1ccc([C@@H]([NH2+]C[C@H](O)C(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346569268 164399045 /nfs/dbraw/zinc/39/90/45/164399045.db2.gz XMWSTGUFQRLGDY-ZFWWWQNUSA-N 1 2 340.326 3.055 20 5 EGBDLO CSc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000350144935 165011576 /nfs/dbraw/zinc/01/15/76/165011576.db2.gz FVSPJZDXUNJROH-UHFFFAOYSA-N 1 2 328.353 3.217 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352357012 165360519 /nfs/dbraw/zinc/36/05/19/165360519.db2.gz PIWICWGRWFDCRK-UHFFFAOYSA-N 1 2 347.378 3.335 20 5 EGBDLO Cn1c(C[NH2+]Cc2ccccc2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC000358970099 167022524 /nfs/dbraw/zinc/02/25/24/167022524.db2.gz XJAIDJVZYUJZCL-UHFFFAOYSA-N 1 2 330.775 3.425 20 5 EGBDLO CCOC(=O)c1cc(NCCc2cccc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000359819040 167240691 /nfs/dbraw/zinc/24/06/91/167240691.db2.gz POELRWAKBGCACQ-UHFFFAOYSA-N 1 2 329.356 3.130 20 5 EGBDLO Cc1cc(NC[C@H](C)[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359883909 167257417 /nfs/dbraw/zinc/25/74/17/167257417.db2.gz VKRGSIVQZVTXCA-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO CSc1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1[N+](=O)[O-] ZINC000362829754 167847135 /nfs/dbraw/zinc/84/71/35/167847135.db2.gz XVSAURWLCKFGMK-UHFFFAOYSA-N 1 2 328.353 3.217 20 5 EGBDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC000277413753 267785160 /nfs/dbraw/zinc/78/51/60/267785160.db2.gz LVSKLCLAJCVYDQ-GHMZBOCLSA-N 1 2 333.392 3.086 20 5 EGBDLO Nc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000278491038 268024867 /nfs/dbraw/zinc/02/48/67/268024867.db2.gz HFFFDCNUCHOFRE-UHFFFAOYSA-N 1 2 327.388 3.174 20 5 EGBDLO Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000043784015 275129975 /nfs/dbraw/zinc/12/99/75/275129975.db2.gz GGNYIDSOJSLOGU-HNNXBMFYSA-N 1 2 341.411 3.040 20 5 EGBDLO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000043784015 275129976 /nfs/dbraw/zinc/12/99/76/275129976.db2.gz GGNYIDSOJSLOGU-HNNXBMFYSA-N 1 2 341.411 3.040 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000281886845 275585693 /nfs/dbraw/zinc/58/56/93/275585693.db2.gz SNPXXPYANMFPKB-INIZCTEOSA-N 1 2 342.399 3.487 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000288060539 276179546 /nfs/dbraw/zinc/17/95/46/276179546.db2.gz FXXRPEJZBMGBHU-UHFFFAOYSA-N 1 2 328.376 3.041 20 5 EGBDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000292128161 276737871 /nfs/dbraw/zinc/73/78/71/276737871.db2.gz IDEWZFYBIMMDSR-KBPBESRZSA-N 1 2 333.432 3.062 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000050124175 281049001 /nfs/dbraw/zinc/04/90/01/281049001.db2.gz FKFUOPCGKJJDHC-AWEZNQCLSA-N 1 2 328.372 3.185 20 5 EGBDLO C[C@H](N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000255556833 308053701 /nfs/dbraw/zinc/05/37/01/308053701.db2.gz BAJSYXGFNXJTNU-AGLBCWCQSA-N 1 2 343.349 3.176 20 5 EGBDLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293118292 308101087 /nfs/dbraw/zinc/10/10/87/308101087.db2.gz KHHBUIOAZDYARV-IAQYHMDHSA-N 1 2 335.791 3.160 20 5 EGBDLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293118292 308101089 /nfs/dbraw/zinc/10/10/89/308101089.db2.gz KHHBUIOAZDYARV-IAQYHMDHSA-N 1 2 335.791 3.160 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(SCCC[NH+]3CCOCC3)sc2c1 ZINC000299578954 308680002 /nfs/dbraw/zinc/68/00/02/308680002.db2.gz VXLRWYIWGAIWSD-UHFFFAOYSA-N 1 2 339.442 3.019 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC000413057607 309013802 /nfs/dbraw/zinc/01/38/02/309013802.db2.gz GIGQEXYGJSKBQU-UHFFFAOYSA-N 1 2 331.351 3.126 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421220121 309316662 /nfs/dbraw/zinc/31/66/62/309316662.db2.gz WFJPVWXPCLPJGH-UHFFFAOYSA-N 1 2 346.358 3.145 20 5 EGBDLO Cc1cc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421553672 309329506 /nfs/dbraw/zinc/32/95/06/309329506.db2.gz DZIVSQXJPHLDQH-UHFFFAOYSA-N 1 2 340.383 3.111 20 5 EGBDLO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2Nc2ccc3c(c2)CC[NH2+]3)n1 ZINC000423207572 309390549 /nfs/dbraw/zinc/39/05/49/309390549.db2.gz CYPAEZQVBUULHS-CVEARBPZSA-N 1 2 327.388 3.355 20 5 EGBDLO CCCc1nc(C)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000428459008 309551922 /nfs/dbraw/zinc/55/19/22/309551922.db2.gz LQEPTYMJWGOXBY-UHFFFAOYSA-N 1 2 344.415 3.166 20 5 EGBDLO C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448665092 310011419 /nfs/dbraw/zinc/01/14/19/310011419.db2.gz PJZYNBFFWKPGQK-TZMCWYRMSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448669195 310011616 /nfs/dbraw/zinc/01/16/16/310011616.db2.gz RNRFRAVOXXQQLJ-DZGCQCFKSA-N 1 2 342.399 3.431 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000450825805 310144319 /nfs/dbraw/zinc/14/43/19/310144319.db2.gz FLJOINNCZPRNJX-QMMMGPOBSA-N 1 2 340.181 3.142 20 5 EGBDLO COC[C@H]1CCCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450942006 310151231 /nfs/dbraw/zinc/15/12/31/310151231.db2.gz QOEJHIOFDXAGFG-MRXNPFEDSA-N 1 2 342.399 3.366 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456403357 310404380 /nfs/dbraw/zinc/40/43/80/310404380.db2.gz WNYFVMSVKOCHSQ-MJVIPROJSA-N 1 2 346.412 3.094 20 5 EGBDLO C[C@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457186308 310442234 /nfs/dbraw/zinc/44/22/34/310442234.db2.gz CUXCLOVCHGPZIU-GFCCVEGCSA-N 1 2 330.388 3.335 20 5 EGBDLO Cn1c2cccc(Cl)c2[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000464339233 310619854 /nfs/dbraw/zinc/61/98/54/310619854.db2.gz GUGQJQZUIWWPFE-UHFFFAOYSA-N 1 2 334.738 3.308 20 5 EGBDLO CN(c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000471828502 310749428 /nfs/dbraw/zinc/74/94/28/310749428.db2.gz XDAIYSMLCZAQHQ-UHFFFAOYSA-N 1 2 333.432 3.196 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnn(CC(F)F)c1)C1CC1 ZINC000507245024 312065053 /nfs/dbraw/zinc/06/50/53/312065053.db2.gz VVXOZGMQSLIPPN-UHFFFAOYSA-N 1 2 336.342 3.221 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnn(CC(F)F)c1)C1CC1 ZINC000507245024 312065054 /nfs/dbraw/zinc/06/50/54/312065054.db2.gz VVXOZGMQSLIPPN-UHFFFAOYSA-N 1 2 336.342 3.221 20 5 EGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)c1 ZINC000531178251 313637941 /nfs/dbraw/zinc/63/79/41/313637941.db2.gz XIELFTQVQMEXMP-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO CO[C@H]1CCC[C@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539232414 314302034 /nfs/dbraw/zinc/30/20/34/314302034.db2.gz FPEZOFHOWLAHDN-HOCLYGCPSA-N 1 2 342.399 3.009 20 5 EGBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000171614216 323242532 /nfs/dbraw/zinc/24/25/32/323242532.db2.gz YFGURJGYPMLRGQ-LBPRGKRZSA-N 1 2 332.331 3.006 20 5 EGBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000171614216 323242537 /nfs/dbraw/zinc/24/25/37/323242537.db2.gz YFGURJGYPMLRGQ-LBPRGKRZSA-N 1 2 332.331 3.006 20 5 EGBDLO Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000581581827 325373236 /nfs/dbraw/zinc/37/32/36/325373236.db2.gz YPTSACLVZHURRW-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000581581827 325373238 /nfs/dbraw/zinc/37/32/38/325373238.db2.gz YPTSACLVZHURRW-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(F)c1 ZINC000159140853 455355116 /nfs/dbraw/zinc/35/51/16/455355116.db2.gz YAIWDMGPIOPJTG-IBGZPJMESA-N 1 2 342.370 3.408 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(F)c1 ZINC000159140853 455355117 /nfs/dbraw/zinc/35/51/17/455355117.db2.gz YAIWDMGPIOPJTG-IBGZPJMESA-N 1 2 342.370 3.408 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000018181514 453646732 /nfs/dbraw/zinc/64/67/32/453646732.db2.gz HXSRUHPNDRBGIF-UHFFFAOYSA-N 1 2 346.412 3.006 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1F ZINC000024586137 453739194 /nfs/dbraw/zinc/73/91/94/453739194.db2.gz YQOWBUGUCIFZKE-HNNXBMFYSA-N 1 2 327.319 3.064 20 5 EGBDLO O=C(c1ccccc1)c1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000025673626 453782353 /nfs/dbraw/zinc/78/23/53/453782353.db2.gz RAZLKFGSHVCAFU-UHFFFAOYSA-N 1 2 336.351 3.134 20 5 EGBDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026346150 453797801 /nfs/dbraw/zinc/79/78/01/453797801.db2.gz YFWKEQRFELKKSY-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000026346150 453797802 /nfs/dbraw/zinc/79/78/02/453797802.db2.gz YFWKEQRFELKKSY-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccco1 ZINC000030276252 453834841 /nfs/dbraw/zinc/83/48/41/453834841.db2.gz LGBJIKFDMRTRQP-SNVBAGLBSA-N 1 2 337.763 3.300 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccco1 ZINC000030276252 453834842 /nfs/dbraw/zinc/83/48/42/453834842.db2.gz LGBJIKFDMRTRQP-SNVBAGLBSA-N 1 2 337.763 3.300 20 5 EGBDLO COc1cccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000052689967 453842026 /nfs/dbraw/zinc/84/20/26/453842026.db2.gz CSQOJPYXTDNZRW-UHFFFAOYSA-N 1 2 326.356 3.112 20 5 EGBDLO COc1cccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000052689967 453842029 /nfs/dbraw/zinc/84/20/29/453842029.db2.gz CSQOJPYXTDNZRW-UHFFFAOYSA-N 1 2 326.356 3.112 20 5 EGBDLO Cc1ccc(F)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032051238 453863128 /nfs/dbraw/zinc/86/31/28/453863128.db2.gz SMJCVQVBIRJGJO-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO Cc1c(NC(=O)NCC[NH+]2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000068525767 454034262 /nfs/dbraw/zinc/03/42/62/454034262.db2.gz ZCIMRQFBLDISQI-UHFFFAOYSA-N 1 2 340.383 3.041 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438063 454100369 /nfs/dbraw/zinc/10/03/69/454100369.db2.gz KVLMFNMROLIOAJ-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438063 454100371 /nfs/dbraw/zinc/10/03/71/454100371.db2.gz KVLMFNMROLIOAJ-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000047219902 454342338 /nfs/dbraw/zinc/34/23/38/454342338.db2.gz AEMMQSVPRLZXSF-UHFFFAOYSA-N 1 2 336.351 3.447 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccsc2C1 ZINC000132749353 454363057 /nfs/dbraw/zinc/36/30/57/454363057.db2.gz ZSOLNQRHTSGWIA-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccsc2C1 ZINC000132749353 454363061 /nfs/dbraw/zinc/36/30/61/454363061.db2.gz ZSOLNQRHTSGWIA-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000063583144 454425025 /nfs/dbraw/zinc/42/50/25/454425025.db2.gz DVEQUVRYBBPTIJ-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO Cc1nc(C2([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CCCCC2)no1 ZINC000065536241 454587586 /nfs/dbraw/zinc/58/75/86/454587586.db2.gz OLRLHVNNADOEIZ-UHFFFAOYSA-N 1 2 346.387 3.114 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000051689164 454635036 /nfs/dbraw/zinc/63/50/36/454635036.db2.gz DXZADMLJPKXLFX-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000051689164 454635040 /nfs/dbraw/zinc/63/50/40/454635040.db2.gz DXZADMLJPKXLFX-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1cccnc1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000052334151 454668794 /nfs/dbraw/zinc/66/87/94/454668794.db2.gz JEOVFPGSPZOCJE-UHFFFAOYSA-N 1 2 327.388 3.377 20 5 EGBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135646479 454695878 /nfs/dbraw/zinc/69/58/78/454695878.db2.gz QOIHCSPXKKMEMO-CQSZACIVSA-N 1 2 334.807 3.491 20 5 EGBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135646479 454695881 /nfs/dbraw/zinc/69/58/81/454695881.db2.gz QOIHCSPXKKMEMO-CQSZACIVSA-N 1 2 334.807 3.491 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162570297 454784844 /nfs/dbraw/zinc/78/48/44/454784844.db2.gz OXCUIVKUAYVLAV-UHFFFAOYSA-N 1 2 349.431 3.121 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126160829 454874553 /nfs/dbraw/zinc/87/45/53/454874553.db2.gz GEHFLUGAURJBHS-IBGZPJMESA-N 1 2 342.395 3.485 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126160829 454874557 /nfs/dbraw/zinc/87/45/57/454874557.db2.gz GEHFLUGAURJBHS-IBGZPJMESA-N 1 2 342.395 3.485 20 5 EGBDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127673451 454987064 /nfs/dbraw/zinc/98/70/64/454987064.db2.gz YNYYQQROPHYYRZ-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127673451 454987068 /nfs/dbraw/zinc/98/70/68/454987068.db2.gz YNYYQQROPHYYRZ-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127783203 454996834 /nfs/dbraw/zinc/99/68/34/454996834.db2.gz CALKWHGJKZLWMK-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127783203 454996839 /nfs/dbraw/zinc/99/68/39/454996839.db2.gz CALKWHGJKZLWMK-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000172082963 455119213 /nfs/dbraw/zinc/11/92/13/455119213.db2.gz YJRJCVGCAOKJCQ-GUYCJALGSA-N 1 2 327.384 3.075 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC(F)(F)CO)s1 ZINC000183887646 455336243 /nfs/dbraw/zinc/33/62/43/455336243.db2.gz XKXJWSQTJNQUGB-UHFFFAOYSA-N 1 2 328.340 3.041 20 5 EGBDLO Cc1cc(NC[C@@H](C)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265879088 455398268 /nfs/dbraw/zinc/39/82/68/455398268.db2.gz XWZPYOAPLIXSKO-WCQYABFASA-N 1 2 330.388 3.179 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c(Cl)c1 ZINC000182044430 455423548 /nfs/dbraw/zinc/42/35/48/455423548.db2.gz LYICAEMFFDTZFA-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000246375579 455478669 /nfs/dbraw/zinc/47/86/69/455478669.db2.gz HDQLAHCTWBXUOZ-DYVFJYSZSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000246375579 455478671 /nfs/dbraw/zinc/47/86/71/455478671.db2.gz HDQLAHCTWBXUOZ-DYVFJYSZSA-N 1 2 348.424 3.497 20 5 EGBDLO CCC1(CC)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000268066779 455587957 /nfs/dbraw/zinc/58/79/57/455587957.db2.gz ISFYWJOFQNNZAJ-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634526 455658197 /nfs/dbraw/zinc/65/81/97/455658197.db2.gz KOGUTAJHBKDCHF-OAHLLOKOSA-N 1 2 341.411 3.074 20 5 EGBDLO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634526 455658205 /nfs/dbraw/zinc/65/82/05/455658205.db2.gz KOGUTAJHBKDCHF-OAHLLOKOSA-N 1 2 341.411 3.074 20 5 EGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CCO)c1ccccc1 ZINC000284324778 455668869 /nfs/dbraw/zinc/66/88/69/455668869.db2.gz WSIVVQPQZYMXQA-KRWDZBQOSA-N 1 2 336.338 3.429 20 5 EGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CCO)c1ccccc1 ZINC000284324778 455668876 /nfs/dbraw/zinc/66/88/76/455668876.db2.gz WSIVVQPQZYMXQA-KRWDZBQOSA-N 1 2 336.338 3.429 20 5 EGBDLO CC(C)c1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000187175328 455876290 /nfs/dbraw/zinc/87/62/90/455876290.db2.gz CYTBFZATDMZALG-UHFFFAOYSA-N 1 2 328.372 3.432 20 5 EGBDLO Cc1cc(N[C@H](C)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270107786 455878932 /nfs/dbraw/zinc/87/89/32/455878932.db2.gz CWRZCJKFNJWCSR-TZMCWYRMSA-N 1 2 328.372 3.197 20 5 EGBDLO COCC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000285701706 455899379 /nfs/dbraw/zinc/89/93/79/455899379.db2.gz RTMVJEMQWQHWOP-CQSZACIVSA-N 1 2 326.299 3.333 20 5 EGBDLO CS[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296501138 455956279 /nfs/dbraw/zinc/95/62/79/455956279.db2.gz ZGLBZAMXPDQEEA-GXSJLCMTSA-N 1 2 343.836 3.013 20 5 EGBDLO CS[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296501138 455956283 /nfs/dbraw/zinc/95/62/83/455956283.db2.gz ZGLBZAMXPDQEEA-GXSJLCMTSA-N 1 2 343.836 3.013 20 5 EGBDLO COC(=O)c1ccoc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270885624 456060069 /nfs/dbraw/zinc/06/00/69/456060069.db2.gz MCOWMJIGUCWOEA-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1ccoc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270885624 456060073 /nfs/dbraw/zinc/06/00/73/456060073.db2.gz MCOWMJIGUCWOEA-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(NCC[N@@H+]2CCCOCC2)c(Cl)c1 ZINC000188494970 456072646 /nfs/dbraw/zinc/07/26/46/456072646.db2.gz RZJSOJQHQLOAAD-UHFFFAOYSA-N 1 2 334.203 3.036 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(NCC[N@H+]2CCCOCC2)c(Cl)c1 ZINC000188494970 456072648 /nfs/dbraw/zinc/07/26/48/456072648.db2.gz RZJSOJQHQLOAAD-UHFFFAOYSA-N 1 2 334.203 3.036 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(NCc2ccc(-n3cc[nH+]c3)nc2)c(F)c1 ZINC000301767487 456210024 /nfs/dbraw/zinc/21/00/24/456210024.db2.gz DPODAKHULXGXKE-UHFFFAOYSA-N 1 2 331.282 3.066 20 5 EGBDLO O=[N+]([O-])c1c(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc2ncccc21 ZINC000301779211 456212798 /nfs/dbraw/zinc/21/27/98/456212798.db2.gz QJOKYTHLEWEKRK-CYBMUJFWSA-N 1 2 335.367 3.229 20 5 EGBDLO CCC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000301846253 456231442 /nfs/dbraw/zinc/23/14/42/456231442.db2.gz UEUADUXPTWBNAI-MRXNPFEDSA-N 1 2 342.399 3.366 20 5 EGBDLO COc1cc(C[NH2+]Cc2ccc(Cl)cc2F)c([N+](=O)[O-])cc1O ZINC000189192368 456251028 /nfs/dbraw/zinc/25/10/28/456251028.db2.gz UVFNIVOXUUIPJB-UHFFFAOYSA-N 1 2 340.738 3.391 20 5 EGBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000348097161 456476496 /nfs/dbraw/zinc/47/64/96/456476496.db2.gz SXZWRAPVDJFXCW-UHFFFAOYSA-N 1 2 348.428 3.132 20 5 EGBDLO Cc1c([C@@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000340523911 456510476 /nfs/dbraw/zinc/51/04/76/456510476.db2.gz IKFMJZXLHBXNTE-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000315201680 456605726 /nfs/dbraw/zinc/60/57/26/456605726.db2.gz QUSWVXCPKMEFSI-NXEZZACHSA-N 1 2 335.385 3.250 20 5 EGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000315201681 456606024 /nfs/dbraw/zinc/60/60/24/456606024.db2.gz QUSWVXCPKMEFSI-UWVGGRQHSA-N 1 2 335.385 3.250 20 5 EGBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299470209 456702730 /nfs/dbraw/zinc/70/27/30/456702730.db2.gz UESLGBHLGBZMQI-RZIFZGNASA-N 1 2 326.356 3.085 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@](=O)C1 ZINC000277491510 456843075 /nfs/dbraw/zinc/84/30/75/456843075.db2.gz NKWOZTVVPUOWMF-RKNYENMMSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@](=O)C1 ZINC000277491510 456843079 /nfs/dbraw/zinc/84/30/79/456843079.db2.gz NKWOZTVVPUOWMF-RKNYENMMSA-N 1 2 348.424 3.055 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccccc1F ZINC000349505384 456978967 /nfs/dbraw/zinc/97/89/67/456978967.db2.gz KBLWRGPVENDDAI-UHFFFAOYSA-N 1 2 345.374 3.178 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000349576254 456990944 /nfs/dbraw/zinc/99/09/44/456990944.db2.gz AASVSFPUZUYYMV-UHFFFAOYSA-N 1 2 344.367 3.354 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000349576254 456990950 /nfs/dbraw/zinc/99/09/50/456990950.db2.gz AASVSFPUZUYYMV-UHFFFAOYSA-N 1 2 344.367 3.354 20 5 EGBDLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356515852 457031373 /nfs/dbraw/zinc/03/13/73/457031373.db2.gz ALQUUFRVXICWHO-UHFFFAOYSA-N 1 2 330.388 3.010 20 5 EGBDLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356515852 457031377 /nfs/dbraw/zinc/03/13/77/457031377.db2.gz ALQUUFRVXICWHO-UHFFFAOYSA-N 1 2 330.388 3.010 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]cn1C ZINC000356757175 457152628 /nfs/dbraw/zinc/15/26/28/457152628.db2.gz ZHTVZQHUWOVOGM-UHFFFAOYSA-N 1 2 348.428 3.151 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000339585407 457155931 /nfs/dbraw/zinc/15/59/31/457155931.db2.gz WINRYNVGFWRUKK-GDNBJRDFSA-N 1 2 349.394 3.369 20 5 EGBDLO Cc1[nH+]c2ccc(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])cc2n1C ZINC000354385043 457191777 /nfs/dbraw/zinc/19/17/77/457191777.db2.gz LEERFYUFXWKFLH-UHFFFAOYSA-N 1 2 338.367 3.062 20 5 EGBDLO CC[C@]1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000331923230 457273645 /nfs/dbraw/zinc/27/36/45/457273645.db2.gz MJQPVNSYVCNTKH-QGZVFWFLSA-N 1 2 328.372 3.043 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000339825914 457296336 /nfs/dbraw/zinc/29/63/36/457296336.db2.gz ZIMXZKJBXYNURF-UHFFFAOYSA-N 1 2 348.406 3.398 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000339825914 457296341 /nfs/dbraw/zinc/29/63/41/457296341.db2.gz ZIMXZKJBXYNURF-UHFFFAOYSA-N 1 2 348.406 3.398 20 5 EGBDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000347224498 457297436 /nfs/dbraw/zinc/29/74/36/457297436.db2.gz LBRBDABLKWMZOH-SJKOYZFVSA-N 1 2 337.383 3.449 20 5 EGBDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000347224498 457297444 /nfs/dbraw/zinc/29/74/44/457297444.db2.gz LBRBDABLKWMZOH-SJKOYZFVSA-N 1 2 337.383 3.449 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354703264 457313206 /nfs/dbraw/zinc/31/32/06/457313206.db2.gz JVMKEAUZFREEIS-ZWKOTPCHSA-N 1 2 332.400 3.137 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354703264 457313210 /nfs/dbraw/zinc/31/32/10/457313210.db2.gz JVMKEAUZFREEIS-ZWKOTPCHSA-N 1 2 332.400 3.137 20 5 EGBDLO Cc1cccn2cc(CNc3ncnc4sc([N+](=O)[O-])cc43)[nH+]c12 ZINC000342534697 457353953 /nfs/dbraw/zinc/35/39/53/457353953.db2.gz DDUCDWBMFHJZAE-UHFFFAOYSA-N 1 2 340.368 3.168 20 5 EGBDLO Nc1c(F)c(NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000361074005 457566083 /nfs/dbraw/zinc/56/60/83/457566083.db2.gz OKNURTCMILSTLK-UHFFFAOYSA-N 1 2 327.319 3.318 20 5 EGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361481126 457745638 /nfs/dbraw/zinc/74/56/38/457745638.db2.gz JSBLXHIEETYXMN-UHFFFAOYSA-N 1 2 346.293 3.170 20 5 EGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000371438949 457929650 /nfs/dbraw/zinc/92/96/50/457929650.db2.gz NYBUSRLZIRJZOZ-UHFFFAOYSA-N 1 2 336.351 3.177 20 5 EGBDLO Cc1cc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000444728360 457956487 /nfs/dbraw/zinc/95/64/87/457956487.db2.gz DUQIIUJENDFTNY-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000444728360 457956494 /nfs/dbraw/zinc/95/64/94/457956494.db2.gz DUQIIUJENDFTNY-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000369290305 458158873 /nfs/dbraw/zinc/15/88/73/458158873.db2.gz LAWURTBLSNJDBL-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000369290305 458158879 /nfs/dbraw/zinc/15/88/79/458158879.db2.gz LAWURTBLSNJDBL-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO Cc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)[nH+]1 ZINC000447195842 458274013 /nfs/dbraw/zinc/27/40/13/458274013.db2.gz YSAIVNVSFWIPEI-UHFFFAOYSA-N 1 2 326.356 3.197 20 5 EGBDLO CC(=O)c1cc(NC[C@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000376393542 458287217 /nfs/dbraw/zinc/28/72/17/458287217.db2.gz BFZHSFAIDNVGMW-CYBMUJFWSA-N 1 2 328.372 3.292 20 5 EGBDLO Cc1cccc2c1C[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000429560257 458345724 /nfs/dbraw/zinc/34/57/24/458345724.db2.gz JDALRBAAFTVBBR-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000429560257 458345728 /nfs/dbraw/zinc/34/57/28/458345728.db2.gz JDALRBAAFTVBBR-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372941449 458355279 /nfs/dbraw/zinc/35/52/79/458355279.db2.gz ZLLJHSDIGQYAQY-UHFFFAOYSA-N 1 2 343.387 3.100 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000430198265 458419596 /nfs/dbraw/zinc/41/95/96/458419596.db2.gz QRSRYGDPFCDWTH-SFHVURJKSA-N 1 2 346.358 3.316 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000430198265 458419600 /nfs/dbraw/zinc/41/96/00/458419600.db2.gz QRSRYGDPFCDWTH-SFHVURJKSA-N 1 2 346.358 3.316 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437572730 458468611 /nfs/dbraw/zinc/46/86/11/458468611.db2.gz XAJAJNXBIQNORT-CXAGYDPISA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437572730 458468615 /nfs/dbraw/zinc/46/86/15/458468615.db2.gz XAJAJNXBIQNORT-CXAGYDPISA-N 1 2 325.368 3.369 20 5 EGBDLO Cc1cc(N[C@@H](C)c2cncs2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000439135172 458659066 /nfs/dbraw/zinc/65/90/66/458659066.db2.gz WMRSKYLCCFCIGJ-NSHDSACASA-N 1 2 341.396 3.412 20 5 EGBDLO CO[C@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462914164 458666595 /nfs/dbraw/zinc/66/65/95/458666595.db2.gz PLGOTTKKHBBBFR-CVEARBPZSA-N 1 2 342.399 3.152 20 5 EGBDLO CC(C)c1ncc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000440478002 458817017 /nfs/dbraw/zinc/81/70/17/458817017.db2.gz NIYMMCYCOFFJLI-UHFFFAOYSA-N 1 2 341.371 3.281 20 5 EGBDLO CC(C)c1ncc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000440478002 458817020 /nfs/dbraw/zinc/81/70/20/458817020.db2.gz NIYMMCYCOFFJLI-UHFFFAOYSA-N 1 2 341.371 3.281 20 5 EGBDLO O=[N+]([O-])c1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000590642220 459170296 /nfs/dbraw/zinc/17/02/96/459170296.db2.gz FWFHSMFDYQGZNI-UHFFFAOYSA-N 1 2 345.374 3.178 20 5 EGBDLO COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595072132 459237029 /nfs/dbraw/zinc/23/70/29/459237029.db2.gz GCLPFGRBPPCUIC-LBPRGKRZSA-N 1 2 346.383 3.471 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000484016001 459403542 /nfs/dbraw/zinc/40/35/42/459403542.db2.gz LYPQPBPVZWKZQZ-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000484016001 459403547 /nfs/dbraw/zinc/40/35/47/459403547.db2.gz LYPQPBPVZWKZQZ-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1F ZINC000595752501 459425619 /nfs/dbraw/zinc/42/56/19/459425619.db2.gz LNXHAXSWACLXQY-CYBMUJFWSA-N 1 2 335.335 3.376 20 5 EGBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1F ZINC000595752501 459425624 /nfs/dbraw/zinc/42/56/24/459425624.db2.gz LNXHAXSWACLXQY-CYBMUJFWSA-N 1 2 335.335 3.376 20 5 EGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595759181 459428876 /nfs/dbraw/zinc/42/88/76/459428876.db2.gz IZJYXXAHYPMKRJ-UHFFFAOYSA-N 1 2 338.367 3.038 20 5 EGBDLO COc1ccc2c(c1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595759181 459428880 /nfs/dbraw/zinc/42/88/80/459428880.db2.gz IZJYXXAHYPMKRJ-UHFFFAOYSA-N 1 2 338.367 3.038 20 5 EGBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593056228 459758596 /nfs/dbraw/zinc/75/85/96/459758596.db2.gz BYLKZMSIPPGYCZ-CYBMUJFWSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593056228 459758600 /nfs/dbraw/zinc/75/86/00/459758600.db2.gz BYLKZMSIPPGYCZ-CYBMUJFWSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](CC)CO1 ZINC000593058497 459759736 /nfs/dbraw/zinc/75/97/36/459759736.db2.gz MWSUBSPPFWNWCG-UKRRQHHQSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](CC)CO1 ZINC000593058497 459759742 /nfs/dbraw/zinc/75/97/42/459759742.db2.gz MWSUBSPPFWNWCG-UKRRQHHQSA-N 1 2 346.387 3.034 20 5 EGBDLO COC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602432128 459935806 /nfs/dbraw/zinc/93/58/06/459935806.db2.gz VZDFJCOLZLWFIF-UHFFFAOYSA-N 1 2 335.223 3.030 20 5 EGBDLO C[C@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575835267 460013983 /nfs/dbraw/zinc/01/39/83/460013983.db2.gz YLRQIHUBXFPQAI-LBPRGKRZSA-N 1 2 349.350 3.368 20 5 EGBDLO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccn(C)n1 ZINC000602686277 460064895 /nfs/dbraw/zinc/06/48/95/460064895.db2.gz BBAWQIMPGKTZOG-ZETCQYMHSA-N 1 2 345.222 3.003 20 5 EGBDLO CCn1cc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)C)cn1 ZINC000602700088 460072113 /nfs/dbraw/zinc/07/21/13/460072113.db2.gz RQYFPPQNSFBKRC-UHFFFAOYSA-N 1 2 343.387 3.363 20 5 EGBDLO CCn1cc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)C)cn1 ZINC000602700088 460072123 /nfs/dbraw/zinc/07/21/23/460072123.db2.gz RQYFPPQNSFBKRC-UHFFFAOYSA-N 1 2 343.387 3.363 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584846 460279926 /nfs/dbraw/zinc/27/99/26/460279926.db2.gz CEHLBOLWAJDLMR-YPMHNXCESA-N 1 2 340.445 3.456 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584846 460279929 /nfs/dbraw/zinc/27/99/29/460279929.db2.gz CEHLBOLWAJDLMR-YPMHNXCESA-N 1 2 340.445 3.456 20 5 EGBDLO O=[N+]([O-])c1ccsc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000611493784 460376690 /nfs/dbraw/zinc/37/66/90/460376690.db2.gz FCFFHLBRXKBIBL-UHFFFAOYSA-N 1 2 326.381 3.405 20 5 EGBDLO CCOC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600201782 460436069 /nfs/dbraw/zinc/43/60/69/460436069.db2.gz WXUMJXACOBVIPI-HNNXBMFYSA-N 1 2 346.383 3.092 20 5 EGBDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600201782 460436078 /nfs/dbraw/zinc/43/60/78/460436078.db2.gz WXUMJXACOBVIPI-HNNXBMFYSA-N 1 2 346.383 3.092 20 5 EGBDLO O=[N+]([O-])c1sccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240955 460762161 /nfs/dbraw/zinc/76/21/61/460762161.db2.gz SHJMLFVITILQDF-UHFFFAOYSA-N 1 2 336.442 3.217 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000191318594 534055336 /nfs/dbraw/zinc/05/53/36/534055336.db2.gz QUTFBDLFXFBBMB-UHFFFAOYSA-N 1 2 343.387 3.230 20 5 EGBDLO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(F)F ZINC000181672864 528033682 /nfs/dbraw/zinc/03/36/82/528033682.db2.gz ABBQHOCIRPBFHH-UHFFFAOYSA-N 1 2 333.310 3.040 20 5 EGBDLO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(F)F ZINC000181672864 528033685 /nfs/dbraw/zinc/03/36/85/528033685.db2.gz ABBQHOCIRPBFHH-UHFFFAOYSA-N 1 2 333.310 3.040 20 5 EGBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc(C)cs1 ZINC000171770087 529181490 /nfs/dbraw/zinc/18/14/90/529181490.db2.gz FRAMYELNLQAFEI-CQSZACIVSA-N 1 2 349.412 3.467 20 5 EGBDLO Cc1ccc2nc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)cn2c1 ZINC000729681102 574878312 /nfs/dbraw/zinc/87/83/12/574878312.db2.gz UTZIPYMNTJKQRO-UHFFFAOYSA-N 1 2 330.775 3.494 20 5 EGBDLO Cc1ccc2[nH+]c(CNCc3cc([N+](=O)[O-])ccc3Cl)cn2c1 ZINC000729681102 574878315 /nfs/dbraw/zinc/87/83/15/574878315.db2.gz UTZIPYMNTJKQRO-UHFFFAOYSA-N 1 2 330.775 3.494 20 5 EGBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000731669926 575195962 /nfs/dbraw/zinc/19/59/62/575195962.db2.gz OAAXAJXKTMVKGG-ZDUSSCGKSA-N 1 2 335.404 3.036 20 5 EGBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000731669926 575195963 /nfs/dbraw/zinc/19/59/63/575195963.db2.gz OAAXAJXKTMVKGG-ZDUSSCGKSA-N 1 2 335.404 3.036 20 5 EGBDLO O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2[nH+]ccn2c1 ZINC000734894876 575572675 /nfs/dbraw/zinc/57/26/75/575572675.db2.gz AQDHTRUTUZIZPQ-UHFFFAOYSA-N 1 2 331.715 3.253 20 5 EGBDLO C[C@H]([N@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C(C)(C)C ZINC000140700515 1293852333 /nfs/dbraw/zinc/85/23/33/1293852333.db2.gz AOCLHQPBXQLGJD-ZDUSSCGKSA-N 1 2 344.415 3.142 20 5 EGBDLO C[C@H]([N@@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C(C)(C)C ZINC000140700515 1293852340 /nfs/dbraw/zinc/85/23/40/1293852340.db2.gz AOCLHQPBXQLGJD-ZDUSSCGKSA-N 1 2 344.415 3.142 20 5 EGBDLO C[N@H+](CCC1CCCCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000725785428 1298359703 /nfs/dbraw/zinc/35/97/03/1298359703.db2.gz DCAXHNXWTZRFAX-UHFFFAOYSA-N 1 2 345.399 3.051 20 5 EGBDLO C[N@@H+](CCC1CCCCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000725785428 1298359714 /nfs/dbraw/zinc/35/97/14/1298359714.db2.gz DCAXHNXWTZRFAX-UHFFFAOYSA-N 1 2 345.399 3.051 20 5 EGBDLO Cc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cn1 ZINC000761634349 1301512317 /nfs/dbraw/zinc/51/23/17/1301512317.db2.gz WYWCZLSDRAZKTA-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO CC[N@@H+](Cc1ccccn1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765069959 1302194835 /nfs/dbraw/zinc/19/48/35/1302194835.db2.gz FMLSKMRANSGSMN-UHFFFAOYSA-N 1 2 325.372 3.128 20 5 EGBDLO CC[N@H+](Cc1ccccn1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765069959 1302194838 /nfs/dbraw/zinc/19/48/38/1302194838.db2.gz FMLSKMRANSGSMN-UHFFFAOYSA-N 1 2 325.372 3.128 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000885965943 1303301636 /nfs/dbraw/zinc/30/16/36/1303301636.db2.gz YXDMULYMDFLDTC-QGZVFWFLSA-N 1 2 327.384 3.171 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000885965943 1303301644 /nfs/dbraw/zinc/30/16/44/1303301644.db2.gz YXDMULYMDFLDTC-QGZVFWFLSA-N 1 2 327.384 3.171 20 5 EGBDLO Cn1nnc(C[NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)n1 ZINC000785617062 1305394565 /nfs/dbraw/zinc/39/45/65/1305394565.db2.gz HUGLNEXISLMMCH-UHFFFAOYSA-N 1 2 337.814 3.460 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnc2ccccn21 ZINC000787408095 1305741414 /nfs/dbraw/zinc/74/14/14/1305741414.db2.gz YJMRWOXHHYSFJB-UVTDQMKNSA-N 1 2 337.383 3.173 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnc2ccccn21 ZINC000787408095 1305741422 /nfs/dbraw/zinc/74/14/22/1305741422.db2.gz YJMRWOXHHYSFJB-UVTDQMKNSA-N 1 2 337.383 3.173 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788743680 1306006282 /nfs/dbraw/zinc/00/62/82/1306006282.db2.gz ZWCOOGSOAMKROK-ZDUSSCGKSA-N 1 2 333.775 3.429 20 5 EGBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(N(C)C)[nH+]1 ZINC000790864237 1308876656 /nfs/dbraw/zinc/87/66/56/1308876656.db2.gz CZBXZYIKYHUFFA-UHFFFAOYSA-N 1 2 332.335 3.064 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000797514284 1310206393 /nfs/dbraw/zinc/20/63/93/1310206393.db2.gz BKJDDCLDHRCLEC-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000797514284 1310206396 /nfs/dbraw/zinc/20/63/96/1310206396.db2.gz BKJDDCLDHRCLEC-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO Cc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801507975 1310949236 /nfs/dbraw/zinc/94/92/36/1310949236.db2.gz LCFYJTZMKQIBCN-UHFFFAOYSA-N 1 2 329.375 3.365 20 5 EGBDLO Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000802658172 1317023320 /nfs/dbraw/zinc/02/33/20/1317023320.db2.gz MVRBKAIECNSBNR-UHFFFAOYSA-N 1 2 343.214 3.310 20 5 EGBDLO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000802658172 1317023329 /nfs/dbraw/zinc/02/33/29/1317023329.db2.gz MVRBKAIECNSBNR-UHFFFAOYSA-N 1 2 343.214 3.310 20 5 EGBDLO CCc1ccc([C@H](NC[C@@H]2CC[N@@H+]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319474 1317687388 /nfs/dbraw/zinc/68/73/88/1317687388.db2.gz ZVPAIYXTPPDKMN-MAUKXSAKSA-N 1 2 329.400 3.133 20 5 EGBDLO CCc1ccc([C@H](NC[C@@H]2CC[N@H+]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319474 1317687392 /nfs/dbraw/zinc/68/73/92/1317687392.db2.gz ZVPAIYXTPPDKMN-MAUKXSAKSA-N 1 2 329.400 3.133 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3)no2)cc1-n1cc[nH+]c1 ZINC000904318047 1317829629 /nfs/dbraw/zinc/82/96/29/1317829629.db2.gz MCABMSWOAZCMHE-UHFFFAOYSA-N 1 2 347.334 3.421 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000809942615 1317921663 /nfs/dbraw/zinc/92/16/63/1317921663.db2.gz LFTBUTQJYNKYQZ-SNVBAGLBSA-N 1 2 333.215 3.496 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000809942615 1317921668 /nfs/dbraw/zinc/92/16/68/1317921668.db2.gz LFTBUTQJYNKYQZ-SNVBAGLBSA-N 1 2 333.215 3.496 20 5 EGBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000843789617 1321547964 /nfs/dbraw/zinc/54/79/64/1321547964.db2.gz ZMPOKJVDBOMNBI-UHFFFAOYSA-N 1 2 346.362 3.059 20 5 EGBDLO Cc1ccccc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194148 1322096360 /nfs/dbraw/zinc/09/63/60/1322096360.db2.gz CIFHUGVPSNOSRQ-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922469805 1322535339 /nfs/dbraw/zinc/53/53/39/1322535339.db2.gz IOGIYQGALKGTPD-UHFFFAOYSA-N 1 2 333.413 3.229 20 5 EGBDLO Cc1cc(CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000922927458 1322651870 /nfs/dbraw/zinc/65/18/70/1322651870.db2.gz LEYONISOVCVHDZ-CYBMUJFWSA-N 1 2 328.372 3.167 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4ncco4)CC3)nc2c1 ZINC000931448856 1329120424 /nfs/dbraw/zinc/12/04/24/1329120424.db2.gz MNRWIIIEFBHEFJ-UHFFFAOYSA-N 1 2 328.328 3.104 20 5 EGBDLO C[NH+](C)Cc1ccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cc1 ZINC001216845166 1373349966 /nfs/dbraw/zinc/34/99/66/1373349966.db2.gz ABDBSSQNQHFIDJ-UHFFFAOYSA-N 1 2 340.339 3.079 20 5 EGBDLO CCc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000174193058 529603074 /nfs/dbraw/zinc/60/30/74/529603074.db2.gz IWGOQADVTVJEBI-UHFFFAOYSA-N 1 2 342.399 3.174 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(NCc3cccc(-n4cc[nH+]c4)c3)ccc2c1 ZINC000360342751 241918221 /nfs/dbraw/zinc/91/82/21/241918221.db2.gz NISVIQNMYSUHLS-UHFFFAOYSA-N 1 2 345.362 3.363 20 5 EGBDLO CN(Cc1csc([N+](=O)[O-])c1)Cc1[nH+]ccn1CC(F)(F)F ZINC000264129568 246092210 /nfs/dbraw/zinc/09/22/10/246092210.db2.gz WLLNCPHGKNVMKJ-UHFFFAOYSA-N 1 2 334.323 3.047 20 5 EGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000265110703 247212015 /nfs/dbraw/zinc/21/20/15/247212015.db2.gz HMJRECILOFPHOR-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000267479396 296240603 /nfs/dbraw/zinc/24/06/03/296240603.db2.gz XIBKDYVLMAYGNG-RYUDHWBXSA-N 1 2 331.338 3.224 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377691893 169061888 /nfs/dbraw/zinc/06/18/88/169061888.db2.gz FWHVXRMMCICKLC-QZTJIDSGSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377691893 169061891 /nfs/dbraw/zinc/06/18/91/169061891.db2.gz FWHVXRMMCICKLC-QZTJIDSGSA-N 1 2 334.416 3.098 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268364252 251856320 /nfs/dbraw/zinc/85/63/20/251856320.db2.gz IGUUVXMGCGVMLF-BXUZGUMPSA-N 1 2 348.790 3.168 20 5 EGBDLO COCC1=CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000187619108 533159523 /nfs/dbraw/zinc/15/95/23/533159523.db2.gz VDRNUGXTUBSJNH-UHFFFAOYSA-N 1 2 345.424 3.497 20 5 EGBDLO COCC1=CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000187619108 533159528 /nfs/dbraw/zinc/15/95/28/533159528.db2.gz VDRNUGXTUBSJNH-UHFFFAOYSA-N 1 2 345.424 3.497 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2ccoc2)c([N+](=O)[O-])cc1OC(F)F ZINC000348041813 141235786 /nfs/dbraw/zinc/23/57/86/141235786.db2.gz DSFSLNXPXJTDMW-UHFFFAOYSA-N 1 2 342.298 3.430 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2ccoc2)c([N+](=O)[O-])cc1OC(F)F ZINC000348041813 141235787 /nfs/dbraw/zinc/23/57/87/141235787.db2.gz DSFSLNXPXJTDMW-UHFFFAOYSA-N 1 2 342.298 3.430 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000116348894 152058165 /nfs/dbraw/zinc/05/81/65/152058165.db2.gz NQPLRXJQRAGXKV-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000114466942 162233660 /nfs/dbraw/zinc/23/36/60/162233660.db2.gz XJMXUQGONCTVQD-QGZVFWFLSA-N 1 2 330.359 3.216 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000114466942 162233662 /nfs/dbraw/zinc/23/36/62/162233662.db2.gz XJMXUQGONCTVQD-QGZVFWFLSA-N 1 2 330.359 3.216 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)c1 ZINC000128751281 162335145 /nfs/dbraw/zinc/33/51/45/162335145.db2.gz FLDQQFGXVYYGPY-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)c1 ZINC000128751281 162335147 /nfs/dbraw/zinc/33/51/47/162335147.db2.gz FLDQQFGXVYYGPY-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO CCCN(CCC)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343942506 164070937 /nfs/dbraw/zinc/07/09/37/164070937.db2.gz FIVHQKREDGRBEC-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CCCN(CCC)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343942506 164070938 /nfs/dbraw/zinc/07/09/38/164070938.db2.gz FIVHQKREDGRBEC-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CCCCN(CC)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343970806 164075186 /nfs/dbraw/zinc/07/51/86/164075186.db2.gz YQCOXEWFRCVFMU-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CCCCN(CC)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343970806 164075189 /nfs/dbraw/zinc/07/51/89/164075189.db2.gz YQCOXEWFRCVFMU-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO Cc1ccc(NCCCNc2cc[nH+]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000352256530 165313599 /nfs/dbraw/zinc/31/35/99/165313599.db2.gz LJTWOJVFCURJFR-UHFFFAOYSA-N 1 2 329.404 3.153 20 5 EGBDLO Cc1c(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000360524844 167348775 /nfs/dbraw/zinc/34/87/75/167348775.db2.gz LCFNHDIZQFZQFW-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc3ccccc3cc1[N+](=O)[O-])CCC2 ZINC000365034368 168014212 /nfs/dbraw/zinc/01/42/12/168014212.db2.gz JJIXOEFRKRCQME-CQSZACIVSA-N 1 2 337.383 3.059 20 5 EGBDLO Cc1cccc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000275453201 267363790 /nfs/dbraw/zinc/36/37/90/267363790.db2.gz LVWHMXWDHIQIJF-CQSZACIVSA-N 1 2 342.399 3.135 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@](=O)C1 ZINC000277589227 267823886 /nfs/dbraw/zinc/82/38/86/267823886.db2.gz USXMLEUZWZSQNW-OZAJXLCCSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@](=O)C1 ZINC000277589227 267823889 /nfs/dbraw/zinc/82/38/89/267823889.db2.gz USXMLEUZWZSQNW-OZAJXLCCSA-N 1 2 348.424 3.055 20 5 EGBDLO CCc1cc(NCCC[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000278622052 275259996 /nfs/dbraw/zinc/25/99/96/275259996.db2.gz GNWMFZNFOBKDAT-GFCCVEGCSA-N 1 2 330.388 3.187 20 5 EGBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C2CC2)O1 ZINC000279211605 275312943 /nfs/dbraw/zinc/31/29/43/275312943.db2.gz BVDSYMDQUUIOOC-SJCJKPOMSA-N 1 2 343.383 3.249 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C2CC2)O1 ZINC000279211605 275312945 /nfs/dbraw/zinc/31/29/45/275312945.db2.gz BVDSYMDQUUIOOC-SJCJKPOMSA-N 1 2 343.383 3.249 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)Cc1ccccn1 ZINC000286712396 276035824 /nfs/dbraw/zinc/03/58/24/276035824.db2.gz APHDVECIEKZRSZ-UHFFFAOYSA-N 1 2 345.399 3.037 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)Cc1ccccn1 ZINC000286712396 276035825 /nfs/dbraw/zinc/03/58/25/276035825.db2.gz APHDVECIEKZRSZ-UHFFFAOYSA-N 1 2 345.399 3.037 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC000289452213 276341108 /nfs/dbraw/zinc/34/11/08/276341108.db2.gz FQUZDCYAEZFNIR-JKSUJKDBSA-N 1 2 338.354 3.407 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC000289452213 276341109 /nfs/dbraw/zinc/34/11/09/276341109.db2.gz FQUZDCYAEZFNIR-JKSUJKDBSA-N 1 2 338.354 3.407 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000289715657 276382419 /nfs/dbraw/zinc/38/24/19/276382419.db2.gz HZQSVPFQWJOULQ-UHFFFAOYSA-N 1 2 343.387 3.176 20 5 EGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000361275670 278425460 /nfs/dbraw/zinc/42/54/60/278425460.db2.gz PRLBSSYUPNKETE-ZDUSSCGKSA-N 1 2 347.440 3.241 20 5 EGBDLO Cc1cc(N[C@H]2CS[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413513128 309035233 /nfs/dbraw/zinc/03/52/33/309035233.db2.gz IMTCPBHRBCGDKA-WCQYABFASA-N 1 2 330.413 3.088 20 5 EGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135342775 307701219 /nfs/dbraw/zinc/70/12/19/307701219.db2.gz BCWJPZDKTRIPPB-UHFFFAOYSA-N 1 2 326.287 3.376 20 5 EGBDLO CCOC(=O)c1csc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000292914548 308079543 /nfs/dbraw/zinc/07/95/43/308079543.db2.gz LBVOHVVOEFMZHI-LLVKDONJSA-N 1 2 349.412 3.387 20 5 EGBDLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293118301 308101006 /nfs/dbraw/zinc/10/10/06/308101006.db2.gz KHHBUIOAZDYARV-XHDPSFHLSA-N 1 2 335.791 3.160 20 5 EGBDLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293118301 308101008 /nfs/dbraw/zinc/10/10/08/308101008.db2.gz KHHBUIOAZDYARV-XHDPSFHLSA-N 1 2 335.791 3.160 20 5 EGBDLO CC(C)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1COC1 ZINC000294661410 308243291 /nfs/dbraw/zinc/24/32/91/308243291.db2.gz AJLRANYLWQPNTQ-UHFFFAOYSA-N 1 2 333.413 3.328 20 5 EGBDLO CC(C)[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1COC1 ZINC000294661410 308243292 /nfs/dbraw/zinc/24/32/92/308243292.db2.gz AJLRANYLWQPNTQ-UHFFFAOYSA-N 1 2 333.413 3.328 20 5 EGBDLO Cc1cc(Cl)c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000295392835 308321880 /nfs/dbraw/zinc/32/18/80/308321880.db2.gz YQSFIVFBYULDCL-LLVKDONJSA-N 1 2 348.790 3.300 20 5 EGBDLO CC(=O)c1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000295655804 308347847 /nfs/dbraw/zinc/34/78/47/308347847.db2.gz ZRROMENBVHFQPM-UHFFFAOYSA-N 1 2 339.395 3.120 20 5 EGBDLO Cc1cc(N(C)CC2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301964374 308723325 /nfs/dbraw/zinc/72/33/25/308723325.db2.gz NSNZKSJTFXOAHA-UHFFFAOYSA-N 1 2 342.399 3.223 20 5 EGBDLO Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302573501 308740056 /nfs/dbraw/zinc/74/00/56/308740056.db2.gz RAXRPKZLZKJQCX-XHSDSOJGSA-N 1 2 340.383 3.340 20 5 EGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c[nH+]c1N1CCCC[C@H]1C ZINC000332110039 308826676 /nfs/dbraw/zinc/82/66/76/308826676.db2.gz FUOWUEKXFNEJPS-GFCCVEGCSA-N 1 2 343.387 3.257 20 5 EGBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1csnn1 ZINC000412049133 308965753 /nfs/dbraw/zinc/96/57/53/308965753.db2.gz YKXBOOPUQGRYAI-ZETCQYMHSA-N 1 2 332.307 3.316 20 5 EGBDLO CCOC(=O)CC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413046981 309013194 /nfs/dbraw/zinc/01/31/94/309013194.db2.gz QNIRJOUGUBPFTO-UHFFFAOYSA-N 1 2 343.383 3.313 20 5 EGBDLO CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c[nH+]1 ZINC000413055570 309013698 /nfs/dbraw/zinc/01/36/98/309013698.db2.gz TUVWHWDHGVZYEK-UHFFFAOYSA-N 1 2 341.293 3.082 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCOC4(CCOCC4)C3)c2c1 ZINC000413192957 309020600 /nfs/dbraw/zinc/02/06/00/309020600.db2.gz KDGAHSPZPWQMIJ-AWEZNQCLSA-N 1 2 343.383 3.283 20 5 EGBDLO CC(C)[C@]1(CO)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413289947 309025399 /nfs/dbraw/zinc/02/53/99/309025399.db2.gz BDEDEXYUHCUGRT-GOSISDBHSA-N 1 2 329.400 3.378 20 5 EGBDLO CC(C)([NH2+]Cc1nncn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429238148 309574625 /nfs/dbraw/zinc/57/46/25/309574625.db2.gz QUIJOVVSXBGYHY-UHFFFAOYSA-N 1 2 337.383 3.200 20 5 EGBDLO CN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448823172 310019637 /nfs/dbraw/zinc/01/96/37/310019637.db2.gz NEDUNONTRJESJB-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO CC(C)OCc1nc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC000449335904 310054303 /nfs/dbraw/zinc/05/43/03/310054303.db2.gz MDDGERKEERBYSK-OLZOCXBDSA-N 1 2 348.403 3.185 20 5 EGBDLO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2nccn21 ZINC000449572335 310073084 /nfs/dbraw/zinc/07/30/84/310073084.db2.gz MWVXVVTUFOQFCM-SKDRFNHKSA-N 1 2 338.314 3.188 20 5 EGBDLO CC(C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449925307 310094322 /nfs/dbraw/zinc/09/43/22/310094322.db2.gz JRNOACXLJXQAMZ-HNNXBMFYSA-N 1 2 342.399 3.431 20 5 EGBDLO CN(C)c1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)[nH+]c2ccccc21 ZINC000450383271 310119505 /nfs/dbraw/zinc/11/95/05/310119505.db2.gz ZORQGHORKNCKTF-UHFFFAOYSA-N 1 2 349.394 3.167 20 5 EGBDLO C[C@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450726047 310139518 /nfs/dbraw/zinc/13/95/18/310139518.db2.gz UEQUPMYOQLERCR-ZDUSSCGKSA-N 1 2 328.372 3.043 20 5 EGBDLO Cc1cc(NCCC[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450888807 310148038 /nfs/dbraw/zinc/14/80/38/310148038.db2.gz ONLFTXUJBOLBHS-CQSZACIVSA-N 1 2 342.399 3.011 20 5 EGBDLO CCC(CC)N(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452156439 310215282 /nfs/dbraw/zinc/21/52/82/310215282.db2.gz CNPCUQQSSLQFPW-UHFFFAOYSA-N 1 2 330.388 3.431 20 5 EGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ncccc2OC)cc1[N+](=O)[O-] ZINC000453381418 310273951 /nfs/dbraw/zinc/27/39/51/310273951.db2.gz YKLDSUIWBRDMPS-LBPRGKRZSA-N 1 2 331.372 3.248 20 5 EGBDLO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc21 ZINC000456291036 310396747 /nfs/dbraw/zinc/39/67/47/310396747.db2.gz YPHPGBOUUOVURF-INIZCTEOSA-N 1 2 341.367 3.102 20 5 EGBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490052737 311131622 /nfs/dbraw/zinc/13/16/22/311131622.db2.gz HSMAOMAWUJUMTD-HNNXBMFYSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490052737 311131623 /nfs/dbraw/zinc/13/16/23/311131623.db2.gz HSMAOMAWUJUMTD-HNNXBMFYSA-N 1 2 347.459 3.452 20 5 EGBDLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000504556865 312007830 /nfs/dbraw/zinc/00/78/30/312007830.db2.gz XLHFBYJQZXZOAQ-UHFFFAOYSA-N 1 2 345.424 3.034 20 5 EGBDLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000504556865 312007832 /nfs/dbraw/zinc/00/78/32/312007832.db2.gz XLHFBYJQZXZOAQ-UHFFFAOYSA-N 1 2 345.424 3.034 20 5 EGBDLO Cc1cccn2cc(Cc3nc(-c4ccc([N+](=O)[O-])s4)no3)[nH+]c12 ZINC000517069935 312362018 /nfs/dbraw/zinc/36/20/18/312362018.db2.gz XXLIVFGEYADJOA-UHFFFAOYSA-N 1 2 341.352 3.253 20 5 EGBDLO CC(C)Oc1nc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000518216430 312408676 /nfs/dbraw/zinc/40/86/76/312408676.db2.gz KJLGALVNQLROTM-AWEZNQCLSA-N 1 2 345.403 3.098 20 5 EGBDLO COc1cc(F)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000565081916 316261776 /nfs/dbraw/zinc/26/17/76/316261776.db2.gz WCVSKAJOQRBZIL-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc(F)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000565081916 316261779 /nfs/dbraw/zinc/26/17/79/316261779.db2.gz WCVSKAJOQRBZIL-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000578931532 325037844 /nfs/dbraw/zinc/03/78/44/325037844.db2.gz BGALGFZGPQXFCL-UHFFFAOYSA-N 1 2 338.367 3.295 20 5 EGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000580902548 325307932 /nfs/dbraw/zinc/30/79/32/325307932.db2.gz JUWUNKKVTNQEFN-BXKDBHETSA-N 1 2 347.396 3.176 20 5 EGBDLO Cn1ncc2c1nc[nH+]c2SCc1ccc([N+](=O)[O-])cc1Cl ZINC000180950915 455268414 /nfs/dbraw/zinc/26/84/14/455268414.db2.gz PEZNSIOBTATPRM-UHFFFAOYSA-N 1 2 335.776 3.217 20 5 EGBDLO COc1cc(CNc2cc(C(F)(F)F)cc[nH+]2)cc([N+](=O)[O-])c1O ZINC000184045219 455349257 /nfs/dbraw/zinc/34/92/57/455349257.db2.gz MHHDNBRMIABQLH-UHFFFAOYSA-N 1 2 343.261 3.335 20 5 EGBDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021917977 453683879 /nfs/dbraw/zinc/68/38/79/453683879.db2.gz ASPDZJBOLFCDFV-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021917977 453683880 /nfs/dbraw/zinc/68/38/80/453683880.db2.gz ASPDZJBOLFCDFV-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO CCn1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000616786093 460618571 /nfs/dbraw/zinc/61/85/71/460618571.db2.gz GYXPHYHQRAZUMQ-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO CCn1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000616786093 460618576 /nfs/dbraw/zinc/61/85/76/460618576.db2.gz GYXPHYHQRAZUMQ-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026739471 453804572 /nfs/dbraw/zinc/80/45/72/453804572.db2.gz MZCKKYLMWFMSDI-HNNXBMFYSA-N 1 2 341.411 3.246 20 5 EGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026739471 453804575 /nfs/dbraw/zinc/80/45/75/453804575.db2.gz MZCKKYLMWFMSDI-HNNXBMFYSA-N 1 2 341.411 3.246 20 5 EGBDLO O=[N+]([O-])c1ccccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000029844875 453832073 /nfs/dbraw/zinc/83/20/73/453832073.db2.gz NSXOFRCFTPKMDM-KRWDZBQOSA-N 1 2 327.384 3.080 20 5 EGBDLO CNc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000052909533 453849207 /nfs/dbraw/zinc/84/92/07/453849207.db2.gz WDZZMKJRNFLILC-UHFFFAOYSA-N 1 2 337.339 3.075 20 5 EGBDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000053125067 453859694 /nfs/dbraw/zinc/85/96/94/453859694.db2.gz UITJTAORLHURQK-ZDUSSCGKSA-N 1 2 345.374 3.390 20 5 EGBDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000053125067 453859698 /nfs/dbraw/zinc/85/96/98/453859698.db2.gz UITJTAORLHURQK-ZDUSSCGKSA-N 1 2 345.374 3.390 20 5 EGBDLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000055053230 453959104 /nfs/dbraw/zinc/95/91/04/453959104.db2.gz ZXZCDJZMAIMUMF-UHFFFAOYSA-N 1 2 337.763 3.220 20 5 EGBDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000055053230 453959109 /nfs/dbraw/zinc/95/91/09/453959109.db2.gz ZXZCDJZMAIMUMF-UHFFFAOYSA-N 1 2 337.763 3.220 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000076118832 453966640 /nfs/dbraw/zinc/96/66/40/453966640.db2.gz XBLYZSFJPXDAJN-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000076118832 453966642 /nfs/dbraw/zinc/96/66/42/453966642.db2.gz XBLYZSFJPXDAJN-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO Cc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000055696687 454007046 /nfs/dbraw/zinc/00/70/46/454007046.db2.gz UBICZUYDPODMSD-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000068838193 454059056 /nfs/dbraw/zinc/05/90/56/454059056.db2.gz YGBMOELFYTVUPM-NSHDSACASA-N 1 2 325.796 3.309 20 5 EGBDLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000068838193 454059060 /nfs/dbraw/zinc/05/90/60/454059060.db2.gz YGBMOELFYTVUPM-NSHDSACASA-N 1 2 325.796 3.309 20 5 EGBDLO COc1ccnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1OC ZINC000191026426 455427221 /nfs/dbraw/zinc/42/72/21/455427221.db2.gz KMLMAMLQKIGZQB-UHFFFAOYSA-N 1 2 343.383 3.172 20 5 EGBDLO COc1ccnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1OC ZINC000191026426 455427225 /nfs/dbraw/zinc/42/72/25/455427225.db2.gz KMLMAMLQKIGZQB-UHFFFAOYSA-N 1 2 343.383 3.172 20 5 EGBDLO COc1cc[nH+]c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1OC ZINC000191026426 455427227 /nfs/dbraw/zinc/42/72/27/455427227.db2.gz KMLMAMLQKIGZQB-UHFFFAOYSA-N 1 2 343.383 3.172 20 5 EGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(F)cc1 ZINC000130919520 454225880 /nfs/dbraw/zinc/22/58/80/454225880.db2.gz VEGDOLYONDXESX-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccc(F)cc1 ZINC000130919520 454225888 /nfs/dbraw/zinc/22/58/88/454225888.db2.gz VEGDOLYONDXESX-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000089897334 454228463 /nfs/dbraw/zinc/22/84/63/454228463.db2.gz IAQZPQBRQAPVQX-BLLLJJGKSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000089897334 454228465 /nfs/dbraw/zinc/22/84/65/454228465.db2.gz IAQZPQBRQAPVQX-BLLLJJGKSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000089897335 454228751 /nfs/dbraw/zinc/22/87/51/454228751.db2.gz IAQZPQBRQAPVQX-LRDDRELGSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000089897335 454228757 /nfs/dbraw/zinc/22/87/57/454228757.db2.gz IAQZPQBRQAPVQX-LRDDRELGSA-N 1 2 331.372 3.249 20 5 EGBDLO CCOc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000120168204 454267679 /nfs/dbraw/zinc/26/76/79/454267679.db2.gz QHHWBDSRPWKUQD-CYBMUJFWSA-N 1 2 344.371 3.084 20 5 EGBDLO Cc1cc(N[C@H](CO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078661494 454293745 /nfs/dbraw/zinc/29/37/45/454293745.db2.gz OSXWWSICNGATEU-AWEZNQCLSA-N 1 2 330.388 3.179 20 5 EGBDLO COc1cc(NCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])cc1OC ZINC000091628491 454452240 /nfs/dbraw/zinc/45/22/40/454452240.db2.gz KJOLGRDRORCKGI-UHFFFAOYSA-N 1 2 342.355 3.180 20 5 EGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000121786909 454476305 /nfs/dbraw/zinc/47/63/05/454476305.db2.gz IRDAUROQGRMKPS-UHFFFAOYSA-N 1 2 336.351 3.352 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000065164735 454535020 /nfs/dbraw/zinc/53/50/20/454535020.db2.gz IILXKIVOYKKUPM-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000065164735 454535022 /nfs/dbraw/zinc/53/50/22/454535022.db2.gz IILXKIVOYKKUPM-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092971813 454662445 /nfs/dbraw/zinc/66/24/45/454662445.db2.gz PSCBXZRWRTUWTN-MFKMUULPSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092971813 454662451 /nfs/dbraw/zinc/66/24/51/454662451.db2.gz PSCBXZRWRTUWTN-MFKMUULPSA-N 1 2 343.221 3.093 20 5 EGBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135646504 454695901 /nfs/dbraw/zinc/69/59/01/454695901.db2.gz QOIHCSPXKKMEMO-AWEZNQCLSA-N 1 2 334.807 3.491 20 5 EGBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135646504 454695904 /nfs/dbraw/zinc/69/59/04/454695904.db2.gz QOIHCSPXKKMEMO-AWEZNQCLSA-N 1 2 334.807 3.491 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000093818230 454737390 /nfs/dbraw/zinc/73/73/90/454737390.db2.gz SSNWFHMVKZXBHK-UHFFFAOYSA-N 1 2 334.416 3.472 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153267795 454776813 /nfs/dbraw/zinc/77/68/13/454776813.db2.gz QTDDHBGPZYMSQN-MRXNPFEDSA-N 1 2 345.443 3.350 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153267795 454776814 /nfs/dbraw/zinc/77/68/14/454776814.db2.gz QTDDHBGPZYMSQN-MRXNPFEDSA-N 1 2 345.443 3.350 20 5 EGBDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109785091 454836959 /nfs/dbraw/zinc/83/69/59/454836959.db2.gz PNTLVBITWXOOOC-GFCCVEGCSA-N 1 2 344.367 3.360 20 5 EGBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109785091 454836962 /nfs/dbraw/zinc/83/69/62/454836962.db2.gz PNTLVBITWXOOOC-GFCCVEGCSA-N 1 2 344.367 3.360 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000126181045 454875900 /nfs/dbraw/zinc/87/59/00/454875900.db2.gz QTMRGTPYCJWKGC-LJQANCHMSA-N 1 2 342.395 3.356 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000126181045 454875905 /nfs/dbraw/zinc/87/59/05/454875905.db2.gz QTMRGTPYCJWKGC-LJQANCHMSA-N 1 2 342.395 3.356 20 5 EGBDLO CC(C)(C)CCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130086917 455141972 /nfs/dbraw/zinc/14/19/72/455141972.db2.gz DBPWBOVZCADWJU-UHFFFAOYSA-N 1 2 333.432 3.112 20 5 EGBDLO CC(C)(C)CCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130086917 455141977 /nfs/dbraw/zinc/14/19/77/455141977.db2.gz DBPWBOVZCADWJU-UHFFFAOYSA-N 1 2 333.432 3.112 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC(F)(F)CO)s2)cc1 ZINC000183882987 455336269 /nfs/dbraw/zinc/33/62/69/455336269.db2.gz OQKSGJNKJMYVRV-UHFFFAOYSA-N 1 2 328.340 3.041 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000268364255 455662502 /nfs/dbraw/zinc/66/25/02/455662502.db2.gz IGUUVXMGCGVMLF-FZMZJTMJSA-N 1 2 348.790 3.168 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2cccnc2[N+](=O)[O-])C3)cc1 ZINC000616997568 460696933 /nfs/dbraw/zinc/69/69/33/460696933.db2.gz FKPACIGHARIZID-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285703113 455899971 /nfs/dbraw/zinc/89/99/71/455899971.db2.gz PDQWBMGIOCDIMR-UHFFFAOYSA-N 1 2 334.332 3.133 20 5 EGBDLO Cc1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000272342835 455919525 /nfs/dbraw/zinc/91/95/25/455919525.db2.gz NCOVMAHKXGHZDQ-LBPRGKRZSA-N 1 2 329.360 3.038 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOCC34CCCC4)co2)cc1 ZINC000270652213 456005813 /nfs/dbraw/zinc/00/58/13/456005813.db2.gz OWRUHSXGHPUFTI-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOCC34CCCC4)co2)cc1 ZINC000270652213 456005814 /nfs/dbraw/zinc/00/58/14/456005814.db2.gz OWRUHSXGHPUFTI-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO Cc1cnc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)s1 ZINC000332423310 456074679 /nfs/dbraw/zinc/07/46/79/456074679.db2.gz ARZAQYRBTNFFMD-UHFFFAOYSA-N 1 2 333.413 3.445 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000263768620 456217744 /nfs/dbraw/zinc/21/77/44/456217744.db2.gz SDMBPFAJQWFWTG-CQSZACIVSA-N 1 2 342.399 3.135 20 5 EGBDLO Cc1cc(NCC2(O)CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301801934 456217928 /nfs/dbraw/zinc/21/79/28/456217928.db2.gz ABHRMSLAGAKHET-UHFFFAOYSA-N 1 2 342.399 3.467 20 5 EGBDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000353268854 456598907 /nfs/dbraw/zinc/59/89/07/456598907.db2.gz SKHBNYBVHGPNAJ-AWEZNQCLSA-N 1 2 345.424 3.034 20 5 EGBDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000353268854 456598915 /nfs/dbraw/zinc/59/89/15/456598915.db2.gz SKHBNYBVHGPNAJ-AWEZNQCLSA-N 1 2 345.424 3.034 20 5 EGBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299476830 456704974 /nfs/dbraw/zinc/70/49/74/456704974.db2.gz BUYQBCXLALWCHB-AWEZNQCLSA-N 1 2 339.355 3.167 20 5 EGBDLO CN(C(=O)C[N@@H+]1CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000348525596 456736604 /nfs/dbraw/zinc/73/66/04/456736604.db2.gz OCGHKCNCRIHXIJ-QGZVFWFLSA-N 1 2 325.368 3.005 20 5 EGBDLO CN(C(=O)C[N@H+]1CC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000348525596 456736613 /nfs/dbraw/zinc/73/66/13/456736613.db2.gz OCGHKCNCRIHXIJ-QGZVFWFLSA-N 1 2 325.368 3.005 20 5 EGBDLO CC(C)[N@H+](Cc1ncnn1C(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000283332248 456760568 /nfs/dbraw/zinc/76/05/68/456760568.db2.gz AHEWPGDBOCYOOI-UHFFFAOYSA-N 1 2 331.420 3.352 20 5 EGBDLO CC(C)[N@@H+](Cc1ncnn1C(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000283332248 456760571 /nfs/dbraw/zinc/76/05/71/456760571.db2.gz AHEWPGDBOCYOOI-UHFFFAOYSA-N 1 2 331.420 3.352 20 5 EGBDLO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000344111900 456799329 /nfs/dbraw/zinc/79/93/29/456799329.db2.gz RHFRBBMIAZXXIV-CQSZACIVSA-N 1 2 342.399 3.289 20 5 EGBDLO CC(C)CSCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353631242 456816205 /nfs/dbraw/zinc/81/62/05/456816205.db2.gz KITCBYDEYAPZRC-MRXNPFEDSA-N 1 2 348.472 3.397 20 5 EGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000283780748 456838256 /nfs/dbraw/zinc/83/82/56/456838256.db2.gz RCUBDSAWPYIUJD-CABCVRRESA-N 1 2 342.374 3.288 20 5 EGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000283780748 456838263 /nfs/dbraw/zinc/83/82/63/456838263.db2.gz RCUBDSAWPYIUJD-CABCVRRESA-N 1 2 342.374 3.288 20 5 EGBDLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353669290 456844668 /nfs/dbraw/zinc/84/46/68/456844668.db2.gz IGVMGKSELSKZTD-GXFFZTMASA-N 1 2 342.321 3.206 20 5 EGBDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339098155 456939644 /nfs/dbraw/zinc/93/96/44/456939644.db2.gz ZOLKEVDXNPUCBZ-UHFFFAOYSA-N 1 2 340.383 3.212 20 5 EGBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000353885903 456951297 /nfs/dbraw/zinc/95/12/97/456951297.db2.gz UMVFDEDWHXGLOY-KRWDZBQOSA-N 1 2 341.411 3.401 20 5 EGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000353885903 456951300 /nfs/dbraw/zinc/95/13/00/456951300.db2.gz UMVFDEDWHXGLOY-KRWDZBQOSA-N 1 2 341.411 3.401 20 5 EGBDLO Cc1ccc(Cc2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000356151239 457489180 /nfs/dbraw/zinc/48/91/80/457489180.db2.gz NZJNVSCFONMUAC-UHFFFAOYSA-N 1 2 346.293 3.412 20 5 EGBDLO C[C@H]1SCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccccc1 ZINC000370055809 457519409 /nfs/dbraw/zinc/51/94/09/457519409.db2.gz NEISFICYOIBRAG-DOMZBBRYSA-N 1 2 332.429 3.007 20 5 EGBDLO C[C@H]1SCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccccc1 ZINC000370055809 457519417 /nfs/dbraw/zinc/51/94/17/457519417.db2.gz NEISFICYOIBRAG-DOMZBBRYSA-N 1 2 332.429 3.007 20 5 EGBDLO CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425438091 457553774 /nfs/dbraw/zinc/55/37/74/457553774.db2.gz AAXZSMHIJOWNJX-GWCFXTLKSA-N 1 2 343.221 3.357 20 5 EGBDLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425438091 457553778 /nfs/dbraw/zinc/55/37/78/457553778.db2.gz AAXZSMHIJOWNJX-GWCFXTLKSA-N 1 2 343.221 3.357 20 5 EGBDLO COc1cc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])cc1F ZINC000361188327 457636959 /nfs/dbraw/zinc/63/69/59/457636959.db2.gz NBGUZJAEAAZGKA-NSHDSACASA-N 1 2 334.351 3.237 20 5 EGBDLO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1-c1ccccc1 ZINC000358017631 457740332 /nfs/dbraw/zinc/74/03/32/457740332.db2.gz HZBHGYJBGRENAK-ZDUSSCGKSA-N 1 2 337.383 3.335 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000366578012 457858738 /nfs/dbraw/zinc/85/87/38/457858738.db2.gz KUQXBZSSXBOOFS-UHFFFAOYSA-N 1 2 329.747 3.441 20 5 EGBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375928442 458127479 /nfs/dbraw/zinc/12/74/79/458127479.db2.gz AKJKUGRXCOEMII-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375928442 458127486 /nfs/dbraw/zinc/12/74/86/458127486.db2.gz AKJKUGRXCOEMII-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO COc1ccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429183579 458288763 /nfs/dbraw/zinc/28/87/63/458288763.db2.gz FYOHJYJZTVUJAX-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429183579 458288771 /nfs/dbraw/zinc/28/87/71/458288771.db2.gz FYOHJYJZTVUJAX-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2cccc(C)c2C1 ZINC000429576851 458347982 /nfs/dbraw/zinc/34/79/82/458347982.db2.gz IBGJQUVLYCLFKI-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2cccc(C)c2C1 ZINC000429576851 458347987 /nfs/dbraw/zinc/34/79/87/458347987.db2.gz IBGJQUVLYCLFKI-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459491300 458389615 /nfs/dbraw/zinc/38/96/15/458389615.db2.gz CQRJMYCUQBHLQJ-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000430231699 458424919 /nfs/dbraw/zinc/42/49/19/458424919.db2.gz ZCHXCGVJJBBKHI-KRWDZBQOSA-N 1 2 346.383 3.378 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000430231699 458424925 /nfs/dbraw/zinc/42/49/25/458424925.db2.gz ZCHXCGVJJBBKHI-KRWDZBQOSA-N 1 2 346.383 3.378 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437579025 458470461 /nfs/dbraw/zinc/47/04/61/458470461.db2.gz ORJJYMFPJMIHLX-CZUORRHYSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437579025 458470464 /nfs/dbraw/zinc/47/04/64/458470464.db2.gz ORJJYMFPJMIHLX-CZUORRHYSA-N 1 2 325.368 3.369 20 5 EGBDLO CCc1ncsc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000437817385 458497253 /nfs/dbraw/zinc/49/72/53/458497253.db2.gz SYSFNADXGOIBBM-UHFFFAOYSA-N 1 2 343.368 3.052 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000470177010 458620655 /nfs/dbraw/zinc/62/06/55/458620655.db2.gz ZWNVMCIXRMHCCX-QINSGFPZSA-N 1 2 345.443 3.188 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000462637235 458637299 /nfs/dbraw/zinc/63/72/99/458637299.db2.gz JVMOJTRKBVOKBE-CQSZACIVSA-N 1 2 327.384 3.182 20 5 EGBDLO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C(F)(F)C2)cccc1[N+](=O)[O-] ZINC000494243876 458645860 /nfs/dbraw/zinc/64/58/60/458645860.db2.gz DOLZPGPYKNPXFG-LLVKDONJSA-N 1 2 341.358 3.209 20 5 EGBDLO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)C(F)(F)C2)cccc1[N+](=O)[O-] ZINC000494243876 458645864 /nfs/dbraw/zinc/64/58/64/458645864.db2.gz DOLZPGPYKNPXFG-LLVKDONJSA-N 1 2 341.358 3.209 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456371023 458651170 /nfs/dbraw/zinc/65/11/70/458651170.db2.gz DQTJKWYCHZUEFQ-RYUDHWBXSA-N 1 2 348.428 3.169 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3ccccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000530375043 458757419 /nfs/dbraw/zinc/75/74/19/458757419.db2.gz ANRZYZUYUGZNMH-CHWSQXEVSA-N 1 2 328.372 3.347 20 5 EGBDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000466923540 458935209 /nfs/dbraw/zinc/93/52/09/458935209.db2.gz CQBRMZCZRSSICF-INIZCTEOSA-N 1 2 339.395 3.370 20 5 EGBDLO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000466923540 458935216 /nfs/dbraw/zinc/93/52/16/458935216.db2.gz CQBRMZCZRSSICF-INIZCTEOSA-N 1 2 339.395 3.370 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475069 458944527 /nfs/dbraw/zinc/94/45/27/458944527.db2.gz JRZFGDUDAPLHFL-HUUCEWRRSA-N 1 2 341.415 3.422 20 5 EGBDLO CC[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000468137283 459006101 /nfs/dbraw/zinc/00/61/01/459006101.db2.gz DMNLMWCJWIHCHF-OAHLLOKOSA-N 1 2 325.796 3.309 20 5 EGBDLO CC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000468137283 459006105 /nfs/dbraw/zinc/00/61/05/459006105.db2.gz DMNLMWCJWIHCHF-OAHLLOKOSA-N 1 2 325.796 3.309 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC2(CCC2)CC1 ZINC000590759543 459208658 /nfs/dbraw/zinc/20/86/58/459208658.db2.gz QOFOAMWQHCJXBH-UHFFFAOYSA-N 1 2 340.383 3.187 20 5 EGBDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595288355 459268008 /nfs/dbraw/zinc/26/80/08/459268008.db2.gz ZFPXESROPAESLP-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595288355 459268013 /nfs/dbraw/zinc/26/80/13/459268013.db2.gz ZFPXESROPAESLP-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO Cc1noc(C[N@@H+](C)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595292636 459269603 /nfs/dbraw/zinc/26/96/03/459269603.db2.gz BTVKUGKHIYIFRH-UHFFFAOYSA-N 1 2 340.177 3.286 20 5 EGBDLO Cc1noc(C[N@H+](C)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000595292636 459269609 /nfs/dbraw/zinc/26/96/09/459269609.db2.gz BTVKUGKHIYIFRH-UHFFFAOYSA-N 1 2 340.177 3.286 20 5 EGBDLO Cc1noc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595295021 459269647 /nfs/dbraw/zinc/26/96/47/459269647.db2.gz FZIFILMTVDFJIV-HNNXBMFYSA-N 1 2 331.372 3.072 20 5 EGBDLO Cc1noc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595295021 459269654 /nfs/dbraw/zinc/26/96/54/459269654.db2.gz FZIFILMTVDFJIV-HNNXBMFYSA-N 1 2 331.372 3.072 20 5 EGBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595329635 459278487 /nfs/dbraw/zinc/27/84/87/459278487.db2.gz HONBRNVSOUVESZ-CQSZACIVSA-N 1 2 344.390 3.008 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566167 459349971 /nfs/dbraw/zinc/34/99/71/459349971.db2.gz MBYPTCXIUOBBEY-ZETOZRRWSA-N 1 2 337.807 3.450 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566167 459349973 /nfs/dbraw/zinc/34/99/73/459349973.db2.gz MBYPTCXIUOBBEY-ZETOZRRWSA-N 1 2 337.807 3.450 20 5 EGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC000595759815 459428048 /nfs/dbraw/zinc/42/80/48/459428048.db2.gz QIQAAMZBQGZXMR-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc2c(c1)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC000595759815 459428053 /nfs/dbraw/zinc/42/80/53/459428053.db2.gz QIQAAMZBQGZXMR-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1c(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cccc1[N+](=O)[O-] ZINC000526972804 459569129 /nfs/dbraw/zinc/56/91/29/459569129.db2.gz BMKRLOPOTBSAEQ-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000542630685 459575475 /nfs/dbraw/zinc/57/54/75/459575475.db2.gz JFHVOUVQXUQURY-IBGZPJMESA-N 1 2 326.396 3.428 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000542630685 459575481 /nfs/dbraw/zinc/57/54/81/459575481.db2.gz JFHVOUVQXUQURY-IBGZPJMESA-N 1 2 326.396 3.428 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596358018 459606758 /nfs/dbraw/zinc/60/67/58/459606758.db2.gz VWAMAMPAUBFTFF-UHFFFAOYSA-N 1 2 333.779 3.251 20 5 EGBDLO CC(C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@]1(O)CCCOC1 ZINC000596529465 459668203 /nfs/dbraw/zinc/66/82/03/459668203.db2.gz ACIRLTGFYRRMAL-SFHVURJKSA-N 1 2 345.399 3.123 20 5 EGBDLO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000501075930 459710109 /nfs/dbraw/zinc/71/01/09/459710109.db2.gz FTMTUJBSRBMPFF-MAUKXSAKSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000501075930 459710113 /nfs/dbraw/zinc/71/01/13/459710113.db2.gz FTMTUJBSRBMPFF-MAUKXSAKSA-N 1 2 342.395 3.436 20 5 EGBDLO CC(C)n1cc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000544468972 459762977 /nfs/dbraw/zinc/76/29/77/459762977.db2.gz QIGOXEZTYSHFEL-NSHDSACASA-N 1 2 329.360 3.364 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC2(CCC2)CC1 ZINC000588075791 459909222 /nfs/dbraw/zinc/90/92/22/459909222.db2.gz ATQYRHKCQUDVED-UHFFFAOYSA-N 1 2 345.443 3.198 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCc2sccc2C1 ZINC000609322809 459943697 /nfs/dbraw/zinc/94/36/97/459943697.db2.gz MDANKAGMQNEXBA-LBPRGKRZSA-N 1 2 345.424 3.432 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCc2sccc2C1 ZINC000609322809 459943706 /nfs/dbraw/zinc/94/37/06/459943706.db2.gz MDANKAGMQNEXBA-LBPRGKRZSA-N 1 2 345.424 3.432 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H](CCO)C2)cc1Br ZINC000602465323 459950249 /nfs/dbraw/zinc/95/02/49/459950249.db2.gz PGIGBFSLUIXXAM-SECBINFHSA-N 1 2 349.250 3.013 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H](CCO)C2)cc1Br ZINC000602465323 459950257 /nfs/dbraw/zinc/95/02/57/459950257.db2.gz PGIGBFSLUIXXAM-SECBINFHSA-N 1 2 349.250 3.013 20 5 EGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618291160 459958943 /nfs/dbraw/zinc/95/89/43/459958943.db2.gz QTGURAASVDPLAF-OAHLLOKOSA-N 1 2 340.387 3.148 20 5 EGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618291160 459958950 /nfs/dbraw/zinc/95/89/50/459958950.db2.gz QTGURAASVDPLAF-OAHLLOKOSA-N 1 2 340.387 3.148 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1Br ZINC000602484547 459961133 /nfs/dbraw/zinc/96/11/33/459961133.db2.gz OHKHBCOSURVFTP-LBPRGKRZSA-N 1 2 347.234 3.031 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1Br ZINC000602484547 459961140 /nfs/dbraw/zinc/96/11/40/459961140.db2.gz OHKHBCOSURVFTP-LBPRGKRZSA-N 1 2 347.234 3.031 20 5 EGBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)CO1 ZINC000609671549 460006645 /nfs/dbraw/zinc/00/66/45/460006645.db2.gz FGFNVPPTJOTDOK-UHFFFAOYSA-N 1 2 346.387 3.034 20 5 EGBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)(C)CO1 ZINC000609671549 460006648 /nfs/dbraw/zinc/00/66/48/460006648.db2.gz FGFNVPPTJOTDOK-UHFFFAOYSA-N 1 2 346.387 3.034 20 5 EGBDLO CO[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000602653271 460045264 /nfs/dbraw/zinc/04/52/64/460045264.db2.gz CPWGDGZXXNQYJN-DTWKUNHWSA-N 1 2 349.250 3.418 20 5 EGBDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000602653271 460045268 /nfs/dbraw/zinc/04/52/68/460045268.db2.gz CPWGDGZXXNQYJN-DTWKUNHWSA-N 1 2 349.250 3.418 20 5 EGBDLO COc1cccc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1[N+](=O)[O-] ZINC000575980266 460045335 /nfs/dbraw/zinc/04/53/35/460045335.db2.gz MOVFWLOFMJCGGJ-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO COC[C@@]1(C)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602675873 460060039 /nfs/dbraw/zinc/06/00/39/460060039.db2.gz WJUXRCNMPIQJEW-LBPRGKRZSA-N 1 2 349.250 3.277 20 5 EGBDLO COC[C@@]1(C)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602675873 460060028 /nfs/dbraw/zinc/06/00/28/460060028.db2.gz WJUXRCNMPIQJEW-LBPRGKRZSA-N 1 2 349.250 3.277 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]1c1ccccc1)OCCO2 ZINC000610930493 460261978 /nfs/dbraw/zinc/26/19/78/460261978.db2.gz WGDFFJVENBAROD-OAHLLOKOSA-N 1 2 326.352 3.313 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H]1c1ccccc1)OCCO2 ZINC000610930493 460261981 /nfs/dbraw/zinc/26/19/81/460261981.db2.gz WGDFFJVENBAROD-OAHLLOKOSA-N 1 2 326.352 3.313 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511891 460265357 /nfs/dbraw/zinc/26/53/57/460265357.db2.gz CTYIAKMYBDZZIR-TUAOUCFPSA-N 1 2 341.358 3.145 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511891 460265361 /nfs/dbraw/zinc/26/53/61/460265361.db2.gz CTYIAKMYBDZZIR-TUAOUCFPSA-N 1 2 341.358 3.145 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]1c1cccc(F)c1)OCCO2 ZINC000611274510 460326010 /nfs/dbraw/zinc/32/60/10/460326010.db2.gz GSGVWVOQJIDFNP-HNNXBMFYSA-N 1 2 344.342 3.452 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H]1c1cccc(F)c1)OCCO2 ZINC000611274510 460326017 /nfs/dbraw/zinc/32/60/17/460326017.db2.gz GSGVWVOQJIDFNP-HNNXBMFYSA-N 1 2 344.342 3.452 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000611560868 460399787 /nfs/dbraw/zinc/39/97/87/460399787.db2.gz UJMPUSOSXRKVMT-OCCSQVGLSA-N 1 2 336.342 3.195 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000611560869 460400400 /nfs/dbraw/zinc/40/04/00/460400400.db2.gz UJMPUSOSXRKVMT-TZMCWYRMSA-N 1 2 336.342 3.195 20 5 EGBDLO Cc1c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000741800422 576723424 /nfs/dbraw/zinc/72/34/24/576723424.db2.gz ZUPIBNYWVSDBAE-CYBMUJFWSA-N 1 2 349.431 3.344 20 5 EGBDLO Cc1c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000741800422 576723425 /nfs/dbraw/zinc/72/34/25/576723425.db2.gz ZUPIBNYWVSDBAE-CYBMUJFWSA-N 1 2 349.431 3.344 20 5 EGBDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000742365366 576773470 /nfs/dbraw/zinc/77/34/70/576773470.db2.gz PPXHYMJVDYRXOC-JTQLQIEISA-N 1 2 329.784 3.308 20 5 EGBDLO CCC[C@]1(C)CCC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743404011 576808620 /nfs/dbraw/zinc/80/86/20/576808620.db2.gz FWHRJDYSECJIMX-CYBMUJFWSA-N 1 2 345.241 3.414 20 5 EGBDLO CCC[C@]1(C)CCC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743404011 576808621 /nfs/dbraw/zinc/80/86/21/576808621.db2.gz FWHRJDYSECJIMX-CYBMUJFWSA-N 1 2 345.241 3.414 20 5 EGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH2+]C1(c2ccccc2)CCC1 ZINC000103264545 1293000084 /nfs/dbraw/zinc/00/00/84/1293000084.db2.gz YYKBUMZQJMAOQJ-UHFFFAOYSA-N 1 2 339.351 3.129 20 5 EGBDLO CCO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000233783387 1296178751 /nfs/dbraw/zinc/17/87/51/1296178751.db2.gz YCFGJOZWBSBCAA-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO CCO[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000233783387 1296178752 /nfs/dbraw/zinc/17/87/52/1296178752.db2.gz YCFGJOZWBSBCAA-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748498486 1299024959 /nfs/dbraw/zinc/02/49/59/1299024959.db2.gz RXIYZPVDLPKTNO-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)n2)c1 ZINC000761043160 1301387347 /nfs/dbraw/zinc/38/73/47/1301387347.db2.gz AJDGDOMBCJEKSP-JTQLQIEISA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](C(F)(F)F)C3)n2)c1 ZINC000761043160 1301387358 /nfs/dbraw/zinc/38/73/58/1301387358.db2.gz AJDGDOMBCJEKSP-JTQLQIEISA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000761055603 1301393111 /nfs/dbraw/zinc/39/31/11/1301393111.db2.gz LUBYEZVHKWLJLR-JTQLQIEISA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](C(F)(F)F)C3)o2)cc1 ZINC000761055603 1301393122 /nfs/dbraw/zinc/39/31/22/1301393122.db2.gz LUBYEZVHKWLJLR-JTQLQIEISA-N 1 2 342.277 3.029 20 5 EGBDLO CC(C)(C(=O)OCc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000770926768 1303333607 /nfs/dbraw/zinc/33/36/07/1303333607.db2.gz SDBNWAFRAIMHTP-UHFFFAOYSA-N 1 2 339.351 3.264 20 5 EGBDLO Nc1cc(COC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc[nH+]1 ZINC000792158056 1309131960 /nfs/dbraw/zinc/13/19/60/1309131960.db2.gz MMYNVVUXCVMFHA-UHFFFAOYSA-N 1 2 345.358 3.016 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C)noc1C ZINC000792876153 1309250049 /nfs/dbraw/zinc/25/00/49/1309250049.db2.gz LVXLPVYAURQHRN-CYBMUJFWSA-N 1 2 334.332 3.349 20 5 EGBDLO COC(=O)c1oc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000825338337 1320330086 /nfs/dbraw/zinc/33/00/86/1320330086.db2.gz XMICIOXXCYBFMW-UHFFFAOYSA-N 1 2 338.747 3.226 20 5 EGBDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000816634676 1319197576 /nfs/dbraw/zinc/19/75/76/1319197576.db2.gz PPURUOOAOGMYHA-INIZCTEOSA-N 1 2 338.379 3.051 20 5 EGBDLO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820893 1320288710 /nfs/dbraw/zinc/28/87/10/1320288710.db2.gz PNJRVVAAUFICRV-ZDUSSCGKSA-N 1 2 334.807 3.361 20 5 EGBDLO Cn1c(Cl)cnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820893 1320288715 /nfs/dbraw/zinc/28/87/15/1320288715.db2.gz PNJRVVAAUFICRV-ZDUSSCGKSA-N 1 2 334.807 3.361 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC2(CCC2)O1 ZINC000842639285 1321410972 /nfs/dbraw/zinc/41/09/72/1321410972.db2.gz JOCDXNCJSDATMZ-CQSZACIVSA-N 1 2 342.399 3.059 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC2(CCC2)O1 ZINC000842639285 1321410975 /nfs/dbraw/zinc/41/09/75/1321410975.db2.gz JOCDXNCJSDATMZ-CQSZACIVSA-N 1 2 342.399 3.059 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCc2[nH+]c[nH]c2C1 ZINC000859305692 1328965365 /nfs/dbraw/zinc/96/53/65/1328965365.db2.gz LWRPKBXMLMRXEL-UHFFFAOYSA-N 1 2 327.171 3.183 20 5 EGBDLO Cc1cccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000921149749 1322264567 /nfs/dbraw/zinc/26/45/67/1322264567.db2.gz XBINUAHJFKVZQZ-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO CN(CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000851885794 1323107931 /nfs/dbraw/zinc/10/79/31/1323107931.db2.gz LWXONNLVAWESQO-UHFFFAOYSA-N 1 2 341.383 3.033 20 5 EGBDLO CN(CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000851885794 1323107935 /nfs/dbraw/zinc/10/79/35/1323107935.db2.gz LWXONNLVAWESQO-UHFFFAOYSA-N 1 2 341.383 3.033 20 5 EGBDLO CC(C)(C)c1cn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c[nH+]1 ZINC000865374322 1329689994 /nfs/dbraw/zinc/68/99/94/1329689994.db2.gz BURHUCKLZJHFNX-UHFFFAOYSA-N 1 2 336.779 3.381 20 5 EGBDLO C/C=C(/C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039541345 1345136476 /nfs/dbraw/zinc/13/64/76/1345136476.db2.gz PKIFEYXNBYHJOQ-IXBVKNHKSA-N 1 2 343.427 3.126 20 5 EGBDLO C/C=C(/C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039541345 1345136480 /nfs/dbraw/zinc/13/64/80/1345136480.db2.gz PKIFEYXNBYHJOQ-IXBVKNHKSA-N 1 2 343.427 3.126 20 5 EGBDLO Cc1nc(Nc2ccccc2[N+](=O)[O-])cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC001206144418 1370971602 /nfs/dbraw/zinc/97/16/02/1370971602.db2.gz KQRODXFRQDYCKS-VXGBXAGGSA-N 1 2 343.387 3.050 20 5 EGBDLO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1nc[nH]n1 ZINC001188695926 1388362595 /nfs/dbraw/zinc/36/25/95/1388362595.db2.gz RCIMDJZVLCTIFI-UHFFFAOYSA-N 1 2 346.394 3.133 20 5 EGBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1c2ccccc2cc2ccccc21 ZINC001153497935 1380085567 /nfs/dbraw/zinc/08/55/67/1380085567.db2.gz KLGKLUOPIXQQIA-INIZCTEOSA-N 1 2 348.446 3.444 20 5 EGBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1c2ccccc2cc2ccccc21 ZINC001153497935 1380085569 /nfs/dbraw/zinc/08/55/69/1380085569.db2.gz KLGKLUOPIXQQIA-INIZCTEOSA-N 1 2 348.446 3.444 20 5 EGBDLO CC(C)=CC(=O)NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159187373 1381724439 /nfs/dbraw/zinc/72/44/39/1381724439.db2.gz LVJLETFVLGCJCT-UHFFFAOYSA-N 1 2 349.456 3.261 20 5 EGBDLO CC(C)=CC(=O)NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159187373 1381724447 /nfs/dbraw/zinc/72/44/47/1381724447.db2.gz LVJLETFVLGCJCT-UHFFFAOYSA-N 1 2 349.456 3.261 20 5 EGBDLO Cc1cccn2c([C@H](C)Nc3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])c[nH+]c12 ZINC001160686741 1382171025 /nfs/dbraw/zinc/17/10/25/1382171025.db2.gz NVFFUGNIRRSAAI-JTQLQIEISA-N 1 2 347.762 3.011 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2cc(Cl)ncc2[N+](=O)[O-])c1 ZINC001162128418 1382634074 /nfs/dbraw/zinc/63/40/74/1382634074.db2.gz NWURGEOHUOAEBH-UHFFFAOYSA-N 1 2 336.779 3.437 20 5 EGBDLO C[N@@H+]1CCO[C@H](CNc2nc3c(ccc4ccccc43)nc2Cl)C1 ZINC001162684235 1382832153 /nfs/dbraw/zinc/83/21/53/1382832153.db2.gz UTSXZHWUTCAWNI-CYBMUJFWSA-N 1 2 342.830 3.179 20 5 EGBDLO C[N@H+]1CCO[C@H](CNc2nc3c(ccc4ccccc43)nc2Cl)C1 ZINC001162684235 1382832157 /nfs/dbraw/zinc/83/21/57/1382832157.db2.gz UTSXZHWUTCAWNI-CYBMUJFWSA-N 1 2 342.830 3.179 20 5 EGBDLO CCOc1ccc(NC(=O)Cn2c[nH+]c(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC001330324006 1389388425 /nfs/dbraw/zinc/38/84/25/1389388425.db2.gz MWIAGPFJXDQACB-UHFFFAOYSA-N 1 2 346.387 3.126 20 5 EGBDLO Cc1cc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)cc([N+](=O)[O-])c1 ZINC001350262122 1391438368 /nfs/dbraw/zinc/43/83/68/1391438368.db2.gz HQDNKLJMWJPTER-UHFFFAOYSA-N 1 2 343.387 3.048 20 5 EGBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000049236062 213995842 /nfs/dbraw/zinc/99/58/42/213995842.db2.gz VEVXLCXJURHLBO-SECBINFHSA-N 1 2 325.166 3.054 20 5 EGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000186495884 235923180 /nfs/dbraw/zinc/92/31/80/235923180.db2.gz SKCPIGLSBXNJCI-UHFFFAOYSA-N 1 2 348.349 3.357 20 5 EGBDLO C[C@@H](N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000093882760 218254494 /nfs/dbraw/zinc/25/44/94/218254494.db2.gz BAJSYXGFNXJTNU-DIECRNLCSA-N 1 2 343.349 3.176 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000339208723 285137340 /nfs/dbraw/zinc/13/73/40/285137340.db2.gz NCFHFLLRNZGOJA-UHFFFAOYSA-N 1 2 326.352 3.053 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000339208723 285137342 /nfs/dbraw/zinc/13/73/42/285137342.db2.gz NCFHFLLRNZGOJA-UHFFFAOYSA-N 1 2 326.352 3.053 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c(F)c1 ZINC000351876394 144319053 /nfs/dbraw/zinc/31/90/53/144319053.db2.gz NKEGKQCGXOBJEV-GOSISDBHSA-N 1 2 348.349 3.355 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c(F)c1 ZINC000351876394 144319055 /nfs/dbraw/zinc/31/90/55/144319055.db2.gz NKEGKQCGXOBJEV-GOSISDBHSA-N 1 2 348.349 3.355 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000120548070 152284057 /nfs/dbraw/zinc/28/40/57/152284057.db2.gz BQRGZIIFIBSYCE-LBPRGKRZSA-N 1 2 340.383 3.341 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121083670 152324482 /nfs/dbraw/zinc/32/44/82/152324482.db2.gz BIQRIWJBWYELDN-SUMWQHHRSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121083670 152324484 /nfs/dbraw/zinc/32/44/84/152324484.db2.gz BIQRIWJBWYELDN-SUMWQHHRSA-N 1 2 348.424 3.497 20 5 EGBDLO Cc1ccn2cc(CNc3ncnc4sc([N+](=O)[O-])cc43)[nH+]c2c1 ZINC000341593939 155372319 /nfs/dbraw/zinc/37/23/19/155372319.db2.gz MEPHIFDJFHTGAU-UHFFFAOYSA-N 1 2 340.368 3.168 20 5 EGBDLO COc1cc[nH+]cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000194736739 153355910 /nfs/dbraw/zinc/35/59/10/153355910.db2.gz XZTAGDPCQDVCRB-UHFFFAOYSA-N 1 2 329.337 3.465 20 5 EGBDLO C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000302172296 154025556 /nfs/dbraw/zinc/02/55/56/154025556.db2.gz MCSMJUZHDVPQMT-IPYPFGDCSA-N 1 2 342.399 3.335 20 5 EGBDLO CCN(C(C)=O)c1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000326414253 154183519 /nfs/dbraw/zinc/18/35/19/154183519.db2.gz SYHUTMWCIBPSFQ-UHFFFAOYSA-N 1 2 348.428 3.022 20 5 EGBDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000327770968 154188402 /nfs/dbraw/zinc/18/84/02/154188402.db2.gz STFNZKBKOCLQRS-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000327770968 154188404 /nfs/dbraw/zinc/18/84/04/154188404.db2.gz STFNZKBKOCLQRS-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccncc1F ZINC000338338581 154669990 /nfs/dbraw/zinc/66/99/90/154669990.db2.gz BKHTUAXIBYBDAW-JTQLQIEISA-N 1 2 343.318 3.030 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000126129807 162295723 /nfs/dbraw/zinc/29/57/23/162295723.db2.gz NYZDKHHVGOAVOE-IAQYHMDHSA-N 1 2 348.790 3.168 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338330820 163213311 /nfs/dbraw/zinc/21/33/11/163213311.db2.gz WHVJYAKCWHQXCE-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338330820 163213317 /nfs/dbraw/zinc/21/33/17/163213317.db2.gz WHVJYAKCWHQXCE-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000338502106 163248938 /nfs/dbraw/zinc/24/89/38/163248938.db2.gz VLXZTWFLQMPPEL-UHFFFAOYSA-N 1 2 338.367 3.180 20 5 EGBDLO CC(C)c1nc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)no1 ZINC000338945558 163399748 /nfs/dbraw/zinc/39/97/48/163399748.db2.gz SORWZLONYMEJLB-UHFFFAOYSA-N 1 2 346.387 3.186 20 5 EGBDLO COc1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000354377904 166012977 /nfs/dbraw/zinc/01/29/77/166012977.db2.gz CZHDWKMFJNRVDF-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000344209486 164127405 /nfs/dbraw/zinc/12/74/05/164127405.db2.gz JTZIYNLUDKJZEB-UHFFFAOYSA-N 1 2 347.346 3.027 20 5 EGBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[nH+]1 ZINC000359852059 167249388 /nfs/dbraw/zinc/24/93/88/167249388.db2.gz XOBSHDSFZWCKDL-UHFFFAOYSA-N 1 2 334.379 3.437 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)c1C ZINC000195007538 266154346 /nfs/dbraw/zinc/15/43/46/266154346.db2.gz RYMPIHPMJIAQAW-UHFFFAOYSA-N 1 2 343.383 3.196 20 5 EGBDLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046944742 275139438 /nfs/dbraw/zinc/13/94/38/275139438.db2.gz NZKPYGUPNHLTQU-UHFFFAOYSA-N 1 2 349.778 3.267 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C2CC2)O1 ZINC000279211610 275312872 /nfs/dbraw/zinc/31/28/72/275312872.db2.gz BVDSYMDQUUIOOC-SJKOYZFVSA-N 1 2 343.383 3.249 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C2CC2)O1 ZINC000279211610 275312874 /nfs/dbraw/zinc/31/28/74/275312874.db2.gz BVDSYMDQUUIOOC-SJKOYZFVSA-N 1 2 343.383 3.249 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC2(CCOCC2)O1 ZINC000279868019 275367689 /nfs/dbraw/zinc/36/76/89/275367689.db2.gz SXVLPJAZCFJHFZ-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC2(CCOCC2)O1 ZINC000279868019 275367691 /nfs/dbraw/zinc/36/76/91/275367691.db2.gz SXVLPJAZCFJHFZ-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c(F)c1 ZINC000285280962 275861443 /nfs/dbraw/zinc/86/14/43/275861443.db2.gz KLBHRRNUYWUHEW-INIZCTEOSA-N 1 2 326.343 3.264 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000289836597 276403527 /nfs/dbraw/zinc/40/35/27/276403527.db2.gz XDFCJJALAXHFCF-JTQLQIEISA-N 1 2 349.778 3.383 20 5 EGBDLO COc1cc(Cn2c[nH+]c3cc(F)c(F)cc32)c([N+](=O)[O-])cc1F ZINC000183952938 277379268 /nfs/dbraw/zinc/37/92/68/277379268.db2.gz WGDCZJPLRIBKDM-UHFFFAOYSA-N 1 2 337.257 3.419 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000294498942 308226756 /nfs/dbraw/zinc/22/67/56/308226756.db2.gz SQRWHOQPFZTACS-UHFFFAOYSA-N 1 2 341.358 3.127 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CF)CC1 ZINC000295109591 308292625 /nfs/dbraw/zinc/29/26/25/308292625.db2.gz IIOIHKYDRADFLS-JTQLQIEISA-N 1 2 343.786 3.257 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295285694 308310949 /nfs/dbraw/zinc/31/09/49/308310949.db2.gz PVDRTNFQJFPNJK-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO Cc1cc(Cl)c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000295392837 308321973 /nfs/dbraw/zinc/32/19/73/308321973.db2.gz YQSFIVFBYULDCL-NSHDSACASA-N 1 2 348.790 3.300 20 5 EGBDLO Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000301293775 308695326 /nfs/dbraw/zinc/69/53/26/308695326.db2.gz OJBLQPKBVBCFCO-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC[C@@]1(C)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000302704599 308742491 /nfs/dbraw/zinc/74/24/91/308742491.db2.gz YAZRKPPKJMRXRG-SFHVURJKSA-N 1 2 342.399 3.366 20 5 EGBDLO C[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000332377019 308835650 /nfs/dbraw/zinc/83/56/50/308835650.db2.gz ACGOUSOQPANPKM-IAQYHMDHSA-N 1 2 347.350 3.045 20 5 EGBDLO CN(C(=O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000413167974 309019392 /nfs/dbraw/zinc/01/93/92/309019392.db2.gz IMEFQLOJUPIIQI-UHFFFAOYSA-N 1 2 342.399 3.346 20 5 EGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@@H]1n1cc[nH+]c1 ZINC000413203590 309021293 /nfs/dbraw/zinc/02/12/93/309021293.db2.gz XJXYKRMMMGLKJY-DYVFJYSZSA-N 1 2 337.383 3.427 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](CC)O1 ZINC000420957756 309304248 /nfs/dbraw/zinc/30/42/48/309304248.db2.gz ZUALCAKMMLPJKZ-GASCZTMLSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H](CC)O1 ZINC000420957756 309304249 /nfs/dbraw/zinc/30/42/49/309304249.db2.gz ZUALCAKMMLPJKZ-GASCZTMLSA-N 1 2 346.387 3.034 20 5 EGBDLO O=[N+]([O-])c1cccnc1SCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421225076 309316793 /nfs/dbraw/zinc/31/67/93/309316793.db2.gz MLXHEMUNLAZHIF-UHFFFAOYSA-N 1 2 345.424 3.114 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000421297626 309318101 /nfs/dbraw/zinc/31/81/01/309318101.db2.gz RIPBWRXJSUEQRO-OAHLLOKOSA-N 1 2 346.387 3.043 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000421297626 309318102 /nfs/dbraw/zinc/31/81/02/309318102.db2.gz RIPBWRXJSUEQRO-OAHLLOKOSA-N 1 2 346.387 3.043 20 5 EGBDLO Cc1ccoc1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000426340041 309504678 /nfs/dbraw/zinc/50/46/78/309504678.db2.gz YFOJCOYHLSHWRL-MRXNPFEDSA-N 1 2 326.356 3.109 20 5 EGBDLO Cc1cc(C)c(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000436494279 309757228 /nfs/dbraw/zinc/75/72/28/309757228.db2.gz NGQGVUHSMKKZNX-UHFFFAOYSA-N 1 2 328.372 3.279 20 5 EGBDLO CCc1cc(NC[C@@H]2CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000447816736 309989661 /nfs/dbraw/zinc/98/96/61/309989661.db2.gz KFGHJBPIHQIKIN-LBPRGKRZSA-N 1 2 344.440 3.201 20 5 EGBDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448656640 310010989 /nfs/dbraw/zinc/01/09/89/310010989.db2.gz OJYDLPAEEMEEFS-ZFWWWQNUSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000450829754 310144642 /nfs/dbraw/zinc/14/46/42/310144642.db2.gz NCENPNDISDUTOE-XCBNKYQSSA-N 1 2 338.165 3.067 20 5 EGBDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451553147 310185864 /nfs/dbraw/zinc/18/58/64/310185864.db2.gz XOYKNDCCXDVBLB-CQSZACIVSA-N 1 2 329.404 3.216 20 5 EGBDLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451553147 310185865 /nfs/dbraw/zinc/18/58/65/310185865.db2.gz XOYKNDCCXDVBLB-CQSZACIVSA-N 1 2 329.404 3.216 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C3CCCC3)no2)cc1-n1cc[nH+]c1 ZINC000453010152 310252714 /nfs/dbraw/zinc/25/27/14/310252714.db2.gz AAPIUVCPRREALJ-UHFFFAOYSA-N 1 2 325.328 3.488 20 5 EGBDLO Cc1ccc[nH+]c1CCc1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000453217194 310264665 /nfs/dbraw/zinc/26/46/65/310264665.db2.gz FKYFKYDOYOQSQZ-UHFFFAOYSA-N 1 2 338.367 3.252 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000456338493 310399360 /nfs/dbraw/zinc/39/93/60/310399360.db2.gz BTQONOVDJWQYKP-GFCCVEGCSA-N 1 2 330.388 3.426 20 5 EGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)C(C)C ZINC000460067516 310579430 /nfs/dbraw/zinc/57/94/30/310579430.db2.gz STQVJAIIVZGIPM-CYBMUJFWSA-N 1 2 330.388 3.287 20 5 EGBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490052738 311131681 /nfs/dbraw/zinc/13/16/81/311131681.db2.gz HSMAOMAWUJUMTD-OAHLLOKOSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490052738 311131682 /nfs/dbraw/zinc/13/16/82/311131682.db2.gz HSMAOMAWUJUMTD-OAHLLOKOSA-N 1 2 347.459 3.452 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831551 311154214 /nfs/dbraw/zinc/15/42/14/311154214.db2.gz YMNLNEIARROJHZ-KDOFPFPSSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831551 311154215 /nfs/dbraw/zinc/15/42/15/311154215.db2.gz YMNLNEIARROJHZ-KDOFPFPSSA-N 1 2 345.443 3.254 20 5 EGBDLO CCOc1cc(C[NH+]2CCN(c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000492667102 311278334 /nfs/dbraw/zinc/27/83/34/311278334.db2.gz DGBPJXLKLMBYCS-UHFFFAOYSA-N 1 2 347.440 3.377 20 5 EGBDLO CCc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(-c2ccncc2)[nH+]1 ZINC000535358860 314042664 /nfs/dbraw/zinc/04/26/64/314042664.db2.gz SCBCKNIIHZODJR-UHFFFAOYSA-N 1 2 349.394 3.086 20 5 EGBDLO CCc1cc(N[C@@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537673943 314201681 /nfs/dbraw/zinc/20/16/81/314201681.db2.gz VVCVLVQSLSIDHS-IUODEOHRSA-N 1 2 342.399 3.016 20 5 EGBDLO CC(C)(C)OCc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC000186413112 455762744 /nfs/dbraw/zinc/76/27/44/455762744.db2.gz ZQFVKPFJYOMADZ-UHFFFAOYSA-N 1 2 325.390 3.249 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Cl)cs3)CC2)cn1 ZINC000580511799 325258753 /nfs/dbraw/zinc/25/87/53/325258753.db2.gz HSMGTUSCNLDOOH-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO CC(C)c1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000189840702 455244747 /nfs/dbraw/zinc/24/47/47/455244747.db2.gz GCYZLRATSJMWCT-UHFFFAOYSA-N 1 2 342.399 3.345 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000016695361 453619005 /nfs/dbraw/zinc/61/90/05/453619005.db2.gz SJRNRUJQJZCJSJ-LBPRGKRZSA-N 1 2 346.305 3.236 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000016695361 453619007 /nfs/dbraw/zinc/61/90/07/453619007.db2.gz SJRNRUJQJZCJSJ-LBPRGKRZSA-N 1 2 346.305 3.236 20 5 EGBDLO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000023889702 453718898 /nfs/dbraw/zinc/71/88/98/453718898.db2.gz QXVLHQSISSVHQI-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000069069149 454077351 /nfs/dbraw/zinc/07/73/51/454077351.db2.gz PNUVMZZZCJNKGT-GFCCVEGCSA-N 1 2 347.371 3.218 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000069069149 454077353 /nfs/dbraw/zinc/07/73/53/454077353.db2.gz PNUVMZZZCJNKGT-GFCCVEGCSA-N 1 2 347.371 3.218 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000088718888 454117638 /nfs/dbraw/zinc/11/76/38/454117638.db2.gz AQNZQNAXFKEZHT-UHFFFAOYSA-N 1 2 328.294 3.298 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000094101354 454186372 /nfs/dbraw/zinc/18/63/72/454186372.db2.gz TXURVEGYARPVSN-CQSZACIVSA-N 1 2 342.399 3.263 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000119505100 454200518 /nfs/dbraw/zinc/20/05/18/454200518.db2.gz PRTHAMUNOJBIFN-LBPRGKRZSA-N 1 2 333.413 3.424 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000119505100 454200522 /nfs/dbraw/zinc/20/05/22/454200522.db2.gz PRTHAMUNOJBIFN-LBPRGKRZSA-N 1 2 333.413 3.424 20 5 EGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000119544683 454203668 /nfs/dbraw/zinc/20/36/68/454203668.db2.gz KFVHAKSRTGQPBA-LYRGGWFBSA-N 1 2 340.807 3.017 20 5 EGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000119544683 454203672 /nfs/dbraw/zinc/20/36/72/454203672.db2.gz KFVHAKSRTGQPBA-LYRGGWFBSA-N 1 2 340.807 3.017 20 5 EGBDLO O=[N+]([O-])c1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000079183383 454379362 /nfs/dbraw/zinc/37/93/62/454379362.db2.gz OJVIVWVCKFTYLJ-UHFFFAOYSA-N 1 2 327.384 3.039 20 5 EGBDLO O=[N+]([O-])c1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000048038935 454434644 /nfs/dbraw/zinc/43/46/44/454434644.db2.gz MGSLJCNSGRANSX-UHFFFAOYSA-N 1 2 346.350 3.336 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000121519300 454446097 /nfs/dbraw/zinc/44/60/97/454446097.db2.gz NNPQRHWVKQRWEH-GOSISDBHSA-N 1 2 330.359 3.482 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000121519300 454446103 /nfs/dbraw/zinc/44/61/03/454446103.db2.gz NNPQRHWVKQRWEH-GOSISDBHSA-N 1 2 330.359 3.482 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000121905849 454492472 /nfs/dbraw/zinc/49/24/72/454492472.db2.gz BUJZCYRMKJXMDX-IBGZPJMESA-N 1 2 342.395 3.221 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000121905849 454492476 /nfs/dbraw/zinc/49/24/76/454492476.db2.gz BUJZCYRMKJXMDX-IBGZPJMESA-N 1 2 342.395 3.221 20 5 EGBDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000123038232 454594183 /nfs/dbraw/zinc/59/41/83/454594183.db2.gz GYLJENKNIVNJMH-UHFFFAOYSA-N 1 2 341.433 3.099 20 5 EGBDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000123038232 454594188 /nfs/dbraw/zinc/59/41/88/454594188.db2.gz GYLJENKNIVNJMH-UHFFFAOYSA-N 1 2 341.433 3.099 20 5 EGBDLO Cc1cccn2cc(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000134881108 454601987 /nfs/dbraw/zinc/60/19/87/454601987.db2.gz DTDVCWQQZVBJPE-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000051317056 454618806 /nfs/dbraw/zinc/61/88/06/454618806.db2.gz MYZAFIMSEFRUHX-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093592966 454722061 /nfs/dbraw/zinc/72/20/61/454722061.db2.gz AJOIATYXTGOFSL-ZDUSSCGKSA-N 1 2 328.368 3.299 20 5 EGBDLO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093592966 454722063 /nfs/dbraw/zinc/72/20/63/454722063.db2.gz AJOIATYXTGOFSL-ZDUSSCGKSA-N 1 2 328.368 3.299 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000093704244 454730211 /nfs/dbraw/zinc/73/02/11/454730211.db2.gz CTTKONIAMAZDEZ-INIZCTEOSA-N 1 2 327.384 3.377 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000093704244 454730216 /nfs/dbraw/zinc/73/02/16/454730216.db2.gz CTTKONIAMAZDEZ-INIZCTEOSA-N 1 2 327.384 3.377 20 5 EGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000124436634 454732531 /nfs/dbraw/zinc/73/25/31/454732531.db2.gz MRZLOKMLVSRITC-UHFFFAOYSA-N 1 2 326.287 3.376 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000124796676 454770223 /nfs/dbraw/zinc/77/02/23/454770223.db2.gz YVTCIVRRAAPUSL-XHDPSFHLSA-N 1 2 348.790 3.168 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000124796450 454770419 /nfs/dbraw/zinc/77/04/19/454770419.db2.gz YVTCIVRRAAPUSL-IAQYHMDHSA-N 1 2 348.790 3.168 20 5 EGBDLO CC(C)N(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC000153230971 454772804 /nfs/dbraw/zinc/77/28/04/454772804.db2.gz IUAXXJCGVJMJOS-UHFFFAOYSA-N 1 2 333.432 3.205 20 5 EGBDLO CC(C)N(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC000153230971 454772807 /nfs/dbraw/zinc/77/28/07/454772807.db2.gz IUAXXJCGVJMJOS-UHFFFAOYSA-N 1 2 333.432 3.205 20 5 EGBDLO Cc1cc(NC[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000141001243 454825994 /nfs/dbraw/zinc/82/59/94/454825994.db2.gz DFMJFGCHUFNCMM-ZDUSSCGKSA-N 1 2 328.372 3.199 20 5 EGBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127744217 454993715 /nfs/dbraw/zinc/99/37/15/454993715.db2.gz YBBHVNDSLDQZSQ-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127744217 454993718 /nfs/dbraw/zinc/99/37/18/454993718.db2.gz YBBHVNDSLDQZSQ-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000172082973 455119160 /nfs/dbraw/zinc/11/91/60/455119160.db2.gz YJRJCVGCAOKJCQ-SUMWQHHRSA-N 1 2 327.384 3.075 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000180578098 455201139 /nfs/dbraw/zinc/20/11/39/455201139.db2.gz OGIMQODDYCXCGV-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000180578098 455201145 /nfs/dbraw/zinc/20/11/45/455201145.db2.gz OGIMQODDYCXCGV-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO O=C(N[C@@H]1CC12CCCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180637141 455215009 /nfs/dbraw/zinc/21/50/09/455215009.db2.gz XHHDRUOEHYSNPF-MRXNPFEDSA-N 1 2 340.383 3.233 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000190552662 455342187 /nfs/dbraw/zinc/34/21/87/455342187.db2.gz OVUDKCWTIRQFEI-CYBMUJFWSA-N 1 2 349.431 3.120 20 5 EGBDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000245927372 455400869 /nfs/dbraw/zinc/40/08/69/455400869.db2.gz IWDWSPIUIWDMBT-ZNMIVQPWSA-N 1 2 333.432 3.205 20 5 EGBDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000245927372 455400873 /nfs/dbraw/zinc/40/08/73/455400873.db2.gz IWDWSPIUIWDMBT-ZNMIVQPWSA-N 1 2 333.432 3.205 20 5 EGBDLO CC[C@@H](CCO)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000268046572 455585073 /nfs/dbraw/zinc/58/50/73/455585073.db2.gz QLLWFAMNVNFUBN-ZDUSSCGKSA-N 1 2 330.388 3.181 20 5 EGBDLO CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271340727 455603941 /nfs/dbraw/zinc/60/39/41/455603941.db2.gz BYNWEYOFSHRAKP-GXTWGEPZSA-N 1 2 328.372 3.184 20 5 EGBDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283932417 455612996 /nfs/dbraw/zinc/61/29/96/455612996.db2.gz CRMPULCZSABTAA-LLVKDONJSA-N 1 2 331.328 3.402 20 5 EGBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283932417 455613000 /nfs/dbraw/zinc/61/30/00/455613000.db2.gz CRMPULCZSABTAA-LLVKDONJSA-N 1 2 331.328 3.402 20 5 EGBDLO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000271424491 455632228 /nfs/dbraw/zinc/63/22/28/455632228.db2.gz ZZSAZOUVUBARAC-OAHLLOKOSA-N 1 2 341.415 3.278 20 5 EGBDLO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000271424491 455632235 /nfs/dbraw/zinc/63/22/35/455632235.db2.gz ZZSAZOUVUBARAC-OAHLLOKOSA-N 1 2 341.415 3.278 20 5 EGBDLO Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1Oc1cc[nH+]cc1 ZINC000192589139 455647107 /nfs/dbraw/zinc/64/71/07/455647107.db2.gz HVVSIMMAVSSMSO-UHFFFAOYSA-N 1 2 339.311 3.066 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000292648879 455721827 /nfs/dbraw/zinc/72/18/27/455721827.db2.gz JYZAZVQYWBEPRG-UHFFFAOYSA-N 1 2 338.367 3.180 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000285628818 455885122 /nfs/dbraw/zinc/88/51/22/455885122.db2.gz RCAHOBWGFVSNDN-UHFFFAOYSA-N 1 2 339.351 3.439 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000285628818 455885124 /nfs/dbraw/zinc/88/51/24/455885124.db2.gz RCAHOBWGFVSNDN-UHFFFAOYSA-N 1 2 339.351 3.439 20 5 EGBDLO CC(C)c1nnc([C@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000280078546 455886996 /nfs/dbraw/zinc/88/69/96/455886996.db2.gz NRFRPSBAUBFARH-SWLSCSKDSA-N 1 2 346.387 3.236 20 5 EGBDLO CC(C)c1nnc([C@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000280078546 455887001 /nfs/dbraw/zinc/88/70/01/455887001.db2.gz NRFRPSBAUBFARH-SWLSCSKDSA-N 1 2 346.387 3.236 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(F)c1 ZINC000285654965 455889609 /nfs/dbraw/zinc/88/96/09/455889609.db2.gz SPDPXLTWQHZBMN-ZDUSSCGKSA-N 1 2 336.285 3.013 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(F)c1 ZINC000285654965 455889614 /nfs/dbraw/zinc/88/96/14/455889614.db2.gz SPDPXLTWQHZBMN-ZDUSSCGKSA-N 1 2 336.285 3.013 20 5 EGBDLO COCC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000285701704 455898920 /nfs/dbraw/zinc/89/89/20/455898920.db2.gz RTMVJEMQWQHWOP-AWEZNQCLSA-N 1 2 326.299 3.333 20 5 EGBDLO Cc1c(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cnn1C ZINC000301832972 456227749 /nfs/dbraw/zinc/22/77/49/456227749.db2.gz JJVXBKAERGCPQH-UHFFFAOYSA-N 1 2 338.371 3.014 20 5 EGBDLO Cc1c(CNc2cc(N3CCCCC3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000302738418 456388377 /nfs/dbraw/zinc/38/83/77/456388377.db2.gz XZDRBPTWMLEYRT-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO Cc1c(CNc2cc(N3CCCCC3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000302738418 456388380 /nfs/dbraw/zinc/38/83/80/456388380.db2.gz XZDRBPTWMLEYRT-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO Nc1ccc(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c[nH+]1 ZINC000302783296 456398024 /nfs/dbraw/zinc/39/80/24/456398024.db2.gz UACBSMIJKWVLOU-UHFFFAOYSA-N 1 2 348.362 3.415 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000276445490 456483444 /nfs/dbraw/zinc/48/34/44/456483444.db2.gz SJOTZAJLUXOJMI-UHFFFAOYSA-N 1 2 343.387 3.066 20 5 EGBDLO CCC(=O)c1ccc(N[C@@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000343275969 456500854 /nfs/dbraw/zinc/50/08/54/456500854.db2.gz UNUYLTLJSXVLKN-MRXNPFEDSA-N 1 2 328.372 3.484 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(F)c1 ZINC000276735673 456565578 /nfs/dbraw/zinc/56/55/78/456565578.db2.gz CFHMVAKRSFYQNG-UHFFFAOYSA-N 1 2 349.337 3.311 20 5 EGBDLO CCc1cc(NC[C@H]2CC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277016799 456653984 /nfs/dbraw/zinc/65/39/84/456653984.db2.gz YNVNWUZSBFSOGZ-LRDDRELGSA-N 1 2 342.399 3.187 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c(F)c1 ZINC000291694573 456723451 /nfs/dbraw/zinc/72/34/51/456723451.db2.gz HQMFHGPZHRYGGY-SFHVURJKSA-N 1 2 348.349 3.009 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c(F)c1 ZINC000291694573 456723459 /nfs/dbraw/zinc/72/34/59/456723459.db2.gz HQMFHGPZHRYGGY-SFHVURJKSA-N 1 2 348.349 3.009 20 5 EGBDLO C[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000301140116 456806535 /nfs/dbraw/zinc/80/65/35/456806535.db2.gz AJIGOWHDNSIFGE-SNVBAGLBSA-N 1 2 339.193 3.302 20 5 EGBDLO C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000301157707 456808826 /nfs/dbraw/zinc/80/88/26/456808826.db2.gz ASVXYQNVFMMWCD-GHMZBOCLSA-N 1 2 347.337 3.135 20 5 EGBDLO CCO[C@H](C)c1noc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000353971861 456984286 /nfs/dbraw/zinc/98/42/86/456984286.db2.gz MGONMRBKSJLSKK-BUUCAEBMSA-N 1 2 346.387 3.221 20 5 EGBDLO CCO[C@H](C)c1noc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000353971861 456984288 /nfs/dbraw/zinc/98/42/88/456984288.db2.gz MGONMRBKSJLSKK-BUUCAEBMSA-N 1 2 346.387 3.221 20 5 EGBDLO COc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1 ZINC000356525101 457036752 /nfs/dbraw/zinc/03/67/52/457036752.db2.gz NRRVJYVKJMXSBU-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1 ZINC000356525101 457036759 /nfs/dbraw/zinc/03/67/59/457036759.db2.gz NRRVJYVKJMXSBU-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000359994661 457193156 /nfs/dbraw/zinc/19/31/56/457193156.db2.gz VVBLJSCBELZHQO-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360010304 457200941 /nfs/dbraw/zinc/20/09/41/457200941.db2.gz MTIMUNXBTXFZOA-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332028010 457291504 /nfs/dbraw/zinc/29/15/04/457291504.db2.gz YYYSJSBAJNQCGV-XGWTYTTDSA-N 1 2 334.416 3.062 20 5 EGBDLO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332028010 457291508 /nfs/dbraw/zinc/29/15/08/457291508.db2.gz YYYSJSBAJNQCGV-XGWTYTTDSA-N 1 2 334.416 3.062 20 5 EGBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000347233490 457302130 /nfs/dbraw/zinc/30/21/30/457302130.db2.gz FRZPVUMKBFMFCQ-UHFFFAOYSA-N 1 2 337.339 3.307 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000332194078 457325143 /nfs/dbraw/zinc/32/51/43/457325143.db2.gz YPKCDOSQZXLBJP-ZFWWWQNUSA-N 1 2 349.456 3.202 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000332194078 457325148 /nfs/dbraw/zinc/32/51/48/457325148.db2.gz YPKCDOSQZXLBJP-ZFWWWQNUSA-N 1 2 349.456 3.202 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357119257 457333152 /nfs/dbraw/zinc/33/31/52/457333152.db2.gz NFWLZPIHUKXBAT-SMDDNHRTSA-N 1 2 346.412 3.162 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352543697 457455000 /nfs/dbraw/zinc/45/50/00/457455000.db2.gz IIJWTBJTOBXILN-UHFFFAOYSA-N 1 2 341.367 3.224 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000352543697 457455006 /nfs/dbraw/zinc/45/50/06/457455006.db2.gz IIJWTBJTOBXILN-UHFFFAOYSA-N 1 2 341.367 3.224 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nc(C(F)F)no3)C2)cc1 ZINC000425492584 457575805 /nfs/dbraw/zinc/57/58/05/457575805.db2.gz NUXXOEIFHKUCGK-LLVKDONJSA-N 1 2 338.314 3.295 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nc(C(F)F)no3)C2)cc1 ZINC000425492584 457575808 /nfs/dbraw/zinc/57/58/08/457575808.db2.gz NUXXOEIFHKUCGK-LLVKDONJSA-N 1 2 338.314 3.295 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cn2c1 ZINC000361115503 457591453 /nfs/dbraw/zinc/59/14/53/457591453.db2.gz LPKPRNALBKQVEF-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1F ZINC000374498709 457641886 /nfs/dbraw/zinc/64/18/86/457641886.db2.gz YPLNWDCWRKUWOH-LBPRGKRZSA-N 1 2 333.348 3.125 20 5 EGBDLO C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC=CCC1 ZINC000458308795 458007751 /nfs/dbraw/zinc/00/77/51/458007751.db2.gz JCQLSRKWYKWXFD-QGZVFWFLSA-N 1 2 326.356 3.009 20 5 EGBDLO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000411918564 458010063 /nfs/dbraw/zinc/01/00/63/458010063.db2.gz DBJYHSRPASDBHA-HOCLYGCPSA-N 1 2 346.358 3.050 20 5 EGBDLO COc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000411918564 458010073 /nfs/dbraw/zinc/01/00/73/458010073.db2.gz DBJYHSRPASDBHA-HOCLYGCPSA-N 1 2 346.358 3.050 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434627929 458025968 /nfs/dbraw/zinc/02/59/68/458025968.db2.gz OASUZOYBVKEJAR-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434627929 458025972 /nfs/dbraw/zinc/02/59/72/458025972.db2.gz OASUZOYBVKEJAR-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO CC[N@H+](Cc1occc1C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000412035404 458056700 /nfs/dbraw/zinc/05/67/00/458056700.db2.gz FXLQNSDXXXSQKE-UHFFFAOYSA-N 1 2 332.356 3.385 20 5 EGBDLO CC[N@@H+](Cc1occc1C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000412035404 458056708 /nfs/dbraw/zinc/05/67/08/458056708.db2.gz FXLQNSDXXXSQKE-UHFFFAOYSA-N 1 2 332.356 3.385 20 5 EGBDLO CCCCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000362452707 458187971 /nfs/dbraw/zinc/18/79/71/458187971.db2.gz WGAPJYMHTVRBNJ-CQSZACIVSA-N 1 2 349.431 3.203 20 5 EGBDLO CCCc1csc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000446846957 458235775 /nfs/dbraw/zinc/23/57/75/458235775.db2.gz GPNOPVCKWMMBOH-UHFFFAOYSA-N 1 2 331.401 3.170 20 5 EGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCCNc1cccc[nH+]1 ZINC000436312576 458287220 /nfs/dbraw/zinc/28/72/20/458287220.db2.gz AINYYKGUSFKRMJ-UHFFFAOYSA-N 1 2 341.293 3.318 20 5 EGBDLO CC(C)C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447806740 458344450 /nfs/dbraw/zinc/34/44/50/458344450.db2.gz NYRIPRAMQSKPKL-KRWDZBQOSA-N 1 2 347.459 3.299 20 5 EGBDLO CCC[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447814760 458346819 /nfs/dbraw/zinc/34/68/19/458346819.db2.gz BFRZVFUXJYVGRT-MRXNPFEDSA-N 1 2 347.459 3.444 20 5 EGBDLO CSc1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000373593221 458544509 /nfs/dbraw/zinc/54/45/09/458544509.db2.gz AWHHBMHRRJULIU-LLVKDONJSA-N 1 2 346.412 3.060 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456357056 458645456 /nfs/dbraw/zinc/64/54/56/458645456.db2.gz PDKHTNJYOWTDLR-LLVKDONJSA-N 1 2 348.428 3.414 20 5 EGBDLO Cn1c(NCc2ccc([N+](=O)[O-])cc2F)[nH+]c2cccc(Cl)c21 ZINC000466636101 458910099 /nfs/dbraw/zinc/91/00/99/458910099.db2.gz YHTLPWTYZKAMIA-UHFFFAOYSA-N 1 2 334.738 3.308 20 5 EGBDLO Cc1cccn2cc(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)[nH+]c12 ZINC000519078753 458913230 /nfs/dbraw/zinc/91/32/30/458913230.db2.gz QOCHHBJGUYYMSQ-UHFFFAOYSA-N 1 2 333.351 3.463 20 5 EGBDLO C[C@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000519803255 459006562 /nfs/dbraw/zinc/00/65/62/459006562.db2.gz PXQGVOKFPUQURG-WFASDCNBSA-N 1 2 328.372 3.175 20 5 EGBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCCC1CCCCC1 ZINC000476577550 459008863 /nfs/dbraw/zinc/00/88/63/459008863.db2.gz SULBFNIQMKPLHJ-UHFFFAOYSA-N 1 2 345.443 3.040 20 5 EGBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCCC1CCCCC1 ZINC000476577550 459008867 /nfs/dbraw/zinc/00/88/67/459008867.db2.gz SULBFNIQMKPLHJ-UHFFFAOYSA-N 1 2 345.443 3.040 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000595018310 459216500 /nfs/dbraw/zinc/21/65/00/459216500.db2.gz NKMQVRANWKIAHW-ZDUSSCGKSA-N 1 2 340.383 3.410 20 5 EGBDLO Cc1noc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595330408 459278920 /nfs/dbraw/zinc/27/89/20/459278920.db2.gz ATCTYGKVLPDGMM-RNFRBKRXSA-N 1 2 347.215 3.064 20 5 EGBDLO Cc1noc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595347702 459281878 /nfs/dbraw/zinc/28/18/78/459281878.db2.gz VYQGBNRECVUQFM-INIZCTEOSA-N 1 2 345.399 3.115 20 5 EGBDLO Cc1noc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595347702 459281879 /nfs/dbraw/zinc/28/18/79/459281879.db2.gz VYQGBNRECVUQFM-INIZCTEOSA-N 1 2 345.399 3.115 20 5 EGBDLO Cc1noc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC000595412154 459292606 /nfs/dbraw/zinc/29/26/06/459292606.db2.gz VBPSSSJAPHHRQI-QMMMGPOBSA-N 1 2 327.287 3.343 20 5 EGBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]2C ZINC000595426622 459297193 /nfs/dbraw/zinc/29/71/93/459297193.db2.gz QMNMSKWVHMKPSD-ZYHUDNBSSA-N 1 2 331.372 3.408 20 5 EGBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]2C ZINC000595426622 459297199 /nfs/dbraw/zinc/29/71/99/459297199.db2.gz QMNMSKWVHMKPSD-ZYHUDNBSSA-N 1 2 331.372 3.408 20 5 EGBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]2C ZINC000595426619 459297267 /nfs/dbraw/zinc/29/72/67/459297267.db2.gz QMNMSKWVHMKPSD-CMPLNLGQSA-N 1 2 331.372 3.408 20 5 EGBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]2C ZINC000595426619 459297271 /nfs/dbraw/zinc/29/72/71/459297271.db2.gz QMNMSKWVHMKPSD-CMPLNLGQSA-N 1 2 331.372 3.408 20 5 EGBDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000595519315 459331876 /nfs/dbraw/zinc/33/18/76/459331876.db2.gz XCPNTOYQCSEGBH-SNVBAGLBSA-N 1 2 348.794 3.014 20 5 EGBDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000595519315 459331879 /nfs/dbraw/zinc/33/18/79/459331879.db2.gz XCPNTOYQCSEGBH-SNVBAGLBSA-N 1 2 348.794 3.014 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000595657491 459385729 /nfs/dbraw/zinc/38/57/29/459385729.db2.gz KRVSILLCRZASMH-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000595657491 459385737 /nfs/dbraw/zinc/38/57/37/459385737.db2.gz KRVSILLCRZASMH-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000541052589 459421249 /nfs/dbraw/zinc/42/12/49/459421249.db2.gz GKVOTBSFGRSHLN-CQSZACIVSA-N 1 2 336.775 3.080 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1F ZINC000595752502 459425537 /nfs/dbraw/zinc/42/55/37/459425537.db2.gz LNXHAXSWACLXQY-ZDUSSCGKSA-N 1 2 335.335 3.376 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1F ZINC000595752502 459425542 /nfs/dbraw/zinc/42/55/42/459425542.db2.gz LNXHAXSWACLXQY-ZDUSSCGKSA-N 1 2 335.335 3.376 20 5 EGBDLO COc1cc(C[NH+]2CCC3(CCCC3=O)CC2)c([N+](=O)[O-])cc1F ZINC000595820336 459452667 /nfs/dbraw/zinc/45/26/67/459452667.db2.gz VNBYOIYIXIGHES-UHFFFAOYSA-N 1 2 336.363 3.078 20 5 EGBDLO CCc1cc(N)nc(SCc2cc([N+](=O)[O-])ccc2OC(C)C)[nH+]1 ZINC000573234185 459646636 /nfs/dbraw/zinc/64/66/36/459646636.db2.gz KRVHQJCSZCVIHG-UHFFFAOYSA-N 1 2 348.428 3.439 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593060128 459760498 /nfs/dbraw/zinc/76/04/98/459760498.db2.gz YMDLCZOCXNCPKQ-CHWSQXEVSA-N 1 2 326.368 3.132 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593060128 459760502 /nfs/dbraw/zinc/76/05/02/459760502.db2.gz YMDLCZOCXNCPKQ-CHWSQXEVSA-N 1 2 326.368 3.132 20 5 EGBDLO COCCC(C)(C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545345245 459827069 /nfs/dbraw/zinc/82/70/69/459827069.db2.gz XCUXCZUDRJNFJC-UHFFFAOYSA-N 1 2 330.388 3.009 20 5 EGBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609143738 459910515 /nfs/dbraw/zinc/91/05/15/459910515.db2.gz DGCRVNAFLZLBBH-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO COCCc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000602441169 459939671 /nfs/dbraw/zinc/93/96/71/459939671.db2.gz UPSQQPBFMRBFFF-UHFFFAOYSA-N 1 2 347.440 3.405 20 5 EGBDLO COCCc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000602441169 459939677 /nfs/dbraw/zinc/93/96/77/459939677.db2.gz UPSQQPBFMRBFFF-UHFFFAOYSA-N 1 2 347.440 3.405 20 5 EGBDLO Cc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ncn1 ZINC000602581651 460007402 /nfs/dbraw/zinc/00/74/02/460007402.db2.gz YLWDATBLHLFNQB-UHFFFAOYSA-N 1 2 326.278 3.002 20 5 EGBDLO CO[C@]1(C)CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602646575 460040243 /nfs/dbraw/zinc/04/02/43/460040243.db2.gz CBZSOTLTPCVONA-GFCCVEGCSA-N 1 2 349.250 3.420 20 5 EGBDLO CO[C@]1(C)CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602646575 460040248 /nfs/dbraw/zinc/04/02/48/460040248.db2.gz CBZSOTLTPCVONA-GFCCVEGCSA-N 1 2 349.250 3.420 20 5 EGBDLO CCC(CC)C(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610366941 460137215 /nfs/dbraw/zinc/13/72/15/460137215.db2.gz MOVVCQRNHULJHN-CQSZACIVSA-N 1 2 333.432 3.236 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701490 460219556 /nfs/dbraw/zinc/21/95/56/460219556.db2.gz QYCJHASSXCLUIU-UHFFFAOYSA-N 1 2 326.331 3.210 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC(F)(F)CC1 ZINC000599551871 460273214 /nfs/dbraw/zinc/27/32/14/460273214.db2.gz BYMURVQQMKXYSH-LLVKDONJSA-N 1 2 327.331 3.043 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC(F)(F)CC1 ZINC000599551871 460273220 /nfs/dbraw/zinc/27/32/20/460273220.db2.gz BYMURVQQMKXYSH-LLVKDONJSA-N 1 2 327.331 3.043 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1 ZINC000604457388 460430105 /nfs/dbraw/zinc/43/01/05/460430105.db2.gz DDEFYRUKRROJFJ-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000616132504 460479999 /nfs/dbraw/zinc/47/99/99/460479999.db2.gz MIYBPKGTSCKAEA-AWEZNQCLSA-N 1 2 329.375 3.445 20 5 EGBDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000616132504 460480003 /nfs/dbraw/zinc/48/00/03/460480003.db2.gz MIYBPKGTSCKAEA-AWEZNQCLSA-N 1 2 329.375 3.445 20 5 EGBDLO O=[N+]([O-])c1ccc(CNc2[nH+]c3ccccc3n2C2CC2)c(F)c1 ZINC000613104253 460828087 /nfs/dbraw/zinc/82/80/87/460828087.db2.gz QVRSGLJOBWYPRY-UHFFFAOYSA-N 1 2 326.331 3.453 20 5 EGBDLO C[NH+](C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000193434668 536131705 /nfs/dbraw/zinc/13/17/05/536131705.db2.gz UYIZAYKHNIUVOE-HNNXBMFYSA-N 1 2 336.342 3.170 20 5 EGBDLO Cc1cc(C)c(OC(=O)Cc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000726752400 574570010 /nfs/dbraw/zinc/57/00/10/574570010.db2.gz KNVDBLYSMUWITN-UHFFFAOYSA-N 1 2 339.351 3.316 20 5 EGBDLO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000738052196 574577381 /nfs/dbraw/zinc/57/73/81/574577381.db2.gz CQXHFNKUQSBITN-JQWIXIFHSA-N 1 2 345.241 3.412 20 5 EGBDLO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000738052196 574577383 /nfs/dbraw/zinc/57/73/83/574577383.db2.gz CQXHFNKUQSBITN-JQWIXIFHSA-N 1 2 345.241 3.412 20 5 EGBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000729338108 574843938 /nfs/dbraw/zinc/84/39/38/574843938.db2.gz PNWYAGZVWOVFIN-YXMGTMDOSA-N 1 2 342.399 3.036 20 5 EGBDLO COc1ccc(C[NH2+]Cc2occc2Br)cc1[N+](=O)[O-] ZINC000735324271 575643536 /nfs/dbraw/zinc/64/35/36/575643536.db2.gz LMVJVKBJABXKOT-UHFFFAOYSA-N 1 2 341.161 3.249 20 5 EGBDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000742365367 576773796 /nfs/dbraw/zinc/77/37/96/576773796.db2.gz PPXHYMJVDYRXOC-SNVBAGLBSA-N 1 2 329.784 3.308 20 5 EGBDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000782286717 1304947546 /nfs/dbraw/zinc/94/75/46/1304947546.db2.gz DVYJANHTMRVKDN-CYBMUJFWSA-N 1 2 338.367 3.185 20 5 EGBDLO C[C@@H]1COc2ccccc2C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000782286717 1304947552 /nfs/dbraw/zinc/94/75/52/1304947552.db2.gz DVYJANHTMRVKDN-CYBMUJFWSA-N 1 2 338.367 3.185 20 5 EGBDLO COc1ccc(C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000070699438 1292258652 /nfs/dbraw/zinc/25/86/52/1292258652.db2.gz AFWSWFQENKRGAF-UHFFFAOYSA-N 1 2 330.388 3.039 20 5 EGBDLO COc1ccc(C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000070699438 1292258658 /nfs/dbraw/zinc/25/86/58/1292258658.db2.gz AFWSWFQENKRGAF-UHFFFAOYSA-N 1 2 330.388 3.039 20 5 EGBDLO O=[N+]([O-])c1cc(CNc2ccc[nH+]c2N2CCOCC2)ccc1Cl ZINC000158150319 1294197212 /nfs/dbraw/zinc/19/72/12/1294197212.db2.gz BBIVUIIIKWBODV-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO Cc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000178183728 1294720167 /nfs/dbraw/zinc/72/01/67/1294720167.db2.gz LXTFNKRTMJEKAG-UHFFFAOYSA-N 1 2 337.339 3.128 20 5 EGBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000193181868 1295841589 /nfs/dbraw/zinc/84/15/89/1295841589.db2.gz YREPYLTZLLTOPR-UHFFFAOYSA-N 1 2 344.327 3.384 20 5 EGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(Cl)nn3)CC2)cc1 ZINC000876766309 1298971194 /nfs/dbraw/zinc/97/11/94/1298971194.db2.gz HLYUEYBGWZRSFT-UHFFFAOYSA-N 1 2 348.790 3.082 20 5 EGBDLO C[C@H](C(=O)OCc1cc[nH+]c(N(C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000755912072 1300414620 /nfs/dbraw/zinc/41/46/20/1300414620.db2.gz CHMAPOWLVDDQQF-NSHDSACASA-N 1 2 347.346 3.042 20 5 EGBDLO C[C@@H](C(=O)OCc1cc[nH+]c(N(C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000755912071 1300415448 /nfs/dbraw/zinc/41/54/48/1300415448.db2.gz CHMAPOWLVDDQQF-LLVKDONJSA-N 1 2 347.346 3.042 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880234410 1300997298 /nfs/dbraw/zinc/99/72/98/1300997298.db2.gz RMQUUGADJLIIMV-MNOVXSKESA-N 1 2 343.786 3.257 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](CF)C1 ZINC000880234410 1300997302 /nfs/dbraw/zinc/99/73/02/1300997302.db2.gz RMQUUGADJLIIMV-MNOVXSKESA-N 1 2 343.786 3.257 20 5 EGBDLO Cc1ncsc1C[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765013200 1302185460 /nfs/dbraw/zinc/18/54/60/1302185460.db2.gz UFHYOOMGRJSKNW-UHFFFAOYSA-N 1 2 331.401 3.107 20 5 EGBDLO Cc1ncsc1C[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765013200 1302185467 /nfs/dbraw/zinc/18/54/67/1302185467.db2.gz UFHYOOMGRJSKNW-UHFFFAOYSA-N 1 2 331.401 3.107 20 5 EGBDLO C[NH+](C)c1ccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774311428 1303796504 /nfs/dbraw/zinc/79/65/04/1303796504.db2.gz FCDCMCCYUDFSLJ-HZPDHXFCSA-N 1 2 329.404 3.453 20 5 EGBDLO C[C@@H]1SCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000774634318 1303837835 /nfs/dbraw/zinc/83/78/35/1303837835.db2.gz DLSQDKAHQFWGEX-UWVGGRQHSA-N 1 2 340.836 3.381 20 5 EGBDLO C[C@@H]1SCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000774634318 1303837840 /nfs/dbraw/zinc/83/78/40/1303837840.db2.gz DLSQDKAHQFWGEX-UWVGGRQHSA-N 1 2 340.836 3.381 20 5 EGBDLO CC[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCS1 ZINC000774634991 1303838109 /nfs/dbraw/zinc/83/81/09/1303838109.db2.gz GXULTSUXQWFZFY-GFCCVEGCSA-N 1 2 340.836 3.383 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCS1 ZINC000774634991 1303838113 /nfs/dbraw/zinc/83/81/13/1303838113.db2.gz GXULTSUXQWFZFY-GFCCVEGCSA-N 1 2 340.836 3.383 20 5 EGBDLO C[NH+](C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000780087628 1304636272 /nfs/dbraw/zinc/63/62/72/1304636272.db2.gz DLPJFONLUJGMNB-MRXNPFEDSA-N 1 2 332.331 3.080 20 5 EGBDLO C[NH+](C)[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000780090841 1304637484 /nfs/dbraw/zinc/63/74/84/1304637484.db2.gz OULBNSJYVVCUMC-MRXNPFEDSA-N 1 2 332.331 3.080 20 5 EGBDLO O=[N+]([O-])c1cccc2ncnc(NCc3ccc(-n4cc[nH+]c4)cc3)c21 ZINC000780912033 1304751383 /nfs/dbraw/zinc/75/13/83/1304751383.db2.gz VOLZIRKTSUNIPF-UHFFFAOYSA-N 1 2 346.350 3.336 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000782275103 1304945525 /nfs/dbraw/zinc/94/55/25/1304945525.db2.gz DOXZTHMIDVMAPI-SCVCMEIPSA-N 1 2 343.225 3.022 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]12 ZINC000782275103 1304945530 /nfs/dbraw/zinc/94/55/30/1304945530.db2.gz DOXZTHMIDVMAPI-SCVCMEIPSA-N 1 2 343.225 3.022 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000783783830 1305145702 /nfs/dbraw/zinc/14/57/02/1305145702.db2.gz DFJZVYCAKHNRAA-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000783783830 1305145703 /nfs/dbraw/zinc/14/57/03/1305145703.db2.gz DFJZVYCAKHNRAA-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO Cc1nn(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC000808199494 1317644327 /nfs/dbraw/zinc/64/43/27/1317644327.db2.gz VZEPXHOSEAUMBN-DLBZAZTESA-N 1 2 344.415 3.235 20 5 EGBDLO Cc1nn(C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC000808199494 1317644334 /nfs/dbraw/zinc/64/43/34/1317644334.db2.gz VZEPXHOSEAUMBN-DLBZAZTESA-N 1 2 344.415 3.235 20 5 EGBDLO COCc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cs1 ZINC000811513389 1318192655 /nfs/dbraw/zinc/19/26/55/1318192655.db2.gz HKXBFLJUZBZFBA-UHFFFAOYSA-N 1 2 327.793 3.141 20 5 EGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000914564977 1319346844 /nfs/dbraw/zinc/34/68/44/1319346844.db2.gz AYWIBJAJGFBMQQ-GFCCVEGCSA-N 1 2 343.412 3.238 20 5 EGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000914564977 1319346850 /nfs/dbraw/zinc/34/68/50/1319346850.db2.gz AYWIBJAJGFBMQQ-GFCCVEGCSA-N 1 2 343.412 3.238 20 5 EGBDLO CCc1csc(CC2CC[NH+](Cn3cc([N+](=O)[O-])c(C)n3)CC2)n1 ZINC000848495734 1321964768 /nfs/dbraw/zinc/96/47/68/1321964768.db2.gz OHPCLPQDMIKHGQ-UHFFFAOYSA-N 1 2 349.460 3.031 20 5 EGBDLO CC(C)=CC(=O)N1CCC2(C[NH+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001035645289 1343118698 /nfs/dbraw/zinc/11/86/98/1343118698.db2.gz ZQJMKAALRFBOCU-UHFFFAOYSA-N 1 2 349.456 3.047 20 5 EGBDLO CC(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039501687 1345117720 /nfs/dbraw/zinc/11/77/20/1345117720.db2.gz BFGJBKKBOCHCLS-HDICACEKSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039501687 1345117724 /nfs/dbraw/zinc/11/77/24/1345117724.db2.gz BFGJBKKBOCHCLS-HDICACEKSA-N 1 2 345.443 3.206 20 5 EGBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)Cc2ccccc21 ZINC001118846961 1371238813 /nfs/dbraw/zinc/23/88/13/1371238813.db2.gz BTHGGBFRNORTSY-OAHLLOKOSA-N 1 2 344.342 3.006 20 5 EGBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)Cc2ccccc21 ZINC001118846961 1371238814 /nfs/dbraw/zinc/23/88/14/1371238814.db2.gz BTHGGBFRNORTSY-OAHLLOKOSA-N 1 2 344.342 3.006 20 5 EGBDLO O=[N+]([O-])c1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1F ZINC001211192838 1372497867 /nfs/dbraw/zinc/49/78/67/1372497867.db2.gz PXGRNVMGMCPWPM-UHFFFAOYSA-N 1 2 331.347 3.310 20 5 EGBDLO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3CC[NH2+]CC3(F)F)ccc12 ZINC001218010682 1373535744 /nfs/dbraw/zinc/53/57/44/1373535744.db2.gz RCQBNHJMOTWGCM-MRXNPFEDSA-N 1 2 347.317 3.028 20 5 EGBDLO O=[N+]([O-])c1ccc(O)c(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001229396800 1375827826 /nfs/dbraw/zinc/82/78/26/1375827826.db2.gz YZYWRLOKTCZEON-HNNXBMFYSA-N 1 2 346.358 3.483 20 5 EGBDLO O=[N+]([O-])c1ccc(O)c(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001229396800 1375827831 /nfs/dbraw/zinc/82/78/31/1375827831.db2.gz YZYWRLOKTCZEON-HNNXBMFYSA-N 1 2 346.358 3.483 20 5 EGBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156782795 1380633806 /nfs/dbraw/zinc/63/38/06/1380633806.db2.gz FBQWKDBGCBSPCO-UHFFFAOYSA-N 1 2 343.774 3.465 20 5 EGBDLO C[C@@H]1C[NH+](C2CN(c3ccc4ccc5cccnc5c4n3)C2)C[C@@H](C)O1 ZINC001158719696 1381364523 /nfs/dbraw/zinc/36/45/23/1381364523.db2.gz SANIVOQRNNPBRG-HUUCEWRRSA-N 1 2 348.450 3.081 20 5 EGBDLO COc1cc(C)nc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c1[N+](=O)[O-] ZINC001160682334 1382168638 /nfs/dbraw/zinc/16/86/38/1382168638.db2.gz BBIGVJSZPZHXSL-LBPRGKRZSA-N 1 2 341.371 3.436 20 5 EGBDLO CC(C)(C)OC(=O)c1ccc(NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001161688637 1382480993 /nfs/dbraw/zinc/48/09/93/1382480993.db2.gz XQFWRLYDUKCECP-UHFFFAOYSA-N 1 2 346.387 3.249 20 5 EGBDLO O=[N+]([O-])c1c(NCCc2cn3ccccc3[nH+]2)ccc2cnccc21 ZINC001169004200 1384084614 /nfs/dbraw/zinc/08/46/14/1384084614.db2.gz LHNJJTIBFYHMCY-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO Cc1c(NCCc2cn3ccccc3[nH+]2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169003423 1384084645 /nfs/dbraw/zinc/08/46/45/1384084645.db2.gz GDVONVUDGJQWCQ-UHFFFAOYSA-N 1 2 341.327 3.114 20 5 EGBDLO C[N@H+](Cc1ccsc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102675606 219221667 /nfs/dbraw/zinc/22/16/67/219221667.db2.gz NNVTYDGUYFIXLA-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO C[N@@H+](Cc1ccsc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102675606 219221670 /nfs/dbraw/zinc/22/16/70/219221670.db2.gz NNVTYDGUYFIXLA-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO CCC1(O)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000266234499 248192596 /nfs/dbraw/zinc/19/25/96/248192596.db2.gz KCOOWEULMLHDLE-UHFFFAOYSA-N 1 2 342.399 3.102 20 5 EGBDLO O=C1OCC[C@H]1Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246580 284955417 /nfs/dbraw/zinc/95/54/17/284955417.db2.gz DUGLWUHITALGFQ-OAHLLOKOSA-N 1 2 335.388 3.443 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000346428366 141193135 /nfs/dbraw/zinc/19/31/35/141193135.db2.gz VJYIVSWVFYLULV-UHFFFAOYSA-N 1 2 329.747 3.441 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2ccc(CNc3ccc(CO)c[nH+]3)o2)c1 ZINC000356313778 141339604 /nfs/dbraw/zinc/33/96/04/141339604.db2.gz DUVWWAGZCYEYSV-UHFFFAOYSA-N 1 2 325.324 3.354 20 5 EGBDLO Cn1cc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000184599538 144095906 /nfs/dbraw/zinc/09/59/06/144095906.db2.gz GNEXYKGJSVQBFO-GOSISDBHSA-N 1 2 340.358 3.347 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000119955025 152240557 /nfs/dbraw/zinc/24/05/57/152240557.db2.gz VRSKQAZTCSZGGF-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO COC(=O)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000119955025 152240559 /nfs/dbraw/zinc/24/05/59/152240559.db2.gz VRSKQAZTCSZGGF-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO COc1cc(CNc2cc(C(F)(F)F)cc[nH+]2)c([N+](=O)[O-])cc1O ZINC000192148640 153245702 /nfs/dbraw/zinc/24/57/02/153245702.db2.gz UKPGCDKFXSXIHS-UHFFFAOYSA-N 1 2 343.261 3.335 20 5 EGBDLO COc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000195294111 153392311 /nfs/dbraw/zinc/39/23/11/153392311.db2.gz FLSYKYSQMCRBLR-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000372744737 157375897 /nfs/dbraw/zinc/37/58/97/157375897.db2.gz VHTXKIDOEIAHKE-ZDUSSCGKSA-N 1 2 343.387 3.107 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OC ZINC000352097346 165234244 /nfs/dbraw/zinc/23/42/44/165234244.db2.gz RMRBGYQWTKSABX-ZDUSSCGKSA-N 1 2 347.371 3.246 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OC ZINC000352097346 165234249 /nfs/dbraw/zinc/23/42/49/165234249.db2.gz RMRBGYQWTKSABX-ZDUSSCGKSA-N 1 2 347.371 3.246 20 5 EGBDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000352352068 165358458 /nfs/dbraw/zinc/35/84/58/165358458.db2.gz CJDCIVGFCBAHMS-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000352352068 165358460 /nfs/dbraw/zinc/35/84/60/165358460.db2.gz CJDCIVGFCBAHMS-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000355743139 166294419 /nfs/dbraw/zinc/29/44/19/166294419.db2.gz AXQQZVJIAWDJAE-UHFFFAOYSA-N 1 2 339.286 3.022 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](CC2CC2)C1 ZINC000359686822 167208851 /nfs/dbraw/zinc/20/88/51/167208851.db2.gz HKLOFJGWXPCOLZ-AWEZNQCLSA-N 1 2 340.383 3.043 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000268478473 266283829 /nfs/dbraw/zinc/28/38/29/266283829.db2.gz NQJBAPSKBSLUIR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000268478473 266283831 /nfs/dbraw/zinc/28/38/31/266283831.db2.gz NQJBAPSKBSLUIR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000268478473 266283833 /nfs/dbraw/zinc/28/38/33/266283833.db2.gz NQJBAPSKBSLUIR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000268478473 266283834 /nfs/dbraw/zinc/28/38/34/266283834.db2.gz NQJBAPSKBSLUIR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268478473 266283835 /nfs/dbraw/zinc/28/38/35/266283835.db2.gz NQJBAPSKBSLUIR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268478473 266283837 /nfs/dbraw/zinc/28/38/37/266283837.db2.gz NQJBAPSKBSLUIR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273355237 267025912 /nfs/dbraw/zinc/02/59/12/267025912.db2.gz DFHDTOTUPXBJGZ-UHFFFAOYSA-N 1 2 347.350 3.143 20 5 EGBDLO COc1cc(NCCCc2cccc(C)[nH+]2)c([N+](=O)[O-])cc1OC ZINC000286607800 276022864 /nfs/dbraw/zinc/02/28/64/276022864.db2.gz PYJSMPYTIZWZSY-UHFFFAOYSA-N 1 2 331.372 3.360 20 5 EGBDLO COc1cc[nH+]cc1COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000288418383 276211888 /nfs/dbraw/zinc/21/18/88/276211888.db2.gz BLBVWIRXQSXFBI-LLVKDONJSA-N 1 2 348.380 3.222 20 5 EGBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304076 276318911 /nfs/dbraw/zinc/31/89/11/276318911.db2.gz BVAREYOEINDVNL-SQFXPLBJSA-N 1 2 339.244 3.100 20 5 EGBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304076 276318912 /nfs/dbraw/zinc/31/89/12/276318912.db2.gz BVAREYOEINDVNL-SQFXPLBJSA-N 1 2 339.244 3.100 20 5 EGBDLO CC1(CO)CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289592616 276363077 /nfs/dbraw/zinc/36/30/77/276363077.db2.gz SEYVOOCYIJRVFH-UHFFFAOYSA-N 1 2 333.215 3.496 20 5 EGBDLO COCCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289621055 276367637 /nfs/dbraw/zinc/36/76/37/276367637.db2.gz VCTGQIFJFPKCKP-GFCCVEGCSA-N 1 2 349.214 3.139 20 5 EGBDLO COCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289621055 276367639 /nfs/dbraw/zinc/36/76/39/276367639.db2.gz VCTGQIFJFPKCKP-GFCCVEGCSA-N 1 2 349.214 3.139 20 5 EGBDLO Cc1cc(N[C@@H]2CS[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413513122 309035205 /nfs/dbraw/zinc/03/52/05/309035205.db2.gz IMTCPBHRBCGDKA-AAEUAGOBSA-N 1 2 330.413 3.088 20 5 EGBDLO Cc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(C)[nH+]1 ZINC000121605518 307521256 /nfs/dbraw/zinc/52/12/56/307521256.db2.gz SIJFUQCBVSTSAZ-UHFFFAOYSA-N 1 2 337.339 3.045 20 5 EGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135213687 307699683 /nfs/dbraw/zinc/69/96/83/307699683.db2.gz RLARYQILIPKHAU-UHFFFAOYSA-N 1 2 326.287 3.376 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294811917 308259864 /nfs/dbraw/zinc/25/98/64/308259864.db2.gz NYPUMASIJNZSGC-UHFFFAOYSA-N 1 2 342.186 3.187 20 5 EGBDLO Cn1nccc1[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413073311 309014656 /nfs/dbraw/zinc/01/46/56/309014656.db2.gz PRDUQOMZAFPCQF-AWEZNQCLSA-N 1 2 337.383 3.261 20 5 EGBDLO CCO[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@]12CCCO2 ZINC000413234613 309022906 /nfs/dbraw/zinc/02/29/06/309022906.db2.gz PDOMQGWLMYZFLI-NUJGCVRESA-N 1 2 343.383 3.282 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419369692 309265566 /nfs/dbraw/zinc/26/55/66/309265566.db2.gz FRNCGZLTWDDSPV-HNNXBMFYSA-N 1 2 349.456 3.059 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419369692 309265567 /nfs/dbraw/zinc/26/55/67/309265567.db2.gz FRNCGZLTWDDSPV-HNNXBMFYSA-N 1 2 349.456 3.059 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000421391466 309322528 /nfs/dbraw/zinc/32/25/28/309322528.db2.gz OXDGQPLDJBWEHP-OKILXGFUSA-N 1 2 338.404 3.001 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000421391466 309322529 /nfs/dbraw/zinc/32/25/29/309322529.db2.gz OXDGQPLDJBWEHP-OKILXGFUSA-N 1 2 338.404 3.001 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000425034969 309463192 /nfs/dbraw/zinc/46/31/92/309463192.db2.gz GDPGMPXWHGYMAG-CHWSQXEVSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(C)(C)[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447814345 309989582 /nfs/dbraw/zinc/98/95/82/309989582.db2.gz ZOFFRCVQGCNXTH-INIZCTEOSA-N 1 2 347.459 3.299 20 5 EGBDLO C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448669197 310011611 /nfs/dbraw/zinc/01/16/11/310011611.db2.gz RNRFRAVOXXQQLJ-UKRRQHHQSA-N 1 2 342.399 3.431 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449416047 310060094 /nfs/dbraw/zinc/06/00/94/310060094.db2.gz RLTREFMWJVBGHL-BVBGJJFLSA-N 1 2 326.400 3.425 20 5 EGBDLO CCOc1cc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000450651124 310135174 /nfs/dbraw/zinc/13/51/74/310135174.db2.gz RRDIOUHNWPAAPY-OAHLLOKOSA-N 1 2 330.388 3.315 20 5 EGBDLO CC(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450984997 310153653 /nfs/dbraw/zinc/15/36/53/310153653.db2.gz ZDISSFDGEUOVGT-OAHLLOKOSA-N 1 2 342.399 3.289 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451802761 310197859 /nfs/dbraw/zinc/19/78/59/310197859.db2.gz TWAVBMKOWQJVFQ-GOSISDBHSA-N 1 2 330.359 3.350 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451802761 310197860 /nfs/dbraw/zinc/19/78/60/310197860.db2.gz TWAVBMKOWQJVFQ-GOSISDBHSA-N 1 2 330.359 3.350 20 5 EGBDLO CCOc1cccc(C[N@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000452049253 310209452 /nfs/dbraw/zinc/20/94/52/310209452.db2.gz RMAYMBXEHDSJSJ-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO CCOc1cccc(C[N@@H+](CCO)Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000452049253 310209453 /nfs/dbraw/zinc/20/94/53/310209453.db2.gz RMAYMBXEHDSJSJ-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452757204 310240856 /nfs/dbraw/zinc/24/08/56/310240856.db2.gz PPQBVRRIFYEECZ-UHFFFAOYSA-N 1 2 334.763 3.342 20 5 EGBDLO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc21 ZINC000456289612 310396780 /nfs/dbraw/zinc/39/67/80/310396780.db2.gz XLZLQEGTRGVANG-OAHLLOKOSA-N 1 2 341.367 3.102 20 5 EGBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000491389820 311176847 /nfs/dbraw/zinc/17/68/47/311176847.db2.gz YGXRUKZEVFXJEV-WHLNPGIBSA-N 1 2 326.356 3.085 20 5 EGBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491895887 311196309 /nfs/dbraw/zinc/19/63/09/311196309.db2.gz RCTSKKRJVACNLB-BQYQJAHWSA-N 1 2 348.362 3.110 20 5 EGBDLO CCn1cc[nH+]c1/C=C\C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492494861 311257542 /nfs/dbraw/zinc/25/75/42/311257542.db2.gz SWWUIPHTWDHVRE-HJWRWDBZSA-N 1 2 340.383 3.016 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000506340261 312047574 /nfs/dbraw/zinc/04/75/74/312047574.db2.gz HFWRCYBCISDCFW-ZDUSSCGKSA-N 1 2 346.383 3.474 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000506340261 312047577 /nfs/dbraw/zinc/04/75/77/312047577.db2.gz HFWRCYBCISDCFW-ZDUSSCGKSA-N 1 2 346.383 3.474 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000536020822 314088420 /nfs/dbraw/zinc/08/84/20/314088420.db2.gz PQRHLQFRDGPRKX-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO Cc1cc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)ccc1[N+](=O)[O-] ZINC000544102571 314673352 /nfs/dbraw/zinc/67/33/52/314673352.db2.gz OFRVFQIYQAFVQD-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO Cc1n[nH]cc1C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000551992354 315185906 /nfs/dbraw/zinc/18/59/06/315185906.db2.gz REDHOJVFKBZWEF-UHFFFAOYSA-N 1 2 336.342 3.284 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000558002825 315545497 /nfs/dbraw/zinc/54/54/97/315545497.db2.gz OOJMBPWIEVIYTH-AWEZNQCLSA-N 1 2 340.387 3.055 20 5 EGBDLO Cc1ncc2c(n1)CC[C@@H](Nc1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000573085018 317435244 /nfs/dbraw/zinc/43/52/44/317435244.db2.gz VVZDBVOQEVFDAC-CQSZACIVSA-N 1 2 335.367 3.211 20 5 EGBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000183948310 323636302 /nfs/dbraw/zinc/63/63/02/323636302.db2.gz MMIUNPCKXZJEER-UHFFFAOYSA-N 1 2 348.428 3.132 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591253 453613866 /nfs/dbraw/zinc/61/38/66/453613866.db2.gz XBTGGLFGERCQDH-GHMZBOCLSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591253 453613871 /nfs/dbraw/zinc/61/38/71/453613871.db2.gz XBTGGLFGERCQDH-GHMZBOCLSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032654772 453882229 /nfs/dbraw/zinc/88/22/29/453882229.db2.gz SRFQDURGXIZCBV-OCCSQVGLSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056197145 454043449 /nfs/dbraw/zinc/04/34/49/454043449.db2.gz HPOXVRPJWXOBQW-FZKQIMNGSA-N 1 2 339.395 3.265 20 5 EGBDLO CN(C)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000043342156 454057059 /nfs/dbraw/zinc/05/70/59/454057059.db2.gz YKZDOTGSXFPFNV-UHFFFAOYSA-N 1 2 349.778 3.031 20 5 EGBDLO CC[N@H+](CCCNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000044356993 454098402 /nfs/dbraw/zinc/09/84/02/454098402.db2.gz PEZWSKUDRJIHIM-UHFFFAOYSA-N 1 2 333.413 3.303 20 5 EGBDLO CC[N@@H+](CCCNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000044356993 454098403 /nfs/dbraw/zinc/09/84/03/454098403.db2.gz PEZWSKUDRJIHIM-UHFFFAOYSA-N 1 2 333.413 3.303 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000057516665 454134022 /nfs/dbraw/zinc/13/40/22/454134022.db2.gz QJWKUEINCZWYON-UHFFFAOYSA-N 1 2 342.399 3.074 20 5 EGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000246060913 455419370 /nfs/dbraw/zinc/41/93/70/455419370.db2.gz YIMCCUSRTJJHIY-GHMZBOCLSA-N 1 2 325.796 3.165 20 5 EGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000246060913 455419374 /nfs/dbraw/zinc/41/93/74/455419374.db2.gz YIMCCUSRTJJHIY-GHMZBOCLSA-N 1 2 325.796 3.165 20 5 EGBDLO C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1[nH+]ccn1C ZINC000070444790 454168620 /nfs/dbraw/zinc/16/86/20/454168620.db2.gz FCJNVRNWKKCHNU-QMMMGPOBSA-N 1 2 325.166 3.264 20 5 EGBDLO CC1CCC(N(C)C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046598989 454264196 /nfs/dbraw/zinc/26/41/96/454264196.db2.gz QMKOWXBVNXDULH-UHFFFAOYSA-N 1 2 333.432 3.064 20 5 EGBDLO CC1CCC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046598989 454264197 /nfs/dbraw/zinc/26/41/97/454264197.db2.gz QMKOWXBVNXDULH-UHFFFAOYSA-N 1 2 333.432 3.064 20 5 EGBDLO CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073322890 454420985 /nfs/dbraw/zinc/42/09/85/454420985.db2.gz HGQKGYBDXZMYMZ-GXTWGEPZSA-N 1 2 328.372 3.041 20 5 EGBDLO O=[N+]([O-])c1ccc(SCC[NH+]2CCOCC2)cc1C(F)(F)F ZINC000134579365 454563172 /nfs/dbraw/zinc/56/31/72/454563172.db2.gz QEHVWTAJIOPGAU-UHFFFAOYSA-N 1 2 336.335 3.038 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000080641637 454611335 /nfs/dbraw/zinc/61/13/35/454611335.db2.gz DUTUOBNCAQZGDX-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO COc1cc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000092729140 454617319 /nfs/dbraw/zinc/61/73/19/454617319.db2.gz DCWGZNVZVTYEEO-CYBMUJFWSA-N 1 2 346.387 3.062 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081019078 454673013 /nfs/dbraw/zinc/67/30/13/454673013.db2.gz QUYMBTUFPINNKT-HNNXBMFYSA-N 1 2 341.411 3.179 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000081019078 454673016 /nfs/dbraw/zinc/67/30/16/454673016.db2.gz QUYMBTUFPINNKT-HNNXBMFYSA-N 1 2 341.411 3.179 20 5 EGBDLO C[C@@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000106537462 454699886 /nfs/dbraw/zinc/69/98/86/454699886.db2.gz LEFYEMOVESQNLY-DOMZBBRYSA-N 1 2 343.387 3.316 20 5 EGBDLO C[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000106537461 454699916 /nfs/dbraw/zinc/69/99/16/454699916.db2.gz LEFYEMOVESQNLY-WFASDCNBSA-N 1 2 343.387 3.316 20 5 EGBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000161783815 454723527 /nfs/dbraw/zinc/72/35/27/454723527.db2.gz FHBQPONEVSMDDM-UHFFFAOYSA-N 1 2 338.323 3.002 20 5 EGBDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288769 454778638 /nfs/dbraw/zinc/77/86/38/454778638.db2.gz KSUGLFKMBRHLBN-GJZGRUSLSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288769 454778642 /nfs/dbraw/zinc/77/86/42/454778642.db2.gz KSUGLFKMBRHLBN-GJZGRUSLSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153301608 454780392 /nfs/dbraw/zinc/78/03/92/454780392.db2.gz AJNDPHYKDKHUBM-HUUCEWRRSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153301608 454780395 /nfs/dbraw/zinc/78/03/95/454780395.db2.gz AJNDPHYKDKHUBM-HUUCEWRRSA-N 1 2 345.443 3.349 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167894376 454923681 /nfs/dbraw/zinc/92/36/81/454923681.db2.gz ZHKYCCYRDZXAQI-SWLSCSKDSA-N 1 2 329.404 3.495 20 5 EGBDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775151 454975615 /nfs/dbraw/zinc/97/56/15/454975615.db2.gz TXGVAUNEADVRQR-CQSZACIVSA-N 1 2 333.432 3.206 20 5 EGBDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775151 454975618 /nfs/dbraw/zinc/97/56/18/454975618.db2.gz TXGVAUNEADVRQR-CQSZACIVSA-N 1 2 333.432 3.206 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])cc1F ZINC000184272665 455368001 /nfs/dbraw/zinc/36/80/01/455368001.db2.gz VCIADXQXQTVSPH-HNNXBMFYSA-N 1 2 331.347 3.475 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])cc1F ZINC000184272665 455368003 /nfs/dbraw/zinc/36/80/03/455368003.db2.gz VCIADXQXQTVSPH-HNNXBMFYSA-N 1 2 331.347 3.475 20 5 EGBDLO COc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000190789408 455383648 /nfs/dbraw/zinc/38/36/48/455383648.db2.gz DXYNDIOMVKFQDQ-CYBMUJFWSA-N 1 2 344.371 3.002 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3O)CC2)c(Cl)c1 ZINC000182046857 455422883 /nfs/dbraw/zinc/42/28/83/455422883.db2.gz RFOKEYCRKZHDGI-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000175252867 455430392 /nfs/dbraw/zinc/43/03/92/455430392.db2.gz ZYWXFRDKZHCLMH-WDEREUQCSA-N 1 2 334.401 3.038 20 5 EGBDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000175252901 455430940 /nfs/dbraw/zinc/43/09/40/455430940.db2.gz ZYWXFRDKZHCLMH-GHMZBOCLSA-N 1 2 334.401 3.038 20 5 EGBDLO Cc1cc(F)c(NC(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000283899403 455609411 /nfs/dbraw/zinc/60/94/11/455609411.db2.gz JIVNUHBPSAVIIQ-UHFFFAOYSA-N 1 2 347.350 3.061 20 5 EGBDLO Cc1ccoc1C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000292413606 455655802 /nfs/dbraw/zinc/65/58/02/455655802.db2.gz UUWHZUKHNQPQNM-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO Cc1ccoc1C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000292413606 455655808 /nfs/dbraw/zinc/65/58/08/455655808.db2.gz UUWHZUKHNQPQNM-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000285312306 455821114 /nfs/dbraw/zinc/82/11/14/455821114.db2.gz IEEANHKXWWNHLT-OAHLLOKOSA-N 1 2 330.388 3.444 20 5 EGBDLO CCOc1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000285312306 455821119 /nfs/dbraw/zinc/82/11/19/455821119.db2.gz IEEANHKXWWNHLT-OAHLLOKOSA-N 1 2 330.388 3.444 20 5 EGBDLO Cc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301461730 456122262 /nfs/dbraw/zinc/12/22/62/456122262.db2.gz ZSXVFCQVMCXAPV-VXGBXAGGSA-N 1 2 327.812 3.078 20 5 EGBDLO Cc1cc(N2CCN(c3sccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000301940556 456255481 /nfs/dbraw/zinc/25/54/81/456255481.db2.gz UPFDLTNSPMJQAO-UHFFFAOYSA-N 1 2 347.444 3.205 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c(Cl)c1 ZINC000281573941 456268617 /nfs/dbraw/zinc/26/86/17/456268617.db2.gz CTBRKYRSMKGYGI-QGZVFWFLSA-N 1 2 348.786 3.008 20 5 EGBDLO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352764366 456284893 /nfs/dbraw/zinc/28/48/93/456284893.db2.gz WDRDBEMQMSDJLS-CQSZACIVSA-N 1 2 342.380 3.241 20 5 EGBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccccc2)cs1 ZINC000348051507 456447582 /nfs/dbraw/zinc/44/75/82/456447582.db2.gz XDGBECPAAFHNLU-NSHDSACASA-N 1 2 343.412 3.303 20 5 EGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1C ZINC000343288906 456510598 /nfs/dbraw/zinc/51/05/98/456510598.db2.gz YMXBMWSQQYNRJH-UHFFFAOYSA-N 1 2 348.428 3.006 20 5 EGBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000348330106 456627893 /nfs/dbraw/zinc/62/78/93/456627893.db2.gz HDVMFQDSPNAZMQ-UHFFFAOYSA-N 1 2 343.383 3.226 20 5 EGBDLO Cc1nc(C2([NH2+]CCOc3cccc([N+](=O)[O-])c3)CCCCC2)no1 ZINC000299249676 456642322 /nfs/dbraw/zinc/64/23/22/456642322.db2.gz BHRIRGIMKDMZPB-UHFFFAOYSA-N 1 2 346.387 3.114 20 5 EGBDLO CC(C)[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000299373707 456672734 /nfs/dbraw/zinc/67/27/34/456672734.db2.gz LPTHEQNOTFJKPS-UHFFFAOYSA-N 1 2 332.356 3.465 20 5 EGBDLO CC(C)[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000299373707 456672740 /nfs/dbraw/zinc/67/27/40/456672740.db2.gz LPTHEQNOTFJKPS-UHFFFAOYSA-N 1 2 332.356 3.465 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299493208 456709281 /nfs/dbraw/zinc/70/92/81/456709281.db2.gz GKQLYXLCBVUINC-CYBMUJFWSA-N 1 2 334.763 3.339 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338323370 456771935 /nfs/dbraw/zinc/77/19/35/456771935.db2.gz ASKMMURSRBZONR-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338323370 456771940 /nfs/dbraw/zinc/77/19/40/456771940.db2.gz ASKMMURSRBZONR-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301172418 456813423 /nfs/dbraw/zinc/81/34/23/456813423.db2.gz KJZHDPXTHCRMGI-GOSISDBHSA-N 1 2 341.411 3.389 20 5 EGBDLO C[C@H]1CCCN(c2cc(NCc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000301239813 456830536 /nfs/dbraw/zinc/83/05/36/456830536.db2.gz LWCFZKBKLDYSOV-ZDUSSCGKSA-N 1 2 327.388 3.233 20 5 EGBDLO C[C@H]1CCCN(c2cc(NCc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000301239813 456830542 /nfs/dbraw/zinc/83/05/42/456830542.db2.gz LWCFZKBKLDYSOV-ZDUSSCGKSA-N 1 2 327.388 3.233 20 5 EGBDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000330728941 457077855 /nfs/dbraw/zinc/07/78/55/457077855.db2.gz HDEBHTSJQKTSNQ-WFASDCNBSA-N 1 2 346.387 3.063 20 5 EGBDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000330728941 457077862 /nfs/dbraw/zinc/07/78/62/457077862.db2.gz HDEBHTSJQKTSNQ-WFASDCNBSA-N 1 2 346.387 3.063 20 5 EGBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000350050174 457154367 /nfs/dbraw/zinc/15/43/67/457154367.db2.gz DPKIFLYHTPZNAU-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000350050174 457154374 /nfs/dbraw/zinc/15/43/74/457154374.db2.gz DPKIFLYHTPZNAU-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332278715 457340144 /nfs/dbraw/zinc/34/01/44/457340144.db2.gz GZZRGFVROKDNGI-UHFFFAOYSA-N 1 2 343.387 3.346 20 5 EGBDLO Nc1c(F)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000356165005 457500568 /nfs/dbraw/zinc/50/05/68/457500568.db2.gz ISYGMKVKDDEZTG-UHFFFAOYSA-N 1 2 345.309 3.253 20 5 EGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000357818683 457700720 /nfs/dbraw/zinc/70/07/20/457700720.db2.gz UCVCAERMCBIJDH-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000458214679 457971633 /nfs/dbraw/zinc/97/16/33/457971633.db2.gz TYRSKZMDRVUXFH-UHFFFAOYSA-N 1 2 328.372 3.041 20 5 EGBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000358587868 458093126 /nfs/dbraw/zinc/09/31/26/458093126.db2.gz KYVWVIHSZCFLOK-UHFFFAOYSA-N 1 2 338.323 3.040 20 5 EGBDLO O=C(NCc1c[nH]c[nH+]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000358587868 458093132 /nfs/dbraw/zinc/09/31/32/458093132.db2.gz KYVWVIHSZCFLOK-UHFFFAOYSA-N 1 2 338.323 3.040 20 5 EGBDLO CCc1ccnc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000435594677 458169272 /nfs/dbraw/zinc/16/92/72/458169272.db2.gz RUIHFFJQFBREQY-UHFFFAOYSA-N 1 2 349.394 3.352 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000369348385 458183293 /nfs/dbraw/zinc/18/32/93/458183293.db2.gz IEZCYCHKLYQLNM-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000372244089 458244766 /nfs/dbraw/zinc/24/47/66/458244766.db2.gz HEVSBGUQBFAECI-NSHDSACASA-N 1 2 348.790 3.061 20 5 EGBDLO CC(C)[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447809959 458344900 /nfs/dbraw/zinc/34/49/00/458344900.db2.gz FCPPNLIBVWBLKH-QGZVFWFLSA-N 1 2 347.459 3.299 20 5 EGBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000447807077 458345549 /nfs/dbraw/zinc/34/55/49/458345549.db2.gz PCDCPYCGBKHENZ-JKSUJKDBSA-N 1 2 347.459 3.299 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437540203 458464509 /nfs/dbraw/zinc/46/45/09/458464509.db2.gz VVUASQKZRMWSGS-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000437540203 458464512 /nfs/dbraw/zinc/46/45/12/458464512.db2.gz VVUASQKZRMWSGS-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1nc2ccccc2o1 ZINC000431603076 458594303 /nfs/dbraw/zinc/59/43/03/458594303.db2.gz IENBNORRXYWUNL-UHFFFAOYSA-N 1 2 327.340 3.377 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000431603076 458594309 /nfs/dbraw/zinc/59/43/09/458594309.db2.gz IENBNORRXYWUNL-UHFFFAOYSA-N 1 2 327.340 3.377 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456401010 458664443 /nfs/dbraw/zinc/66/44/43/458664443.db2.gz DNIFUKPUXUYJNF-YPMHNXCESA-N 1 2 328.372 3.152 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000464844117 458782888 /nfs/dbraw/zinc/78/28/88/458782888.db2.gz DMTMZLKJBHMUIE-YJBOKZPZSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000464844117 458782891 /nfs/dbraw/zinc/78/28/91/458782891.db2.gz DMTMZLKJBHMUIE-YJBOKZPZSA-N 1 2 342.395 3.436 20 5 EGBDLO CC[C@@H]([NH2+]Cc1n[nH]cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000532224368 459050323 /nfs/dbraw/zinc/05/03/23/459050323.db2.gz WDMIYVROPBFEGT-GFCCVEGCSA-N 1 2 339.193 3.321 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCn3ccnc32)cc(C(F)(F)F)c1 ZINC000594499776 459063236 /nfs/dbraw/zinc/06/32/36/459063236.db2.gz JLVNMKSNRQNKPK-CYBMUJFWSA-N 1 2 340.305 3.435 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000595009858 459214301 /nfs/dbraw/zinc/21/43/01/459214301.db2.gz DQLKXAYMQJPIJF-ZDUSSCGKSA-N 1 2 340.383 3.410 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cn2cc(C)ccc2[nH+]1 ZINC000595009858 459214306 /nfs/dbraw/zinc/21/43/06/459214306.db2.gz DQLKXAYMQJPIJF-ZDUSSCGKSA-N 1 2 340.383 3.410 20 5 EGBDLO Cc1noc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595285921 459266074 /nfs/dbraw/zinc/26/60/74/459266074.db2.gz BSLRUNFUZFBQHE-UHFFFAOYSA-N 1 2 345.277 3.422 20 5 EGBDLO Cc1noc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595285921 459266082 /nfs/dbraw/zinc/26/60/82/459266082.db2.gz BSLRUNFUZFBQHE-UHFFFAOYSA-N 1 2 345.277 3.422 20 5 EGBDLO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568450321 459289078 /nfs/dbraw/zinc/28/90/78/459289078.db2.gz SWMAZXPQAUKPGL-RHSMWYFYSA-N 1 2 334.416 3.385 20 5 EGBDLO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568450321 459289084 /nfs/dbraw/zinc/28/90/84/459289084.db2.gz SWMAZXPQAUKPGL-RHSMWYFYSA-N 1 2 334.416 3.385 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC([C@H]4CCOC4)CC3)c2c1 ZINC000591154992 459324463 /nfs/dbraw/zinc/32/44/63/459324463.db2.gz NXEFFLLHXKWZFK-HNNXBMFYSA-N 1 2 327.384 3.396 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1Cl ZINC000595550576 459344801 /nfs/dbraw/zinc/34/48/01/459344801.db2.gz VHZQUIRIPHOXJO-UHFFFAOYSA-N 1 2 325.752 3.185 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1Cl ZINC000595550576 459344805 /nfs/dbraw/zinc/34/48/05/459344805.db2.gz VHZQUIRIPHOXJO-UHFFFAOYSA-N 1 2 325.752 3.185 20 5 EGBDLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000560469108 459352808 /nfs/dbraw/zinc/35/28/08/459352808.db2.gz YJVVJRSWEDFFRE-GFCCVEGCSA-N 1 2 336.338 3.256 20 5 EGBDLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000560469108 459352815 /nfs/dbraw/zinc/35/28/15/459352815.db2.gz YJVVJRSWEDFFRE-GFCCVEGCSA-N 1 2 336.338 3.256 20 5 EGBDLO COC(=O)c1cc([C@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)oc1C ZINC000569067424 459387817 /nfs/dbraw/zinc/38/78/17/459387817.db2.gz LPKSTWRVDVUOSJ-NSHDSACASA-N 1 2 344.367 3.402 20 5 EGBDLO COC(=O)c1cc([C@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)oc1C ZINC000569067424 459387823 /nfs/dbraw/zinc/38/78/23/459387823.db2.gz LPKSTWRVDVUOSJ-NSHDSACASA-N 1 2 344.367 3.402 20 5 EGBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000573581583 459700379 /nfs/dbraw/zinc/70/03/79/459700379.db2.gz JPIYRBVDBZXZOU-SSDOTTSWSA-N 1 2 330.266 3.156 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000593061055 459760155 /nfs/dbraw/zinc/76/01/55/459760155.db2.gz GQTDVKWMDKNXKO-BLLLJJGKSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000593061055 459760158 /nfs/dbraw/zinc/76/01/58/459760158.db2.gz GQTDVKWMDKNXKO-BLLLJJGKSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CO1 ZINC000593061057 459760356 /nfs/dbraw/zinc/76/03/56/459760356.db2.gz GQTDVKWMDKNXKO-MLGOLLRUSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CO1 ZINC000593061057 459760362 /nfs/dbraw/zinc/76/03/62/459760362.db2.gz GQTDVKWMDKNXKO-MLGOLLRUSA-N 1 2 331.372 3.249 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)c(OC(F)F)c1 ZINC000544837172 459787089 /nfs/dbraw/zinc/78/70/89/459787089.db2.gz PWFBZAMGXGRRQQ-UHFFFAOYSA-N 1 2 326.303 3.285 20 5 EGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000602477659 459958155 /nfs/dbraw/zinc/95/81/55/459958155.db2.gz RYIMGBXBWHWYTN-UHFFFAOYSA-N 1 2 330.306 3.369 20 5 EGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000602477659 459958163 /nfs/dbraw/zinc/95/81/63/459958163.db2.gz RYIMGBXBWHWYTN-UHFFFAOYSA-N 1 2 330.306 3.369 20 5 EGBDLO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1C ZINC000602515959 459977620 /nfs/dbraw/zinc/97/76/20/459977620.db2.gz UMTZWXPPUCTNMY-CHWSQXEVSA-N 1 2 332.404 3.089 20 5 EGBDLO O=C(C[N@@H+]1CC[C@H](c2ccco2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609540175 459978110 /nfs/dbraw/zinc/97/81/10/459978110.db2.gz SABOCIGCNJRKIW-NSHDSACASA-N 1 2 349.774 3.269 20 5 EGBDLO O=C(C[N@H+]1CC[C@H](c2ccco2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609540175 459978118 /nfs/dbraw/zinc/97/81/18/459978118.db2.gz SABOCIGCNJRKIW-NSHDSACASA-N 1 2 349.774 3.269 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccncc1)OCCO2 ZINC000589192660 460048842 /nfs/dbraw/zinc/04/88/42/460048842.db2.gz SECKMPBTAOBLQD-HNNXBMFYSA-N 1 2 341.367 3.098 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccncc1)OCCO2 ZINC000589192660 460048848 /nfs/dbraw/zinc/04/88/48/460048848.db2.gz SECKMPBTAOBLQD-HNNXBMFYSA-N 1 2 341.367 3.098 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](CCCO)C2)cc1Br ZINC000602686939 460065299 /nfs/dbraw/zinc/06/52/99/460065299.db2.gz SLWCYYCYFJQLRZ-SECBINFHSA-N 1 2 349.250 3.013 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1Br ZINC000602686939 460065306 /nfs/dbraw/zinc/06/53/06/460065306.db2.gz SLWCYYCYFJQLRZ-SECBINFHSA-N 1 2 349.250 3.013 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000610217557 460084673 /nfs/dbraw/zinc/08/46/73/460084673.db2.gz DXBRPVCNFRZTHC-IBGZPJMESA-N 1 2 342.395 3.356 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000610217557 460084679 /nfs/dbraw/zinc/08/46/79/460084679.db2.gz DXBRPVCNFRZTHC-IBGZPJMESA-N 1 2 342.395 3.356 20 5 EGBDLO CC1(F)CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000602992802 460213737 /nfs/dbraw/zinc/21/37/37/460213737.db2.gz GIUXCNFSNJGIOL-UHFFFAOYSA-N 1 2 329.759 3.011 20 5 EGBDLO COC(=O)[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599667746 460303067 /nfs/dbraw/zinc/30/30/67/460303067.db2.gz GXLUJIWQNYSKPS-AWEZNQCLSA-N 1 2 344.342 3.006 20 5 EGBDLO COC(=O)[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599667746 460303071 /nfs/dbraw/zinc/30/30/71/460303071.db2.gz GXLUJIWQNYSKPS-AWEZNQCLSA-N 1 2 344.342 3.006 20 5 EGBDLO Cc1ccc(C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C2CC2)o1 ZINC000611254245 460318876 /nfs/dbraw/zinc/31/88/76/460318876.db2.gz FGMZRYUYWBVRDI-UHFFFAOYSA-N 1 2 344.367 3.432 20 5 EGBDLO Cc1ccc(C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C2CC2)o1 ZINC000611254245 460318879 /nfs/dbraw/zinc/31/88/79/460318879.db2.gz FGMZRYUYWBVRDI-UHFFFAOYSA-N 1 2 344.367 3.432 20 5 EGBDLO CCOC[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000473719832 517710022 /nfs/dbraw/zinc/71/00/22/517710022.db2.gz GGTZIBCRDUXNAH-INIZCTEOSA-N 1 2 344.415 3.255 20 5 EGBDLO O=C(NCCCC1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598216747 548109908 /nfs/dbraw/zinc/10/99/08/548109908.db2.gz UXLLYIYXXJOXNT-UHFFFAOYSA-N 1 2 328.372 3.091 20 5 EGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000732414768 575267783 /nfs/dbraw/zinc/26/77/83/575267783.db2.gz VXNVTEXOKRZNIB-GFCCVEGCSA-N 1 2 349.778 3.314 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000738321230 576313714 /nfs/dbraw/zinc/31/37/14/576313714.db2.gz URZPNZKFPSRBLY-GFCCVEGCSA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000738321230 576313717 /nfs/dbraw/zinc/31/37/17/576313717.db2.gz URZPNZKFPSRBLY-GFCCVEGCSA-N 1 2 336.285 3.277 20 5 EGBDLO C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000742606233 576791579 /nfs/dbraw/zinc/79/15/79/576791579.db2.gz RIVFIWMYIPPMJK-UHFFFAOYSA-N 1 2 331.416 3.033 20 5 EGBDLO C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000742606233 576791581 /nfs/dbraw/zinc/79/15/81/576791581.db2.gz RIVFIWMYIPPMJK-UHFFFAOYSA-N 1 2 331.416 3.033 20 5 EGBDLO C[N@H+](CCOCC1CC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000234285827 1296179996 /nfs/dbraw/zinc/17/99/96/1296179996.db2.gz KSPWYHXMKDJMOA-UHFFFAOYSA-N 1 2 343.221 3.216 20 5 EGBDLO C[N@@H+](CCOCC1CC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000234285827 1296179998 /nfs/dbraw/zinc/17/99/98/1296179998.db2.gz KSPWYHXMKDJMOA-UHFFFAOYSA-N 1 2 343.221 3.216 20 5 EGBDLO Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(N(C)C)[nH+]1 ZINC000749992499 1299320029 /nfs/dbraw/zinc/32/00/29/1299320029.db2.gz JXESOULFNWLQCM-UHFFFAOYSA-N 1 2 340.339 3.363 20 5 EGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000754496965 1300152323 /nfs/dbraw/zinc/15/23/23/1300152323.db2.gz BYXUBGRBKAPAMK-UHFFFAOYSA-N 1 2 341.298 3.277 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883003431 1302201475 /nfs/dbraw/zinc/20/14/75/1302201475.db2.gz PIUASCMWHSPNAQ-OAHLLOKOSA-N 1 2 340.387 3.170 20 5 EGBDLO CCOC(=O)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC000768542165 1302930333 /nfs/dbraw/zinc/93/03/33/1302930333.db2.gz OJFUEFZWDGZMIB-UHFFFAOYSA-N 1 2 328.796 3.269 20 5 EGBDLO CCOC(=O)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC000768542165 1302930342 /nfs/dbraw/zinc/93/03/42/1302930342.db2.gz OJFUEFZWDGZMIB-UHFFFAOYSA-N 1 2 328.796 3.269 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3c(C)cccc3C2)c([N+](=O)[O-])cc1OC ZINC000769338079 1303094962 /nfs/dbraw/zinc/09/49/62/1303094962.db2.gz KMQNFQYBIMRJHB-UHFFFAOYSA-N 1 2 342.395 3.479 20 5 EGBDLO COc1cc(C[N@H+]2CCc3c(C)cccc3C2)c([N+](=O)[O-])cc1OC ZINC000769338079 1303094967 /nfs/dbraw/zinc/09/49/67/1303094967.db2.gz KMQNFQYBIMRJHB-UHFFFAOYSA-N 1 2 342.395 3.479 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000885946940 1303291926 /nfs/dbraw/zinc/29/19/26/1303291926.db2.gz VPEXUBMJMLNOBY-AWEZNQCLSA-N 1 2 333.413 3.233 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000885946940 1303291929 /nfs/dbraw/zinc/29/19/29/1303291929.db2.gz VPEXUBMJMLNOBY-AWEZNQCLSA-N 1 2 333.413 3.233 20 5 EGBDLO CCc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000770925804 1303334227 /nfs/dbraw/zinc/33/42/27/1303334227.db2.gz PJEIQQCINSEWSB-UHFFFAOYSA-N 1 2 325.324 3.162 20 5 EGBDLO Cc1[nH]c(C2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000886659849 1303543048 /nfs/dbraw/zinc/54/30/48/1303543048.db2.gz WZESGXCMZXMZAW-UHFFFAOYSA-N 1 2 332.379 3.453 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000773043232 1303613735 /nfs/dbraw/zinc/61/37/35/1303613735.db2.gz MUVVVXMJPRJVPL-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774634321 1303837570 /nfs/dbraw/zinc/83/75/70/1303837570.db2.gz DLSQDKAHQFWGEX-ZJUUUORDSA-N 1 2 340.836 3.381 20 5 EGBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774634321 1303837574 /nfs/dbraw/zinc/83/75/74/1303837574.db2.gz DLSQDKAHQFWGEX-ZJUUUORDSA-N 1 2 340.836 3.381 20 5 EGBDLO Cc1ccnc(OC2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000782513323 1304982990 /nfs/dbraw/zinc/98/29/90/1304982990.db2.gz BKJWAKSHYHBXNT-UHFFFAOYSA-N 1 2 345.374 3.481 20 5 EGBDLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000784012591 1305175705 /nfs/dbraw/zinc/17/57/05/1305175705.db2.gz SNBJVAIMOQITLH-BLLLJJGKSA-N 1 2 330.388 3.149 20 5 EGBDLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000784012591 1305175707 /nfs/dbraw/zinc/17/57/07/1305175707.db2.gz SNBJVAIMOQITLH-BLLLJJGKSA-N 1 2 330.388 3.149 20 5 EGBDLO COc1c(O)ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)c1[N+](=O)[O-] ZINC000892621686 1305475625 /nfs/dbraw/zinc/47/56/25/1305475625.db2.gz LLQUSUWBXUQHLS-ZWNOBZJWSA-N 1 2 332.356 3.315 20 5 EGBDLO C[N@@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794615872 1309554558 /nfs/dbraw/zinc/55/45/58/1309554558.db2.gz FFXYWAPFYRHTDZ-UHFFFAOYSA-N 1 2 347.758 3.246 20 5 EGBDLO C[N@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794615872 1309554563 /nfs/dbraw/zinc/55/45/63/1309554563.db2.gz FFXYWAPFYRHTDZ-UHFFFAOYSA-N 1 2 347.758 3.246 20 5 EGBDLO Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Cl)n1 ZINC000797590152 1310214791 /nfs/dbraw/zinc/21/47/91/1310214791.db2.gz ZREWXPCSAACMNZ-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCCO1 ZINC000799162656 1310495587 /nfs/dbraw/zinc/49/55/87/1310495587.db2.gz ZOULHMIPDVOMHQ-ZDUSSCGKSA-N 1 2 338.795 3.056 20 5 EGBDLO CC[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCCO1 ZINC000799162656 1310495593 /nfs/dbraw/zinc/49/55/93/1310495593.db2.gz ZOULHMIPDVOMHQ-ZDUSSCGKSA-N 1 2 338.795 3.056 20 5 EGBDLO CC[C@@H](c1nnc(SCC[N+](=O)[O-])n1C1CCCCC1)[NH+](C)C ZINC000899860950 1317187682 /nfs/dbraw/zinc/18/76/82/1317187682.db2.gz OBHPDHRUUQAERV-ZDUSSCGKSA-N 1 2 341.481 3.165 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1nncn1C)C(C)C ZINC000903066547 1317646282 /nfs/dbraw/zinc/64/62/82/1317646282.db2.gz VUNJSHJKWFRYLK-XHDPSFHLSA-N 1 2 349.460 3.493 20 5 EGBDLO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809966056 1317926260 /nfs/dbraw/zinc/92/62/60/1317926260.db2.gz VGNPLLVAVGNLSU-UWVGGRQHSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809966056 1317926265 /nfs/dbraw/zinc/92/62/65/1317926265.db2.gz VGNPLLVAVGNLSU-UWVGGRQHSA-N 1 2 333.215 3.494 20 5 EGBDLO Cc1ccc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(N(C)C)[nH+]1 ZINC000836474420 1320492200 /nfs/dbraw/zinc/49/22/00/1320492200.db2.gz AYMJAOLNTBIRJD-LBPRGKRZSA-N 1 2 343.387 3.247 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nnc2n1CCCCC2 ZINC000852627236 1323217845 /nfs/dbraw/zinc/21/78/45/1323217845.db2.gz GNGLKSGTYLMMIF-CQSZACIVSA-N 1 2 347.394 3.293 20 5 EGBDLO COc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)on1 ZINC000926303495 1325509308 /nfs/dbraw/zinc/50/93/08/1325509308.db2.gz MFHHHCLVOOJHKX-MRVPVSSYSA-N 1 2 345.277 3.461 20 5 EGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000933171575 1329869014 /nfs/dbraw/zinc/86/90/14/1329869014.db2.gz AAGKKVXQDLBFAM-GHMZBOCLSA-N 1 2 326.780 3.022 20 5 EGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000933171575 1329869015 /nfs/dbraw/zinc/86/90/15/1329869015.db2.gz AAGKKVXQDLBFAM-GHMZBOCLSA-N 1 2 326.780 3.022 20 5 EGBDLO COc1ccc(C[N@H+](CCCO)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000934508808 1329984433 /nfs/dbraw/zinc/98/44/33/1329984433.db2.gz SFVIBHNCZMEANW-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO COc1ccc(C[N@@H+](CCCO)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000934508808 1329984435 /nfs/dbraw/zinc/98/44/35/1329984435.db2.gz SFVIBHNCZMEANW-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO Cc1cc(C)c(C(=O)N(C)CCNc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC001102061374 1364829230 /nfs/dbraw/zinc/82/92/30/1364829230.db2.gz OKSIZXSRWGIQNB-UHFFFAOYSA-N 1 2 342.399 3.099 20 5 EGBDLO O=[N+]([O-])c1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1F ZINC001210381059 1372338446 /nfs/dbraw/zinc/33/84/46/1372338446.db2.gz ZWBOGPYTGMVZAL-UHFFFAOYSA-N 1 2 331.347 3.310 20 5 EGBDLO CN1CC[NH+](Cc2ccccc2Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001216483586 1373310510 /nfs/dbraw/zinc/31/05/10/1373310510.db2.gz AFAGWIZLUUOWOQ-UHFFFAOYSA-N 1 2 344.390 3.225 20 5 EGBDLO Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001226951138 1375368087 /nfs/dbraw/zinc/36/80/87/1375368087.db2.gz TXMGNTHWXAFDJB-SFHVURJKSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001226951138 1375368089 /nfs/dbraw/zinc/36/80/89/1375368089.db2.gz TXMGNTHWXAFDJB-SFHVURJKSA-N 1 2 342.395 3.183 20 5 EGBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001228971386 1375727588 /nfs/dbraw/zinc/72/75/88/1375727588.db2.gz OPQAIZXQDNWWIK-HNNXBMFYSA-N 1 2 344.367 3.049 20 5 EGBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001228971386 1375727594 /nfs/dbraw/zinc/72/75/94/1375727594.db2.gz OPQAIZXQDNWWIK-HNNXBMFYSA-N 1 2 344.367 3.049 20 5 EGBDLO Cc1cc(NC2CN(c3cccc[nH+]3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001161318931 1382369140 /nfs/dbraw/zinc/36/91/40/1382369140.db2.gz BLYKCLLUSHWDEY-UHFFFAOYSA-N 1 2 335.367 3.147 20 5 EGBDLO O=[N+]([O-])c1cc(F)cc(Br)c1NCCCn1cc[nH+]c1 ZINC001161681968 1382478861 /nfs/dbraw/zinc/47/88/61/1382478861.db2.gz HWWYSFTYZSMGTJ-UHFFFAOYSA-N 1 2 343.156 3.195 20 5 EGBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001167993577 1383791034 /nfs/dbraw/zinc/79/10/34/1383791034.db2.gz ZEPYBJPXSZZBBU-UHFFFAOYSA-N 1 2 343.293 3.453 20 5 EGBDLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216496 1384937703 /nfs/dbraw/zinc/93/77/03/1384937703.db2.gz BXFBTLLGWFYVTI-SUMWQHHRSA-N 1 2 334.416 3.237 20 5 EGBDLO CCOC(=O)[C@H](CC1CCC1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216495 1384937848 /nfs/dbraw/zinc/93/78/48/1384937848.db2.gz BXFBTLLGWFYVTI-GUYCJALGSA-N 1 2 334.416 3.237 20 5 EGBDLO CCOC(=O)C1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001173220923 1384938517 /nfs/dbraw/zinc/93/85/17/1384938517.db2.gz IEGNRNVPIVORAH-AWEZNQCLSA-N 1 2 334.416 3.381 20 5 EGBDLO Cn1cc[nH+]c1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC001353241998 1391971646 /nfs/dbraw/zinc/97/16/46/1391971646.db2.gz YAKIFDQGEKBLAF-UHFFFAOYSA-N 1 2 330.391 3.094 20 5 EGBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn21 ZINC000068570724 215319308 /nfs/dbraw/zinc/31/93/08/215319308.db2.gz AMSNJJHDTGAFPY-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO COc1cc(C[NH2+][C@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1F ZINC000184408235 235391103 /nfs/dbraw/zinc/39/11/03/235391103.db2.gz KODJCZYZEANGCK-SECBINFHSA-N 1 2 325.365 3.358 20 5 EGBDLO O=[N+]([O-])c1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000266089662 248089619 /nfs/dbraw/zinc/08/96/19/248089619.db2.gz DNRXNZRJDYJHCU-UHFFFAOYSA-N 1 2 327.384 3.039 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000266653725 248399449 /nfs/dbraw/zinc/39/94/49/248399449.db2.gz KAAHWQYCFBJESZ-INIZCTEOSA-N 1 2 328.372 3.007 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000266653725 248399451 /nfs/dbraw/zinc/39/94/51/248399451.db2.gz KAAHWQYCFBJESZ-INIZCTEOSA-N 1 2 328.372 3.007 20 5 EGBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000092102727 218119377 /nfs/dbraw/zinc/11/93/77/218119377.db2.gz FYYYENQWILMEDL-DIECRNLCSA-N 1 2 343.349 3.176 20 5 EGBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000092102727 218119381 /nfs/dbraw/zinc/11/93/81/218119381.db2.gz FYYYENQWILMEDL-DIECRNLCSA-N 1 2 343.349 3.176 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000340996903 155120349 /nfs/dbraw/zinc/12/03/49/155120349.db2.gz LAOHGWMTLGCONW-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000340996903 155120351 /nfs/dbraw/zinc/12/03/51/155120351.db2.gz LAOHGWMTLGCONW-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365229486 157094507 /nfs/dbraw/zinc/09/45/07/157094507.db2.gz UHQWQPDNUNDSLR-SNVBAGLBSA-N 1 2 349.778 3.383 20 5 EGBDLO Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000365395814 157112142 /nfs/dbraw/zinc/11/21/42/157112142.db2.gz PECGVCHJFXZZIZ-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000338658855 163308379 /nfs/dbraw/zinc/30/83/79/163308379.db2.gz JWKSVDZOENMXMW-UHFFFAOYSA-N 1 2 331.372 3.260 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343893330 164059925 /nfs/dbraw/zinc/05/99/25/164059925.db2.gz HFFGVMADMYIUCD-UHFFFAOYSA-N 1 2 340.314 3.101 20 5 EGBDLO C[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000344189004 164123060 /nfs/dbraw/zinc/12/30/60/164123060.db2.gz QLKQHBAQUDMSAJ-DZGCQCFKSA-N 1 2 342.399 3.479 20 5 EGBDLO C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000344455444 164182741 /nfs/dbraw/zinc/18/27/41/164182741.db2.gz YZTGMVIHNATTPF-CQSZACIVSA-N 1 2 327.384 3.078 20 5 EGBDLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000344455444 164182742 /nfs/dbraw/zinc/18/27/42/164182742.db2.gz YZTGMVIHNATTPF-CQSZACIVSA-N 1 2 327.384 3.078 20 5 EGBDLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347959256 164607307 /nfs/dbraw/zinc/60/73/07/164607307.db2.gz MHPJLMOSMUHNDV-UHFFFAOYSA-N 1 2 342.330 3.285 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](Cc2ccco2)CC1 ZINC000351971605 165173998 /nfs/dbraw/zinc/17/39/98/165173998.db2.gz UVFVUKVABUOQPQ-HNNXBMFYSA-N 1 2 329.400 3.375 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2ccco2)CC1 ZINC000351971605 165174000 /nfs/dbraw/zinc/17/40/00/165174000.db2.gz UVFVUKVABUOQPQ-HNNXBMFYSA-N 1 2 329.400 3.375 20 5 EGBDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000353268855 165702665 /nfs/dbraw/zinc/70/26/65/165702665.db2.gz SKHBNYBVHGPNAJ-CQSZACIVSA-N 1 2 345.424 3.034 20 5 EGBDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000353268855 165702667 /nfs/dbraw/zinc/70/26/67/165702667.db2.gz SKHBNYBVHGPNAJ-CQSZACIVSA-N 1 2 345.424 3.034 20 5 EGBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000357438076 166679708 /nfs/dbraw/zinc/67/97/08/166679708.db2.gz HWIRDSRRIUASIC-UHFFFAOYSA-N 1 2 337.339 3.069 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000359447154 167159455 /nfs/dbraw/zinc/15/94/55/167159455.db2.gz JBOAQZDEQUAFAB-UHFFFAOYSA-N 1 2 330.392 3.249 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359531048 167181717 /nfs/dbraw/zinc/18/17/17/167181717.db2.gz FFDOSNWNOPKEIK-QGZVFWFLSA-N 1 2 348.374 3.344 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000359561476 167194232 /nfs/dbraw/zinc/19/42/32/167194232.db2.gz VMQUGOYGLMKXNQ-UHFFFAOYSA-N 1 2 326.360 3.122 20 5 EGBDLO Cc1ccnc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000360210525 167271415 /nfs/dbraw/zinc/27/14/15/167271415.db2.gz ZFUMGNMWWLILKT-UHFFFAOYSA-N 1 2 345.374 3.481 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000366630716 168125537 /nfs/dbraw/zinc/12/55/37/168125537.db2.gz ZEZSAWQBMABGNL-MRXNPFEDSA-N 1 2 342.399 3.487 20 5 EGBDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c(Br)cc1[N+](=O)[O-] ZINC000235501929 266207923 /nfs/dbraw/zinc/20/79/23/266207923.db2.gz FTVWRXUBITWNKM-SNVBAGLBSA-N 1 2 339.193 3.363 20 5 EGBDLO COCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccco1 ZINC000273305333 267017249 /nfs/dbraw/zinc/01/72/49/267017249.db2.gz SIDIEPFYDHBFEE-LBPRGKRZSA-N 1 2 331.328 3.196 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274263545 267208217 /nfs/dbraw/zinc/20/82/17/267208217.db2.gz KXXRYRQXELVLAR-UHFFFAOYSA-N 1 2 343.387 3.346 20 5 EGBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000279792020 275359861 /nfs/dbraw/zinc/35/98/61/275359861.db2.gz OKJAFEYCXCLAPC-INIZCTEOSA-N 1 2 345.399 3.497 20 5 EGBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000279792020 275359863 /nfs/dbraw/zinc/35/98/63/275359863.db2.gz OKJAFEYCXCLAPC-INIZCTEOSA-N 1 2 345.399 3.497 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC2(CCOCC2)O1 ZINC000279823006 275362998 /nfs/dbraw/zinc/36/29/98/275362998.db2.gz QOGOJUYENQXARW-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC2(CCOCC2)O1 ZINC000279823006 275363000 /nfs/dbraw/zinc/36/30/00/275363000.db2.gz QOGOJUYENQXARW-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c(F)c1 ZINC000287806142 276159088 /nfs/dbraw/zinc/15/90/88/276159088.db2.gz OUFLIDUZDOPUFJ-CQSZACIVSA-N 1 2 349.337 3.059 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c(F)c1 ZINC000287806142 276159090 /nfs/dbraw/zinc/15/90/90/276159090.db2.gz OUFLIDUZDOPUFJ-CQSZACIVSA-N 1 2 349.337 3.059 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000289623025 276367872 /nfs/dbraw/zinc/36/78/72/276367872.db2.gz ROODFPDVZVVBRZ-JKSUJKDBSA-N 1 2 347.371 3.037 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000289623025 276367874 /nfs/dbraw/zinc/36/78/74/276367874.db2.gz ROODFPDVZVVBRZ-JKSUJKDBSA-N 1 2 347.371 3.037 20 5 EGBDLO CSc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000264544928 277532274 /nfs/dbraw/zinc/53/22/74/277532274.db2.gz FDCWJPDGJYXIRK-UHFFFAOYSA-N 1 2 344.440 3.034 20 5 EGBDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000175264359 279021230 /nfs/dbraw/zinc/02/12/30/279021230.db2.gz SHCKDOFVTLDKQW-WDEREUQCSA-N 1 2 334.401 3.038 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634870 280244180 /nfs/dbraw/zinc/24/41/80/280244180.db2.gz VNONIVKENPPELZ-GOEBONIOSA-N 1 2 333.432 3.206 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634870 280244181 /nfs/dbraw/zinc/24/41/81/280244181.db2.gz VNONIVKENPPELZ-GOEBONIOSA-N 1 2 333.432 3.206 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2nc(C)ccc2[N+](=O)[O-])C3)cc1 ZINC000362947600 280746296 /nfs/dbraw/zinc/74/62/96/280746296.db2.gz BDEQWENYOSPECL-UHFFFAOYSA-N 1 2 349.394 3.355 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053315042 307335241 /nfs/dbraw/zinc/33/52/41/307335241.db2.gz WQKLHLOHRIDEDS-GFCCVEGCSA-N 1 2 338.367 3.130 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069252666 307374447 /nfs/dbraw/zinc/37/44/47/307374447.db2.gz CSINHYZINIXWRL-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000414270588 309069863 /nfs/dbraw/zinc/06/98/63/309069863.db2.gz YRSORHIFQDQSMJ-VIFPVBQESA-N 1 2 326.278 3.254 20 5 EGBDLO CCC1(CC)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000294526796 308229377 /nfs/dbraw/zinc/22/93/77/308229377.db2.gz USDCSGUEKNRWQQ-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO Cc1ccc[nH+]c1CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000294975611 308277918 /nfs/dbraw/zinc/27/79/18/308277918.db2.gz LJLOVCJRKAYTKL-UHFFFAOYSA-N 1 2 340.383 3.228 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000295957347 308378624 /nfs/dbraw/zinc/37/86/24/308378624.db2.gz LWBFBQNPXLXSOW-UHFFFAOYSA-N 1 2 344.415 3.438 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000301188696 308691202 /nfs/dbraw/zinc/69/12/02/308691202.db2.gz LGBMCCFTINOQAT-UHFFFAOYSA-N 1 2 327.319 3.235 20 5 EGBDLO CC[C@H](C)[C@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301258233 308693704 /nfs/dbraw/zinc/69/37/04/308693704.db2.gz UKNGTWHCABVGCJ-XHDPSFHLSA-N 1 2 330.388 3.179 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCc3nnc4n3CCCCC4)c2c1 ZINC000413031593 309012444 /nfs/dbraw/zinc/01/24/44/309012444.db2.gz XPWANZMBQSLHEK-UHFFFAOYSA-N 1 2 338.371 3.073 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c(F)c1 ZINC000413030606 309012446 /nfs/dbraw/zinc/01/24/46/309012446.db2.gz DDMSSTUAFRGSFO-UHFFFAOYSA-N 1 2 341.346 3.389 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](n4cc(Cl)cn4)C3)c2c1 ZINC000413310917 309026123 /nfs/dbraw/zinc/02/61/23/309026123.db2.gz NTQAXXLHXLVUOZ-CQSZACIVSA-N 1 2 343.774 3.444 20 5 EGBDLO CCOC(C)(C)CNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000436472081 309756368 /nfs/dbraw/zinc/75/63/68/309756368.db2.gz YBHSSNHIUYPGJD-UHFFFAOYSA-N 1 2 344.415 3.263 20 5 EGBDLO CC(C)c1cnc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000446839804 309969281 /nfs/dbraw/zinc/96/92/81/309969281.db2.gz VDNNPKJDJLRWRO-UHFFFAOYSA-N 1 2 331.401 3.341 20 5 EGBDLO CC(C)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448793023 310018068 /nfs/dbraw/zinc/01/80/68/310018068.db2.gz RHEDZKYMMYZQPX-ZDUSSCGKSA-N 1 2 342.399 3.430 20 5 EGBDLO CC[C@H](C)[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000449403473 310059322 /nfs/dbraw/zinc/05/93/22/310059322.db2.gz QAUUAQFCQFBLEE-XKQJLSEDSA-N 1 2 346.431 3.068 20 5 EGBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449563075 310072191 /nfs/dbraw/zinc/07/21/91/310072191.db2.gz QXFPCANCDSEYRJ-JTQLQIEISA-N 1 2 340.330 3.263 20 5 EGBDLO CC[C@@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449995772 310098064 /nfs/dbraw/zinc/09/80/64/310098064.db2.gz XXSYPEWFXHYSRK-SFHVURJKSA-N 1 2 342.399 3.433 20 5 EGBDLO CC(C)CCc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000453019768 310253000 /nfs/dbraw/zinc/25/30/00/310253000.db2.gz LJMVAPOVGZNYPZ-UHFFFAOYSA-N 1 2 327.344 3.419 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454944293 310336789 /nfs/dbraw/zinc/33/67/89/310336789.db2.gz QFHIPKGVQGYHNR-ZYHUDNBSSA-N 1 2 329.360 3.236 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000455474067 310362534 /nfs/dbraw/zinc/36/25/34/310362534.db2.gz UURVFXGTBORRRV-UHFFFAOYSA-N 1 2 328.372 3.491 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000456338494 310399261 /nfs/dbraw/zinc/39/92/61/310399261.db2.gz BTQONOVDJWQYKP-LBPRGKRZSA-N 1 2 330.388 3.426 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456399492 310403998 /nfs/dbraw/zinc/40/39/98/310403998.db2.gz CXCLFXGCIKPVAX-ZWNOBZJWSA-N 1 2 346.412 3.339 20 5 EGBDLO CCCCN(CC)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490046074 311131022 /nfs/dbraw/zinc/13/10/22/311131022.db2.gz CAHBOVBGVYDFRX-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CCCCN(CC)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490046074 311131024 /nfs/dbraw/zinc/13/10/24/311131024.db2.gz CAHBOVBGVYDFRX-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000492392200 311245610 /nfs/dbraw/zinc/24/56/10/311245610.db2.gz NNWSZLSKHMTQOW-RMKNXTFCSA-N 1 2 348.362 3.315 20 5 EGBDLO CCOC(=O)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506430377 312049279 /nfs/dbraw/zinc/04/92/79/312049279.db2.gz BEBUXSQOZDJPRH-UHFFFAOYSA-N 1 2 334.397 3.318 20 5 EGBDLO CCOC(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506430377 312049280 /nfs/dbraw/zinc/04/92/80/312049280.db2.gz BEBUXSQOZDJPRH-UHFFFAOYSA-N 1 2 334.397 3.318 20 5 EGBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(F)c1 ZINC000506802945 312054502 /nfs/dbraw/zinc/05/45/02/312054502.db2.gz DRZHZQYJEYDBKW-ALCCZGGFSA-N 1 2 343.358 3.318 20 5 EGBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(F)c1 ZINC000506802945 312054506 /nfs/dbraw/zinc/05/45/06/312054506.db2.gz DRZHZQYJEYDBKW-ALCCZGGFSA-N 1 2 343.358 3.318 20 5 EGBDLO CCOC(=O)[C@H](c1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511108850 312155246 /nfs/dbraw/zinc/15/52/46/312155246.db2.gz NGBKGSSBTTXEJC-SFHVURJKSA-N 1 2 342.395 3.374 20 5 EGBDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511108850 312155249 /nfs/dbraw/zinc/15/52/49/312155249.db2.gz NGBKGSSBTTXEJC-SFHVURJKSA-N 1 2 342.395 3.374 20 5 EGBDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511124056 312155769 /nfs/dbraw/zinc/15/57/69/312155769.db2.gz LFHPSVOODFJAED-QGZVFWFLSA-N 1 2 346.358 3.123 20 5 EGBDLO COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511124056 312155772 /nfs/dbraw/zinc/15/57/72/312155772.db2.gz LFHPSVOODFJAED-QGZVFWFLSA-N 1 2 346.358 3.123 20 5 EGBDLO Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000532292499 313780301 /nfs/dbraw/zinc/78/03/01/313780301.db2.gz XTJZMTUJMOFHGI-UHFFFAOYSA-N 1 2 343.364 3.252 20 5 EGBDLO Cc1cc(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1C ZINC000535013658 314013019 /nfs/dbraw/zinc/01/30/19/314013019.db2.gz NVPDCCDQVFIMPV-UHFFFAOYSA-N 1 2 341.411 3.397 20 5 EGBDLO Cc1cc(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1C ZINC000535013658 314013021 /nfs/dbraw/zinc/01/30/21/314013021.db2.gz NVPDCCDQVFIMPV-UHFFFAOYSA-N 1 2 341.411 3.397 20 5 EGBDLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000535748908 314067636 /nfs/dbraw/zinc/06/76/36/314067636.db2.gz SMPUSYNIZNMFID-LLVKDONJSA-N 1 2 349.774 3.088 20 5 EGBDLO Cc1cccn2cc(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)[nH+]c12 ZINC000539757217 314334810 /nfs/dbraw/zinc/33/48/10/314334810.db2.gz RWNOHBHKFBCMQJ-UHFFFAOYSA-N 1 2 333.351 3.463 20 5 EGBDLO Cc1[nH+]c2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)ccc2n1C1CC1 ZINC000549792487 315104587 /nfs/dbraw/zinc/10/45/87/315104587.db2.gz DCZATBKBUSJYBU-UHFFFAOYSA-N 1 2 340.339 3.111 20 5 EGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000567276371 316593626 /nfs/dbraw/zinc/59/36/26/316593626.db2.gz GXPGPWQBIAZGEN-AWEZNQCLSA-N 1 2 330.388 3.180 20 5 EGBDLO CC(C)Oc1nc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000578143569 324926485 /nfs/dbraw/zinc/92/64/85/324926485.db2.gz UPEPPBRVOWTZKL-DZGCQCFKSA-N 1 2 345.403 3.061 20 5 EGBDLO CC(C)(C)c1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000580202033 325217954 /nfs/dbraw/zinc/21/79/54/325217954.db2.gz OLABTNAKGHUOMT-UHFFFAOYSA-N 1 2 330.388 3.281 20 5 EGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000580902551 325307908 /nfs/dbraw/zinc/30/79/08/325307908.db2.gz JUWUNKKVTNQEFN-SKDRFNHKSA-N 1 2 347.396 3.176 20 5 EGBDLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425421265 457546412 /nfs/dbraw/zinc/54/64/12/457546412.db2.gz NOBVVUGJMWOTPH-GWCFXTLKSA-N 1 2 343.221 3.093 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190436026 455316810 /nfs/dbraw/zinc/31/68/10/455316810.db2.gz HOQGRJQCYGIXBR-UHFFFAOYSA-N 1 2 345.403 3.298 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158703657 455323980 /nfs/dbraw/zinc/32/39/80/455323980.db2.gz OQDUGGWFHMXXCZ-LJQANCHMSA-N 1 2 342.370 3.408 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158703657 455323986 /nfs/dbraw/zinc/32/39/86/455323986.db2.gz OQDUGGWFHMXXCZ-LJQANCHMSA-N 1 2 342.370 3.408 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1F ZINC000021920142 453684601 /nfs/dbraw/zinc/68/46/01/453684601.db2.gz QOGUGAWTYLVSAS-LBPRGKRZSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1F ZINC000021920142 453684606 /nfs/dbraw/zinc/68/46/06/453684606.db2.gz QOGUGAWTYLVSAS-LBPRGKRZSA-N 1 2 331.347 3.193 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000025037795 453755852 /nfs/dbraw/zinc/75/58/52/453755852.db2.gz JGSUMPVMFBCOKO-UHFFFAOYSA-N 1 2 342.380 3.282 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612403796 460620742 /nfs/dbraw/zinc/62/07/42/460620742.db2.gz CXXFTTJNSBUHOP-INIZCTEOSA-N 1 2 332.331 3.093 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612403796 460620750 /nfs/dbraw/zinc/62/07/50/460620750.db2.gz CXXFTTJNSBUHOP-INIZCTEOSA-N 1 2 332.331 3.093 20 5 EGBDLO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000030029102 453833557 /nfs/dbraw/zinc/83/35/57/453833557.db2.gz UIKNHGGCVKOAOA-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000030029102 453833558 /nfs/dbraw/zinc/83/35/58/453833558.db2.gz UIKNHGGCVKOAOA-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccco1 ZINC000030276255 453834778 /nfs/dbraw/zinc/83/47/78/453834778.db2.gz LGBJIKFDMRTRQP-JTQLQIEISA-N 1 2 337.763 3.300 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccco1 ZINC000030276255 453834779 /nfs/dbraw/zinc/83/47/79/453834779.db2.gz LGBJIKFDMRTRQP-JTQLQIEISA-N 1 2 337.763 3.300 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067056612 453898169 /nfs/dbraw/zinc/89/81/69/453898169.db2.gz HURANIQQPCIQDU-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000054866873 453951882 /nfs/dbraw/zinc/95/18/82/453951882.db2.gz SHSULKZPYZVGIN-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057832800 454150071 /nfs/dbraw/zinc/15/00/71/454150071.db2.gz PITPIEOMTLDTRL-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000119894227 454233266 /nfs/dbraw/zinc/23/32/66/454233266.db2.gz LEHGBDWZGJZGMF-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000119894227 454233274 /nfs/dbraw/zinc/23/32/74/454233274.db2.gz LEHGBDWZGJZGMF-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO Cc1cnc(N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000078627625 454288719 /nfs/dbraw/zinc/28/87/19/454288719.db2.gz IJTNJDYCRRTFAX-OAHLLOKOSA-N 1 2 341.346 3.372 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000048374320 454482090 /nfs/dbraw/zinc/48/20/90/454482090.db2.gz WCJSLKUHIRGADG-CQSZACIVSA-N 1 2 331.397 3.432 20 5 EGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000048374320 454482096 /nfs/dbraw/zinc/48/20/96/454482096.db2.gz WCJSLKUHIRGADG-CQSZACIVSA-N 1 2 331.397 3.432 20 5 EGBDLO C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000134067432 454499098 /nfs/dbraw/zinc/49/90/98/454499098.db2.gz OQYURGFSMFKXOI-DYVFJYSZSA-N 1 2 337.383 3.427 20 5 EGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000122479532 454537512 /nfs/dbraw/zinc/53/75/12/454537512.db2.gz XQYQZNWEGAFSGG-UHFFFAOYSA-N 1 2 340.314 3.387 20 5 EGBDLO CN(c1ccccc1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092643240 454597945 /nfs/dbraw/zinc/59/79/45/454597945.db2.gz HRSGLTGHGVMAPO-UHFFFAOYSA-N 1 2 341.411 3.401 20 5 EGBDLO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000123132897 454605189 /nfs/dbraw/zinc/60/51/89/454605189.db2.gz FOOMRWMQVMZFPI-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO Cc1ocnc1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092689767 454612113 /nfs/dbraw/zinc/61/21/13/454612113.db2.gz TVLGRBCMWJPTKR-UHFFFAOYSA-N 1 2 325.328 3.269 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074726165 454625067 /nfs/dbraw/zinc/62/50/67/454625067.db2.gz FWMLCXWMAYHUQR-UHFFFAOYSA-N 1 2 325.372 3.459 20 5 EGBDLO O=[N+]([O-])c1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000052385387 454670068 /nfs/dbraw/zinc/67/00/68/454670068.db2.gz WAQUALWZMBIKRA-UHFFFAOYSA-N 1 2 346.350 3.336 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127068040 454935877 /nfs/dbraw/zinc/93/58/77/454935877.db2.gz XPYDEWODYZBJFE-CZUORRHYSA-N 1 2 343.387 3.215 20 5 EGBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127800250 454998929 /nfs/dbraw/zinc/99/89/29/454998929.db2.gz WWYLRVRQMPPLFY-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127800250 454998931 /nfs/dbraw/zinc/99/89/31/454998931.db2.gz WWYLRVRQMPPLFY-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO CSc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000263949360 455170971 /nfs/dbraw/zinc/17/09/71/455170971.db2.gz OJGFGFNIRRKWEF-LBPRGKRZSA-N 1 2 346.412 3.060 20 5 EGBDLO Cc1nn(C)c(NCc2cc[nH+]c(N3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000264374079 455200537 /nfs/dbraw/zinc/20/05/37/455200537.db2.gz DDJUBVBLFIHHBS-UHFFFAOYSA-N 1 2 344.419 3.024 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@@](=O)C1 ZINC000277561277 455598611 /nfs/dbraw/zinc/59/86/11/455598611.db2.gz RVIIHIURKDNVHV-YEBMWUKDSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@@](=O)C1 ZINC000277561277 455598614 /nfs/dbraw/zinc/59/86/14/455598614.db2.gz RVIIHIURKDNVHV-YEBMWUKDSA-N 1 2 348.424 3.055 20 5 EGBDLO CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271340734 455603678 /nfs/dbraw/zinc/60/36/78/455603678.db2.gz BYNWEYOFSHRAKP-TZMCWYRMSA-N 1 2 328.372 3.184 20 5 EGBDLO C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247593201 455629115 /nfs/dbraw/zinc/62/91/15/455629115.db2.gz MQJDCHVDVCYSCC-SUMWQHHRSA-N 1 2 337.383 3.427 20 5 EGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000284155126 455643089 /nfs/dbraw/zinc/64/30/89/455643089.db2.gz PSEAMUMLKYMDPZ-AWEZNQCLSA-N 1 2 349.343 3.136 20 5 EGBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000292416777 455655840 /nfs/dbraw/zinc/65/58/40/455655840.db2.gz UZUUSSSFDBFBHW-ZIAGYGMSSA-N 1 2 333.432 3.062 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000252138610 455802834 /nfs/dbraw/zinc/80/28/34/455802834.db2.gz LWFRKNJSRJNHOM-WDEREUQCSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000252138610 455802837 /nfs/dbraw/zinc/80/28/37/455802837.db2.gz LWFRKNJSRJNHOM-WDEREUQCSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286121844 455982995 /nfs/dbraw/zinc/98/29/95/455982995.db2.gz MGRDAPRRNZHHKG-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286121844 455982987 /nfs/dbraw/zinc/98/29/87/455982987.db2.gz MGRDAPRRNZHHKG-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000296605417 455987090 /nfs/dbraw/zinc/98/70/90/455987090.db2.gz VWQXIUSUJFHCIY-NSHDSACASA-N 1 2 333.392 3.086 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)co2)cc1 ZINC000270610730 455996157 /nfs/dbraw/zinc/99/61/57/455996157.db2.gz NHGQXWBFABHPRY-CVEARBPZSA-N 1 2 329.356 3.003 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@H]4CCC[C@H]43)co2)cc1 ZINC000270610730 455996162 /nfs/dbraw/zinc/99/61/62/455996162.db2.gz NHGQXWBFABHPRY-CVEARBPZSA-N 1 2 329.356 3.003 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000347731170 456335825 /nfs/dbraw/zinc/33/58/25/456335825.db2.gz ZWBQTRUSHQMVHU-QGZVFWFLSA-N 1 2 340.358 3.347 20 5 EGBDLO CC[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000347962473 456432047 /nfs/dbraw/zinc/43/20/47/456432047.db2.gz NYBMTYIQPIWPCJ-GXFFZTMASA-N 1 2 334.401 3.066 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c(OC)c1 ZINC000276335963 456447957 /nfs/dbraw/zinc/44/79/57/456447957.db2.gz SFKUNSYLQSZXNT-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c(OC)c1 ZINC000276335963 456447962 /nfs/dbraw/zinc/44/79/62/456447962.db2.gz SFKUNSYLQSZXNT-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO Cc1cc(NC[C@@H](O)c2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301093373 456795566 /nfs/dbraw/zinc/79/55/66/456795566.db2.gz IDAFPNVUOUESPS-CQSZACIVSA-N 1 2 340.339 3.099 20 5 EGBDLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353669293 456844269 /nfs/dbraw/zinc/84/42/69/456844269.db2.gz IGVMGKSELSKZTD-ZWNOBZJWSA-N 1 2 342.321 3.206 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000353914826 456964199 /nfs/dbraw/zinc/96/41/99/456964199.db2.gz SNJRBUFTAZXZCM-OAHLLOKOSA-N 1 2 343.387 3.164 20 5 EGBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000345212496 456968967 /nfs/dbraw/zinc/96/89/67/456968967.db2.gz UPTGAQSXQGNMKS-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[N@H+](C)Cc1ccccc1 ZINC000339351938 457063005 /nfs/dbraw/zinc/06/30/05/457063005.db2.gz FQVXTZCMLMBQLV-MRXNPFEDSA-N 1 2 343.383 3.150 20 5 EGBDLO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[N@@H+](C)Cc1ccccc1 ZINC000339351938 457063007 /nfs/dbraw/zinc/06/30/07/457063007.db2.gz FQVXTZCMLMBQLV-MRXNPFEDSA-N 1 2 343.383 3.150 20 5 EGBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000331129391 457136257 /nfs/dbraw/zinc/13/62/57/457136257.db2.gz IVBNPANOOOMELJ-LBPRGKRZSA-N 1 2 331.372 3.249 20 5 EGBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000331129391 457136264 /nfs/dbraw/zinc/13/62/64/457136264.db2.gz IVBNPANOOOMELJ-LBPRGKRZSA-N 1 2 331.372 3.249 20 5 EGBDLO Cc1cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc([N+](=O)[O-])c1 ZINC000360009394 457200383 /nfs/dbraw/zinc/20/03/83/457200383.db2.gz DTXCIOARTLADPM-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO Cc1cc(N[C@@H](C)c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339681723 457210956 /nfs/dbraw/zinc/21/09/56/457210956.db2.gz YBLPLPGMEMPKCS-ZDUSSCGKSA-N 1 2 335.367 3.350 20 5 EGBDLO C[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000332377023 457358203 /nfs/dbraw/zinc/35/82/03/457358203.db2.gz ACGOUSOQPANPKM-XHDPSFHLSA-N 1 2 347.350 3.045 20 5 EGBDLO COc1cc(C[N@@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000347391930 457398361 /nfs/dbraw/zinc/39/83/61/457398361.db2.gz OZYZIQZSCDZZSH-CQSZACIVSA-N 1 2 334.294 3.139 20 5 EGBDLO COc1cc(C[N@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000347391930 457398366 /nfs/dbraw/zinc/39/83/66/457398366.db2.gz OZYZIQZSCDZZSH-CQSZACIVSA-N 1 2 334.294 3.139 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccoc1 ZINC000342634095 457418922 /nfs/dbraw/zinc/41/89/22/457418922.db2.gz OFQAYERYEUMYAZ-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccoc1 ZINC000342634095 457418929 /nfs/dbraw/zinc/41/89/29/457418929.db2.gz OFQAYERYEUMYAZ-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO CCOC(=O)c1cc(NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000357433272 457521853 /nfs/dbraw/zinc/52/18/53/457521853.db2.gz DDSXZVTYQOTXBZ-UHFFFAOYSA-N 1 2 340.339 3.031 20 5 EGBDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425421265 457546411 /nfs/dbraw/zinc/54/64/11/457546411.db2.gz NOBVVUGJMWOTPH-GWCFXTLKSA-N 1 2 343.221 3.093 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000361400397 457719231 /nfs/dbraw/zinc/71/92/31/457719231.db2.gz OKUYBLKYPKJXQK-QGZVFWFLSA-N 1 2 326.352 3.408 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000361400397 457719234 /nfs/dbraw/zinc/71/92/34/457719234.db2.gz OKUYBLKYPKJXQK-QGZVFWFLSA-N 1 2 326.352 3.408 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000361839290 457898346 /nfs/dbraw/zinc/89/83/46/457898346.db2.gz HSNLVEZFTCJMOK-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000361839290 457898351 /nfs/dbraw/zinc/89/83/51/457898351.db2.gz HSNLVEZFTCJMOK-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO CC[N@H+](Cc1occc1C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412026287 458051212 /nfs/dbraw/zinc/05/12/12/458051212.db2.gz LDEOQEJOQJBEOJ-CYBMUJFWSA-N 1 2 331.372 3.345 20 5 EGBDLO CC[N@@H+](Cc1occc1C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412026287 458051215 /nfs/dbraw/zinc/05/12/15/458051215.db2.gz LDEOQEJOQJBEOJ-CYBMUJFWSA-N 1 2 331.372 3.345 20 5 EGBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000375931009 458129803 /nfs/dbraw/zinc/12/98/03/458129803.db2.gz JSYQKMDONYCLNR-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000375931009 458129810 /nfs/dbraw/zinc/12/98/10/458129810.db2.gz JSYQKMDONYCLNR-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO COCC[N@@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000429206107 458291732 /nfs/dbraw/zinc/29/17/32/458291732.db2.gz FDKWGSRHGCGSHM-JTQLQIEISA-N 1 2 348.230 3.059 20 5 EGBDLO COCC[N@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000429206107 458291737 /nfs/dbraw/zinc/29/17/37/458291737.db2.gz FDKWGSRHGCGSHM-JTQLQIEISA-N 1 2 348.230 3.059 20 5 EGBDLO Cc1cccc2c1C[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000429564753 458346428 /nfs/dbraw/zinc/34/64/28/458346428.db2.gz QGZZQWIYVVELAF-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cccc2c1C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000429564753 458346434 /nfs/dbraw/zinc/34/64/34/458346434.db2.gz QGZZQWIYVVELAF-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430214093 458423141 /nfs/dbraw/zinc/42/31/41/458423141.db2.gz WTDMAAOQDJOYGL-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430214093 458423148 /nfs/dbraw/zinc/42/31/48/458423148.db2.gz WTDMAAOQDJOYGL-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459733957 458461822 /nfs/dbraw/zinc/46/18/22/458461822.db2.gz KHAVDDQFARWAEQ-UHFFFAOYSA-N 1 2 343.358 3.387 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459733957 458461824 /nfs/dbraw/zinc/46/18/24/458461824.db2.gz KHAVDDQFARWAEQ-UHFFFAOYSA-N 1 2 343.358 3.387 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437829500 458498262 /nfs/dbraw/zinc/49/82/62/458498262.db2.gz PWTHZUBNRNVCJD-MRXNPFEDSA-N 1 2 339.395 3.159 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437829500 458498265 /nfs/dbraw/zinc/49/82/65/458498265.db2.gz PWTHZUBNRNVCJD-MRXNPFEDSA-N 1 2 339.395 3.159 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1 ZINC000531178188 458884325 /nfs/dbraw/zinc/88/43/25/458884325.db2.gz DNESWZAGHIPZSB-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000466923541 458934554 /nfs/dbraw/zinc/93/45/54/458934554.db2.gz CQBRMZCZRSSICF-MRXNPFEDSA-N 1 2 339.395 3.370 20 5 EGBDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000466923541 458934559 /nfs/dbraw/zinc/93/45/59/458934559.db2.gz CQBRMZCZRSSICF-MRXNPFEDSA-N 1 2 339.395 3.370 20 5 EGBDLO O=[N+]([O-])c1cc(I)cc(C[NH+]2CCCCC2)c1 ZINC000577248806 459004247 /nfs/dbraw/zinc/00/42/47/459004247.db2.gz NQHPVGKHDIQKHM-UHFFFAOYSA-N 1 2 346.168 3.185 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590379351 459122118 /nfs/dbraw/zinc/12/21/18/459122118.db2.gz QJIRMMIKLRDTJZ-UHFFFAOYSA-N 1 2 346.412 3.017 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590379351 459122120 /nfs/dbraw/zinc/12/21/20/459122120.db2.gz QJIRMMIKLRDTJZ-UHFFFAOYSA-N 1 2 346.412 3.017 20 5 EGBDLO Cc1noc(C[N@H+](C)CCCOc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595292921 459269032 /nfs/dbraw/zinc/26/90/32/459269032.db2.gz FTHLLIBWYXQSJH-UHFFFAOYSA-N 1 2 339.779 3.446 20 5 EGBDLO Cc1noc(C[N@@H+](C)CCCOc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595292921 459269033 /nfs/dbraw/zinc/26/90/33/459269033.db2.gz FTHLLIBWYXQSJH-UHFFFAOYSA-N 1 2 339.779 3.446 20 5 EGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590971929 459286172 /nfs/dbraw/zinc/28/61/72/459286172.db2.gz XGYKOKIKGKDUCQ-YGRLFVJLSA-N 1 2 330.306 3.224 20 5 EGBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590971929 459286179 /nfs/dbraw/zinc/28/61/79/459286179.db2.gz XGYKOKIKGKDUCQ-YGRLFVJLSA-N 1 2 330.306 3.224 20 5 EGBDLO C[C@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000595415801 459293729 /nfs/dbraw/zinc/29/37/29/459293729.db2.gz SVCCSFGLJWBQOC-ZETCQYMHSA-N 1 2 332.307 3.316 20 5 EGBDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000595519314 459332345 /nfs/dbraw/zinc/33/23/45/459332345.db2.gz XCPNTOYQCSEGBH-JTQLQIEISA-N 1 2 348.794 3.014 20 5 EGBDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000595519314 459332348 /nfs/dbraw/zinc/33/23/48/459332348.db2.gz XCPNTOYQCSEGBH-JTQLQIEISA-N 1 2 348.794 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000541699602 459481353 /nfs/dbraw/zinc/48/13/53/459481353.db2.gz IMTDHQJFJROHBL-IBGZPJMESA-N 1 2 326.396 3.428 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000541699602 459481357 /nfs/dbraw/zinc/48/13/57/459481357.db2.gz IMTDHQJFJROHBL-IBGZPJMESA-N 1 2 326.396 3.428 20 5 EGBDLO CC(C)c1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000526131930 459554660 /nfs/dbraw/zinc/55/46/60/459554660.db2.gz HDQNIXJQVCXTMA-UHFFFAOYSA-N 1 2 330.388 3.125 20 5 EGBDLO C[S@](=O)[C@@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596367883 459610712 /nfs/dbraw/zinc/61/07/12/459610712.db2.gz VQGCYSYKDFSKQF-ZSDPLGQISA-N 1 2 333.413 3.245 20 5 EGBDLO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000499259379 459630803 /nfs/dbraw/zinc/63/08/03/459630803.db2.gz AKKTVEJQMCHCLS-UHFFFAOYSA-N 1 2 338.404 3.026 20 5 EGBDLO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000499259379 459630808 /nfs/dbraw/zinc/63/08/08/459630808.db2.gz AKKTVEJQMCHCLS-UHFFFAOYSA-N 1 2 338.404 3.026 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000500772341 459694941 /nfs/dbraw/zinc/69/49/41/459694941.db2.gz MUNFPIKSKAMRCP-UHFFFAOYSA-N 1 2 340.379 3.248 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000500772341 459694948 /nfs/dbraw/zinc/69/49/48/459694948.db2.gz MUNFPIKSKAMRCP-UHFFFAOYSA-N 1 2 340.379 3.248 20 5 EGBDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000501075932 459710169 /nfs/dbraw/zinc/71/01/69/459710169.db2.gz FTMTUJBSRBMPFF-QAPCUYQASA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000501075932 459710171 /nfs/dbraw/zinc/71/01/71/459710171.db2.gz FTMTUJBSRBMPFF-QAPCUYQASA-N 1 2 342.395 3.436 20 5 EGBDLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000573892613 459751391 /nfs/dbraw/zinc/75/13/91/459751391.db2.gz PILIELVDHKJMCZ-JTQLQIEISA-N 1 2 335.385 3.079 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](CC)CO1 ZINC000593057650 459757631 /nfs/dbraw/zinc/75/76/31/459757631.db2.gz GTVZPUXNZMOXAJ-UKRRQHHQSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](CC)CO1 ZINC000593057650 459757634 /nfs/dbraw/zinc/75/76/34/459757634.db2.gz GTVZPUXNZMOXAJ-UKRRQHHQSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593057624 459758198 /nfs/dbraw/zinc/75/81/98/459758198.db2.gz UZVUBBRGJAAZMH-CYBMUJFWSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593057624 459758202 /nfs/dbraw/zinc/75/82/02/459758202.db2.gz UZVUBBRGJAAZMH-CYBMUJFWSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593057726 459759415 /nfs/dbraw/zinc/75/94/15/459759415.db2.gz HGBMILMOMTZYSB-ZDUSSCGKSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593057726 459759418 /nfs/dbraw/zinc/75/94/18/459759418.db2.gz HGBMILMOMTZYSB-ZDUSSCGKSA-N 1 2 346.387 3.034 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544616960 459773306 /nfs/dbraw/zinc/77/33/06/459773306.db2.gz HUASXCPATOCVLI-SFHVURJKSA-N 1 2 326.396 3.428 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000544616960 459773310 /nfs/dbraw/zinc/77/33/10/459773310.db2.gz HUASXCPATOCVLI-SFHVURJKSA-N 1 2 326.396 3.428 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCC[N@@H+]1CCCOCC1 ZINC000574473318 459822337 /nfs/dbraw/zinc/82/23/37/459822337.db2.gz HJFPWTUIKVEXAV-UHFFFAOYSA-N 1 2 334.203 3.036 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCC[N@H+]1CCCOCC1 ZINC000574473318 459822340 /nfs/dbraw/zinc/82/23/40/459822340.db2.gz HJFPWTUIKVEXAV-UHFFFAOYSA-N 1 2 334.203 3.036 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(CCc3[nH]c4ccccc4[nH+]3)n2)cc1 ZINC000545550755 459838154 /nfs/dbraw/zinc/83/81/54/459838154.db2.gz ATLYVXSCOCVORG-UHFFFAOYSA-N 1 2 335.323 3.306 20 5 EGBDLO CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598299791 459853712 /nfs/dbraw/zinc/85/37/12/459853712.db2.gz SLFIYZSXPLUEQJ-ZIAGYGMSSA-N 1 2 342.399 3.431 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])cc1F ZINC000545930684 459874913 /nfs/dbraw/zinc/87/49/13/459874913.db2.gz XWABJXRHGVTJLN-OAHLLOKOSA-N 1 2 331.347 3.475 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])cc1F ZINC000545930684 459874915 /nfs/dbraw/zinc/87/49/15/459874915.db2.gz XWABJXRHGVTJLN-OAHLLOKOSA-N 1 2 331.347 3.475 20 5 EGBDLO CC(C)CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000598403666 459892135 /nfs/dbraw/zinc/89/21/35/459892135.db2.gz ISHAUJAJVSNACG-UHFFFAOYSA-N 1 2 328.372 3.089 20 5 EGBDLO CCC[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000599062571 460147924 /nfs/dbraw/zinc/14/79/24/460147924.db2.gz ZTBXMBDTCJWIAM-IAGOWNOFSA-N 1 2 346.431 3.213 20 5 EGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000602829325 460149542 /nfs/dbraw/zinc/14/95/42/460149542.db2.gz QGCMVWFCOQAHST-UHFFFAOYSA-N 1 2 336.342 3.043 20 5 EGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000602829325 460149550 /nfs/dbraw/zinc/14/95/50/460149550.db2.gz QGCMVWFCOQAHST-UHFFFAOYSA-N 1 2 336.342 3.043 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CC(F)F)c2ncccc12 ZINC000599132592 460170211 /nfs/dbraw/zinc/17/02/11/460170211.db2.gz FFORCKCEWAQWMA-LLVKDONJSA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CC(F)F)c2ncccc12 ZINC000599132592 460170213 /nfs/dbraw/zinc/17/02/13/460170213.db2.gz FFORCKCEWAQWMA-LLVKDONJSA-N 1 2 336.342 3.284 20 5 EGBDLO CSC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000602919779 460185178 /nfs/dbraw/zinc/18/51/78/460185178.db2.gz IRKLZMNFBDYSAG-UHFFFAOYSA-N 1 2 343.836 3.014 20 5 EGBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000614925096 460247354 /nfs/dbraw/zinc/24/73/54/460247354.db2.gz UTLMGNSYVSEVDI-CYBMUJFWSA-N 1 2 336.285 3.277 20 5 EGBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000614925096 460247358 /nfs/dbraw/zinc/24/73/58/460247358.db2.gz UTLMGNSYVSEVDI-CYBMUJFWSA-N 1 2 336.285 3.277 20 5 EGBDLO CC(C)C(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000610911890 460259564 /nfs/dbraw/zinc/25/95/64/460259564.db2.gz BGQSABQTNCIAPM-UHFFFAOYSA-N 1 2 330.388 3.191 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511888 460264676 /nfs/dbraw/zinc/26/46/76/460264676.db2.gz CTYIAKMYBDZZIR-GRYCIOLGSA-N 1 2 341.358 3.145 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511888 460264681 /nfs/dbraw/zinc/26/46/81/460264681.db2.gz CTYIAKMYBDZZIR-GRYCIOLGSA-N 1 2 341.358 3.145 20 5 EGBDLO CC(C)(Nc1ccc(Br)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000603407224 460299658 /nfs/dbraw/zinc/29/96/58/460299658.db2.gz QYYAPVGAOMYACH-UHFFFAOYSA-N 1 2 325.166 3.428 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)s1 ZINC000611493791 460376453 /nfs/dbraw/zinc/37/64/53/460376453.db2.gz IAJGNUFFBIYPEB-UHFFFAOYSA-N 1 2 326.381 3.405 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1nnc2ccccn21 ZINC000611516322 460384830 /nfs/dbraw/zinc/38/48/30/460384830.db2.gz AEBJRLVWSUPFQQ-ZDUSSCGKSA-N 1 2 325.372 3.139 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1nnc2ccccn21 ZINC000611516322 460384834 /nfs/dbraw/zinc/38/48/34/460384834.db2.gz AEBJRLVWSUPFQQ-ZDUSSCGKSA-N 1 2 325.372 3.139 20 5 EGBDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000604532755 460442304 /nfs/dbraw/zinc/44/23/04/460442304.db2.gz CBJONZVCUORQDE-SMDDNHRTSA-N 1 2 344.367 3.372 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601239644 460761877 /nfs/dbraw/zinc/76/18/77/460761877.db2.gz AGTPJSUOKROZDW-UHFFFAOYSA-N 1 2 344.440 3.464 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccn2)C2CC2)c2c(c1)COCO2 ZINC000181341720 534880129 /nfs/dbraw/zinc/88/01/29/534880129.db2.gz QUDQZHQBUZCDOD-UHFFFAOYSA-N 1 2 341.367 3.021 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccn2)C2CC2)c2c(c1)COCO2 ZINC000181341720 534880130 /nfs/dbraw/zinc/88/01/30/534880130.db2.gz QUDQZHQBUZCDOD-UHFFFAOYSA-N 1 2 341.367 3.021 20 5 EGBDLO COc1ccc(F)c(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000361732431 536601439 /nfs/dbraw/zinc/60/14/39/536601439.db2.gz KFRQAKFBISWAHJ-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO Cc1cccn2cc(CC(=O)Oc3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000726753841 574569453 /nfs/dbraw/zinc/56/94/53/574569453.db2.gz HXJZSGPXTUDLQD-UHFFFAOYSA-N 1 2 325.324 3.007 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733199558 575319556 /nfs/dbraw/zinc/31/95/56/575319556.db2.gz HKZZEMDIEJBKOU-OKILXGFUSA-N 1 2 349.431 3.425 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733199558 575319557 /nfs/dbraw/zinc/31/95/57/575319557.db2.gz HKZZEMDIEJBKOU-OKILXGFUSA-N 1 2 349.431 3.425 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000733740128 575387388 /nfs/dbraw/zinc/38/73/88/575387388.db2.gz OVHQPHYCRITTEU-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2[nH+]ccn2c1 ZINC000735800605 575717183 /nfs/dbraw/zinc/71/71/83/575717183.db2.gz MKHYQNGLDMRKIN-UHFFFAOYSA-N 1 2 331.715 3.253 20 5 EGBDLO CCOC(=O)c1ccnc(Nc2ccc([NH+](C)C)cc2C)c1[N+](=O)[O-] ZINC000737397984 576221145 /nfs/dbraw/zinc/22/11/45/576221145.db2.gz IEBSOPAIEQEYPQ-UHFFFAOYSA-N 1 2 344.371 3.285 20 5 EGBDLO CCc1cc(NCCOC2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000742423896 576782812 /nfs/dbraw/zinc/78/28/12/576782812.db2.gz MDEPUQJNDAGMBK-UHFFFAOYSA-N 1 2 342.399 3.017 20 5 EGBDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccsc1 ZINC000007926980 1291094447 /nfs/dbraw/zinc/09/44/47/1291094447.db2.gz UUJJYIDAQIAAOJ-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccsc1 ZINC000007926980 1291094453 /nfs/dbraw/zinc/09/44/53/1291094453.db2.gz UUJJYIDAQIAAOJ-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO CCCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032160874 1291376328 /nfs/dbraw/zinc/37/63/28/1291376328.db2.gz CSLZIMGSHHFYKS-ZDUSSCGKSA-N 1 2 330.388 3.479 20 5 EGBDLO Cc1csc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000835458063 1293295327 /nfs/dbraw/zinc/29/53/27/1293295327.db2.gz NXLDTCYXZBEDDJ-HNNXBMFYSA-N 1 2 346.408 3.396 20 5 EGBDLO Cc1csc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000835458063 1293295331 /nfs/dbraw/zinc/29/53/31/1293295331.db2.gz NXLDTCYXZBEDDJ-HNNXBMFYSA-N 1 2 346.408 3.396 20 5 EGBDLO COC(=O)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000154610644 1294063382 /nfs/dbraw/zinc/06/33/82/1294063382.db2.gz JTAXSRCRTGVEFT-UHFFFAOYSA-N 1 2 326.780 3.166 20 5 EGBDLO COC(=O)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000154610644 1294063390 /nfs/dbraw/zinc/06/33/90/1294063390.db2.gz JTAXSRCRTGVEFT-UHFFFAOYSA-N 1 2 326.780 3.166 20 5 EGBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000174812130 1294525553 /nfs/dbraw/zinc/52/55/53/1294525553.db2.gz BRYGGCDCQSCFCS-UHFFFAOYSA-N 1 2 347.802 3.240 20 5 EGBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000174812130 1294525562 /nfs/dbraw/zinc/52/55/62/1294525562.db2.gz BRYGGCDCQSCFCS-UHFFFAOYSA-N 1 2 347.802 3.240 20 5 EGBDLO Cc1c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000748494599 1299023747 /nfs/dbraw/zinc/02/37/47/1299023747.db2.gz JSYBZLLQWYSJJU-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO O=C(C[NH+]1CCC(C(F)F)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000767082636 1302580283 /nfs/dbraw/zinc/58/02/83/1302580283.db2.gz RPZXOGAFLGIJKJ-UHFFFAOYSA-N 1 2 347.749 3.164 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000888589314 1304210384 /nfs/dbraw/zinc/21/03/84/1304210384.db2.gz HTMAUCHVNOXYFT-UHFFFAOYSA-N 1 2 343.383 3.162 20 5 EGBDLO COCCOc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000891624190 1305115068 /nfs/dbraw/zinc/11/50/68/1305115068.db2.gz VJUSQQYQZBWWOK-UHFFFAOYSA-N 1 2 346.383 3.378 20 5 EGBDLO COCCOc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000891624190 1305115071 /nfs/dbraw/zinc/11/50/71/1305115071.db2.gz VJUSQQYQZBWWOK-UHFFFAOYSA-N 1 2 346.383 3.378 20 5 EGBDLO O=C(OCCCn1cc[nH+]c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000784837059 1305285490 /nfs/dbraw/zinc/28/54/90/1305285490.db2.gz GVRHJNCQDJXLJC-UHFFFAOYSA-N 1 2 347.374 3.125 20 5 EGBDLO COc1c(O)ccc(C[NH2+]C2(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000893001057 1305648058 /nfs/dbraw/zinc/64/80/58/1305648058.db2.gz ZCPSPYJVDIVXLA-UHFFFAOYSA-N 1 2 332.331 3.227 20 5 EGBDLO CCC1(CC)CN(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C(=O)O1 ZINC000795645960 1309797745 /nfs/dbraw/zinc/79/77/45/1309797745.db2.gz SSIRYBUEXVQYHC-UHFFFAOYSA-N 1 2 335.404 3.038 20 5 EGBDLO CCC1(CC)CN(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C(=O)O1 ZINC000795645960 1309797753 /nfs/dbraw/zinc/79/77/53/1309797753.db2.gz SSIRYBUEXVQYHC-UHFFFAOYSA-N 1 2 335.404 3.038 20 5 EGBDLO CCn1c[nH+]c2c1CCN(c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)C2 ZINC000896653246 1309958131 /nfs/dbraw/zinc/95/81/31/1309958131.db2.gz CXOCISQFKUPZRL-UHFFFAOYSA-N 1 2 340.305 3.393 20 5 EGBDLO C[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc21 ZINC000913058969 1318965351 /nfs/dbraw/zinc/96/53/51/1318965351.db2.gz WOCDKPGHWDARAQ-LBPRGKRZSA-N 1 2 339.351 3.080 20 5 EGBDLO C[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc21 ZINC000913058969 1318965364 /nfs/dbraw/zinc/96/53/64/1318965364.db2.gz WOCDKPGHWDARAQ-LBPRGKRZSA-N 1 2 339.351 3.080 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc([N+](=O)[O-])ccc1F ZINC000920004383 1322127287 /nfs/dbraw/zinc/12/72/87/1322127287.db2.gz GUOANXPNPISCFH-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861347178 1329411025 /nfs/dbraw/zinc/41/10/25/1329411025.db2.gz GYBNLSYLRDIJGE-NSHDSACASA-N 1 2 348.790 3.002 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001094291124 1361764922 /nfs/dbraw/zinc/76/49/22/1361764922.db2.gz BZHSCPZVWVUEFH-UHFFFAOYSA-N 1 2 342.399 3.065 20 5 EGBDLO CNc1ccc(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)c[nH+]1 ZINC001324251154 1387568814 /nfs/dbraw/zinc/56/88/14/1387568814.db2.gz OSDUOWHUYJFMAY-UHFFFAOYSA-N 1 2 330.735 3.372 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225624446 1375134352 /nfs/dbraw/zinc/13/43/52/1375134352.db2.gz CCXALKPGAMLJQG-GUYCJALGSA-N 1 2 328.368 3.200 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225624446 1375134354 /nfs/dbraw/zinc/13/43/54/1375134354.db2.gz CCXALKPGAMLJQG-GUYCJALGSA-N 1 2 328.368 3.200 20 5 EGBDLO CC/C(C)=C\C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001227211050 1375407375 /nfs/dbraw/zinc/40/73/75/1375407375.db2.gz IUSFEEIBFTZOQQ-WQLSENKSSA-N 1 2 337.445 3.093 20 5 EGBDLO Cc1cccn2c([C@H](C)Nc3nc(Cl)nc(C)c3[N+](=O)[O-])c[nH+]c12 ZINC001160683662 1382170060 /nfs/dbraw/zinc/17/00/60/1382170060.db2.gz RMAGOFSIUIRWLI-VIFPVBQESA-N 1 2 346.778 3.476 20 5 EGBDLO CC1(C)C[N@@H+](C2CN(c3ccc4ccc5cccnc5c4n3)C2)CCO1 ZINC001165127387 1383233522 /nfs/dbraw/zinc/23/35/22/1383233522.db2.gz GLCBVEMNIZVOTE-UHFFFAOYSA-N 1 2 348.450 3.082 20 5 EGBDLO CC1(C)C[N@H+](C2CN(c3ccc4ccc5cccnc5c4n3)C2)CCO1 ZINC001165127387 1383233525 /nfs/dbraw/zinc/23/35/25/1383233525.db2.gz GLCBVEMNIZVOTE-UHFFFAOYSA-N 1 2 348.450 3.082 20 5 EGBDLO CCCCCOC(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904960 1384875449 /nfs/dbraw/zinc/87/54/49/1384875449.db2.gz GXMOKCVZXMXTPE-MRXNPFEDSA-N 1 2 334.416 3.165 20 5 EGBDLO COC(=O)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001173210051 1384936041 /nfs/dbraw/zinc/93/60/41/1384936041.db2.gz HBXJVHLEBPHHMD-SUMWQHHRSA-N 1 2 334.416 3.237 20 5 EGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001173232456 1384941617 /nfs/dbraw/zinc/94/16/17/1384941617.db2.gz GSSVJRNVMGYURL-CYBMUJFWSA-N 1 2 349.431 3.125 20 5 EGBDLO Cc1nc(Nc2ccc([NH+]3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000133148308 223391823 /nfs/dbraw/zinc/39/18/23/223391823.db2.gz QLGITUWVWIDYGU-UHFFFAOYSA-N 1 2 328.372 3.003 20 5 EGBDLO Cc1ccnc(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000265199360 247291970 /nfs/dbraw/zinc/29/19/70/247291970.db2.gz MKSIFMCGAYZVIC-CHWSQXEVSA-N 1 2 343.387 3.050 20 5 EGBDLO COc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1[N+](=O)[O-] ZINC000267625322 251203009 /nfs/dbraw/zinc/20/30/09/251203009.db2.gz MHAORADBGHLRAS-SNVBAGLBSA-N 1 2 337.401 3.057 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000119566898 285153231 /nfs/dbraw/zinc/15/32/31/285153231.db2.gz XRLWTQGQHAEOGP-UHFFFAOYSA-N 1 2 338.713 3.137 20 5 EGBDLO Cn1cc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000184599558 144095760 /nfs/dbraw/zinc/09/57/60/144095760.db2.gz GNEXYKGJSVQBFO-SFHVURJKSA-N 1 2 340.358 3.347 20 5 EGBDLO COCCn1c2ccccc2[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000185848289 144120677 /nfs/dbraw/zinc/12/06/77/144120677.db2.gz PNADVGDMPBJWCR-UHFFFAOYSA-N 1 2 326.356 3.203 20 5 EGBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000344706575 144212598 /nfs/dbraw/zinc/21/25/98/144212598.db2.gz OSEWPFWTEKIXCT-INIZCTEOSA-N 1 2 344.367 3.382 20 5 EGBDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000344706575 144212599 /nfs/dbraw/zinc/21/25/99/144212599.db2.gz OSEWPFWTEKIXCT-INIZCTEOSA-N 1 2 344.367 3.382 20 5 EGBDLO COc1cc(NCc2cn3cc(C)ccc3[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000351396712 144263737 /nfs/dbraw/zinc/26/37/37/144263737.db2.gz LPZMUHGXBKPVIQ-UHFFFAOYSA-N 1 2 330.319 3.311 20 5 EGBDLO O=C(c1ccccc1)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000121878631 152376071 /nfs/dbraw/zinc/37/60/71/152376071.db2.gz UXHCMQQDGUWBDR-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO O=C(c1ccccc1)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000121878631 152376073 /nfs/dbraw/zinc/37/60/73/152376073.db2.gz UXHCMQQDGUWBDR-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO Cc1ccc(NCCCNC(=O)Nc2cc[nH+]cc2C)c([N+](=O)[O-])c1 ZINC000122055670 152386350 /nfs/dbraw/zinc/38/63/50/152386350.db2.gz QXFVKQWNVOZBKU-UHFFFAOYSA-N 1 2 343.387 3.230 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1[N+](=O)[O-] ZINC000372803438 157387543 /nfs/dbraw/zinc/38/75/43/157387543.db2.gz CPYOIGHDGMXNKQ-AWEZNQCLSA-N 1 2 330.388 3.096 20 5 EGBDLO CCOc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1[N+](=O)[O-] ZINC000372803438 157387545 /nfs/dbraw/zinc/38/75/45/157387545.db2.gz CPYOIGHDGMXNKQ-AWEZNQCLSA-N 1 2 330.388 3.096 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344165826 164118137 /nfs/dbraw/zinc/11/81/37/164118137.db2.gz BRMNPKCRFAMYHU-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO CCc1ccc([C@H]([NH2+]C[C@H](O)C(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346569262 164399494 /nfs/dbraw/zinc/39/94/94/164399494.db2.gz XMWSTGUFQRLGDY-DZGCQCFKSA-N 1 2 340.326 3.055 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352179402 165272169 /nfs/dbraw/zinc/27/21/69/165272169.db2.gz XPLGMPHDBRJCDI-UHFFFAOYSA-N 1 2 342.330 3.421 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000355317815 166162121 /nfs/dbraw/zinc/16/21/21/166162121.db2.gz LKZDRSSXKGVJCB-UHFFFAOYSA-N 1 2 348.428 3.103 20 5 EGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1Oc1cc[nH+]cc1 ZINC000355499069 166222894 /nfs/dbraw/zinc/22/28/94/166222894.db2.gz ZYVFGRUUHHORFE-UHFFFAOYSA-N 1 2 339.311 3.066 20 5 EGBDLO C[N@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)Cc1ccccc1 ZINC000355664908 166277610 /nfs/dbraw/zinc/27/76/10/166277610.db2.gz GCBOIPSEQSYBKK-UHFFFAOYSA-N 1 2 338.367 3.201 20 5 EGBDLO C[N@@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)Cc1ccccc1 ZINC000355664908 166277612 /nfs/dbraw/zinc/27/76/12/166277612.db2.gz GCBOIPSEQSYBKK-UHFFFAOYSA-N 1 2 338.367 3.201 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000355971614 166363313 /nfs/dbraw/zinc/36/33/13/166363313.db2.gz CYZLUJAGOGFRKL-UHFFFAOYSA-N 1 2 331.397 3.475 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000367848788 168277893 /nfs/dbraw/zinc/27/78/93/168277893.db2.gz MVEKKNYSVSHIMQ-JKSUJKDBSA-N 1 2 344.415 3.006 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000367848788 168277896 /nfs/dbraw/zinc/27/78/96/168277896.db2.gz MVEKKNYSVSHIMQ-JKSUJKDBSA-N 1 2 344.415 3.006 20 5 EGBDLO COCC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000274330303 267218058 /nfs/dbraw/zinc/21/80/58/267218058.db2.gz QVLPDUXVDAMWGE-ZDUSSCGKSA-N 1 2 338.335 3.203 20 5 EGBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(O)c1 ZINC000181550358 275207826 /nfs/dbraw/zinc/20/78/26/275207826.db2.gz UDQPGDYPRBUJQY-NSHDSACASA-N 1 2 340.339 3.201 20 5 EGBDLO CCc1nnc([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000279086824 275302661 /nfs/dbraw/zinc/30/26/61/275302661.db2.gz NDAQMFZUSUZRBC-YGRLFVJLSA-N 1 2 329.404 3.349 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)CCC2 ZINC000279505017 275335819 /nfs/dbraw/zinc/33/58/19/275335819.db2.gz NAUQFXMHNUMCSA-SFHVURJKSA-N 1 2 349.394 3.343 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](C)O2 ZINC000279672046 275348687 /nfs/dbraw/zinc/34/86/87/275348687.db2.gz DOEKVZFDVBAQSH-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](C)O2 ZINC000279672046 275348688 /nfs/dbraw/zinc/34/86/88/275348688.db2.gz DOEKVZFDVBAQSH-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000281825061 275579951 /nfs/dbraw/zinc/57/99/51/275579951.db2.gz OOSUPYPJIQFFLL-HNNXBMFYSA-N 1 2 346.362 3.318 20 5 EGBDLO CC(C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342771059 275918218 /nfs/dbraw/zinc/91/82/18/275918218.db2.gz YEDNTLOKFBXIDN-OAHLLOKOSA-N 1 2 342.399 3.431 20 5 EGBDLO C[NH+](C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000287236394 276099527 /nfs/dbraw/zinc/09/95/27/276099527.db2.gz JNOUXMQJXCQXHF-HNNXBMFYSA-N 1 2 336.342 3.170 20 5 EGBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304072 276318919 /nfs/dbraw/zinc/31/89/19/276318919.db2.gz BVAREYOEINDVNL-FFVOIRBGSA-N 1 2 339.244 3.100 20 5 EGBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304072 276318920 /nfs/dbraw/zinc/31/89/20/276318920.db2.gz BVAREYOEINDVNL-FFVOIRBGSA-N 1 2 339.244 3.100 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000292507528 276811484 /nfs/dbraw/zinc/81/14/84/276811484.db2.gz OCRPJSCXJQLTOA-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO O=[N+]([O-])c1ccccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029525919 280375831 /nfs/dbraw/zinc/37/58/31/280375831.db2.gz GDARVKYSSOLIMS-GOSISDBHSA-N 1 2 327.384 3.080 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000414334500 309073527 /nfs/dbraw/zinc/07/35/27/309073527.db2.gz BMHGPRIFTRHZNT-BFYDXBDKSA-N 1 2 338.367 3.156 20 5 EGBDLO COc1cc(C[N@@H+]2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])cc1F ZINC000295957423 308378881 /nfs/dbraw/zinc/37/88/81/308378881.db2.gz MKSBSQMMIGBUGM-UHFFFAOYSA-N 1 2 343.358 3.427 20 5 EGBDLO COc1cc(C[N@H+]2CCC=C(c3cccnc3)C2)c([N+](=O)[O-])cc1F ZINC000295957423 308378882 /nfs/dbraw/zinc/37/88/82/308378882.db2.gz MKSBSQMMIGBUGM-UHFFFAOYSA-N 1 2 343.358 3.427 20 5 EGBDLO Cc1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000301438360 308700417 /nfs/dbraw/zinc/70/04/17/308700417.db2.gz LDMXQRPXSUGGDA-GOSISDBHSA-N 1 2 341.411 3.389 20 5 EGBDLO C[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000413201707 309021075 /nfs/dbraw/zinc/02/10/75/309021075.db2.gz WDHFNJLDTXXWJZ-DYVFJYSZSA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@@H]1n1cc[nH+]c1 ZINC000413203592 309021209 /nfs/dbraw/zinc/02/12/09/309021209.db2.gz XJXYKRMMMGLKJY-GUYCJALGSA-N 1 2 337.383 3.427 20 5 EGBDLO Cc1nc(C(C)C)oc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000428465465 309552122 /nfs/dbraw/zinc/55/21/22/309552122.db2.gz ZMJXZTDHUYNSOB-UHFFFAOYSA-N 1 2 344.415 3.337 20 5 EGBDLO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1[nH]cc[nH+]1 ZINC000442825906 309888699 /nfs/dbraw/zinc/88/86/99/309888699.db2.gz WJZWIYWRIHZLEB-LLVKDONJSA-N 1 2 342.277 3.218 20 5 EGBDLO Cc1cscc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816110 309989629 /nfs/dbraw/zinc/98/96/29/309989629.db2.gz HZOCEKIUNSKFEX-UHFFFAOYSA-N 1 2 347.440 3.409 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000450822369 310144306 /nfs/dbraw/zinc/14/43/06/310144306.db2.gz BBNLKCXEDYCCDX-LLVKDONJSA-N 1 2 332.360 3.079 20 5 EGBDLO C[C@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450836326 310144986 /nfs/dbraw/zinc/14/49/86/310144986.db2.gz YNOCJLFXOJSNNQ-CBAPKCEASA-N 1 2 338.165 3.067 20 5 EGBDLO CCCc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451543807 310184598 /nfs/dbraw/zinc/18/45/98/310184598.db2.gz CXULOPQBELAVLT-CQSZACIVSA-N 1 2 330.388 3.310 20 5 EGBDLO CCCc1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451543807 310184599 /nfs/dbraw/zinc/18/45/99/310184599.db2.gz CXULOPQBELAVLT-CQSZACIVSA-N 1 2 330.388 3.310 20 5 EGBDLO CC(C)[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(C)C ZINC000452133785 310214353 /nfs/dbraw/zinc/21/43/53/310214353.db2.gz RSGZRBAVFQZAHV-INIZCTEOSA-N 1 2 342.399 3.287 20 5 EGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC000453322671 310271125 /nfs/dbraw/zinc/27/11/25/310271125.db2.gz PFMRENWLQFFFLG-JTQLQIEISA-N 1 2 338.795 3.231 20 5 EGBDLO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc(O)c3[N+](=O)[O-])ccc21 ZINC000456327129 310398650 /nfs/dbraw/zinc/39/86/50/310398650.db2.gz RBWQACRMKBLBNJ-HNNXBMFYSA-N 1 2 341.367 3.102 20 5 EGBDLO CCC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000477295225 310842585 /nfs/dbraw/zinc/84/25/85/310842585.db2.gz DYUVKROOGUYWCI-CYBMUJFWSA-N 1 2 328.796 3.112 20 5 EGBDLO Cc1nnsc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000492004293 311207707 /nfs/dbraw/zinc/20/77/07/311207707.db2.gz WSLFDWCLDHEZJH-UHFFFAOYSA-N 1 2 347.425 3.168 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000505604029 312027716 /nfs/dbraw/zinc/02/77/16/312027716.db2.gz BGCOALOJDCKAIE-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO CN(CC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000509655394 312122621 /nfs/dbraw/zinc/12/26/21/312122621.db2.gz FPJILVSRLIWEJR-UHFFFAOYSA-N 1 2 335.354 3.441 20 5 EGBDLO CN(CC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000509655394 312122623 /nfs/dbraw/zinc/12/26/23/312122623.db2.gz FPJILVSRLIWEJR-UHFFFAOYSA-N 1 2 335.354 3.441 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515261793 312273733 /nfs/dbraw/zinc/27/37/33/312273733.db2.gz KRZRAABYMYUKTM-IBGZPJMESA-N 1 2 342.395 3.356 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515261793 312273735 /nfs/dbraw/zinc/27/37/35/312273735.db2.gz KRZRAABYMYUKTM-IBGZPJMESA-N 1 2 342.395 3.356 20 5 EGBDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000536637979 314133464 /nfs/dbraw/zinc/13/34/64/314133464.db2.gz BSAIBRPADGQFIV-CZUORRHYSA-N 1 2 342.399 3.028 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3c(F)cccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000553299625 315256100 /nfs/dbraw/zinc/25/61/00/315256100.db2.gz NCAVYEDVAOHDCZ-VXGBXAGGSA-N 1 2 346.362 3.486 20 5 EGBDLO Cc1oc2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000180399830 323439238 /nfs/dbraw/zinc/43/92/38/323439238.db2.gz ZAPYDQSZGFVAOF-SNVBAGLBSA-N 1 2 341.371 3.181 20 5 EGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000029844724 453832017 /nfs/dbraw/zinc/83/20/17/453832017.db2.gz KMSCZPJILBWKRI-SFHVURJKSA-N 1 2 341.411 3.389 20 5 EGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000031807536 453855595 /nfs/dbraw/zinc/85/55/95/453855595.db2.gz MJNMMMXTPAPAGK-ZDUSSCGKSA-N 1 2 336.351 3.272 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161952 453865776 /nfs/dbraw/zinc/86/57/76/453865776.db2.gz GUCBXHFGOMPWMJ-HIFRSBDPSA-N 1 2 342.399 3.431 20 5 EGBDLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181837345 455388183 /nfs/dbraw/zinc/38/81/83/455388183.db2.gz MVBWJKSAHGRASP-NEPJUHHUSA-N 1 2 334.376 3.235 20 5 EGBDLO CC(C)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000083248175 453946481 /nfs/dbraw/zinc/94/64/81/453946481.db2.gz ALSQMFTUZQRLJX-LSDHHAIUSA-N 1 2 349.431 3.059 20 5 EGBDLO CC(C)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000083248175 453946484 /nfs/dbraw/zinc/94/64/84/453946484.db2.gz ALSQMFTUZQRLJX-LSDHHAIUSA-N 1 2 349.431 3.059 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC000084133240 453971607 /nfs/dbraw/zinc/97/16/07/453971607.db2.gz UGSHMGXJCDJADC-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)c1 ZINC000084133240 453971609 /nfs/dbraw/zinc/97/16/09/453971609.db2.gz UGSHMGXJCDJADC-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000076608606 454018971 /nfs/dbraw/zinc/01/89/71/454018971.db2.gz YRMDWBNEAMWNRL-SFHVURJKSA-N 1 2 328.368 3.177 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000076608606 454018975 /nfs/dbraw/zinc/01/89/75/454018975.db2.gz YRMDWBNEAMWNRL-SFHVURJKSA-N 1 2 328.368 3.177 20 5 EGBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000069066457 454076034 /nfs/dbraw/zinc/07/60/34/454076034.db2.gz WCWARFUDYSPTHG-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000069066457 454076037 /nfs/dbraw/zinc/07/60/37/454076037.db2.gz WCWARFUDYSPTHG-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000070696268 454172066 /nfs/dbraw/zinc/17/20/66/454172066.db2.gz SDUYYOHGOBHBPX-DNVCBOLYSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000070696268 454172070 /nfs/dbraw/zinc/17/20/70/454172070.db2.gz SDUYYOHGOBHBPX-DNVCBOLYSA-N 1 2 342.395 3.436 20 5 EGBDLO COc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000045859976 454189853 /nfs/dbraw/zinc/18/98/53/454189853.db2.gz UWPPQISBAAGTKI-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO CC(C)CN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130870996 454223158 /nfs/dbraw/zinc/22/31/58/454223158.db2.gz RKMIXAXSQRVYQA-UHFFFAOYSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)CN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130870996 454223161 /nfs/dbraw/zinc/22/31/61/454223161.db2.gz RKMIXAXSQRVYQA-UHFFFAOYSA-N 1 2 345.443 3.206 20 5 EGBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120203137 454271011 /nfs/dbraw/zinc/27/10/11/454271011.db2.gz QNSCHAHMJOISKJ-GFCCVEGCSA-N 1 2 334.763 3.339 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(Cl)c1 ZINC000060349563 454279766 /nfs/dbraw/zinc/27/97/66/454279766.db2.gz UDRHJBPHJOVTEN-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(CSCCn3cc[nH+]c3)co2)cc1 ZINC000090202812 454292991 /nfs/dbraw/zinc/29/29/91/454292991.db2.gz QWANCFFMYSHUET-UHFFFAOYSA-N 1 2 330.369 3.380 20 5 EGBDLO Cc1cc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000097095964 454405107 /nfs/dbraw/zinc/40/51/07/454405107.db2.gz ATMJHQVHSWBALN-AWEZNQCLSA-N 1 2 329.360 3.385 20 5 EGBDLO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000074725961 454624640 /nfs/dbraw/zinc/62/46/40/454624640.db2.gz LOJHRZONBGFJRM-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000051688936 454635217 /nfs/dbraw/zinc/63/52/17/454635217.db2.gz PEDMTLIWYROBAP-GOSISDBHSA-N 1 2 346.358 3.316 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000051688936 454635221 /nfs/dbraw/zinc/63/52/21/454635221.db2.gz PEDMTLIWYROBAP-GOSISDBHSA-N 1 2 346.358 3.316 20 5 EGBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005521 454672357 /nfs/dbraw/zinc/67/23/57/454672357.db2.gz UXVMHBIABCQHNP-GFCCVEGCSA-N 1 2 341.433 3.098 20 5 EGBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005521 454672364 /nfs/dbraw/zinc/67/23/64/454672364.db2.gz UXVMHBIABCQHNP-GFCCVEGCSA-N 1 2 341.433 3.098 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000093224131 454693809 /nfs/dbraw/zinc/69/38/09/454693809.db2.gz ZVBOFLSGIJKLMI-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000093224131 454693810 /nfs/dbraw/zinc/69/38/10/454693810.db2.gz ZVBOFLSGIJKLMI-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3csc(C4CC4)n3)C2)nc1 ZINC000136402436 454741376 /nfs/dbraw/zinc/74/13/76/454741376.db2.gz IWHQEVFIXZBEDP-LBPRGKRZSA-N 1 2 345.428 3.010 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3csc(C4CC4)n3)C2)nc1 ZINC000136402436 454741380 /nfs/dbraw/zinc/74/13/80/454741380.db2.gz IWHQEVFIXZBEDP-LBPRGKRZSA-N 1 2 345.428 3.010 20 5 EGBDLO Cc1ccnc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000152934347 454743717 /nfs/dbraw/zinc/74/37/17/454743717.db2.gz NHCUVIQKUCKDJX-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093888790 454744372 /nfs/dbraw/zinc/74/43/72/454744372.db2.gz RGEWGAVCSSYEBO-MCFWBGNESA-N 1 2 348.424 3.231 20 5 EGBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093888790 454744375 /nfs/dbraw/zinc/74/43/75/454744375.db2.gz RGEWGAVCSSYEBO-MCFWBGNESA-N 1 2 348.424 3.231 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125385599 454817546 /nfs/dbraw/zinc/81/75/46/454817546.db2.gz JITQBNOZCVKGCA-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125385599 454817550 /nfs/dbraw/zinc/81/75/50/454817550.db2.gz JITQBNOZCVKGCA-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO CCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000155476025 455006185 /nfs/dbraw/zinc/00/61/85/455006185.db2.gz OOIWJEIPQZLIBF-ZDUSSCGKSA-N 1 2 330.331 3.197 20 5 EGBDLO CCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000155476025 455006187 /nfs/dbraw/zinc/00/61/87/455006187.db2.gz OOIWJEIPQZLIBF-ZDUSSCGKSA-N 1 2 330.331 3.197 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128027988 455019537 /nfs/dbraw/zinc/01/95/37/455019537.db2.gz OOGLWTYFHNKEQY-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128027988 455019543 /nfs/dbraw/zinc/01/95/43/455019543.db2.gz OOGLWTYFHNKEQY-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000180024336 455117906 /nfs/dbraw/zinc/11/79/06/455117906.db2.gz XDTMUPVOUFPQCI-JTQLQIEISA-N 1 2 329.385 3.433 20 5 EGBDLO Cc1c(CNc2ccccc2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000172886092 455203450 /nfs/dbraw/zinc/20/34/50/455203450.db2.gz QDMOTASPPYGBND-UHFFFAOYSA-N 1 2 341.411 3.348 20 5 EGBDLO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000183930145 455340786 /nfs/dbraw/zinc/34/07/86/455340786.db2.gz NZNDKZATQFQRSL-NSHDSACASA-N 1 2 348.428 3.212 20 5 EGBDLO COc1cc(C[NH2+][C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])cc1O ZINC000191128956 455449057 /nfs/dbraw/zinc/44/90/57/455449057.db2.gz HJGRXLGZQUJZJI-ZDUSSCGKSA-N 1 2 348.330 3.062 20 5 EGBDLO CCOC[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000267040432 455495860 /nfs/dbraw/zinc/49/58/60/455495860.db2.gz COHVNXSDKWDQER-AWEZNQCLSA-N 1 2 342.399 3.223 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000283911934 455610166 /nfs/dbraw/zinc/61/01/66/455610166.db2.gz BWAABDRXDFGOOZ-HNNXBMFYSA-N 1 2 328.328 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000283911934 455610169 /nfs/dbraw/zinc/61/01/69/455610169.db2.gz BWAABDRXDFGOOZ-HNNXBMFYSA-N 1 2 328.328 3.235 20 5 EGBDLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@@]1=O ZINC000277679163 455633051 /nfs/dbraw/zinc/63/30/51/455633051.db2.gz QEBCEMCUZLRHLZ-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@@]1=O ZINC000277679163 455633054 /nfs/dbraw/zinc/63/30/54/455633054.db2.gz QEBCEMCUZLRHLZ-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000187276583 455890555 /nfs/dbraw/zinc/89/05/55/455890555.db2.gz NUEQKJGFRSCUIC-SFHVURJKSA-N 1 2 348.349 3.489 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000187276583 455890563 /nfs/dbraw/zinc/89/05/63/455890563.db2.gz NUEQKJGFRSCUIC-SFHVURJKSA-N 1 2 348.349 3.489 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270277042 455918348 /nfs/dbraw/zinc/91/83/48/455918348.db2.gz LYBPIOZYYZSEEP-JTQLQIEISA-N 1 2 343.305 3.116 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270277042 455918351 /nfs/dbraw/zinc/91/83/51/455918351.db2.gz LYBPIOZYYZSEEP-JTQLQIEISA-N 1 2 343.305 3.116 20 5 EGBDLO CS[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296501143 455956628 /nfs/dbraw/zinc/95/66/28/455956628.db2.gz ZGLBZAMXPDQEEA-KOLCDFICSA-N 1 2 343.836 3.013 20 5 EGBDLO CS[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296501143 455956631 /nfs/dbraw/zinc/95/66/31/455956631.db2.gz ZGLBZAMXPDQEEA-KOLCDFICSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2F)CC1 ZINC000270702418 456018534 /nfs/dbraw/zinc/01/85/34/456018534.db2.gz VBTBEXKTUOYSOV-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000270828209 456048295 /nfs/dbraw/zinc/04/82/95/456048295.db2.gz CIFVDLVSIPHRIG-ZDUSSCGKSA-N 1 2 345.378 3.109 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000270828209 456048299 /nfs/dbraw/zinc/04/82/99/456048299.db2.gz CIFVDLVSIPHRIG-ZDUSSCGKSA-N 1 2 345.378 3.109 20 5 EGBDLO Cc1ccc([C@@H](C)Nc2nc(N(C)C)nc(C(C)C)[nH+]2)cc1[N+](=O)[O-] ZINC000301918209 456251336 /nfs/dbraw/zinc/25/13/36/456251336.db2.gz DZKQEXIEFPOPDQ-GFCCVEGCSA-N 1 2 344.419 3.451 20 5 EGBDLO Cc1ccc([C@@H](C)Nc2nc(C(C)C)[nH+]c(N(C)C)n2)cc1[N+](=O)[O-] ZINC000301918209 456251340 /nfs/dbraw/zinc/25/13/40/456251340.db2.gz DZKQEXIEFPOPDQ-GFCCVEGCSA-N 1 2 344.419 3.451 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000281691406 456294499 /nfs/dbraw/zinc/29/44/99/456294499.db2.gz NCKVLEDBDMHXLN-KRWDZBQOSA-N 1 2 348.786 3.008 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1NCc1ccccc1-n1cc[nH+]c1)CCN2 ZINC000302665642 456370825 /nfs/dbraw/zinc/37/08/25/456370825.db2.gz JIEWJYOHHSIKLE-UHFFFAOYSA-N 1 2 335.367 3.361 20 5 EGBDLO Cc1c(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000348124856 456500937 /nfs/dbraw/zinc/50/09/37/456500937.db2.gz HKENNRSFBDVXNS-UHFFFAOYSA-N 1 2 343.402 3.360 20 5 EGBDLO Cc1c(CN2CC[NH+](Cc3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000348124856 456500939 /nfs/dbraw/zinc/50/09/39/456500939.db2.gz HKENNRSFBDVXNS-UHFFFAOYSA-N 1 2 343.402 3.360 20 5 EGBDLO COC(=O)c1cc(NCc2cc(OC)cc(C)[nH+]2)c(C)c([N+](=O)[O-])c1 ZINC000276909137 456616798 /nfs/dbraw/zinc/61/67/98/456616798.db2.gz JQEWMWXBPZBSRQ-UHFFFAOYSA-N 1 2 345.355 3.014 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000299372273 456672287 /nfs/dbraw/zinc/67/22/87/456672287.db2.gz IUCDWDABNWWKIA-UHFFFAOYSA-N 1 2 343.383 3.196 20 5 EGBDLO CN(CC1CCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299396558 456679634 /nfs/dbraw/zinc/67/96/34/456679634.db2.gz IWMJIFGORUKYEI-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000353483654 456707677 /nfs/dbraw/zinc/70/76/77/456707677.db2.gz RZJDHYKLKCCUOY-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH+]c3ccc(Cl)cn13)CC2 ZINC000353588320 456785050 /nfs/dbraw/zinc/78/50/50/456785050.db2.gz LULGYTHDGUENBK-UHFFFAOYSA-N 1 2 342.786 3.454 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@](=O)C1 ZINC000277491515 456842738 /nfs/dbraw/zinc/84/27/38/456842738.db2.gz NKWOZTVVPUOWMF-RZFZLAGVSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@](=O)C1 ZINC000277491515 456842748 /nfs/dbraw/zinc/84/27/48/456842748.db2.gz NKWOZTVVPUOWMF-RZFZLAGVSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000353669775 456844370 /nfs/dbraw/zinc/84/43/70/456844370.db2.gz FDYBHHHDZJXYEZ-GWCFXTLKSA-N 1 2 342.321 3.206 20 5 EGBDLO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000344801574 456860695 /nfs/dbraw/zinc/86/06/95/456860695.db2.gz WUOIPPWRUHHSPI-KDOFPFPSSA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000344801574 456860697 /nfs/dbraw/zinc/86/06/97/456860697.db2.gz WUOIPPWRUHHSPI-KDOFPFPSSA-N 1 2 339.395 3.047 20 5 EGBDLO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339113720 456946529 /nfs/dbraw/zinc/94/65/29/456946529.db2.gz KTTURXGKBUWQQB-IBGZPJMESA-N 1 2 344.411 3.464 20 5 EGBDLO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339113720 456946534 /nfs/dbraw/zinc/94/65/34/456946534.db2.gz KTTURXGKBUWQQB-IBGZPJMESA-N 1 2 344.411 3.464 20 5 EGBDLO COc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000356533589 457041609 /nfs/dbraw/zinc/04/16/09/457041609.db2.gz UPTSXRXTXHUELM-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000356533589 457041619 /nfs/dbraw/zinc/04/16/19/457041619.db2.gz UPTSXRXTXHUELM-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000349763777 457042966 /nfs/dbraw/zinc/04/29/66/457042966.db2.gz KEOSYVALMNBDQY-GFCCVEGCSA-N 1 2 332.356 3.084 20 5 EGBDLO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000349763777 457042969 /nfs/dbraw/zinc/04/29/69/457042969.db2.gz KEOSYVALMNBDQY-GFCCVEGCSA-N 1 2 332.356 3.084 20 5 EGBDLO C[C@H]1[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1(C)C ZINC000330545916 457055715 /nfs/dbraw/zinc/05/57/15/457055715.db2.gz ZXHUDUDXCNJGEJ-GFCCVEGCSA-N 1 2 331.372 3.249 20 5 EGBDLO C[C@H]1[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1(C)C ZINC000330545916 457055721 /nfs/dbraw/zinc/05/57/21/457055721.db2.gz ZXHUDUDXCNJGEJ-GFCCVEGCSA-N 1 2 331.372 3.249 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000339608072 457171217 /nfs/dbraw/zinc/17/12/17/457171217.db2.gz RLUMFLFKDJECEM-IBGZPJMESA-N 1 2 348.406 3.476 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000339608072 457171223 /nfs/dbraw/zinc/17/12/23/457171223.db2.gz RLUMFLFKDJECEM-IBGZPJMESA-N 1 2 348.406 3.476 20 5 EGBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1cc([N+](=O)[O-])c[nH]1 ZINC000339746606 457246364 /nfs/dbraw/zinc/24/63/64/457246364.db2.gz WMCOTQXJICQCMS-UHFFFAOYSA-N 1 2 349.350 3.090 20 5 EGBDLO Cc1[nH+]c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3C)cc2n1C ZINC000357044025 457294496 /nfs/dbraw/zinc/29/44/96/457294496.db2.gz VIWMHGKURIPQNS-UHFFFAOYSA-N 1 2 338.367 3.028 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(F)c1 ZINC000392724159 457460482 /nfs/dbraw/zinc/46/04/82/457460482.db2.gz RKAJFJJTXBFQQC-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000357479049 457554799 /nfs/dbraw/zinc/55/47/99/457554799.db2.gz RCGQCZQNPKVYKY-UKRRQHHQSA-N 1 2 342.399 3.479 20 5 EGBDLO CNc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cccc1[N+](=O)[O-] ZINC000361161963 457621319 /nfs/dbraw/zinc/62/13/19/457621319.db2.gz PLNFTIIQWWTLPF-UHFFFAOYSA-N 1 2 337.339 3.279 20 5 EGBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000361295609 457682795 /nfs/dbraw/zinc/68/27/95/457682795.db2.gz KERBIVVSQZWMKJ-UHFFFAOYSA-N 1 2 327.388 3.030 20 5 EGBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000361295609 457682798 /nfs/dbraw/zinc/68/27/98/457682798.db2.gz KERBIVVSQZWMKJ-UHFFFAOYSA-N 1 2 327.388 3.030 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000364946306 457719416 /nfs/dbraw/zinc/71/94/16/457719416.db2.gz FIEPWDDFWKMCJK-AEFFLSMTSA-N 1 2 346.427 3.288 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000364946306 457719419 /nfs/dbraw/zinc/71/94/19/457719419.db2.gz FIEPWDDFWKMCJK-AEFFLSMTSA-N 1 2 346.427 3.288 20 5 EGBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c(Cl)cccc1Cl ZINC000358235195 457876749 /nfs/dbraw/zinc/87/67/49/457876749.db2.gz MOAYITXEVHPBSQ-UHFFFAOYSA-N 1 2 329.187 3.230 20 5 EGBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c(Cl)cccc1Cl ZINC000358235195 457876754 /nfs/dbraw/zinc/87/67/54/457876754.db2.gz MOAYITXEVHPBSQ-UHFFFAOYSA-N 1 2 329.187 3.230 20 5 EGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000444684288 457939444 /nfs/dbraw/zinc/93/94/44/457939444.db2.gz JEYKDMNLHPQNNX-HNNXBMFYSA-N 1 2 344.371 3.104 20 5 EGBDLO CCOc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000428691275 458191372 /nfs/dbraw/zinc/19/13/72/458191372.db2.gz MUMAFAWUPHFQGQ-UHFFFAOYSA-N 1 2 330.388 3.163 20 5 EGBDLO CCCCOC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000362456680 458192898 /nfs/dbraw/zinc/19/28/98/458192898.db2.gz WRVMUJZOXQRCRN-UHFFFAOYSA-N 1 2 349.431 3.123 20 5 EGBDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446736597 458223065 /nfs/dbraw/zinc/22/30/65/458223065.db2.gz PYMPHXKVIPTELH-ZNMIVQPWSA-N 1 2 345.443 3.131 20 5 EGBDLO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446736597 458223073 /nfs/dbraw/zinc/22/30/73/458223073.db2.gz PYMPHXKVIPTELH-ZNMIVQPWSA-N 1 2 345.443 3.131 20 5 EGBDLO CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000362569686 458275284 /nfs/dbraw/zinc/27/52/84/458275284.db2.gz YPOPCMOIGFPITI-TZMCWYRMSA-N 1 2 328.372 3.089 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C[C@H]3CCO[C@@H]3c3ccccc3)[nH]c2c1 ZINC000447680362 458328621 /nfs/dbraw/zinc/32/86/21/458328621.db2.gz RDCASIPOEALJCT-CXAGYDPISA-N 1 2 338.367 3.083 20 5 EGBDLO CC[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447812609 458344942 /nfs/dbraw/zinc/34/49/42/458344942.db2.gz MUZFEOSDPHDZRT-MRXNPFEDSA-N 1 2 347.459 3.444 20 5 EGBDLO Cc1c(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000373080355 458393549 /nfs/dbraw/zinc/39/35/49/458393549.db2.gz NMBHHDLSHMTAKI-ZDUSSCGKSA-N 1 2 343.387 3.048 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000377885977 458564501 /nfs/dbraw/zinc/56/45/01/458564501.db2.gz XAWGEXHTJPBMGM-JTQLQIEISA-N 1 2 349.778 3.003 20 5 EGBDLO CCOC(=O)[C@@H](CC)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000470263824 458626322 /nfs/dbraw/zinc/62/63/22/458626322.db2.gz ODSXJZZBFNTPSC-DZFYGRHCSA-N 1 2 332.400 3.414 20 5 EGBDLO CCOC(=O)[C@@H](CC)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000470263824 458626326 /nfs/dbraw/zinc/62/63/26/458626326.db2.gz ODSXJZZBFNTPSC-DZFYGRHCSA-N 1 2 332.400 3.414 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000471184613 458682897 /nfs/dbraw/zinc/68/28/97/458682897.db2.gz BDEBOZXFFIKWKU-KRWDZBQOSA-N 1 2 325.368 3.289 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000471184613 458682901 /nfs/dbraw/zinc/68/29/01/458682901.db2.gz BDEBOZXFFIKWKU-KRWDZBQOSA-N 1 2 325.368 3.289 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000479551748 459148172 /nfs/dbraw/zinc/14/81/72/459148172.db2.gz WJHVRAZTEWUXCE-OAHLLOKOSA-N 1 2 343.387 3.218 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](C2CCC2)C1 ZINC000591204179 459333348 /nfs/dbraw/zinc/33/33/48/459333348.db2.gz IMAPLYZRWPAWGI-QGZVFWFLSA-N 1 2 345.443 3.053 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595799222 459446047 /nfs/dbraw/zinc/44/60/47/459446047.db2.gz JZEAHJKTKCKPGU-CQSZACIVSA-N 1 2 347.394 3.293 20 5 EGBDLO C[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000562397255 459553392 /nfs/dbraw/zinc/55/33/92/459553392.db2.gz OELCUHSOKZKDLR-AWEZNQCLSA-N 1 2 342.399 3.102 20 5 EGBDLO COc1cccc(NCc2ccc[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000596357666 459606843 /nfs/dbraw/zinc/60/68/43/459606843.db2.gz PHJHNMBRSWXCIK-UHFFFAOYSA-N 1 2 328.372 3.211 20 5 EGBDLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543862400 459709634 /nfs/dbraw/zinc/70/96/34/459709634.db2.gz QYXXNRXGZMGFLT-AWEZNQCLSA-N 1 2 342.823 3.358 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC([C@H]3CCOC3)CC2)c(F)c1 ZINC000586769088 459868349 /nfs/dbraw/zinc/86/83/49/459868349.db2.gz CSKFUTACZZRQTC-LBPRGKRZSA-N 1 2 326.343 3.122 20 5 EGBDLO CC(C)(C)c1nnc2n1CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597241034 459891780 /nfs/dbraw/zinc/89/17/80/459891780.db2.gz BXTHYIRQVLZXEJ-SOFGYWHQSA-N 1 2 341.415 3.013 20 5 EGBDLO CC(C)(C)c1nnc2n1CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597241034 459891785 /nfs/dbraw/zinc/89/17/85/459891785.db2.gz BXTHYIRQVLZXEJ-SOFGYWHQSA-N 1 2 341.415 3.013 20 5 EGBDLO CC1(C)C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602472087 459955578 /nfs/dbraw/zinc/95/55/78/459955578.db2.gz GFAZBGVQEVVBNM-UHFFFAOYSA-N 1 2 349.250 3.420 20 5 EGBDLO CC1(C)C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602472087 459955584 /nfs/dbraw/zinc/95/55/84/459955584.db2.gz GFAZBGVQEVVBNM-UHFFFAOYSA-N 1 2 349.250 3.420 20 5 EGBDLO COc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000609287676 459935646 /nfs/dbraw/zinc/93/56/46/459935646.db2.gz MRUVIXYIDHGHDI-LBPRGKRZSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000609287676 459935650 /nfs/dbraw/zinc/93/56/50/459935650.db2.gz MRUVIXYIDHGHDI-LBPRGKRZSA-N 1 2 348.321 3.147 20 5 EGBDLO O=[N+]([O-])c1ncccc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000609333910 459946429 /nfs/dbraw/zinc/94/64/29/459946429.db2.gz HYTVYIALZHPEPU-UHFFFAOYSA-N 1 2 327.388 3.377 20 5 EGBDLO O=C(C[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609539914 459978005 /nfs/dbraw/zinc/97/80/05/459978005.db2.gz IEELXZLNKIWDQX-LLVKDONJSA-N 1 2 349.774 3.269 20 5 EGBDLO O=C(C[N@H+]1CC[C@@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609539914 459978011 /nfs/dbraw/zinc/97/80/11/459978011.db2.gz IEELXZLNKIWDQX-LLVKDONJSA-N 1 2 349.774 3.269 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000576097131 460068578 /nfs/dbraw/zinc/06/85/78/460068578.db2.gz HWWQSGBRFFTNEV-IAGOWNOFSA-N 1 2 334.416 3.383 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000576097131 460068585 /nfs/dbraw/zinc/06/85/85/460068585.db2.gz HWWQSGBRFFTNEV-IAGOWNOFSA-N 1 2 334.416 3.383 20 5 EGBDLO CCC[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000599062573 460147994 /nfs/dbraw/zinc/14/79/94/460147994.db2.gz ZTBXMBDTCJWIAM-SJORKVTESA-N 1 2 346.431 3.213 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)on1 ZINC000610581319 460189108 /nfs/dbraw/zinc/18/91/08/460189108.db2.gz YHQKHYNYDKOJEA-ZDUSSCGKSA-N 1 2 328.328 3.370 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)on1 ZINC000610581319 460189114 /nfs/dbraw/zinc/18/91/14/460189114.db2.gz YHQKHYNYDKOJEA-ZDUSSCGKSA-N 1 2 328.328 3.370 20 5 EGBDLO CC1(F)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000602993251 460215206 /nfs/dbraw/zinc/21/52/06/460215206.db2.gz VOBUZOMSLHFFRC-UHFFFAOYSA-N 1 2 329.759 3.011 20 5 EGBDLO COC(=O)C1([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000611153927 460297652 /nfs/dbraw/zinc/29/76/52/460297652.db2.gz ZHFKACITKOVHOZ-UHFFFAOYSA-N 1 2 347.371 3.044 20 5 EGBDLO COC(=O)C1([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000611153927 460297655 /nfs/dbraw/zinc/29/76/55/460297655.db2.gz ZHFKACITKOVHOZ-UHFFFAOYSA-N 1 2 347.371 3.044 20 5 EGBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676662 460307068 /nfs/dbraw/zinc/30/70/68/460307068.db2.gz GCWAOCZPFRXERE-MRXNPFEDSA-N 1 2 344.342 3.006 20 5 EGBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676662 460307073 /nfs/dbraw/zinc/30/70/73/460307073.db2.gz GCWAOCZPFRXERE-MRXNPFEDSA-N 1 2 344.342 3.006 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951186 460363465 /nfs/dbraw/zinc/36/34/65/460363465.db2.gz BCCQLUPQUIHMLD-UHFFFAOYSA-N 1 2 346.412 3.019 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951186 460363472 /nfs/dbraw/zinc/36/34/72/460363472.db2.gz BCCQLUPQUIHMLD-UHFFFAOYSA-N 1 2 346.412 3.019 20 5 EGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000619757424 460433947 /nfs/dbraw/zinc/43/39/47/460433947.db2.gz CLIUZAOOGKGBFW-NSHDSACASA-N 1 2 342.380 3.333 20 5 EGBDLO Cc1nc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)cs1 ZINC000604508363 460439048 /nfs/dbraw/zinc/43/90/48/460439048.db2.gz HXVYUCPDCVMWML-UHFFFAOYSA-N 1 2 341.396 3.159 20 5 EGBDLO CCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611773134 460456394 /nfs/dbraw/zinc/45/63/94/460456394.db2.gz APWDUWQXGDNIKV-UHFFFAOYSA-N 1 2 339.823 3.129 20 5 EGBDLO CC(C)Oc1nc(NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000515432416 467991840 /nfs/dbraw/zinc/99/18/40/467991840.db2.gz DGHKHFLJJWDYIN-UHFFFAOYSA-N 1 2 327.344 3.037 20 5 EGBDLO O=[N+]([O-])c1cc(Br)cnc1NCc1cn2ccccc2[nH+]1 ZINC000129249130 534879804 /nfs/dbraw/zinc/87/98/04/534879804.db2.gz CWUCXCKKKQAEOG-UHFFFAOYSA-N 1 2 348.160 3.012 20 5 EGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000132060325 526593214 /nfs/dbraw/zinc/59/32/14/526593214.db2.gz HSZUAOMBJLOULR-UHFFFAOYSA-N 1 2 345.355 3.185 20 5 EGBDLO CC(C)N(C)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000361566779 535028424 /nfs/dbraw/zinc/02/84/24/535028424.db2.gz TZJFYGTYXPRGRA-UHFFFAOYSA-N 1 2 340.427 3.393 20 5 EGBDLO CC(C)N(C)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000361566779 535028431 /nfs/dbraw/zinc/02/84/31/535028431.db2.gz TZJFYGTYXPRGRA-UHFFFAOYSA-N 1 2 340.427 3.393 20 5 EGBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c[nH+]1 ZINC000341255769 536147255 /nfs/dbraw/zinc/14/72/55/536147255.db2.gz BYFOTCOTZRFDOY-UHFFFAOYSA-N 1 2 349.394 3.152 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1C ZINC000736744223 576017561 /nfs/dbraw/zinc/01/75/61/576017561.db2.gz YIERHRBQTVFFQT-TWGQIWQCSA-N 1 2 342.351 3.372 20 5 EGBDLO O=[N+]([O-])c1ccc(Br)cc1NCCNc1cccc[nH+]1 ZINC000741747097 576716451 /nfs/dbraw/zinc/71/64/51/576716451.db2.gz NQUKXBVYTNXHRR-UHFFFAOYSA-N 1 2 337.177 3.276 20 5 EGBDLO CC[N@@H+](Cc1cccc(-c2ccncc2)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000742157914 576753074 /nfs/dbraw/zinc/75/30/74/576753074.db2.gz AJQJGBBXBOVOOP-UHFFFAOYSA-N 1 2 337.383 3.333 20 5 EGBDLO CC[N@H+](Cc1cccc(-c2ccncc2)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000742157914 576753076 /nfs/dbraw/zinc/75/30/76/576753076.db2.gz AJQJGBBXBOVOOP-UHFFFAOYSA-N 1 2 337.383 3.333 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccoc1 ZINC000102409411 1292976126 /nfs/dbraw/zinc/97/61/26/1292976126.db2.gz IJWYSKLYHNQIJV-UHFFFAOYSA-N 1 2 337.763 3.302 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccoc1 ZINC000102409411 1292976131 /nfs/dbraw/zinc/97/61/31/1292976131.db2.gz IJWYSKLYHNQIJV-UHFFFAOYSA-N 1 2 337.763 3.302 20 5 EGBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172928428 1294449872 /nfs/dbraw/zinc/44/98/72/1294449872.db2.gz ATPVSGUDYRWMAG-CQSZACIVSA-N 1 2 349.394 3.258 20 5 EGBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172928428 1294449873 /nfs/dbraw/zinc/44/98/73/1294449873.db2.gz ATPVSGUDYRWMAG-CQSZACIVSA-N 1 2 349.394 3.258 20 5 EGBDLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000870125557 1295683584 /nfs/dbraw/zinc/68/35/84/1295683584.db2.gz LBYCEYUGQWDNNF-CYBMUJFWSA-N 1 2 345.424 3.175 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000874378979 1297878798 /nfs/dbraw/zinc/87/87/98/1297878798.db2.gz IIFBISRKQFGYCE-UHFFFAOYSA-N 1 2 342.399 3.229 20 5 EGBDLO C[C@H]1COCCN1c1ccc([NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000876865922 1299039935 /nfs/dbraw/zinc/03/99/35/1299039935.db2.gz KBURKGQGYYWNTL-HNNXBMFYSA-N 1 2 341.411 3.475 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878033505 1299716152 /nfs/dbraw/zinc/71/61/52/1299716152.db2.gz XWHOYFQACMROIL-UHFFFAOYSA-N 1 2 344.293 3.419 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878033505 1299716161 /nfs/dbraw/zinc/71/61/61/1299716161.db2.gz XWHOYFQACMROIL-UHFFFAOYSA-N 1 2 344.293 3.419 20 5 EGBDLO C[C@@H](C(=O)OCc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1F ZINC000755745514 1300388643 /nfs/dbraw/zinc/38/86/43/1300388643.db2.gz LEYIWQMAQQUPSH-LLVKDONJSA-N 1 2 343.314 3.229 20 5 EGBDLO COc1ccc(NC(=O)C[NH+]2CCC(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000760921150 1301362884 /nfs/dbraw/zinc/36/28/84/1301362884.db2.gz PNKDFNDBFVTXHL-UHFFFAOYSA-N 1 2 349.431 3.300 20 5 EGBDLO Nc1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)cc1[N+](=O)[O-] ZINC000761248129 1301428344 /nfs/dbraw/zinc/42/83/44/1301428344.db2.gz BYXSQSZUIFJGNH-UHFFFAOYSA-N 1 2 348.322 3.080 20 5 EGBDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000881802176 1301725914 /nfs/dbraw/zinc/72/59/14/1301725914.db2.gz WLZSVJAOBKIQKE-MRVPVSSYSA-N 1 2 343.156 3.194 20 5 EGBDLO CN(C)c1cc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000767537189 1302704270 /nfs/dbraw/zinc/70/42/70/1302704270.db2.gz ZECFHZGKZRZCJP-UHFFFAOYSA-N 1 2 335.747 3.066 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000886244794 1303410965 /nfs/dbraw/zinc/41/09/65/1303410965.db2.gz AEUJVWNAIXKYKU-UHFFFAOYSA-N 1 2 348.790 3.082 20 5 EGBDLO O=C(CC[N@H+](CC(F)F)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000887100805 1303675432 /nfs/dbraw/zinc/67/54/32/1303675432.db2.gz RLAKHTXVWROHQK-UHFFFAOYSA-N 1 2 327.331 3.043 20 5 EGBDLO O=C(CC[N@@H+](CC(F)F)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000887100805 1303675438 /nfs/dbraw/zinc/67/54/38/1303675438.db2.gz RLAKHTXVWROHQK-UHFFFAOYSA-N 1 2 327.331 3.043 20 5 EGBDLO C[C@H]1C[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H](C)S1 ZINC000774634277 1303837874 /nfs/dbraw/zinc/83/78/74/1303837874.db2.gz CINPCGFLOZWLQP-UWVGGRQHSA-N 1 2 340.836 3.381 20 5 EGBDLO COc1c(O)ccc(C[N@H+](C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000891603606 1305107974 /nfs/dbraw/zinc/10/79/74/1305107974.db2.gz ZNFLPOAYBSYYKT-UHFFFAOYSA-N 1 2 338.310 3.219 20 5 EGBDLO COc1c(O)ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000891603606 1305107980 /nfs/dbraw/zinc/10/79/80/1305107980.db2.gz ZNFLPOAYBSYYKT-UHFFFAOYSA-N 1 2 338.310 3.219 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000894447794 1308895035 /nfs/dbraw/zinc/89/50/35/1308895035.db2.gz HGNWTLOEDYRSEF-CQSZACIVSA-N 1 2 329.356 3.041 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000894447794 1308895049 /nfs/dbraw/zinc/89/50/49/1308895049.db2.gz HGNWTLOEDYRSEF-CQSZACIVSA-N 1 2 329.356 3.041 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C[C@@H]1c1ccccc1 ZINC000795644328 1309796880 /nfs/dbraw/zinc/79/68/80/1309796880.db2.gz GPDIANVFCAYTNZ-GOSISDBHSA-N 1 2 339.395 3.000 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C[C@@H]1c1ccccc1 ZINC000795644328 1309796887 /nfs/dbraw/zinc/79/68/87/1309796887.db2.gz GPDIANVFCAYTNZ-GOSISDBHSA-N 1 2 339.395 3.000 20 5 EGBDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795677214 1309804986 /nfs/dbraw/zinc/80/49/86/1309804986.db2.gz XFUSMQOMOAAGIS-UKRRQHHQSA-N 1 2 330.388 3.231 20 5 EGBDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795677214 1309804996 /nfs/dbraw/zinc/80/49/96/1309804996.db2.gz XFUSMQOMOAAGIS-UKRRQHHQSA-N 1 2 330.388 3.231 20 5 EGBDLO CCC1(CC)CN(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000800866064 1310822010 /nfs/dbraw/zinc/82/20/10/1310822010.db2.gz QSOOYVBYZQHHIY-UHFFFAOYSA-N 1 2 335.404 3.038 20 5 EGBDLO CCC1(CC)CN(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000800866064 1310822022 /nfs/dbraw/zinc/82/20/22/1310822022.db2.gz QSOOYVBYZQHHIY-UHFFFAOYSA-N 1 2 335.404 3.038 20 5 EGBDLO CC(C)[N@H+](Cc1noc2c1COCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000929338117 1328573236 /nfs/dbraw/zinc/57/32/36/1328573236.db2.gz QMHPOWMTRHNUEE-UHFFFAOYSA-N 1 2 331.372 3.066 20 5 EGBDLO CC(C)[N@@H+](Cc1noc2c1COCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000929338117 1328573239 /nfs/dbraw/zinc/57/32/39/1328573239.db2.gz QMHPOWMTRHNUEE-UHFFFAOYSA-N 1 2 331.372 3.066 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000807923215 1317601140 /nfs/dbraw/zinc/60/11/40/1317601140.db2.gz OUGPZZWDAMSGTR-BETUJISGSA-N 1 2 349.431 3.097 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000807923215 1317601149 /nfs/dbraw/zinc/60/11/49/1317601149.db2.gz OUGPZZWDAMSGTR-BETUJISGSA-N 1 2 349.431 3.097 20 5 EGBDLO CC[C@]1(C)CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000808143411 1317630961 /nfs/dbraw/zinc/63/09/61/1317630961.db2.gz VZHPGHDDIMHNFY-GOSISDBHSA-N 1 2 333.432 3.411 20 5 EGBDLO CC[C@]1(C)CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000808143411 1317630964 /nfs/dbraw/zinc/63/09/64/1317630964.db2.gz VZHPGHDDIMHNFY-GOSISDBHSA-N 1 2 333.432 3.411 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nc2c(s1)CCC2 ZINC000903191029 1317669766 /nfs/dbraw/zinc/66/97/66/1317669766.db2.gz LGPCGYIPFLYJPQ-SNVBAGLBSA-N 1 2 333.413 3.399 20 5 EGBDLO CCc1ccc([C@@H](NC[C@@H]2CC[N@@H+]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319480 1317687403 /nfs/dbraw/zinc/68/74/03/1317687403.db2.gz ZVPAIYXTPPDKMN-YJBOKZPZSA-N 1 2 329.400 3.133 20 5 EGBDLO CCc1ccc([C@@H](NC[C@@H]2CC[N@H+]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319480 1317687407 /nfs/dbraw/zinc/68/74/07/1317687407.db2.gz ZVPAIYXTPPDKMN-YJBOKZPZSA-N 1 2 329.400 3.133 20 5 EGBDLO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000809954595 1317923227 /nfs/dbraw/zinc/92/32/27/1317923227.db2.gz YENHSLIFPMGDSY-LDYMZIIASA-N 1 2 347.198 3.143 20 5 EGBDLO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000809954595 1317923229 /nfs/dbraw/zinc/92/32/29/1317923229.db2.gz YENHSLIFPMGDSY-LDYMZIIASA-N 1 2 347.198 3.143 20 5 EGBDLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809966058 1317926583 /nfs/dbraw/zinc/92/65/83/1317926583.db2.gz VGNPLLVAVGNLSU-VHSXEESVSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809966058 1317926590 /nfs/dbraw/zinc/92/65/90/1317926590.db2.gz VGNPLLVAVGNLSU-VHSXEESVSA-N 1 2 333.215 3.494 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cnnn2-c2ccccc2)c1 ZINC000814298527 1318718998 /nfs/dbraw/zinc/71/89/98/1318718998.db2.gz VTJOOYULJJDJGU-UHFFFAOYSA-N 1 2 343.774 3.119 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820858972 1319969389 /nfs/dbraw/zinc/96/93/89/1319969389.db2.gz CYBJGWUQJSSKMB-LRDDRELGSA-N 1 2 342.399 3.131 20 5 EGBDLO O=C(OCCCn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000837959651 1320713450 /nfs/dbraw/zinc/71/34/50/1320713450.db2.gz PTEXVBJGVXJALO-UHFFFAOYSA-N 1 2 343.261 3.057 20 5 EGBDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839675051 1320958640 /nfs/dbraw/zinc/95/86/40/1320958640.db2.gz OAVQHTJQMVPGSC-ZJUUUORDSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839675051 1320958643 /nfs/dbraw/zinc/95/86/43/1320958643.db2.gz OAVQHTJQMVPGSC-ZJUUUORDSA-N 1 2 333.215 3.494 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280478 1321692609 /nfs/dbraw/zinc/69/26/09/1321692609.db2.gz FXUJGGJKWKAWJY-ZDUSSCGKSA-N 1 2 347.371 3.273 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@H+](Cc2nc3ccccc3s2)C2CC2)c1 ZINC000932397837 1329811384 /nfs/dbraw/zinc/81/13/84/1329811384.db2.gz CNGJFWJHXBAWOQ-UHFFFAOYSA-N 1 2 343.412 3.066 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2nc3ccccc3s2)C2CC2)c1 ZINC000932397837 1329811386 /nfs/dbraw/zinc/81/13/86/1329811386.db2.gz CNGJFWJHXBAWOQ-UHFFFAOYSA-N 1 2 343.412 3.066 20 5 EGBDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cccc([N+](=O)[O-])c3)c2c1 ZINC001204450661 1370479802 /nfs/dbraw/zinc/47/98/02/1370479802.db2.gz SSFZJJGIHPEBHG-UHFFFAOYSA-N 1 2 337.335 3.485 20 5 EGBDLO Cn1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2)cn1 ZINC001116554437 1370935657 /nfs/dbraw/zinc/93/56/57/1370935657.db2.gz SFKJKFKEWHDSRJ-SFHVURJKSA-N 1 2 340.358 3.347 20 5 EGBDLO Cc1ccc(Nc2ccccc2C[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001214171926 1373019018 /nfs/dbraw/zinc/01/90/18/1373019018.db2.gz PBEODRTXIRDNLE-UHFFFAOYSA-N 1 2 340.427 3.394 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001225620717 1375133593 /nfs/dbraw/zinc/13/35/93/1375133593.db2.gz SYWDVYFSLTVXOQ-OAHLLOKOSA-N 1 2 328.368 3.344 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225620717 1375133597 /nfs/dbraw/zinc/13/35/97/1375133597.db2.gz SYWDVYFSLTVXOQ-OAHLLOKOSA-N 1 2 328.368 3.344 20 5 EGBDLO O=[N+]([O-])c1ccc(F)c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001226266778 1375230388 /nfs/dbraw/zinc/23/03/88/1375230388.db2.gz XMZDWFDAYFQHHL-MRXNPFEDSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(F)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001226266778 1375230391 /nfs/dbraw/zinc/23/03/91/1375230391.db2.gz XMZDWFDAYFQHHL-MRXNPFEDSA-N 1 2 346.358 3.014 20 5 EGBDLO CC/C=C(\C)C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001226369997 1375247676 /nfs/dbraw/zinc/24/76/76/1375247676.db2.gz VKDCJIMKTRZMSQ-UUILKARUSA-N 1 2 337.445 3.093 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2cc([N+](=O)[O-])cc(Cl)n2)c1 ZINC001162128959 1382634258 /nfs/dbraw/zinc/63/42/58/1382634258.db2.gz YOHCSIYSCDEBDL-UHFFFAOYSA-N 1 2 336.779 3.437 20 5 EGBDLO O=[N+]([O-])c1cc(NCCc2cn3ccccc3[nH+]2)cc2cccnc21 ZINC001169004382 1384085236 /nfs/dbraw/zinc/08/52/36/1384085236.db2.gz MUYGXNMYUHHLDU-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2nccs2)c1F ZINC001173195940 1384934089 /nfs/dbraw/zinc/93/40/89/1384934089.db2.gz KEVILWPWZJFNDP-JTQLQIEISA-N 1 2 339.392 3.262 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2nccs2)c1F ZINC001173195940 1384934092 /nfs/dbraw/zinc/93/40/92/1384934092.db2.gz KEVILWPWZJFNDP-JTQLQIEISA-N 1 2 339.392 3.262 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2cscn2)c1F ZINC001173195173 1384934144 /nfs/dbraw/zinc/93/41/44/1384934144.db2.gz CUCVLZZJMDKKQA-SNVBAGLBSA-N 1 2 339.392 3.262 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2cscn2)c1F ZINC001173195173 1384934146 /nfs/dbraw/zinc/93/41/46/1384934146.db2.gz CUCVLZZJMDKKQA-SNVBAGLBSA-N 1 2 339.392 3.262 20 5 EGBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC001332254883 1390065661 /nfs/dbraw/zinc/06/56/61/1390065661.db2.gz XJOQRDBZRMYXID-DYVFJYSZSA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC001332254884 1390065911 /nfs/dbraw/zinc/06/59/11/1390065911.db2.gz XJOQRDBZRMYXID-GUYCJALGSA-N 1 2 337.383 3.427 20 5 EGBDLO Cc1cccn2cc(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)[nH+]c12 ZINC001341332413 1390472624 /nfs/dbraw/zinc/47/26/24/1390472624.db2.gz VFOMSZJLGBRODT-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO CCc1ccc(C(=O)OCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC001348523070 1391232040 /nfs/dbraw/zinc/23/20/40/1391232040.db2.gz KNTUHDDJGIECDH-UHFFFAOYSA-N 1 2 343.383 3.090 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000368400701 168352088 /nfs/dbraw/zinc/35/20/88/168352088.db2.gz VXPFRSKKJAMQDT-ZDUSSCGKSA-N 1 2 343.387 3.107 20 5 EGBDLO CC(=O)c1ccc(N2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000022812583 212326470 /nfs/dbraw/zinc/32/64/70/212326470.db2.gz JREDVZAIYSRRJQ-UHFFFAOYSA-N 1 2 345.424 3.181 20 5 EGBDLO Nc1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000376718080 242069969 /nfs/dbraw/zinc/06/99/69/242069969.db2.gz VVLFQLHMFGTVOB-UHFFFAOYSA-N 1 2 327.319 3.114 20 5 EGBDLO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000266533023 248349062 /nfs/dbraw/zinc/34/90/62/248349062.db2.gz MVLDSFGWXGVOHX-ZDUSSCGKSA-N 1 2 346.456 3.239 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000378243372 169091083 /nfs/dbraw/zinc/09/10/83/169091083.db2.gz QZCYMZGJEQUFRU-NSHDSACASA-N 1 2 348.790 3.061 20 5 EGBDLO O=[N+]([O-])c1ccccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000095406217 218342366 /nfs/dbraw/zinc/34/23/66/218342366.db2.gz YHQSTJZBSALVMB-UHFFFAOYSA-N 1 2 327.384 3.039 20 5 EGBDLO Cc1sc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000112667548 220370421 /nfs/dbraw/zinc/37/04/21/220370421.db2.gz DDRZZBMRCIQBNL-UHFFFAOYSA-N 1 2 348.428 3.020 20 5 EGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1n1cc[nH+]c1 ZINC000268260623 141058465 /nfs/dbraw/zinc/05/84/65/141058465.db2.gz MNEYBNPTZGQUQT-FZKQIMNGSA-N 1 2 337.383 3.427 20 5 EGBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccn2cc[nH+]c2c1 ZINC000353330794 141288860 /nfs/dbraw/zinc/28/88/60/141288860.db2.gz OFHHKYPRAUUXDO-UHFFFAOYSA-N 1 2 345.746 3.218 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[S@@]1=O ZINC000361651062 144343231 /nfs/dbraw/zinc/34/32/31/144343231.db2.gz COKBJJFQZQSDRH-AHZSZHTNSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[S@@]1=O ZINC000361651062 144343233 /nfs/dbraw/zinc/34/32/33/144343233.db2.gz COKBJJFQZQSDRH-AHZSZHTNSA-N 1 2 348.424 3.196 20 5 EGBDLO CC(C)c1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000337281271 154257765 /nfs/dbraw/zinc/25/77/65/154257765.db2.gz JCZYKSZBKTYBJO-UHFFFAOYSA-N 1 2 331.420 3.355 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346998884 156238500 /nfs/dbraw/zinc/23/85/00/156238500.db2.gz YJNIZRSOXNLSGZ-UHFFFAOYSA-N 1 2 348.378 3.045 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000348872895 156270040 /nfs/dbraw/zinc/27/00/40/156270040.db2.gz DCPSVXODTIXMJR-HYXAFXHYSA-N 1 2 326.352 3.208 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000348872895 156270046 /nfs/dbraw/zinc/27/00/46/156270046.db2.gz DCPSVXODTIXMJR-HYXAFXHYSA-N 1 2 326.352 3.208 20 5 EGBDLO O=C(Nc1cc(Cl)ccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000114120953 162222892 /nfs/dbraw/zinc/22/28/92/162222892.db2.gz IXWQVQWPJBWBKD-UHFFFAOYSA-N 1 2 343.730 3.081 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000337173109 163153177 /nfs/dbraw/zinc/15/31/77/163153177.db2.gz GBRXEGDPHNWJSZ-QGZVFWFLSA-N 1 2 337.383 3.416 20 5 EGBDLO C[NH+](C)Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1Cl ZINC000337259427 163184205 /nfs/dbraw/zinc/18/42/05/163184205.db2.gz VPGCKLMWLOYUMD-UHFFFAOYSA-N 1 2 349.774 3.268 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000338919290 163386354 /nfs/dbraw/zinc/38/63/54/163386354.db2.gz GFJVDRDMLHRKQH-UHFFFAOYSA-N 1 2 327.384 3.013 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000338919290 163386356 /nfs/dbraw/zinc/38/63/56/163386356.db2.gz GFJVDRDMLHRKQH-UHFFFAOYSA-N 1 2 327.384 3.013 20 5 EGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346083729 164332729 /nfs/dbraw/zinc/33/27/29/164332729.db2.gz LAWUQOGFXJWUJY-UHFFFAOYSA-N 1 2 326.287 3.376 20 5 EGBDLO Cc1cc(N[C@@H]2CCCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266311500 266275447 /nfs/dbraw/zinc/27/54/47/266275447.db2.gz DLYLCIATWSVFMH-CABCVRRESA-N 1 2 328.372 3.076 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(NCc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC000269615058 266326212 /nfs/dbraw/zinc/32/62/12/266326212.db2.gz GKSRZKZVJGAVEW-UHFFFAOYSA-N 1 2 334.326 3.480 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263948194 275011618 /nfs/dbraw/zinc/01/16/18/275011618.db2.gz NQDKIKYWVVSLIX-NSHDSACASA-N 1 2 340.339 3.084 20 5 EGBDLO O=C(Nc1ccc(F)cc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031813475 275122827 /nfs/dbraw/zinc/12/28/27/275122827.db2.gz HUXOWJMABFRNFD-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285045560 275844353 /nfs/dbraw/zinc/84/43/53/275844353.db2.gz IEVYQMSDUGRLQT-NSHDSACASA-N 1 2 348.403 3.331 20 5 EGBDLO COc1cc[nH+]cc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000287345681 276110413 /nfs/dbraw/zinc/11/04/13/276110413.db2.gz ZCNVNCFADANMOH-UHFFFAOYSA-N 1 2 330.340 3.019 20 5 EGBDLO O=[N+]([O-])c1cc2c(ncnc2NCCCCNc2cccc[nH+]2)s1 ZINC000288072327 276180513 /nfs/dbraw/zinc/18/05/13/276180513.db2.gz VJUYNCQLYMMWLK-UHFFFAOYSA-N 1 2 344.400 3.299 20 5 EGBDLO CN(Cc1[nH+]ccn1C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289365522 276328424 /nfs/dbraw/zinc/32/84/24/276328424.db2.gz NNQPEPMWQKOMQZ-UHFFFAOYSA-N 1 2 329.187 3.267 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000289452205 276341167 /nfs/dbraw/zinc/34/11/67/276341167.db2.gz FQUZDCYAEZFNIR-HOTGVXAUSA-N 1 2 338.354 3.407 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000289452205 276341170 /nfs/dbraw/zinc/34/11/70/276341170.db2.gz FQUZDCYAEZFNIR-HOTGVXAUSA-N 1 2 338.354 3.407 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC1(F)F ZINC000289757477 276389178 /nfs/dbraw/zinc/38/91/78/276389178.db2.gz KLXCBMKRXWYNRB-SNVBAGLBSA-N 1 2 338.314 3.122 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC1(F)F ZINC000289757477 276389181 /nfs/dbraw/zinc/38/91/81/276389181.db2.gz KLXCBMKRXWYNRB-SNVBAGLBSA-N 1 2 338.314 3.122 20 5 EGBDLO Cc1cc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338725927 278717563 /nfs/dbraw/zinc/71/75/63/278717563.db2.gz PBPDIPQWVKYZND-UHFFFAOYSA-N 1 2 326.278 3.139 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000342555085 280372676 /nfs/dbraw/zinc/37/26/76/280372676.db2.gz ZOXOPISACSLJBR-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340193388 280372787 /nfs/dbraw/zinc/37/27/87/280372787.db2.gz WBQIQDADQVANDN-CHWSQXEVSA-N 1 2 336.285 3.012 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340193388 280372788 /nfs/dbraw/zinc/37/27/88/280372788.db2.gz WBQIQDADQVANDN-CHWSQXEVSA-N 1 2 336.285 3.012 20 5 EGBDLO Cc1cc(N2C[C@@H](C)OC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057828705 307347390 /nfs/dbraw/zinc/34/73/90/307347390.db2.gz MPWRUFVDEJRDSI-CYBMUJFWSA-N 1 2 342.399 3.364 20 5 EGBDLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000296224979 308405891 /nfs/dbraw/zinc/40/58/91/308405891.db2.gz BVNPKGFSDRSOHP-SECBINFHSA-N 1 2 326.278 3.254 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(CC(=O)Nc2c(C)cc(C)[nH+]c2C)c1F ZINC000414778272 309100377 /nfs/dbraw/zinc/10/03/77/309100377.db2.gz FFHBDVGVPSYHIM-UHFFFAOYSA-N 1 2 347.346 3.244 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000301725080 308712765 /nfs/dbraw/zinc/71/27/65/308712765.db2.gz UKYQLQZWXADOJD-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO COc1cc(Sc2[nH+]cc3ccccn32)c([N+](=O)[O-])cc1OC ZINC000301861021 308718762 /nfs/dbraw/zinc/71/87/62/308718762.db2.gz AAOPLBXBEHKGEX-UHFFFAOYSA-N 1 2 331.353 3.411 20 5 EGBDLO Cc1cc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000422218312 309358229 /nfs/dbraw/zinc/35/82/29/309358229.db2.gz XQWFYLYYPDTGEE-UHFFFAOYSA-N 1 2 342.399 3.341 20 5 EGBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2ccc3c(c2)CC[NH2+]3)n1 ZINC000423207576 309390501 /nfs/dbraw/zinc/39/05/01/309390501.db2.gz CYPAEZQVBUULHS-HZPDHXFCSA-N 1 2 327.388 3.355 20 5 EGBDLO C[C@H]1CCCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447807066 309989190 /nfs/dbraw/zinc/98/91/90/309989190.db2.gz PATXWUXTEZQXDM-HNNXBMFYSA-N 1 2 333.432 3.053 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](CC2CC2)C1 ZINC000452162195 310215566 /nfs/dbraw/zinc/21/55/66/310215566.db2.gz LIGJPGYKCVICLV-CQSZACIVSA-N 1 2 340.383 3.043 20 5 EGBDLO C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000452330335 310223525 /nfs/dbraw/zinc/22/35/25/310223525.db2.gz AFHLLVLACJEQHT-JTQLQIEISA-N 1 2 332.335 3.009 20 5 EGBDLO CC(C)(C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000452331848 310223644 /nfs/dbraw/zinc/22/36/44/310223644.db2.gz FODUTISWVJCYEW-UHFFFAOYSA-N 1 2 328.372 3.044 20 5 EGBDLO COc1cc(C[N@@H+]2CCOc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000489232880 311096582 /nfs/dbraw/zinc/09/65/82/311096582.db2.gz GCIKNMHQBOFQNX-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO COc1cc(C[N@H+]2CCOc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000489232880 311096584 /nfs/dbraw/zinc/09/65/84/311096584.db2.gz GCIKNMHQBOFQNX-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000492343944 311239989 /nfs/dbraw/zinc/23/99/89/311239989.db2.gz WXYHOGHXPPQFIA-HJWRWDBZSA-N 1 2 348.362 3.315 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000493360884 311365311 /nfs/dbraw/zinc/36/53/11/311365311.db2.gz KFGKQDZDZMOBQR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000493360884 311365313 /nfs/dbraw/zinc/36/53/13/311365313.db2.gz KFGKQDZDZMOBQR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493360884 311365317 /nfs/dbraw/zinc/36/53/17/311365317.db2.gz KFGKQDZDZMOBQR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493360884 311365319 /nfs/dbraw/zinc/36/53/19/311365319.db2.gz KFGKQDZDZMOBQR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493360884 311365322 /nfs/dbraw/zinc/36/53/22/311365322.db2.gz KFGKQDZDZMOBQR-LLVKDONJSA-N 1 2 335.795 3.054 20 5 EGBDLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505577675 312026733 /nfs/dbraw/zinc/02/67/33/312026733.db2.gz ZYDQZOWMZSOMAZ-UHFFFAOYSA-N 1 2 332.331 3.485 20 5 EGBDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505577675 312026735 /nfs/dbraw/zinc/02/67/35/312026735.db2.gz ZYDQZOWMZSOMAZ-UHFFFAOYSA-N 1 2 332.331 3.485 20 5 EGBDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346003 453797749 /nfs/dbraw/zinc/79/77/49/453797749.db2.gz HEONZBAUSOFOKU-AWEZNQCLSA-N 1 2 339.395 3.004 20 5 EGBDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346003 453797750 /nfs/dbraw/zinc/79/77/50/453797750.db2.gz HEONZBAUSOFOKU-AWEZNQCLSA-N 1 2 339.395 3.004 20 5 EGBDLO CN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032477689 453875161 /nfs/dbraw/zinc/87/51/61/453875161.db2.gz JOFWDJHCVXXPGH-UHFFFAOYSA-N 1 2 336.351 3.053 20 5 EGBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000066866581 453881843 /nfs/dbraw/zinc/88/18/43/453881843.db2.gz SXNVDGBOJMXRNE-OAHLLOKOSA-N 1 2 345.443 3.380 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000076119534 453966650 /nfs/dbraw/zinc/96/66/50/453966650.db2.gz NQVQXWQJQKVZCH-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000076119534 453966653 /nfs/dbraw/zinc/96/66/53/453966653.db2.gz NQVQXWQJQKVZCH-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c(F)c1 ZINC000042097921 453993347 /nfs/dbraw/zinc/99/33/47/453993347.db2.gz YQGLFLMHGFUQLJ-GOSISDBHSA-N 1 2 345.374 3.219 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)n2)c1 ZINC000077171079 454070176 /nfs/dbraw/zinc/07/01/76/454070176.db2.gz OOZRVFHHUDDSPR-HNNXBMFYSA-N 1 2 339.355 3.310 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)n2)c1 ZINC000077171079 454070177 /nfs/dbraw/zinc/07/01/77/454070177.db2.gz OOZRVFHHUDDSPR-HNNXBMFYSA-N 1 2 339.355 3.310 20 5 EGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000087223369 454071167 /nfs/dbraw/zinc/07/11/67/454071167.db2.gz LQBJJNQVHHBRJT-HNNXBMFYSA-N 1 2 328.372 3.004 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088329265 454098853 /nfs/dbraw/zinc/09/88/53/454098853.db2.gz AINZCRSNXTZKPH-CYBMUJFWSA-N 1 2 345.359 3.086 20 5 EGBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000120106213 454259168 /nfs/dbraw/zinc/25/91/68/454259168.db2.gz CZDPOGLIIKPMGT-UHFFFAOYSA-N 1 2 334.763 3.360 20 5 EGBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000120106213 454259173 /nfs/dbraw/zinc/25/91/73/454259173.db2.gz CZDPOGLIIKPMGT-UHFFFAOYSA-N 1 2 334.763 3.360 20 5 EGBDLO CCc1cc(NC[C@](C)(O)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060374232 454283517 /nfs/dbraw/zinc/28/35/17/454283517.db2.gz YLJPTMBWXCULNR-QGZVFWFLSA-N 1 2 330.388 3.187 20 5 EGBDLO Cc1c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000047248458 454345798 /nfs/dbraw/zinc/34/57/98/454345798.db2.gz YORBSDCHDWWWRP-UHFFFAOYSA-N 1 2 336.351 3.400 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4cccs4)CC3)nc2c1 ZINC000121342309 454424347 /nfs/dbraw/zinc/42/43/47/454424347.db2.gz HIOWWKTZBMECNM-UHFFFAOYSA-N 1 2 344.396 3.120 20 5 EGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134148461 454508236 /nfs/dbraw/zinc/50/82/36/454508236.db2.gz MNEYBNPTZGQUQT-UGSOOPFHSA-N 1 2 337.383 3.427 20 5 EGBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000161699665 454715839 /nfs/dbraw/zinc/71/58/39/454715839.db2.gz VANNDSYJZNRMBS-UHFFFAOYSA-N 1 2 344.415 3.251 20 5 EGBDLO CCc1cc(NC[C@@H](C)COC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000140425434 454820611 /nfs/dbraw/zinc/82/06/11/454820611.db2.gz LZQUTQFHCPZIAL-GFCCVEGCSA-N 1 2 330.388 3.309 20 5 EGBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127517481 454973676 /nfs/dbraw/zinc/97/36/76/454973676.db2.gz OGLKJKAQRBABAP-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127517481 454973679 /nfs/dbraw/zinc/97/36/79/454973679.db2.gz OGLKJKAQRBABAP-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128027777 455019361 /nfs/dbraw/zinc/01/93/61/455019361.db2.gz OOGLWTYFHNKEQY-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128027777 455019362 /nfs/dbraw/zinc/01/93/62/455019362.db2.gz OOGLWTYFHNKEQY-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cccc(F)c1 ZINC000130005949 455137977 /nfs/dbraw/zinc/13/79/77/455137977.db2.gz BNVSMIZDNARWBX-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1cccc(F)c1 ZINC000130005949 455137980 /nfs/dbraw/zinc/13/79/80/455137980.db2.gz BNVSMIZDNARWBX-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000172652135 455168546 /nfs/dbraw/zinc/16/85/46/455168546.db2.gz CTSRXVFMSIXRAI-CHWSQXEVSA-N 1 2 328.372 3.041 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181549938 455353045 /nfs/dbraw/zinc/35/30/45/455353045.db2.gz OUMSZGDWPJJXLN-SFHVURJKSA-N 1 2 342.395 3.047 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181549938 455353049 /nfs/dbraw/zinc/35/30/49/455353049.db2.gz OUMSZGDWPJJXLN-SFHVURJKSA-N 1 2 342.395 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c(Cl)c1 ZINC000182349911 455494546 /nfs/dbraw/zinc/49/45/46/455494546.db2.gz RUXJSQGLJODIGX-KRWDZBQOSA-N 1 2 332.787 3.340 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c(Cl)c1 ZINC000182349911 455494548 /nfs/dbraw/zinc/49/45/48/455494548.db2.gz RUXJSQGLJODIGX-KRWDZBQOSA-N 1 2 332.787 3.340 20 5 EGBDLO Cc1cc(CN2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)on1 ZINC000182587334 455547196 /nfs/dbraw/zinc/54/71/96/455547196.db2.gz VCODPRHKQFCSLH-OAHLLOKOSA-N 1 2 344.415 3.078 20 5 EGBDLO Cc1cc(C[NH+]2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)on1 ZINC000182587334 455547198 /nfs/dbraw/zinc/54/71/98/455547198.db2.gz VCODPRHKQFCSLH-OAHLLOKOSA-N 1 2 344.415 3.078 20 5 EGBDLO Cc1cc(CN2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182597849 455549814 /nfs/dbraw/zinc/54/98/14/455549814.db2.gz QGWXODPRNHGFFB-OAHLLOKOSA-N 1 2 344.415 3.078 20 5 EGBDLO COc1cccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1[N+](=O)[O-] ZINC000192473312 455626335 /nfs/dbraw/zinc/62/63/35/455626335.db2.gz XQAMGCSPBDOSCV-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000292416773 455656157 /nfs/dbraw/zinc/65/61/57/455656157.db2.gz UZUUSSSFDBFBHW-OKILXGFUSA-N 1 2 333.432 3.062 20 5 EGBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000292416773 455656163 /nfs/dbraw/zinc/65/61/63/455656163.db2.gz UZUUSSSFDBFBHW-OKILXGFUSA-N 1 2 333.432 3.062 20 5 EGBDLO CN(CC1CCCCC1)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174767 455811657 /nfs/dbraw/zinc/81/16/57/455811657.db2.gz MRABASYSTCXQFY-UHFFFAOYSA-N 1 2 333.432 3.065 20 5 EGBDLO CN(CC1CCCCC1)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174767 455811666 /nfs/dbraw/zinc/81/16/66/455811666.db2.gz MRABASYSTCXQFY-UHFFFAOYSA-N 1 2 333.432 3.065 20 5 EGBDLO C[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000285579799 455874712 /nfs/dbraw/zinc/87/47/12/455874712.db2.gz KEELKQUAHXQGBT-MEDUHNTESA-N 1 2 336.342 3.153 20 5 EGBDLO CC1=C(Br)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280526074 455989363 /nfs/dbraw/zinc/98/93/63/455989363.db2.gz CQNYYZKETSVANG-CQSZACIVSA-N 1 2 341.205 3.003 20 5 EGBDLO CC1=C(Br)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280526074 455989364 /nfs/dbraw/zinc/98/93/64/455989364.db2.gz CQNYYZKETSVANG-CQSZACIVSA-N 1 2 341.205 3.003 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])c(NCCc2cc[nH+]cc2C)cc1Cl ZINC000301806637 456219318 /nfs/dbraw/zinc/21/93/18/456219318.db2.gz AHBJFGFUXAYZJN-UHFFFAOYSA-N 1 2 349.774 3.393 20 5 EGBDLO COc1cc(C[N@@H+]2CCCc3occc3C2)c([N+](=O)[O-])cc1OC ZINC000290112805 456243965 /nfs/dbraw/zinc/24/39/65/456243965.db2.gz IJLPFMMFKYBRJE-UHFFFAOYSA-N 1 2 332.356 3.153 20 5 EGBDLO COc1cc(C[N@H+]2CCCc3occc3C2)c([N+](=O)[O-])cc1OC ZINC000290112805 456243968 /nfs/dbraw/zinc/24/39/68/456243968.db2.gz IJLPFMMFKYBRJE-UHFFFAOYSA-N 1 2 332.356 3.153 20 5 EGBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000343157101 456440695 /nfs/dbraw/zinc/44/06/95/456440695.db2.gz IMFYCDJKBFPLPY-AWEZNQCLSA-N 1 2 330.391 3.403 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348238247 456559593 /nfs/dbraw/zinc/55/95/93/456559593.db2.gz YCSZOPWAHGJDGQ-SCLBCKFNSA-N 1 2 334.416 3.381 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348238247 456559598 /nfs/dbraw/zinc/55/95/98/456559598.db2.gz YCSZOPWAHGJDGQ-SCLBCKFNSA-N 1 2 334.416 3.381 20 5 EGBDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000348263177 456580016 /nfs/dbraw/zinc/58/00/16/456580016.db2.gz UHBXAWNXUKBOCO-IPYPFGDCSA-N 1 2 342.399 3.335 20 5 EGBDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282646007 456580204 /nfs/dbraw/zinc/58/02/04/456580204.db2.gz CAVQYKLUYQZYEY-QHCPKHFHSA-N 1 2 336.388 3.103 20 5 EGBDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282646007 456580211 /nfs/dbraw/zinc/58/02/11/456580211.db2.gz CAVQYKLUYQZYEY-QHCPKHFHSA-N 1 2 336.388 3.103 20 5 EGBDLO Cc1cc(N(C)Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301125710 456802139 /nfs/dbraw/zinc/80/21/39/456802139.db2.gz SXPNLHXMBBQCHO-UHFFFAOYSA-N 1 2 335.367 3.392 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000353613096 456803463 /nfs/dbraw/zinc/80/34/63/456803463.db2.gz MCFWGEQDLZEWCQ-MRXNPFEDSA-N 1 2 345.424 3.461 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000353613096 456803467 /nfs/dbraw/zinc/80/34/67/456803467.db2.gz MCFWGEQDLZEWCQ-MRXNPFEDSA-N 1 2 345.424 3.461 20 5 EGBDLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@]1=O ZINC000277451745 456830196 /nfs/dbraw/zinc/83/01/96/456830196.db2.gz JXOHAOVUZOFMJA-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@]1=O ZINC000277451745 456830203 /nfs/dbraw/zinc/83/02/03/456830203.db2.gz JXOHAOVUZOFMJA-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353669289 456844143 /nfs/dbraw/zinc/84/41/43/456844143.db2.gz IGVMGKSELSKZTD-GWCFXTLKSA-N 1 2 342.321 3.206 20 5 EGBDLO CC[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000353869816 456943222 /nfs/dbraw/zinc/94/32/22/456943222.db2.gz LAFKLAQCGDYRII-ZFWWWQNUSA-N 1 2 342.399 3.479 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000341884130 456985604 /nfs/dbraw/zinc/98/56/04/456985604.db2.gz ABCDYBBCMYRPSS-UHFFFAOYSA-N 1 2 348.428 3.101 20 5 EGBDLO Cc1oc2nc(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])nc(N)c2c1C ZINC000342278209 457207215 /nfs/dbraw/zinc/20/72/15/457207215.db2.gz ILOQCNVMONSHOA-JTQLQIEISA-N 1 2 341.371 3.181 20 5 EGBDLO CNc1c(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000360946011 457452828 /nfs/dbraw/zinc/45/28/28/457452828.db2.gz SZRBSMWDHADVRP-UHFFFAOYSA-N 1 2 325.328 3.074 20 5 EGBDLO CNc1c(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000360946011 457452832 /nfs/dbraw/zinc/45/28/32/457452832.db2.gz SZRBSMWDHADVRP-UHFFFAOYSA-N 1 2 325.328 3.074 20 5 EGBDLO Cc1ccc(Cc2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)c[nH+]1 ZINC000356131723 457474518 /nfs/dbraw/zinc/47/45/18/457474518.db2.gz GPRUTRHDPVUFAD-UHFFFAOYSA-N 1 2 335.323 3.420 20 5 EGBDLO Cc1ccc(Cc2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c[nH+]1 ZINC000357396699 457493948 /nfs/dbraw/zinc/49/39/48/457493948.db2.gz AARMFEYHBWFNFT-UHFFFAOYSA-N 1 2 349.350 3.344 20 5 EGBDLO CCOc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352675447 457521496 /nfs/dbraw/zinc/52/14/96/457521496.db2.gz GNKFMKMDRCOQHM-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO CCOc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352675447 457521504 /nfs/dbraw/zinc/52/15/04/457521504.db2.gz GNKFMKMDRCOQHM-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC000358043975 457749497 /nfs/dbraw/zinc/74/94/97/457749497.db2.gz DVKYVYFZFNJDPY-AWEZNQCLSA-N 1 2 342.399 3.431 20 5 EGBDLO COc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000411918563 458010356 /nfs/dbraw/zinc/01/03/56/458010356.db2.gz DBJYHSRPASDBHA-GOEBONIOSA-N 1 2 346.358 3.050 20 5 EGBDLO COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000411918563 458010368 /nfs/dbraw/zinc/01/03/68/458010368.db2.gz DBJYHSRPASDBHA-GOEBONIOSA-N 1 2 346.358 3.050 20 5 EGBDLO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000358492944 458036380 /nfs/dbraw/zinc/03/63/80/458036380.db2.gz BRFIFDHLBFDRFM-HNNXBMFYSA-N 1 2 338.310 3.056 20 5 EGBDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000377937997 458577512 /nfs/dbraw/zinc/57/75/12/458577512.db2.gz ATNYNWVNZRWELC-GXTWGEPZSA-N 1 2 332.404 3.457 20 5 EGBDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000377937997 458577516 /nfs/dbraw/zinc/57/75/16/458577516.db2.gz ATNYNWVNZRWELC-GXTWGEPZSA-N 1 2 332.404 3.457 20 5 EGBDLO CCCN1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000471809995 458734065 /nfs/dbraw/zinc/73/40/65/458734065.db2.gz NJHITFPVLVBRNJ-UHFFFAOYSA-N 1 2 333.432 3.163 20 5 EGBDLO CCCN1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000471809995 458734070 /nfs/dbraw/zinc/73/40/70/458734070.db2.gz NJHITFPVLVBRNJ-UHFFFAOYSA-N 1 2 333.432 3.163 20 5 EGBDLO Cc1c[nH+]c(CCNc2ncnc3sc([N+](=O)[O-])cc32)c(C)c1 ZINC000594596224 459104031 /nfs/dbraw/zinc/10/40/31/459104031.db2.gz QKOAWVKDJMKMGU-UHFFFAOYSA-N 1 2 329.385 3.266 20 5 EGBDLO Cc1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c1[N+](=O)[O-] ZINC000595522362 459333241 /nfs/dbraw/zinc/33/32/41/459333241.db2.gz AQLLGDBNWVZLCV-KRWDZBQOSA-N 1 2 345.399 3.275 20 5 EGBDLO Cc1c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cccc1[N+](=O)[O-] ZINC000540851132 459392499 /nfs/dbraw/zinc/39/24/99/459392499.db2.gz TUFROVXMMGFIRC-UHFFFAOYSA-N 1 2 336.351 3.223 20 5 EGBDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000541718877 459484032 /nfs/dbraw/zinc/48/40/32/459484032.db2.gz SGPTZLJGPSAPOO-UHFFFAOYSA-N 1 2 338.404 3.157 20 5 EGBDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000541718877 459484038 /nfs/dbraw/zinc/48/40/38/459484038.db2.gz SGPTZLJGPSAPOO-UHFFFAOYSA-N 1 2 338.404 3.157 20 5 EGBDLO O=[N+]([O-])c1cccc(Br)c1NCCCCn1cc[nH+]c1 ZINC000596185802 459552704 /nfs/dbraw/zinc/55/27/04/459552704.db2.gz RFOZOZDWUXWWKG-UHFFFAOYSA-N 1 2 339.193 3.446 20 5 EGBDLO Cc1ncc2c(n1)CC[C@H](Nc1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000573085015 459623191 /nfs/dbraw/zinc/62/31/91/459623191.db2.gz VVZDBVOQEVFDAC-AWEZNQCLSA-N 1 2 335.367 3.211 20 5 EGBDLO O=C1CCCC12CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000596507892 459660844 /nfs/dbraw/zinc/66/08/44/459660844.db2.gz KHIXAQRJRGHXGW-UHFFFAOYSA-N 1 2 325.368 3.483 20 5 EGBDLO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1 ZINC000586767783 459867934 /nfs/dbraw/zinc/86/79/34/459867934.db2.gz WXZPQZCXQCPVGS-UHFFFAOYSA-N 1 2 349.337 3.380 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602653910 460044994 /nfs/dbraw/zinc/04/49/94/460044994.db2.gz FASHSQHPHUVBOL-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602653910 460045000 /nfs/dbraw/zinc/04/50/00/460045000.db2.gz FASHSQHPHUVBOL-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO CO[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1C ZINC000602683450 460063176 /nfs/dbraw/zinc/06/31/76/460063176.db2.gz AZBRCHKZIYVQAO-LDYMZIIASA-N 1 2 349.250 3.276 20 5 EGBDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H]1C ZINC000602683450 460063181 /nfs/dbraw/zinc/06/31/81/460063181.db2.gz AZBRCHKZIYVQAO-LDYMZIIASA-N 1 2 349.250 3.276 20 5 EGBDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602693402 460068345 /nfs/dbraw/zinc/06/83/45/460068345.db2.gz LZRYQEUSQMMEKO-DTWKUNHWSA-N 1 2 349.250 3.012 20 5 EGBDLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602693402 460068352 /nfs/dbraw/zinc/06/83/52/460068352.db2.gz LZRYQEUSQMMEKO-DTWKUNHWSA-N 1 2 349.250 3.012 20 5 EGBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)n1 ZINC000618683229 460125861 /nfs/dbraw/zinc/12/58/61/460125861.db2.gz JRYWVWUOPZGIKI-UHFFFAOYSA-N 1 2 341.293 3.047 20 5 EGBDLO Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611132852 460293790 /nfs/dbraw/zinc/29/37/90/460293790.db2.gz ZMMXSQBXYRFXFX-JSGCOSHPSA-N 1 2 342.399 3.009 20 5 EGBDLO Cc1c(Br)c(NC(C)(C)c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000603406163 460298901 /nfs/dbraw/zinc/29/89/01/460298901.db2.gz HPIOUNPEGLKEJM-UHFFFAOYSA-N 1 2 340.181 3.131 20 5 EGBDLO COC(=O)[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599667747 460303259 /nfs/dbraw/zinc/30/32/59/460303259.db2.gz GXLUJIWQNYSKPS-CQSZACIVSA-N 1 2 344.342 3.006 20 5 EGBDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000599667747 460303263 /nfs/dbraw/zinc/30/32/63/460303263.db2.gz GXLUJIWQNYSKPS-CQSZACIVSA-N 1 2 344.342 3.006 20 5 EGBDLO O=[N+]([O-])c1ccsc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000611411310 460359321 /nfs/dbraw/zinc/35/93/21/460359321.db2.gz BEYJDWRZWOVPNW-OAHLLOKOSA-N 1 2 333.413 3.142 20 5 EGBDLO CCC[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000611475581 460372804 /nfs/dbraw/zinc/37/28/04/460372804.db2.gz AOHNNNITFZNMGS-QGZVFWFLSA-N 1 2 344.415 3.372 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000601187908 460745213 /nfs/dbraw/zinc/74/52/13/460745213.db2.gz ZRIVPKCFQSMCAZ-UHFFFAOYSA-N 1 2 337.383 3.325 20 5 EGBDLO COc1cc(C[NH2+]C(C)(C)c2nccs2)c([N+](=O)[O-])cc1F ZINC000184260682 533868224 /nfs/dbraw/zinc/86/82/24/533868224.db2.gz WCMVELSUYLHOPX-UHFFFAOYSA-N 1 2 325.365 3.224 20 5 EGBDLO COC(=O)c1ccc(OCc2ccc3[nH]c(C)[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000358857176 547747060 /nfs/dbraw/zinc/74/70/60/547747060.db2.gz YQILPQJWAVLPJV-UHFFFAOYSA-N 1 2 341.323 3.145 20 5 EGBDLO COC(=O)c1ccc(OCc2ccc3[nH+]c(C)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000358857176 547747063 /nfs/dbraw/zinc/74/70/63/547747063.db2.gz YQILPQJWAVLPJV-UHFFFAOYSA-N 1 2 341.323 3.145 20 5 EGBDLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000729477582 574864841 /nfs/dbraw/zinc/86/48/41/574864841.db2.gz JTVLTEFDTOGNLF-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000729477582 574864842 /nfs/dbraw/zinc/86/48/42/574864842.db2.gz JTVLTEFDTOGNLF-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069070494 1292229601 /nfs/dbraw/zinc/22/96/01/1292229601.db2.gz OFUHKNGMVIKYMQ-SNVBAGLBSA-N 1 2 337.763 3.473 20 5 EGBDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069070494 1292229604 /nfs/dbraw/zinc/22/96/04/1292229604.db2.gz OFUHKNGMVIKYMQ-SNVBAGLBSA-N 1 2 337.763 3.473 20 5 EGBDLO O=C(OC[C@@H]1CCCCS1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835414125 1293285990 /nfs/dbraw/zinc/28/59/90/1293285990.db2.gz WIXHYTJTUCMSBT-ZDUSSCGKSA-N 1 2 347.396 3.223 20 5 EGBDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154219384 1294046296 /nfs/dbraw/zinc/04/62/96/1294046296.db2.gz HMJMSSGNLFQXJG-GFCCVEGCSA-N 1 2 347.802 3.297 20 5 EGBDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154219384 1294046304 /nfs/dbraw/zinc/04/63/04/1294046304.db2.gz HMJMSSGNLFQXJG-GFCCVEGCSA-N 1 2 347.802 3.297 20 5 EGBDLO Cc1cc(O)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000156490829 1294146192 /nfs/dbraw/zinc/14/61/92/1294146192.db2.gz CZWMYIMHPNTTTG-UHFFFAOYSA-N 1 2 338.323 3.047 20 5 EGBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)[nH]1 ZINC000872050565 1296701462 /nfs/dbraw/zinc/70/14/62/1296701462.db2.gz CDYAALLITHHFKK-UWVGGRQHSA-N 1 2 335.433 3.409 20 5 EGBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH+]c12 ZINC000747227991 1298746524 /nfs/dbraw/zinc/74/65/24/1298746524.db2.gz SMGDFPPATDKPST-UHFFFAOYSA-N 1 2 341.327 3.114 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761291430 1301436065 /nfs/dbraw/zinc/43/60/65/1301436065.db2.gz UGAZQCXDPBZTNO-UHFFFAOYSA-N 1 2 330.310 3.485 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761291430 1301436070 /nfs/dbraw/zinc/43/60/70/1301436070.db2.gz UGAZQCXDPBZTNO-UHFFFAOYSA-N 1 2 330.310 3.485 20 5 EGBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)C ZINC000761507018 1301488009 /nfs/dbraw/zinc/48/80/09/1301488009.db2.gz QVJFMZMQJUFAKZ-UHFFFAOYSA-N 1 2 328.796 3.269 20 5 EGBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)C ZINC000761507018 1301488012 /nfs/dbraw/zinc/48/80/12/1301488012.db2.gz QVJFMZMQJUFAKZ-UHFFFAOYSA-N 1 2 328.796 3.269 20 5 EGBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770018504 1303208548 /nfs/dbraw/zinc/20/85/48/1303208548.db2.gz YSZCKAAHODVWTR-UHFFFAOYSA-N 1 2 345.746 3.218 20 5 EGBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886017273 1303319394 /nfs/dbraw/zinc/31/93/94/1303319394.db2.gz WKLUEUCWMQGOCK-CQSZACIVSA-N 1 2 343.358 3.224 20 5 EGBDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886017273 1303319400 /nfs/dbraw/zinc/31/94/00/1303319400.db2.gz WKLUEUCWMQGOCK-CQSZACIVSA-N 1 2 343.358 3.224 20 5 EGBDLO O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000771489875 1303411628 /nfs/dbraw/zinc/41/16/28/1303411628.db2.gz URPLIPJUNJMBOI-UHFFFAOYSA-N 1 2 341.298 3.198 20 5 EGBDLO CC(C)[C@@H]1C[C@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774849868 1303867179 /nfs/dbraw/zinc/86/71/79/1303867179.db2.gz LMNJEPIMVXXURO-KBPBESRZSA-N 1 2 329.356 3.229 20 5 EGBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000776587144 1304176722 /nfs/dbraw/zinc/17/67/22/1304176722.db2.gz USYGSHBBRAQKPS-CSMYWGQOSA-N 1 2 348.424 3.152 20 5 EGBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000776587144 1304176725 /nfs/dbraw/zinc/17/67/25/1304176725.db2.gz USYGSHBBRAQKPS-CSMYWGQOSA-N 1 2 348.424 3.152 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000783565532 1305109039 /nfs/dbraw/zinc/10/90/39/1305109039.db2.gz BZGZSKOKRDVDDX-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000783565532 1305109044 /nfs/dbraw/zinc/10/90/44/1305109044.db2.gz BZGZSKOKRDVDDX-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000783783834 1305145444 /nfs/dbraw/zinc/14/54/44/1305145444.db2.gz DFJZVYCAKHNRAA-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000783783834 1305145447 /nfs/dbraw/zinc/14/54/47/1305145447.db2.gz DFJZVYCAKHNRAA-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO C[C@H]1C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)Cc2ccccc21 ZINC000794617323 1309556711 /nfs/dbraw/zinc/55/67/11/1309556711.db2.gz VJQXBXSQXAMDPG-LBPRGKRZSA-N 1 2 339.351 3.080 20 5 EGBDLO C[C@H]1C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)Cc2ccccc21 ZINC000794617323 1309556717 /nfs/dbraw/zinc/55/67/17/1309556717.db2.gz VJQXBXSQXAMDPG-LBPRGKRZSA-N 1 2 339.351 3.080 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@@H]1c1ccccc1 ZINC000794635160 1309562048 /nfs/dbraw/zinc/56/20/48/1309562048.db2.gz CUBZBCLLNUWFKE-WBMJQRKESA-N 1 2 339.351 3.153 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@@H]1c1ccccc1 ZINC000794635160 1309562053 /nfs/dbraw/zinc/56/20/53/1309562053.db2.gz CUBZBCLLNUWFKE-WBMJQRKESA-N 1 2 339.351 3.153 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1F ZINC000801517363 1310950987 /nfs/dbraw/zinc/95/09/87/1310950987.db2.gz DLSUHZJVSJCVGH-LLVKDONJSA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1F ZINC000801517363 1310950992 /nfs/dbraw/zinc/95/09/92/1310950992.db2.gz DLSUHZJVSJCVGH-LLVKDONJSA-N 1 2 336.285 3.277 20 5 EGBDLO Cc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cc1 ZINC000801539762 1310961474 /nfs/dbraw/zinc/96/14/74/1310961474.db2.gz PKWNQJPLODCBKA-UHFFFAOYSA-N 1 2 329.375 3.365 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(CCO)CC1 ZINC000809943680 1317922043 /nfs/dbraw/zinc/92/20/43/1317922043.db2.gz BFNBQLOVPIJQQL-UHFFFAOYSA-N 1 2 333.215 3.496 20 5 EGBDLO Cc1nn(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000811776127 1318261509 /nfs/dbraw/zinc/26/15/09/1318261509.db2.gz AMBVJQNZGOKANA-IRXDYDNUSA-N 1 2 344.415 3.100 20 5 EGBDLO Cc1nn(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000811776127 1318261516 /nfs/dbraw/zinc/26/15/16/1318261516.db2.gz AMBVJQNZGOKANA-IRXDYDNUSA-N 1 2 344.415 3.100 20 5 EGBDLO Cc1cc(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000817458098 1319366988 /nfs/dbraw/zinc/36/69/88/1319366988.db2.gz BREVVGJGUYBDTR-UHFFFAOYSA-N 1 2 333.775 3.498 20 5 EGBDLO COCC(C)(C)[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930553623 1328894503 /nfs/dbraw/zinc/89/45/03/1328894503.db2.gz BBGXOCMJASVCAB-UHFFFAOYSA-N 1 2 331.210 3.214 20 5 EGBDLO COCC(C)(C)[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930553623 1328894506 /nfs/dbraw/zinc/89/45/06/1328894506.db2.gz BBGXOCMJASVCAB-UHFFFAOYSA-N 1 2 331.210 3.214 20 5 EGBDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839675049 1320958561 /nfs/dbraw/zinc/95/85/61/1320958561.db2.gz OAVQHTJQMVPGSC-VHSXEESVSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839675049 1320958563 /nfs/dbraw/zinc/95/85/63/1320958563.db2.gz OAVQHTJQMVPGSC-VHSXEESVSA-N 1 2 333.215 3.494 20 5 EGBDLO CSCC(C)(C)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000851169613 1322343287 /nfs/dbraw/zinc/34/32/87/1322343287.db2.gz FWBKDFZFVDMGBO-UHFFFAOYSA-N 1 2 349.412 3.327 20 5 EGBDLO Cc1noc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000851797241 1323090471 /nfs/dbraw/zinc/09/04/71/1323090471.db2.gz IWOQVCBUGLWKED-AWEZNQCLSA-N 1 2 344.415 3.219 20 5 EGBDLO Cc1noc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000851797241 1323090480 /nfs/dbraw/zinc/09/04/80/1323090480.db2.gz IWOQVCBUGLWKED-AWEZNQCLSA-N 1 2 344.415 3.219 20 5 EGBDLO Nc1ccc(CCC(=O)Nc2cc3cccnc3c3ncccc23)c[nH+]1 ZINC001183934543 1387372871 /nfs/dbraw/zinc/37/28/71/1387372871.db2.gz KCOUFHUMHXANOK-UHFFFAOYSA-N 1 2 343.390 3.332 20 5 EGBDLO O=[N+]([O-])c1cc(Nc2cc(Br)c3[nH+]ccn3c2)ccc1O ZINC001210394553 1372341735 /nfs/dbraw/zinc/34/17/35/1372341735.db2.gz YIWSRZPHHBJTRX-UHFFFAOYSA-N 1 2 349.144 3.454 20 5 EGBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001228971387 1375726987 /nfs/dbraw/zinc/72/69/87/1375726987.db2.gz OPQAIZXQDNWWIK-OAHLLOKOSA-N 1 2 344.367 3.049 20 5 EGBDLO O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001228971387 1375726994 /nfs/dbraw/zinc/72/69/94/1375726994.db2.gz OPQAIZXQDNWWIK-OAHLLOKOSA-N 1 2 344.367 3.049 20 5 EGBDLO O=[N+]([O-])c1cccc2ccc(NCCc3cn4ccccc4[nH+]3)nc21 ZINC001158145911 1381140441 /nfs/dbraw/zinc/14/04/41/1381140441.db2.gz RAVXTCVIIVJPTQ-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCO[C@@H](C(C)C)C2)c1F ZINC001173191386 1384934291 /nfs/dbraw/zinc/93/42/91/1384934291.db2.gz DEBDVBJWVZCDHW-MLGOLLRUSA-N 1 2 340.395 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCO[C@@H](C(C)C)C2)c1F ZINC001173191386 1384934293 /nfs/dbraw/zinc/93/42/93/1384934293.db2.gz DEBDVBJWVZCDHW-MLGOLLRUSA-N 1 2 340.395 3.030 20 5 EGBDLO Cc1nc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000174248587 231159822 /nfs/dbraw/zinc/15/98/22/231159822.db2.gz POHKMSTWOZTXEL-UHFFFAOYSA-N 1 2 333.413 3.403 20 5 EGBDLO Cc1ncsc1C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000066562661 215054447 /nfs/dbraw/zinc/05/44/47/215054447.db2.gz ISHYKQKOFRTDJB-UHFFFAOYSA-N 1 2 345.384 3.042 20 5 EGBDLO Cc1ncsc1C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000066562661 215054450 /nfs/dbraw/zinc/05/44/50/215054450.db2.gz ISHYKQKOFRTDJB-UHFFFAOYSA-N 1 2 345.384 3.042 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCOC4(CCC4)C3)cs2)c1 ZINC000093639943 218237185 /nfs/dbraw/zinc/23/71/85/218237185.db2.gz LGHJKMGWYGRREX-UHFFFAOYSA-N 1 2 345.424 3.473 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCOC4(CCC4)C3)cs2)c1 ZINC000093639943 218237187 /nfs/dbraw/zinc/23/71/87/218237187.db2.gz LGHJKMGWYGRREX-UHFFFAOYSA-N 1 2 345.424 3.473 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000009314164 211065269 /nfs/dbraw/zinc/06/52/69/211065269.db2.gz JJIOLCNGZASJDJ-CQSZACIVSA-N 1 2 327.319 3.064 20 5 EGBDLO COc1cc(CNc2[nH+]ccn2-c2ccccc2)cc([N+](=O)[O-])c1O ZINC000351569643 144280996 /nfs/dbraw/zinc/28/09/96/144280996.db2.gz SPXHEXAKGWBYTP-UHFFFAOYSA-N 1 2 340.339 3.107 20 5 EGBDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000116895779 152078826 /nfs/dbraw/zinc/07/88/26/152078826.db2.gz PZCDCNTZFKTGSW-KRWDZBQOSA-N 1 2 346.383 3.339 20 5 EGBDLO Cc1ccc([C@@H]2COCC[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000116895779 152078833 /nfs/dbraw/zinc/07/88/33/152078833.db2.gz PZCDCNTZFKTGSW-KRWDZBQOSA-N 1 2 346.383 3.339 20 5 EGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000345425318 156097956 /nfs/dbraw/zinc/09/79/56/156097956.db2.gz OGQXPGKPOXVGBB-CYBMUJFWSA-N 1 2 342.399 3.289 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c2c(c1)COCO2 ZINC000347018873 156251316 /nfs/dbraw/zinc/25/13/16/156251316.db2.gz ZEDTXCLVCXDXDT-KRWDZBQOSA-N 1 2 341.367 3.193 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2cccnc2)c2c(c1)COCO2 ZINC000347018873 156251320 /nfs/dbraw/zinc/25/13/20/156251320.db2.gz ZEDTXCLVCXDXDT-KRWDZBQOSA-N 1 2 341.367 3.193 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2csc(-c3ccccn3)n2)cc1 ZINC000126057131 162292486 /nfs/dbraw/zinc/29/24/86/162292486.db2.gz FIKNNQHCPXGJNH-UHFFFAOYSA-N 1 2 326.381 3.403 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000126146825 162295586 /nfs/dbraw/zinc/29/55/86/162295586.db2.gz VWOLPULDCVNLNP-WFASDCNBSA-N 1 2 329.404 3.495 20 5 EGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000126664899 162308522 /nfs/dbraw/zinc/30/85/22/162308522.db2.gz PWGZRXDCEQJPHS-IBGZPJMESA-N 1 2 337.379 3.168 20 5 EGBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000126664899 162308525 /nfs/dbraw/zinc/30/85/25/162308525.db2.gz PWGZRXDCEQJPHS-IBGZPJMESA-N 1 2 337.379 3.168 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cn3cc(Cl)ccc3[nH+]1)CC2 ZINC000131296764 162397717 /nfs/dbraw/zinc/39/77/17/162397717.db2.gz UYBUOZLFLUNGMQ-UHFFFAOYSA-N 1 2 342.786 3.454 20 5 EGBDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000248754496 163033291 /nfs/dbraw/zinc/03/32/91/163033291.db2.gz IOFFIUWXTWYEGZ-IJEWVQPXSA-N 1 2 333.432 3.110 20 5 EGBDLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000248754496 163033294 /nfs/dbraw/zinc/03/32/94/163033294.db2.gz IOFFIUWXTWYEGZ-IJEWVQPXSA-N 1 2 333.432 3.110 20 5 EGBDLO O=C(c1ccccc1)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338890680 163376555 /nfs/dbraw/zinc/37/65/55/163376555.db2.gz UUHKDSVJBJUARR-UHFFFAOYSA-N 1 2 340.379 3.395 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000352346825 165357055 /nfs/dbraw/zinc/35/70/55/165357055.db2.gz KSNFJSRDIQQHLV-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000352346825 165357057 /nfs/dbraw/zinc/35/70/57/165357057.db2.gz KSNFJSRDIQQHLV-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO CC(=O)c1ccc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000366755314 168135603 /nfs/dbraw/zinc/13/56/03/168135603.db2.gz AEWKYZKFDHYCIL-KRWDZBQOSA-N 1 2 325.368 3.396 20 5 EGBDLO CC(=O)c1ccc(N[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000366755314 168135604 /nfs/dbraw/zinc/13/56/04/168135604.db2.gz AEWKYZKFDHYCIL-KRWDZBQOSA-N 1 2 325.368 3.396 20 5 EGBDLO Cc1cnc(NCc2[nH+]ccn2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000176783298 265204890 /nfs/dbraw/zinc/20/48/90/265204890.db2.gz GCZGOPDQXJDKTO-UHFFFAOYSA-N 1 2 337.383 3.350 20 5 EGBDLO O=C(NCC1(C2CC2)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178655066 265333528 /nfs/dbraw/zinc/33/35/28/265333528.db2.gz ZRQQRPHACUDKNH-UHFFFAOYSA-N 1 2 340.383 3.091 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000271641573 266699306 /nfs/dbraw/zinc/69/93/06/266699306.db2.gz ZYOZGBUVZRWGNX-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000271641573 266699308 /nfs/dbraw/zinc/69/93/08/266699308.db2.gz ZYOZGBUVZRWGNX-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1NCc1cc[nH+]c(N3CCCC3)c1)CCN2 ZINC000278497559 268026313 /nfs/dbraw/zinc/02/63/13/268026313.db2.gz WYIPCJCEUREJII-UHFFFAOYSA-N 1 2 339.399 3.170 20 5 EGBDLO Cc1cc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)on1 ZINC000194911852 275229965 /nfs/dbraw/zinc/22/99/65/275229965.db2.gz PSDQXCSMQRRIDF-UHFFFAOYSA-N 1 2 325.328 3.269 20 5 EGBDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000278748203 275271311 /nfs/dbraw/zinc/27/13/11/275271311.db2.gz RXYTZVWZUIBNJD-MFKMUULPSA-N 1 2 326.356 3.477 20 5 EGBDLO CCC(=O)c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000280655897 275478151 /nfs/dbraw/zinc/47/81/51/275478151.db2.gz GCJQEXJKQJBAFZ-CQSZACIVSA-N 1 2 340.383 3.273 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281630630 275564194 /nfs/dbraw/zinc/56/41/94/275564194.db2.gz IFFLHIVFCHOIRS-QGZVFWFLSA-N 1 2 348.786 3.008 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000281865090 275583699 /nfs/dbraw/zinc/58/36/99/275583699.db2.gz RCCSLQUQDDBFPF-LBPRGKRZSA-N 1 2 334.401 3.240 20 5 EGBDLO C[NH+](C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000287236399 276099522 /nfs/dbraw/zinc/09/95/22/276099522.db2.gz JNOUXMQJXCQXHF-OAHLLOKOSA-N 1 2 336.342 3.170 20 5 EGBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287305780 276106027 /nfs/dbraw/zinc/10/60/27/276106027.db2.gz JEVNLEHCRPDIHJ-CQSZACIVSA-N 1 2 348.786 3.004 20 5 EGBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287305780 276106030 /nfs/dbraw/zinc/10/60/30/276106030.db2.gz JEVNLEHCRPDIHJ-CQSZACIVSA-N 1 2 348.786 3.004 20 5 EGBDLO C[N@H+](Cc1cnc(Br)s1)Cc1ccccc1[N+](=O)[O-] ZINC000289457253 276341784 /nfs/dbraw/zinc/34/17/84/276341784.db2.gz XWKPQZBXZBLSFX-UHFFFAOYSA-N 1 2 342.218 3.446 20 5 EGBDLO C[N@@H+](Cc1cnc(Br)s1)Cc1ccccc1[N+](=O)[O-] ZINC000289457253 276341785 /nfs/dbraw/zinc/34/17/85/276341785.db2.gz XWKPQZBXZBLSFX-UHFFFAOYSA-N 1 2 342.218 3.446 20 5 EGBDLO Cc1nc(C[N@@H+]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)cs1 ZINC000268056735 279083095 /nfs/dbraw/zinc/08/30/95/279083095.db2.gz WEUZGTSJVAFSHY-UHFFFAOYSA-N 1 2 346.456 3.380 20 5 EGBDLO Cc1nc(C[N@H+]2CCCN(c3cc(C)ccc3[N+](=O)[O-])CC2)cs1 ZINC000268056735 279083096 /nfs/dbraw/zinc/08/30/96/279083096.db2.gz WEUZGTSJVAFSHY-UHFFFAOYSA-N 1 2 346.456 3.380 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361613376 297029141 /nfs/dbraw/zinc/02/91/41/297029141.db2.gz XONDVQNNBPVGKG-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361613376 297029143 /nfs/dbraw/zinc/02/91/43/297029143.db2.gz XONDVQNNBPVGKG-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO Cc1cccc2[nH+]c(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)cn21 ZINC000069254132 307374670 /nfs/dbraw/zinc/37/46/70/307374670.db2.gz DQYBSXGJLHMDSQ-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120144874 307503812 /nfs/dbraw/zinc/50/38/12/307503812.db2.gz NDMWEEDHUBSXJM-HZRUHFOJSA-N 1 2 344.346 3.224 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccn(C)n1 ZINC000414142369 309063095 /nfs/dbraw/zinc/06/30/95/309063095.db2.gz KLNSPJAACLTDMB-SECBINFHSA-N 1 2 328.294 3.198 20 5 EGBDLO CC(C)[C@@]1(CO)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000293218814 308110266 /nfs/dbraw/zinc/11/02/66/308110266.db2.gz XVEVALRGUXRWHM-INIZCTEOSA-N 1 2 328.359 3.104 20 5 EGBDLO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000293218814 308110268 /nfs/dbraw/zinc/11/02/68/308110268.db2.gz XVEVALRGUXRWHM-INIZCTEOSA-N 1 2 328.359 3.104 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413024292 309012173 /nfs/dbraw/zinc/01/21/73/309012173.db2.gz COMMJDCHUNKWNE-UHFFFAOYSA-N 1 2 329.335 3.289 20 5 EGBDLO CCO[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@]12CCCO2 ZINC000413234612 309022931 /nfs/dbraw/zinc/02/29/31/309022931.db2.gz PDOMQGWLMYZFLI-LZLYRXPVSA-N 1 2 343.383 3.282 20 5 EGBDLO CC(C)[C@@]1(CO)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413289948 309025457 /nfs/dbraw/zinc/02/54/57/309025457.db2.gz BDEDEXYUHCUGRT-SFHVURJKSA-N 1 2 329.400 3.378 20 5 EGBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)[nH+]c1 ZINC000413347832 309028134 /nfs/dbraw/zinc/02/81/34/309028134.db2.gz LZUKIRCAHPTMGS-UHFFFAOYSA-N 1 2 326.278 3.367 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000444683437 309925577 /nfs/dbraw/zinc/92/55/77/309925577.db2.gz GOVZDBPQXNWYAD-SECBINFHSA-N 1 2 331.401 3.341 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3coc(-c4ccccc4)n3)nc2c1 ZINC000446843722 309969253 /nfs/dbraw/zinc/96/92/53/309969253.db2.gz PFOBAIRTWWKIGT-UHFFFAOYSA-N 1 2 349.350 3.416 20 5 EGBDLO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448818881 310019407 /nfs/dbraw/zinc/01/94/07/310019407.db2.gz QFVKXNBAMNFZRZ-ZDUSSCGKSA-N 1 2 328.372 3.043 20 5 EGBDLO C[C@@H](CCC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450685316 310137129 /nfs/dbraw/zinc/13/71/29/310137129.db2.gz BAPLEZGLRFXUEH-LBPRGKRZSA-N 1 2 328.372 3.089 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000450833760 310144850 /nfs/dbraw/zinc/14/48/50/310144850.db2.gz TXJGWPZHTFADDQ-MRVPVSSYSA-N 1 2 340.181 3.142 20 5 EGBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000453600653 310283624 /nfs/dbraw/zinc/28/36/24/310283624.db2.gz RRHQBTCQQLUHNT-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000453600653 310283625 /nfs/dbraw/zinc/28/36/25/310283625.db2.gz RRHQBTCQQLUHNT-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000454607703 310319758 /nfs/dbraw/zinc/31/97/58/310319758.db2.gz KOKSAYKCPYOCDN-OLZOCXBDSA-N 1 2 345.403 3.241 20 5 EGBDLO CCc1ccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000471791074 310747272 /nfs/dbraw/zinc/74/72/72/310747272.db2.gz UUUYRKLRICDAAG-UHFFFAOYSA-N 1 2 338.367 3.043 20 5 EGBDLO CCC(CC)n1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000488971908 311087382 /nfs/dbraw/zinc/08/73/82/311087382.db2.gz CVZQHWNSDJKYFF-UHFFFAOYSA-N 1 2 346.435 3.186 20 5 EGBDLO Cc1cc(NCCOC2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489222187 311096178 /nfs/dbraw/zinc/09/61/78/311096178.db2.gz GLTYBCNSGLKHQX-UHFFFAOYSA-N 1 2 342.399 3.153 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489262845 311097661 /nfs/dbraw/zinc/09/76/61/311097661.db2.gz XSMSOEDVMREVEX-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489262845 311097662 /nfs/dbraw/zinc/09/76/62/311097662.db2.gz XSMSOEDVMREVEX-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO Cc1cc(N(C)[C@@H]2CCCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489984660 311128330 /nfs/dbraw/zinc/12/83/30/311128330.db2.gz QQXLCZNBYNGUPL-HZPDHXFCSA-N 1 2 342.399 3.100 20 5 EGBDLO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000493493506 311385507 /nfs/dbraw/zinc/38/55/07/311385507.db2.gz MTNIRYGIGWENMQ-ZRIUIHNJSA-N 1 2 346.774 3.280 20 5 EGBDLO CCn1cc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000535569681 314053214 /nfs/dbraw/zinc/05/32/14/314053214.db2.gz LQVKLWLICKPQJI-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO CCn1cc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000535569681 314053215 /nfs/dbraw/zinc/05/32/15/314053215.db2.gz LQVKLWLICKPQJI-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C)c[nH+]1 ZINC000535748677 314067983 /nfs/dbraw/zinc/06/79/83/314067983.db2.gz RPOWPTNJZYMOHE-UHFFFAOYSA-N 1 2 339.273 3.300 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCCOc1ccccc1-n1cc[nH+]c1 ZINC000542049689 314515592 /nfs/dbraw/zinc/51/55/92/314515592.db2.gz FIPSVBPLMDBADM-UHFFFAOYSA-N 1 2 325.324 3.238 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C\c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000547039602 314871518 /nfs/dbraw/zinc/87/15/18/314871518.db2.gz QWPWIOQCAGEPSO-HJWRWDBZSA-N 1 2 347.334 3.387 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCC[C@H](F)C1 ZINC000564902972 316229952 /nfs/dbraw/zinc/22/99/52/316229952.db2.gz FUTDQHIXGGGBBH-GJZGRUSLSA-N 1 2 337.395 3.120 20 5 EGBDLO CC(C)c1cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000183087419 455226110 /nfs/dbraw/zinc/22/61/10/455226110.db2.gz LWLKUNGOAGAHKX-GFCCVEGCSA-N 1 2 347.444 3.256 20 5 EGBDLO CC(C)c1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000183087419 455226116 /nfs/dbraw/zinc/22/61/16/455226116.db2.gz LWLKUNGOAGAHKX-GFCCVEGCSA-N 1 2 347.444 3.256 20 5 EGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000003107344 452745176 /nfs/dbraw/zinc/74/51/76/452745176.db2.gz HTZQCVGTLZTUBP-HNNXBMFYSA-N 1 2 341.367 3.001 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591254 453612933 /nfs/dbraw/zinc/61/29/33/453612933.db2.gz XBTGGLFGERCQDH-WDEREUQCSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591254 453612938 /nfs/dbraw/zinc/61/29/38/453612938.db2.gz XBTGGLFGERCQDH-WDEREUQCSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591260 453613252 /nfs/dbraw/zinc/61/32/52/453613252.db2.gz JZBVENIYGGMPJT-WDEREUQCSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591260 453613255 /nfs/dbraw/zinc/61/32/55/453613255.db2.gz JZBVENIYGGMPJT-WDEREUQCSA-N 1 2 345.321 3.196 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1OC ZINC000026186309 453794580 /nfs/dbraw/zinc/79/45/80/453794580.db2.gz RQACWQHKOLEYTL-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1OC ZINC000026186309 453794582 /nfs/dbraw/zinc/79/45/82/453794582.db2.gz RQACWQHKOLEYTL-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c2c(c1)COCO2 ZINC000084338995 453984777 /nfs/dbraw/zinc/98/47/77/453984777.db2.gz ITTWZKNUIJDTGT-INIZCTEOSA-N 1 2 329.356 3.127 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c2c(c1)COCO2 ZINC000084338995 453984782 /nfs/dbraw/zinc/98/47/82/453984782.db2.gz ITTWZKNUIJDTGT-INIZCTEOSA-N 1 2 329.356 3.127 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c(F)c1 ZINC000042097923 453993488 /nfs/dbraw/zinc/99/34/88/453993488.db2.gz YQGLFLMHGFUQLJ-SFHVURJKSA-N 1 2 345.374 3.219 20 5 EGBDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000056491410 454061725 /nfs/dbraw/zinc/06/17/25/454061725.db2.gz DOIKNCUNLNTBDC-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO Cc1ccn2cc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)[nH+]c2c1 ZINC000056530570 454065683 /nfs/dbraw/zinc/06/56/83/454065683.db2.gz LNSLGFJHOKMQMG-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606888 454114853 /nfs/dbraw/zinc/11/48/53/454114853.db2.gz JVFOUMUIMOYQMU-YOEHRIQHSA-N 1 2 345.443 3.133 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606888 454114856 /nfs/dbraw/zinc/11/48/56/454114856.db2.gz JVFOUMUIMOYQMU-YOEHRIQHSA-N 1 2 345.443 3.133 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000089794171 454201081 /nfs/dbraw/zinc/20/10/81/454201081.db2.gz RYDKVYXZJGUQCA-INIZCTEOSA-N 1 2 336.351 3.196 20 5 EGBDLO Cc1cc(N[C@H](C)c2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078307253 454228640 /nfs/dbraw/zinc/22/86/40/454228640.db2.gz YEBKELUEOXEKPO-GFCCVEGCSA-N 1 2 338.371 3.267 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cs1 ZINC000184708091 455433596 /nfs/dbraw/zinc/43/35/96/455433596.db2.gz HFOPPJADRHEGQK-LLVKDONJSA-N 1 2 348.428 3.211 20 5 EGBDLO CC(=O)c1ccc(OCc2c(C)[nH+]c3ccccn32)c([N+](=O)[O-])c1 ZINC000120728172 454339943 /nfs/dbraw/zinc/33/99/43/454339943.db2.gz RGTNUOVKEJOAMB-UHFFFAOYSA-N 1 2 325.324 3.333 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccsc3C2)cccc1[N+](=O)[O-] ZINC000132747704 454362141 /nfs/dbraw/zinc/36/21/41/454362141.db2.gz QEVTUWSHAOZEGA-GFCCVEGCSA-N 1 2 345.424 3.350 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3ccsc3C2)cccc1[N+](=O)[O-] ZINC000132747704 454362145 /nfs/dbraw/zinc/36/21/45/454362145.db2.gz QEVTUWSHAOZEGA-GFCCVEGCSA-N 1 2 345.424 3.350 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000101821472 454485479 /nfs/dbraw/zinc/48/54/79/454485479.db2.gz PMNJZIKNZRRPCA-UHFFFAOYSA-N 1 2 332.703 3.279 20 5 EGBDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121892056 454489305 /nfs/dbraw/zinc/48/93/05/454489305.db2.gz LWJZBGNQFZRBQY-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121892056 454489308 /nfs/dbraw/zinc/48/93/08/454489308.db2.gz LWJZBGNQFZRBQY-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103967358 454571607 /nfs/dbraw/zinc/57/16/07/454571607.db2.gz PPWIJKBMHULUKA-UHFFFAOYSA-N 1 2 338.323 3.002 20 5 EGBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135230861 454649931 /nfs/dbraw/zinc/64/99/31/454649931.db2.gz LTCVEQHCEBYJTR-HUUCEWRRSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135230861 454649936 /nfs/dbraw/zinc/64/99/36/454649936.db2.gz LTCVEQHCEBYJTR-HUUCEWRRSA-N 1 2 345.443 3.064 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000093704243 454729967 /nfs/dbraw/zinc/72/99/67/454729967.db2.gz CTTKONIAMAZDEZ-MRXNPFEDSA-N 1 2 327.384 3.377 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000093704243 454729971 /nfs/dbraw/zinc/72/99/71/454729971.db2.gz CTTKONIAMAZDEZ-MRXNPFEDSA-N 1 2 327.384 3.377 20 5 EGBDLO CN(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000153317559 454781599 /nfs/dbraw/zinc/78/15/99/454781599.db2.gz XMYVDLUNZZOGRI-UHFFFAOYSA-N 1 2 339.395 3.222 20 5 EGBDLO CN(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000153317559 454781604 /nfs/dbraw/zinc/78/16/04/454781604.db2.gz XMYVDLUNZZOGRI-UHFFFAOYSA-N 1 2 339.395 3.222 20 5 EGBDLO C[N@H+](CCn1cccn1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000125241737 454806282 /nfs/dbraw/zinc/80/62/82/454806282.db2.gz QADZZZOKUMOXER-UHFFFAOYSA-N 1 2 343.412 3.047 20 5 EGBDLO C[N@@H+](CCn1cccn1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000125241737 454806286 /nfs/dbraw/zinc/80/62/86/454806286.db2.gz QADZZZOKUMOXER-UHFFFAOYSA-N 1 2 343.412 3.047 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000162946759 454811191 /nfs/dbraw/zinc/81/11/91/454811191.db2.gz QJAGTPHBEZRTGF-KGLIPLIRSA-N 1 2 342.399 3.289 20 5 EGBDLO Cc1cc(NC[C@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000141040151 454825943 /nfs/dbraw/zinc/82/59/43/454825943.db2.gz FJVRGODXVSYMFY-OAHLLOKOSA-N 1 2 328.372 3.341 20 5 EGBDLO COc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000153970458 454852781 /nfs/dbraw/zinc/85/27/81/454852781.db2.gz YRNOHVQRROBXOT-UHFFFAOYSA-N 1 2 338.404 3.156 20 5 EGBDLO COc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000153970458 454852783 /nfs/dbraw/zinc/85/27/83/454852783.db2.gz YRNOHVQRROBXOT-UHFFFAOYSA-N 1 2 338.404 3.156 20 5 EGBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000127543914 454975389 /nfs/dbraw/zinc/97/53/89/454975389.db2.gz GBARJFNRHDEQOP-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000127543914 454975392 /nfs/dbraw/zinc/97/53/92/454975392.db2.gz GBARJFNRHDEQOP-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000127771194 454996429 /nfs/dbraw/zinc/99/64/29/454996429.db2.gz ZIVRXRCJWQAPPJ-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000127771194 454996431 /nfs/dbraw/zinc/99/64/31/454996431.db2.gz ZIVRXRCJWQAPPJ-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000175258834 455431500 /nfs/dbraw/zinc/43/15/00/455431500.db2.gz GIPYQFGPDHDINW-VXGBXAGGSA-N 1 2 348.428 3.346 20 5 EGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184787969 455448062 /nfs/dbraw/zinc/44/80/62/455448062.db2.gz BCHNRENMBPUYFS-OAHLLOKOSA-N 1 2 334.372 3.236 20 5 EGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1F ZINC000267019225 455493356 /nfs/dbraw/zinc/49/33/56/455493356.db2.gz JTPOUOMMOQEQEQ-UHFFFAOYSA-N 1 2 346.284 3.125 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000182588286 455548411 /nfs/dbraw/zinc/54/84/11/455548411.db2.gz DUSCFQBUPWWKHA-GFCCVEGCSA-N 1 2 331.338 3.144 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@](=O)C1 ZINC000277561275 455598406 /nfs/dbraw/zinc/59/84/06/455598406.db2.gz RVIIHIURKDNVHV-RZFZLAGVSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@](=O)C1 ZINC000277561275 455598412 /nfs/dbraw/zinc/59/84/12/455598412.db2.gz RVIIHIURKDNVHV-RZFZLAGVSA-N 1 2 348.424 3.055 20 5 EGBDLO CCc1nc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000283886302 455607615 /nfs/dbraw/zinc/60/76/15/455607615.db2.gz AUDFQYLRYUNDGS-VIFPVBQESA-N 1 2 336.373 3.373 20 5 EGBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283932422 455612978 /nfs/dbraw/zinc/61/29/78/455612978.db2.gz CRMPULCZSABTAA-NSHDSACASA-N 1 2 331.328 3.402 20 5 EGBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283932422 455612985 /nfs/dbraw/zinc/61/29/85/455612985.db2.gz CRMPULCZSABTAA-NSHDSACASA-N 1 2 331.328 3.402 20 5 EGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncc([N+](=O)[O-])s1 ZINC000192471843 455624673 /nfs/dbraw/zinc/62/46/73/455624673.db2.gz UHBRGMLVTUMYBS-UHFFFAOYSA-N 1 2 347.444 3.189 20 5 EGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CCO)c1ccccc1 ZINC000284324781 455669439 /nfs/dbraw/zinc/66/94/39/455669439.db2.gz WSIVVQPQZYMXQA-QGZVFWFLSA-N 1 2 336.338 3.429 20 5 EGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CCO)c1ccccc1 ZINC000284324781 455669445 /nfs/dbraw/zinc/66/94/45/455669445.db2.gz WSIVVQPQZYMXQA-QGZVFWFLSA-N 1 2 336.338 3.429 20 5 EGBDLO Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292689397 455732491 /nfs/dbraw/zinc/73/24/91/455732491.db2.gz RLSHWYFUKMGKDO-CQSZACIVSA-N 1 2 344.390 3.321 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000285829961 455924212 /nfs/dbraw/zinc/92/42/12/455924212.db2.gz WVOWWWKYKPXQHA-AWEZNQCLSA-N 1 2 332.360 3.022 20 5 EGBDLO CCOc1cc(C[N@H+]2CCC[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000285829961 455924218 /nfs/dbraw/zinc/92/42/18/455924218.db2.gz WVOWWWKYKPXQHA-AWEZNQCLSA-N 1 2 332.360 3.022 20 5 EGBDLO CC1(C)C[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000296608757 455986809 /nfs/dbraw/zinc/98/68/09/455986809.db2.gz WEDNFSQQERZQNG-CQSZACIVSA-N 1 2 327.388 3.103 20 5 EGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000296605415 455987177 /nfs/dbraw/zinc/98/71/77/455987177.db2.gz VWQXIUSUJFHCIY-LLVKDONJSA-N 1 2 333.392 3.086 20 5 EGBDLO Cc1cc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000296783574 456036598 /nfs/dbraw/zinc/03/65/98/456036598.db2.gz KJXQIKQNEJCLER-AWEZNQCLSA-N 1 2 343.387 3.252 20 5 EGBDLO Cc1cc(N(C)CC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302728918 456386212 /nfs/dbraw/zinc/38/62/12/456386212.db2.gz ULWGPQUWWXMKNI-MRXNPFEDSA-N 1 2 342.399 3.366 20 5 EGBDLO CO[C@H](C)c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282450334 456517634 /nfs/dbraw/zinc/51/76/34/456517634.db2.gz LSYBCWJSVGHXBH-GFCCVEGCSA-N 1 2 335.429 3.433 20 5 EGBDLO CO[C@H](C)c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282450334 456517640 /nfs/dbraw/zinc/51/76/40/456517640.db2.gz LSYBCWJSVGHXBH-GFCCVEGCSA-N 1 2 335.429 3.433 20 5 EGBDLO COC(=O)[C@H](c1ccsc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282500330 456532902 /nfs/dbraw/zinc/53/29/02/456532902.db2.gz QUTKTGXVYTWPPJ-HNNXBMFYSA-N 1 2 334.397 3.045 20 5 EGBDLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282500330 456532908 /nfs/dbraw/zinc/53/29/08/456532908.db2.gz QUTKTGXVYTWPPJ-HNNXBMFYSA-N 1 2 334.397 3.045 20 5 EGBDLO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(C(F)(F)F)cs1 ZINC000348281235 456594853 /nfs/dbraw/zinc/59/48/53/456594853.db2.gz LBTZIHDIDFSRJJ-SSDOTTSWSA-N 1 2 349.338 3.045 20 5 EGBDLO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000282846842 456644084 /nfs/dbraw/zinc/64/40/84/456644084.db2.gz TWAVLZOVNVCZEW-OAHLLOKOSA-N 1 2 343.431 3.454 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000353433954 456696921 /nfs/dbraw/zinc/69/69/21/456696921.db2.gz HQGKBGCZVYWCGX-QGZVFWFLSA-N 1 2 340.358 3.347 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000353759055 456893988 /nfs/dbraw/zinc/89/39/88/456893988.db2.gz NTAVJBFYTXQOPW-KRWDZBQOSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000353759055 456893992 /nfs/dbraw/zinc/89/39/92/456893992.db2.gz NTAVJBFYTXQOPW-KRWDZBQOSA-N 1 2 343.358 3.337 20 5 EGBDLO Cc1cc(N[C@@H]2C[C@H]2c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339098142 456939367 /nfs/dbraw/zinc/93/93/67/456939367.db2.gz NQSCWWLGEBEMDG-DLBZAZTESA-N 1 2 347.378 3.145 20 5 EGBDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330694321 457071753 /nfs/dbraw/zinc/07/17/53/457071753.db2.gz SVMMFJXHKCGDCJ-UHFFFAOYSA-N 1 2 333.432 3.064 20 5 EGBDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000330694321 457071758 /nfs/dbraw/zinc/07/17/58/457071758.db2.gz SVMMFJXHKCGDCJ-UHFFFAOYSA-N 1 2 333.432 3.064 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000330811914 457089081 /nfs/dbraw/zinc/08/90/81/457089081.db2.gz NEGHVNQQTABXLX-CMPLNLGQSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000330811914 457089085 /nfs/dbraw/zinc/08/90/85/457089085.db2.gz NEGHVNQQTABXLX-CMPLNLGQSA-N 1 2 338.713 3.136 20 5 EGBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330949993 457107986 /nfs/dbraw/zinc/10/79/86/457107986.db2.gz CTBMFNMBSFCCAT-LBPRGKRZSA-N 1 2 345.321 3.196 20 5 EGBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330949993 457107990 /nfs/dbraw/zinc/10/79/90/457107990.db2.gz CTBMFNMBSFCCAT-LBPRGKRZSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1Cl ZINC000356803921 457174345 /nfs/dbraw/zinc/17/43/45/457174345.db2.gz JOJKJDLVBDAIBT-MRVPVSSYSA-N 1 2 329.187 3.486 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000332194067 457324833 /nfs/dbraw/zinc/32/48/33/457324833.db2.gz YPKCDOSQZXLBJP-DZGCQCFKSA-N 1 2 349.456 3.202 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000332194067 457324839 /nfs/dbraw/zinc/32/48/39/457324839.db2.gz YPKCDOSQZXLBJP-DZGCQCFKSA-N 1 2 349.456 3.202 20 5 EGBDLO CC(C)(C)c1ncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000342772585 457514123 /nfs/dbraw/zinc/51/41/23/457514123.db2.gz BGDHFZZDDIAVGM-UHFFFAOYSA-N 1 2 326.400 3.241 20 5 EGBDLO CC(C)(C)c1ncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000342772585 457514130 /nfs/dbraw/zinc/51/41/30/457514130.db2.gz BGDHFZZDDIAVGM-UHFFFAOYSA-N 1 2 326.400 3.241 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOc1ccccc1F)CCO2 ZINC000352711961 457550435 /nfs/dbraw/zinc/55/04/35/457550435.db2.gz YQHJWHUBVGOKFX-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOc1ccccc1F)CCO2 ZINC000352711961 457550438 /nfs/dbraw/zinc/55/04/38/457550438.db2.gz YQHJWHUBVGOKFX-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000370204724 457583369 /nfs/dbraw/zinc/58/33/69/457583369.db2.gz SQGRWVUZHAIWGG-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000370204724 457583376 /nfs/dbraw/zinc/58/33/76/457583376.db2.gz SQGRWVUZHAIWGG-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000370204725 457584319 /nfs/dbraw/zinc/58/43/19/457584319.db2.gz SQGRWVUZHAIWGG-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000370204725 457584327 /nfs/dbraw/zinc/58/43/27/457584327.db2.gz SQGRWVUZHAIWGG-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)[nH+]c1C ZINC000364516857 457630435 /nfs/dbraw/zinc/63/04/35/457630435.db2.gz NNSQLTHYNZMHNP-UHFFFAOYSA-N 1 2 326.312 3.447 20 5 EGBDLO CCOc1cccc(NCc2ccc(-n3cc[nH+]c3)nc2)c1[N+](=O)[O-] ZINC000375158794 457815144 /nfs/dbraw/zinc/81/51/44/457815144.db2.gz JSNDONXXHBVTSW-UHFFFAOYSA-N 1 2 339.355 3.186 20 5 EGBDLO Cc1[nH]c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)cc2[nH+]1 ZINC000435410947 458139543 /nfs/dbraw/zinc/13/95/43/458139543.db2.gz JOXLBHYPBCHGSO-UHFFFAOYSA-N 1 2 340.339 3.105 20 5 EGBDLO CCCCOC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000362447958 458185318 /nfs/dbraw/zinc/18/53/18/458185318.db2.gz MASHVFYEXARJLE-UHFFFAOYSA-N 1 2 349.431 3.123 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000446897652 458243546 /nfs/dbraw/zinc/24/35/46/458243546.db2.gz COOLAJWYCPJUIW-INIZCTEOSA-N 1 2 347.440 3.450 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000447070200 458261979 /nfs/dbraw/zinc/26/19/79/458261979.db2.gz RPUYYZIVZFZPHX-UHFFFAOYSA-N 1 2 332.404 3.256 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000447070200 458261984 /nfs/dbraw/zinc/26/19/84/458261984.db2.gz RPUYYZIVZFZPHX-UHFFFAOYSA-N 1 2 332.404 3.256 20 5 EGBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccccc2O1 ZINC000429134217 458279139 /nfs/dbraw/zinc/27/91/39/458279139.db2.gz JLUTYOJQSQPEDR-LBPRGKRZSA-N 1 2 338.367 3.254 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccccc2O1 ZINC000429134217 458279146 /nfs/dbraw/zinc/27/91/46/458279146.db2.gz JLUTYOJQSQPEDR-LBPRGKRZSA-N 1 2 338.367 3.254 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429145547 458280674 /nfs/dbraw/zinc/28/06/74/458280674.db2.gz YHPFYDABCHKWRE-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429145547 458280678 /nfs/dbraw/zinc/28/06/78/458280678.db2.gz YHPFYDABCHKWRE-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO Cc1c(C[NH+]2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000429393403 458327736 /nfs/dbraw/zinc/32/77/36/458327736.db2.gz KHKOGZNUHTYVGK-KBPBESRZSA-N 1 2 347.459 3.371 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1O ZINC000459349907 458339997 /nfs/dbraw/zinc/33/99/97/458339997.db2.gz NSZHTWDYDQVJST-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO CCOc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccc1O ZINC000459349907 458340000 /nfs/dbraw/zinc/34/00/00/458340000.db2.gz NSZHTWDYDQVJST-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO CCc1cc(NC[C@H]2CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000447816734 458346692 /nfs/dbraw/zinc/34/66/92/458346692.db2.gz KFGHJBPIHQIKIN-GFCCVEGCSA-N 1 2 344.440 3.201 20 5 EGBDLO Cc1cc(N2CCO[C@@H](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477030376 459026457 /nfs/dbraw/zinc/02/64/57/459026457.db2.gz CSCCNHCRCKMSMH-MRXNPFEDSA-N 1 2 342.399 3.221 20 5 EGBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000496359511 459165858 /nfs/dbraw/zinc/16/58/58/459165858.db2.gz AENHBMNGJKYQNG-GDBMZVCRSA-N 1 2 347.415 3.036 20 5 EGBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000496359511 459165864 /nfs/dbraw/zinc/16/58/64/459165864.db2.gz AENHBMNGJKYQNG-GDBMZVCRSA-N 1 2 347.415 3.036 20 5 EGBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000594967946 459199784 /nfs/dbraw/zinc/19/97/84/459199784.db2.gz BBGMFAKKZKBWPQ-QGZVFWFLSA-N 1 2 334.347 3.220 20 5 EGBDLO CC(C)c1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc1 ZINC000558972088 459226394 /nfs/dbraw/zinc/22/63/94/459226394.db2.gz MWPLWHZCENVXCE-UHFFFAOYSA-N 1 2 346.456 3.497 20 5 EGBDLO COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595072131 459237499 /nfs/dbraw/zinc/23/74/99/459237499.db2.gz GCLPFGRBPPCUIC-GFCCVEGCSA-N 1 2 346.383 3.471 20 5 EGBDLO C[C@@H]([NH2+]Cc1nnc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000595415800 459294744 /nfs/dbraw/zinc/29/47/44/459294744.db2.gz SVCCSFGLJWBQOC-SSDOTTSWSA-N 1 2 332.307 3.316 20 5 EGBDLO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000595488432 459321954 /nfs/dbraw/zinc/32/19/54/459321954.db2.gz GJWXUUPHVFODBO-GFCCVEGCSA-N 1 2 325.752 3.022 20 5 EGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000523851311 459333889 /nfs/dbraw/zinc/33/38/89/459333889.db2.gz QOWMAJYCGQBDMM-UHFFFAOYSA-N 1 2 345.746 3.025 20 5 EGBDLO CN(C(=O)C[N@@H+]1CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595701220 459403928 /nfs/dbraw/zinc/40/39/28/459403928.db2.gz DWOVORWPUCBNTM-QGZVFWFLSA-N 1 2 343.358 3.144 20 5 EGBDLO CN(C(=O)C[N@H+]1CC[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000595701220 459403931 /nfs/dbraw/zinc/40/39/31/459403931.db2.gz DWOVORWPUCBNTM-QGZVFWFLSA-N 1 2 343.358 3.144 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](Oc4ccccc4)C3)nc2c1 ZINC000595832524 459457827 /nfs/dbraw/zinc/45/78/27/459457827.db2.gz WRGZYNPDRXFVHM-OAHLLOKOSA-N 1 2 338.367 3.124 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](Oc4ccccc4)C3)nc2c1 ZINC000595832524 459457833 /nfs/dbraw/zinc/45/78/33/459457833.db2.gz WRGZYNPDRXFVHM-OAHLLOKOSA-N 1 2 338.367 3.124 20 5 EGBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000583453954 459541742 /nfs/dbraw/zinc/54/17/42/459541742.db2.gz PBHBTJMTTIXOLS-UHFFFAOYSA-N 1 2 348.321 3.387 20 5 EGBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000583453954 459541747 /nfs/dbraw/zinc/54/17/47/459541747.db2.gz PBHBTJMTTIXOLS-UHFFFAOYSA-N 1 2 348.321 3.387 20 5 EGBDLO C[C@@H]1C[N@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434040 459634288 /nfs/dbraw/zinc/63/42/88/459634288.db2.gz WTYGAHSSKPJZAJ-WDEREUQCSA-N 1 2 329.347 3.054 20 5 EGBDLO C[C@@H]1C[N@@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434040 459634292 /nfs/dbraw/zinc/63/42/92/459634292.db2.gz WTYGAHSSKPJZAJ-WDEREUQCSA-N 1 2 329.347 3.054 20 5 EGBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000593060129 459760823 /nfs/dbraw/zinc/76/08/23/459760823.db2.gz YMDLCZOCXNCPKQ-OLZOCXBDSA-N 1 2 326.368 3.132 20 5 EGBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000593060129 459760827 /nfs/dbraw/zinc/76/08/27/459760827.db2.gz YMDLCZOCXNCPKQ-OLZOCXBDSA-N 1 2 326.368 3.132 20 5 EGBDLO Cc1cccn2cc(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)[nH+]c12 ZINC000545524760 459837076 /nfs/dbraw/zinc/83/70/76/459837076.db2.gz BDBXTRGLTWYAFE-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464379 459904006 /nfs/dbraw/zinc/90/40/06/459904006.db2.gz JIZDPJDFQLKWLV-NSHDSACASA-N 1 2 348.428 3.320 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131509 459907589 /nfs/dbraw/zinc/90/75/89/459907589.db2.gz RECDZNAOYCMXJK-CQSZACIVSA-N 1 2 340.339 3.015 20 5 EGBDLO Cn1cc([C@@H]2CSCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000588587924 459954968 /nfs/dbraw/zinc/95/49/68/459954968.db2.gz NXYMKWJDPHBQBJ-AATOQMJSSA-N 1 2 344.440 3.132 20 5 EGBDLO Cn1cc([C@@H]2CSCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000588587924 459954971 /nfs/dbraw/zinc/95/49/71/459954971.db2.gz NXYMKWJDPHBQBJ-AATOQMJSSA-N 1 2 344.440 3.132 20 5 EGBDLO CO[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000602653273 460045065 /nfs/dbraw/zinc/04/50/65/460045065.db2.gz CPWGDGZXXNQYJN-IUCAKERBSA-N 1 2 349.250 3.418 20 5 EGBDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000602653273 460045067 /nfs/dbraw/zinc/04/50/67/460045067.db2.gz CPWGDGZXXNQYJN-IUCAKERBSA-N 1 2 349.250 3.418 20 5 EGBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)CO1 ZINC000609671653 460006454 /nfs/dbraw/zinc/00/64/54/460006454.db2.gz HUHLFPQJGWTVBU-UHFFFAOYSA-N 1 2 346.387 3.034 20 5 EGBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(C)(C)CO1 ZINC000609671653 460006461 /nfs/dbraw/zinc/00/64/61/460006461.db2.gz HUHLFPQJGWTVBU-UHFFFAOYSA-N 1 2 346.387 3.034 20 5 EGBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)Cc1ccncc1 ZINC000602607291 460021404 /nfs/dbraw/zinc/02/14/04/460021404.db2.gz IPGPCIHLBPCHAB-UHFFFAOYSA-N 1 2 342.218 3.446 20 5 EGBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)Cc1ccncc1 ZINC000602607291 460021409 /nfs/dbraw/zinc/02/14/09/460021409.db2.gz IPGPCIHLBPCHAB-UHFFFAOYSA-N 1 2 342.218 3.446 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(CN2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000575941185 460037822 /nfs/dbraw/zinc/03/78/22/460037822.db2.gz ISWWVWCYYRNFSD-UHFFFAOYSA-N 1 2 348.353 3.345 20 5 EGBDLO CNc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc1[N+](=O)[O-] ZINC000610310309 460115976 /nfs/dbraw/zinc/11/59/76/460115976.db2.gz LZUVBJRSUFVVSG-UHFFFAOYSA-N 1 2 339.355 3.084 20 5 EGBDLO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CCC[N@@H+]1CC(F)F ZINC000599133849 460170229 /nfs/dbraw/zinc/17/02/29/460170229.db2.gz MARQMXHYKCXVEY-NSHDSACASA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CCC[N@H+]1CC(F)F ZINC000599133849 460170233 /nfs/dbraw/zinc/17/02/33/460170233.db2.gz MARQMXHYKCXVEY-NSHDSACASA-N 1 2 336.342 3.284 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599624690 460290542 /nfs/dbraw/zinc/29/05/42/460290542.db2.gz WJSQUQXBDWCCPL-JTQLQIEISA-N 1 2 338.314 3.264 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599624690 460290548 /nfs/dbraw/zinc/29/05/48/460290548.db2.gz WJSQUQXBDWCCPL-JTQLQIEISA-N 1 2 338.314 3.264 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599622445 460290595 /nfs/dbraw/zinc/29/05/95/460290595.db2.gz IMMJHDXSLAQWJM-JTQLQIEISA-N 1 2 328.315 3.081 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599622445 460290598 /nfs/dbraw/zinc/29/05/98/460290598.db2.gz IMMJHDXSLAQWJM-JTQLQIEISA-N 1 2 328.315 3.081 20 5 EGBDLO CC(C)(Nc1ccc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000603406866 460299508 /nfs/dbraw/zinc/29/95/08/460299508.db2.gz NDUWAMQXSJHMFM-UHFFFAOYSA-N 1 2 325.166 3.428 20 5 EGBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000599683736 460310284 /nfs/dbraw/zinc/31/02/84/460310284.db2.gz XOCAOOSKZUKAHY-MRXNPFEDSA-N 1 2 344.342 3.006 20 5 EGBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000599683736 460310285 /nfs/dbraw/zinc/31/02/85/460310285.db2.gz XOCAOOSKZUKAHY-MRXNPFEDSA-N 1 2 344.342 3.006 20 5 EGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611554302 460397513 /nfs/dbraw/zinc/39/75/13/460397513.db2.gz KREPLPBVAWSLGD-MNOVXSKESA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611554302 460397516 /nfs/dbraw/zinc/39/75/16/460397516.db2.gz KREPLPBVAWSLGD-MNOVXSKESA-N 1 2 345.321 3.196 20 5 EGBDLO Cc1ccncc1[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611940036 460492404 /nfs/dbraw/zinc/49/24/04/460492404.db2.gz YXXUOUKJGDSYPQ-LBPRGKRZSA-N 1 2 339.355 3.199 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])cc1F ZINC000184234990 533788576 /nfs/dbraw/zinc/78/85/76/533788576.db2.gz ZQVVPAQPFIKHJL-UHFFFAOYSA-N 1 2 341.770 3.366 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2cc(Cl)cn2C)c([N+](=O)[O-])cc1F ZINC000184234990 533788580 /nfs/dbraw/zinc/78/85/80/533788580.db2.gz ZQVVPAQPFIKHJL-UHFFFAOYSA-N 1 2 341.770 3.366 20 5 EGBDLO Cc1cc(NC[C@]2(C)CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301540495 518187676 /nfs/dbraw/zinc/18/76/76/518187676.db2.gz BTBYUJSVCDXEAJ-KRWDZBQOSA-N 1 2 328.372 3.341 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000190303365 534888360 /nfs/dbraw/zinc/88/83/60/534888360.db2.gz URVWFRFQRBHXRG-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(F)F ZINC000128954231 528879085 /nfs/dbraw/zinc/87/90/85/528879085.db2.gz GLGOYZGYBKHTPU-UHFFFAOYSA-N 1 2 333.310 3.038 20 5 EGBDLO CC(C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(F)F ZINC000128954231 528879090 /nfs/dbraw/zinc/87/90/90/528879090.db2.gz GLGOYZGYBKHTPU-UHFFFAOYSA-N 1 2 333.310 3.038 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(Br)o1 ZINC000178902295 536955944 /nfs/dbraw/zinc/95/59/44/536955944.db2.gz CTSKIAGRNGGRAG-UHFFFAOYSA-N 1 2 341.161 3.249 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000727707105 574686564 /nfs/dbraw/zinc/68/65/64/574686564.db2.gz FHBOFCACPALNJR-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO Cc1cc(C(=O)OCc2cn3cccc(C)c3[nH+]2)cc([N+](=O)[O-])c1 ZINC000728332697 574739820 /nfs/dbraw/zinc/73/98/20/574739820.db2.gz NAJYTQOGSOPBFL-UHFFFAOYSA-N 1 2 325.324 3.216 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc[nH+]c1N1CCCCC1 ZINC000731027192 575043660 /nfs/dbraw/zinc/04/36/60/575043660.db2.gz QVXJRKKAHRBXJI-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO CSCC[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736297257 575928911 /nfs/dbraw/zinc/92/89/11/575928911.db2.gz UIUFGXMQBSQRCA-LLVKDONJSA-N 1 2 332.429 3.336 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000745098194 576841097 /nfs/dbraw/zinc/84/10/97/576841097.db2.gz BBPAECCNFQOARG-SFHVURJKSA-N 1 2 342.395 3.374 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000745098194 576841098 /nfs/dbraw/zinc/84/10/98/576841098.db2.gz BBPAECCNFQOARG-SFHVURJKSA-N 1 2 342.395 3.374 20 5 EGBDLO O=C(Oc1cccc2[nH]ccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174723740 1294520039 /nfs/dbraw/zinc/52/00/39/1294520039.db2.gz IUBOENJGHDBOEJ-UHFFFAOYSA-N 1 2 348.318 3.481 20 5 EGBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCCO1 ZINC000233515787 1296178323 /nfs/dbraw/zinc/17/83/23/1296178323.db2.gz NHKHBSZIBLBJLD-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCCO1 ZINC000233515787 1296178329 /nfs/dbraw/zinc/17/83/29/1296178329.db2.gz NHKHBSZIBLBJLD-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC(C)C)CC1 ZINC000760923849 1301362581 /nfs/dbraw/zinc/36/25/81/1301362581.db2.gz DVLIDNVVBUZMBE-UHFFFAOYSA-N 1 2 349.431 3.300 20 5 EGBDLO C[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000761600873 1301507278 /nfs/dbraw/zinc/50/72/78/1301507278.db2.gz VWDXPPMQLBBMEN-BBRMVZONSA-N 1 2 344.415 3.126 20 5 EGBDLO O=[N+]([O-])c1c(F)nccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000881818108 1301731195 /nfs/dbraw/zinc/73/11/95/1301731195.db2.gz GDFKFBODJPHEKN-UHFFFAOYSA-N 1 2 331.351 3.126 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1Cl ZINC000768542260 1302930194 /nfs/dbraw/zinc/93/01/94/1302930194.db2.gz SGCHMYLEDUTZGJ-ZYHUDNBSSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1Cl ZINC000768542260 1302930203 /nfs/dbraw/zinc/93/02/03/1302930203.db2.gz SGCHMYLEDUTZGJ-ZYHUDNBSSA-N 1 2 338.713 3.136 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769753578 1303169577 /nfs/dbraw/zinc/16/95/77/1303169577.db2.gz MYFFDRXTLKRLRH-LBPRGKRZSA-N 1 2 348.790 3.002 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000769772246 1303172935 /nfs/dbraw/zinc/17/29/35/1303172935.db2.gz NUTBLKXBUVXALN-NSHDSACASA-N 1 2 348.790 3.002 20 5 EGBDLO CC(C)OC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000886723921 1303580383 /nfs/dbraw/zinc/58/03/83/1303580383.db2.gz QLKKELQJLBPJOR-UHFFFAOYSA-N 1 2 340.807 3.412 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cn(-c3ccccc3)nn1)CCC2 ZINC000774260893 1303791094 /nfs/dbraw/zinc/79/10/94/1303791094.db2.gz SELSZGXGQOBXQI-IBGZPJMESA-N 1 2 349.394 3.343 20 5 EGBDLO Cc1c(COC(=O)[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000780089167 1304637454 /nfs/dbraw/zinc/63/74/54/1304637454.db2.gz MBXVYCFADGAINH-QGZVFWFLSA-N 1 2 328.368 3.249 20 5 EGBDLO C[NH+](C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000784587985 1305263171 /nfs/dbraw/zinc/26/31/71/1305263171.db2.gz IYJLAQUJDQVKQG-MRXNPFEDSA-N 1 2 332.331 3.080 20 5 EGBDLO COc1c(O)ccc(C[NH2+]Cc2nc(C(C)C)cs2)c1[N+](=O)[O-] ZINC000893153169 1305735362 /nfs/dbraw/zinc/73/53/62/1305735362.db2.gz MSCIIWFFOHRWJT-UHFFFAOYSA-N 1 2 337.401 3.179 20 5 EGBDLO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000788540666 1305965758 /nfs/dbraw/zinc/96/57/58/1305965758.db2.gz TUIQWYHDPVUWCI-QZTJIDSGSA-N 1 2 330.384 3.148 20 5 EGBDLO C[N@H+](CC(F)F)C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000795960604 1309872047 /nfs/dbraw/zinc/87/20/47/1309872047.db2.gz QNUCBRKWKYXJOX-UHFFFAOYSA-N 1 2 349.328 3.034 20 5 EGBDLO C[N@@H+](CC(F)F)C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000795960604 1309872052 /nfs/dbraw/zinc/87/20/52/1309872052.db2.gz QNUCBRKWKYXJOX-UHFFFAOYSA-N 1 2 349.328 3.034 20 5 EGBDLO COc1ccc2c(c1)[C@@H]([N@H+](CC[N+](=O)[O-])Cc1ccccc1)CCO2 ZINC000929712181 1328675631 /nfs/dbraw/zinc/67/56/31/1328675631.db2.gz UGXKIXLHDYJNHG-SFHVURJKSA-N 1 2 342.395 3.298 20 5 EGBDLO COc1ccc2c(c1)[C@@H]([N@@H+](CC[N+](=O)[O-])Cc1ccccc1)CCO2 ZINC000929712181 1328675636 /nfs/dbraw/zinc/67/56/36/1328675636.db2.gz UGXKIXLHDYJNHG-SFHVURJKSA-N 1 2 342.395 3.298 20 5 EGBDLO CCc1ccc([C@H](NC[C@H]2CC[N@@H+]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319473 1317687296 /nfs/dbraw/zinc/68/72/96/1317687296.db2.gz ZVPAIYXTPPDKMN-CRAIPNDOSA-N 1 2 329.400 3.133 20 5 EGBDLO CCc1ccc([C@H](NC[C@H]2CC[N@H+]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319473 1317687302 /nfs/dbraw/zinc/68/73/02/1317687302.db2.gz ZVPAIYXTPPDKMN-CRAIPNDOSA-N 1 2 329.400 3.133 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000809942614 1317921875 /nfs/dbraw/zinc/92/18/75/1317921875.db2.gz LFTBUTQJYNKYQZ-JTQLQIEISA-N 1 2 333.215 3.496 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000809942614 1317921883 /nfs/dbraw/zinc/92/18/83/1317921883.db2.gz LFTBUTQJYNKYQZ-JTQLQIEISA-N 1 2 333.215 3.496 20 5 EGBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000916152350 1319611881 /nfs/dbraw/zinc/61/18/81/1319611881.db2.gz PRCSEZRDRFEYCZ-ZDUSSCGKSA-N 1 2 325.368 3.153 20 5 EGBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000916152350 1319611889 /nfs/dbraw/zinc/61/18/89/1319611889.db2.gz PRCSEZRDRFEYCZ-ZDUSSCGKSA-N 1 2 325.368 3.153 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCCCCC1 ZINC000822308108 1320070267 /nfs/dbraw/zinc/07/02/67/1320070267.db2.gz KJOCIFQAFIGENR-UHFFFAOYSA-N 1 2 328.372 3.187 20 5 EGBDLO Cc1cc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000823056976 1320150080 /nfs/dbraw/zinc/15/00/80/1320150080.db2.gz LEFJURRAFWRMPV-IRXDYDNUSA-N 1 2 325.368 3.027 20 5 EGBDLO Cc1nn(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] ZINC000863272120 1329542649 /nfs/dbraw/zinc/54/26/49/1329542649.db2.gz BDRONJHUHAUYMM-ZDUSSCGKSA-N 1 2 336.342 3.215 20 5 EGBDLO Cc1nn(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1[N+](=O)[O-] ZINC000863272120 1329542650 /nfs/dbraw/zinc/54/26/50/1329542650.db2.gz BDRONJHUHAUYMM-ZDUSSCGKSA-N 1 2 336.342 3.215 20 5 EGBDLO CC1(NC(=O)c2ccco2)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001045343977 1346567022 /nfs/dbraw/zinc/56/70/22/1346567022.db2.gz LACXXKFTPCOMTN-UHFFFAOYSA-N 1 2 349.412 3.034 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001210446853 1372356020 /nfs/dbraw/zinc/35/60/20/1372356020.db2.gz PKCFISWESXZFNL-UHFFFAOYSA-N 1 2 343.383 3.179 20 5 EGBDLO C[NH+](C)CC[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001228972317 1375728635 /nfs/dbraw/zinc/72/86/35/1375728635.db2.gz VHQKTDZUPXXBGK-OAHLLOKOSA-N 1 2 332.356 3.078 20 5 EGBDLO O=C(NCCn1cc[nH+]c1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155990836 1380510962 /nfs/dbraw/zinc/51/09/62/1380510962.db2.gz NHGPTRCSXTWDAM-UHFFFAOYSA-N 1 2 349.419 3.024 20 5 EGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001340891320 1390397727 /nfs/dbraw/zinc/39/77/27/1390397727.db2.gz UENSVTZAVNODEV-UHFFFAOYSA-N 1 2 325.796 3.307 20 5 EGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001340891320 1390397733 /nfs/dbraw/zinc/39/77/33/1390397733.db2.gz UENSVTZAVNODEV-UHFFFAOYSA-N 1 2 325.796 3.307 20 5 EGBDLO CCc1cc(NC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053548260 214187544 /nfs/dbraw/zinc/18/75/44/214187544.db2.gz AJNMYUXMXZASGB-OAHLLOKOSA-N 1 2 328.372 3.205 20 5 EGBDLO CN(C)c1ccccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704508 282301103 /nfs/dbraw/zinc/30/11/03/282301103.db2.gz GIEUDFZRRGOHKT-UHFFFAOYSA-N 1 2 327.384 3.055 20 5 EGBDLO CN(C)c1ccccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704508 282301107 /nfs/dbraw/zinc/30/11/07/282301107.db2.gz GIEUDFZRRGOHKT-UHFFFAOYSA-N 1 2 327.384 3.055 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000067030920 215106926 /nfs/dbraw/zinc/10/69/26/215106926.db2.gz XDDXCOWNFOGLFF-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000067030920 215106928 /nfs/dbraw/zinc/10/69/28/215106928.db2.gz XDDXCOWNFOGLFF-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2nc(-c3ccco3)no2)C2CC2)cc1 ZINC000130890110 223185387 /nfs/dbraw/zinc/18/53/87/223185387.db2.gz JXRMLEZOOIBEMC-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2nc(-c3ccco3)no2)C2CC2)cc1 ZINC000130890110 223185388 /nfs/dbraw/zinc/18/53/88/223185388.db2.gz JXRMLEZOOIBEMC-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000021901574 212261581 /nfs/dbraw/zinc/26/15/81/212261581.db2.gz OBDPRMWWZNRCAR-OAHLLOKOSA-N 1 2 327.319 3.064 20 5 EGBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000265092655 247195263 /nfs/dbraw/zinc/19/52/63/247195263.db2.gz ATCJEERFOYEOII-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO Cc1ccnc(NCc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000265153740 247252485 /nfs/dbraw/zinc/25/24/85/247252485.db2.gz BXHGBOLDSHZCRW-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000265131568 247232967 /nfs/dbraw/zinc/23/29/67/247232967.db2.gz NGJNNLOQVBSDTB-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO Cc1csc([C@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000266525357 248344970 /nfs/dbraw/zinc/34/49/70/248344970.db2.gz KCIVZFLDWMJJBY-IUODEOHRSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1csc([C@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000266525357 248344972 /nfs/dbraw/zinc/34/49/72/248344972.db2.gz KCIVZFLDWMJJBY-IUODEOHRSA-N 1 2 333.413 3.494 20 5 EGBDLO CC[N@H+](CCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009154854 211045278 /nfs/dbraw/zinc/04/52/78/211045278.db2.gz XDFDPAFWPIMMOP-UHFFFAOYSA-N 1 2 327.384 3.241 20 5 EGBDLO CC[N@@H+](CCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009154854 211045281 /nfs/dbraw/zinc/04/52/81/211045281.db2.gz XDFDPAFWPIMMOP-UHFFFAOYSA-N 1 2 327.384 3.241 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)n1 ZINC000338370560 141110074 /nfs/dbraw/zinc/11/00/74/141110074.db2.gz WFVPINXFDYTSMC-OAHLLOKOSA-N 1 2 338.770 3.015 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)n1 ZINC000338370560 141110075 /nfs/dbraw/zinc/11/00/75/141110075.db2.gz WFVPINXFDYTSMC-OAHLLOKOSA-N 1 2 338.770 3.015 20 5 EGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357923090 141359301 /nfs/dbraw/zinc/35/93/01/141359301.db2.gz GHOKFBXTKLFDOK-UHFFFAOYSA-N 1 2 338.323 3.251 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000178226174 144066916 /nfs/dbraw/zinc/06/69/16/144066916.db2.gz NRXHNQLUENVLCM-AWEZNQCLSA-N 1 2 336.342 3.291 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000351542587 144276462 /nfs/dbraw/zinc/27/64/62/144276462.db2.gz UJHOSBQBOCHHEQ-HNNXBMFYSA-N 1 2 343.387 3.218 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[S@@]1=O ZINC000361654674 144344141 /nfs/dbraw/zinc/34/41/41/144344141.db2.gz LWMXTBWEPNBNJR-AHZSZHTNSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[S@@]1=O ZINC000361654674 144344144 /nfs/dbraw/zinc/34/41/44/144344144.db2.gz LWMXTBWEPNBNJR-AHZSZHTNSA-N 1 2 348.424 3.196 20 5 EGBDLO CCOc1ccccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620818 156385216 /nfs/dbraw/zinc/38/52/16/156385216.db2.gz IOUVXKGZRYASEJ-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO CCOc1ccccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620818 156385218 /nfs/dbraw/zinc/38/52/18/156385218.db2.gz IOUVXKGZRYASEJ-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000338931838 163392111 /nfs/dbraw/zinc/39/21/11/163392111.db2.gz SXIWRKIGGHMXHX-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO CCc1ccc([C@H]2COCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000346519693 164390767 /nfs/dbraw/zinc/39/07/67/164390767.db2.gz LEUDAHBSQDEXMM-QGZVFWFLSA-N 1 2 346.383 3.203 20 5 EGBDLO CCc1ccc([C@H]2COCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000346519693 164390768 /nfs/dbraw/zinc/39/07/68/164390768.db2.gz LEUDAHBSQDEXMM-QGZVFWFLSA-N 1 2 346.383 3.203 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](CC2CC2)C1 ZINC000359686823 167209030 /nfs/dbraw/zinc/20/90/30/167209030.db2.gz HKLOFJGWXPCOLZ-CQSZACIVSA-N 1 2 340.383 3.043 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2c(Cl)ncnc2N(C)C)cc1[N+](=O)[O-] ZINC000278553786 268038725 /nfs/dbraw/zinc/03/87/25/268038725.db2.gz HQWDKVNQAFMNLS-NSHDSACASA-N 1 2 349.822 3.263 20 5 EGBDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000069070532 275150916 /nfs/dbraw/zinc/15/09/16/275150916.db2.gz BNLLPYGKQZWTPC-JTQLQIEISA-N 1 2 337.763 3.473 20 5 EGBDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000069070532 275150918 /nfs/dbraw/zinc/15/09/18/275150918.db2.gz BNLLPYGKQZWTPC-JTQLQIEISA-N 1 2 337.763 3.473 20 5 EGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287305775 276106114 /nfs/dbraw/zinc/10/61/14/276106114.db2.gz JEVNLEHCRPDIHJ-AWEZNQCLSA-N 1 2 348.786 3.004 20 5 EGBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287305775 276106116 /nfs/dbraw/zinc/10/61/16/276106116.db2.gz JEVNLEHCRPDIHJ-AWEZNQCLSA-N 1 2 348.786 3.004 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c([N+](=O)[O-])cc1F ZINC000373322911 277376959 /nfs/dbraw/zinc/37/69/59/277376959.db2.gz DDZOVDOHAIJKHC-OAHLLOKOSA-N 1 2 348.378 3.122 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)c([N+](=O)[O-])cc1F ZINC000373322911 277376960 /nfs/dbraw/zinc/37/69/60/277376960.db2.gz DDZOVDOHAIJKHC-OAHLLOKOSA-N 1 2 348.378 3.122 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000105798031 280360757 /nfs/dbraw/zinc/36/07/57/280360757.db2.gz ZXCYWGZFIDZXAP-GOSISDBHSA-N 1 2 345.374 3.219 20 5 EGBDLO CC(C)c1nnc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[nH]1 ZINC000294771416 308255202 /nfs/dbraw/zinc/25/52/02/308255202.db2.gz KGDVDKHOQCNTTG-UHFFFAOYSA-N 1 2 341.371 3.386 20 5 EGBDLO COC[C@@]1(C)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000294848106 308263818 /nfs/dbraw/zinc/26/38/18/308263818.db2.gz ATQAHUDWDAKNPW-SFHVURJKSA-N 1 2 342.399 3.223 20 5 EGBDLO COC(=O)Cc1ccc(NCCCc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000295748283 308356246 /nfs/dbraw/zinc/35/62/46/308356246.db2.gz ZJTHQISNOFXQEA-UHFFFAOYSA-N 1 2 343.383 3.058 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccncc21 ZINC000301616981 308707619 /nfs/dbraw/zinc/70/76/19/308707619.db2.gz AJYZKVRQWMUNHF-CQSZACIVSA-N 1 2 336.351 3.196 20 5 EGBDLO COCCCOC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413169529 309019378 /nfs/dbraw/zinc/01/93/78/309019378.db2.gz XUEUSHOMYLTTPQ-UHFFFAOYSA-N 1 2 345.399 3.165 20 5 EGBDLO CSC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000413178003 309019909 /nfs/dbraw/zinc/01/99/09/309019909.db2.gz SXVUSORVDFRLAI-UHFFFAOYSA-N 1 2 333.413 3.467 20 5 EGBDLO CCC[C@H](C)C(=O)NCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413304906 309025865 /nfs/dbraw/zinc/02/58/65/309025865.db2.gz QPBSSCBELUGTFH-LBPRGKRZSA-N 1 2 330.388 3.107 20 5 EGBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417385812 309203933 /nfs/dbraw/zinc/20/39/33/309203933.db2.gz YBMUSEPGJJBGTN-DLBZAZTESA-N 1 2 346.431 3.068 20 5 EGBDLO C[C@H](N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1(C)CC1 ZINC000450077118 310102231 /nfs/dbraw/zinc/10/22/31/310102231.db2.gz VOODXGPEFMNUMD-LBPRGKRZSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nccc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000450409999 310120766 /nfs/dbraw/zinc/12/07/66/310120766.db2.gz VFEWOARAOTVEIS-CQSZACIVSA-N 1 2 337.383 3.059 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(C)C ZINC000450601575 310132421 /nfs/dbraw/zinc/13/24/21/310132421.db2.gz BKMFKXFEGZFHGM-CYBMUJFWSA-N 1 2 342.399 3.289 20 5 EGBDLO CO[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000450777644 310142164 /nfs/dbraw/zinc/14/21/64/310142164.db2.gz STIZIYNEQSGVEB-LRDDRELGSA-N 1 2 342.399 3.221 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000452334737 310223909 /nfs/dbraw/zinc/22/39/09/310223909.db2.gz NRQYJXZZSZNORX-UHFFFAOYSA-N 1 2 332.385 3.102 20 5 EGBDLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000454369254 310305837 /nfs/dbraw/zinc/30/58/37/310305837.db2.gz SEWUSHMWQPEEKE-ZDUSSCGKSA-N 1 2 328.372 3.167 20 5 EGBDLO Cc1cc(C)c(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000455492025 310363687 /nfs/dbraw/zinc/36/36/87/310363687.db2.gz YXFNZPKTCXBDML-UHFFFAOYSA-N 1 2 343.387 3.149 20 5 EGBDLO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc21 ZINC000456289610 310396811 /nfs/dbraw/zinc/39/68/11/310396811.db2.gz XLZLQEGTRGVANG-HNNXBMFYSA-N 1 2 341.367 3.102 20 5 EGBDLO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000487757449 311036583 /nfs/dbraw/zinc/03/65/83/311036583.db2.gz ATBPNEUKNJMBJK-CQSZACIVSA-N 1 2 336.351 3.196 20 5 EGBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491861847 311193429 /nfs/dbraw/zinc/19/34/29/311193429.db2.gz AHIRJOLCASHFPL-HJWRWDBZSA-N 1 2 348.362 3.110 20 5 EGBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000492392202 311245536 /nfs/dbraw/zinc/24/55/36/311245536.db2.gz NNWSZLSKHMTQOW-TWGQIWQCSA-N 1 2 348.362 3.315 20 5 EGBDLO Cc1cccc(N2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000505609057 312027967 /nfs/dbraw/zinc/02/79/67/312027967.db2.gz MXHZNQHYIMLTER-UHFFFAOYSA-N 1 2 329.375 3.365 20 5 EGBDLO CCOC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506433539 312049221 /nfs/dbraw/zinc/04/92/21/312049221.db2.gz NWCCACMOXBGFOJ-UHFFFAOYSA-N 1 2 334.397 3.318 20 5 EGBDLO CCOC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506433539 312049223 /nfs/dbraw/zinc/04/92/23/312049223.db2.gz NWCCACMOXBGFOJ-UHFFFAOYSA-N 1 2 334.397 3.318 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000510155221 312134733 /nfs/dbraw/zinc/13/47/33/312134733.db2.gz XLOXIPOBUKEVGB-UHFFFAOYSA-N 1 2 341.358 3.399 20 5 EGBDLO CCc1cc(NC[C@@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000519965324 312489340 /nfs/dbraw/zinc/48/93/40/312489340.db2.gz DGXHYTKWTJYLRE-INIZCTEOSA-N 1 2 342.399 3.017 20 5 EGBDLO O=C(c1ccccc1)c1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000532089654 313753399 /nfs/dbraw/zinc/75/33/99/313753399.db2.gz XFCKLOOJQAUEDA-UHFFFAOYSA-N 1 2 348.362 3.084 20 5 EGBDLO CCCN(CC(C)(C)O)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533784899 313933870 /nfs/dbraw/zinc/93/38/70/313933870.db2.gz MJUDRYWIPMSOLE-UHFFFAOYSA-N 1 2 344.415 3.348 20 5 EGBDLO Cc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000538494385 314249843 /nfs/dbraw/zinc/24/98/43/314249843.db2.gz REYACXJXWZMXBX-GOSISDBHSA-N 1 2 326.396 3.347 20 5 EGBDLO Cc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000538494385 314249846 /nfs/dbraw/zinc/24/98/46/314249846.db2.gz REYACXJXWZMXBX-GOSISDBHSA-N 1 2 326.396 3.347 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000539225799 314301614 /nfs/dbraw/zinc/30/16/14/314301614.db2.gz FWCUBBZXNGEIAF-LLVKDONJSA-N 1 2 349.337 3.471 20 5 EGBDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000544468969 314698042 /nfs/dbraw/zinc/69/80/42/314698042.db2.gz QIGOXEZTYSHFEL-LLVKDONJSA-N 1 2 329.360 3.364 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000564569722 316168802 /nfs/dbraw/zinc/16/88/02/316168802.db2.gz LFTHGGLDFXSBFL-UHFFFAOYSA-N 1 2 344.396 3.241 20 5 EGBDLO Cc1oc2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)nc(N)c2c1C ZINC000180399816 323438654 /nfs/dbraw/zinc/43/86/54/323438654.db2.gz ZAPYDQSZGFVAOF-JTQLQIEISA-N 1 2 341.371 3.181 20 5 EGBDLO C[NH+](C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000350545325 324088210 /nfs/dbraw/zinc/08/82/10/324088210.db2.gz WRJXFZVFDYEQTJ-UHFFFAOYSA-N 1 2 340.339 3.079 20 5 EGBDLO O=[N+]([O-])c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000421180300 324312909 /nfs/dbraw/zinc/31/29/09/324312909.db2.gz HAKWXDZEVWOETD-UHFFFAOYSA-N 1 2 328.368 3.006 20 5 EGBDLO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000579469973 325115318 /nfs/dbraw/zinc/11/53/18/325115318.db2.gz XBFJENKSLDSSFX-CYBMUJFWSA-N 1 2 343.221 3.357 20 5 EGBDLO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000579469973 325115323 /nfs/dbraw/zinc/11/53/23/325115323.db2.gz XBFJENKSLDSSFX-CYBMUJFWSA-N 1 2 343.221 3.357 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ncccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000017590782 453636198 /nfs/dbraw/zinc/63/61/98/453636198.db2.gz ANBTWJHDWWCBLQ-CQSZACIVSA-N 1 2 327.319 3.064 20 5 EGBDLO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026372436 453798455 /nfs/dbraw/zinc/79/84/55/453798455.db2.gz UNGLJXWSTSWQJS-NSHDSACASA-N 1 2 342.380 3.362 20 5 EGBDLO CCO[C@@H](C)c1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000076722112 454030532 /nfs/dbraw/zinc/03/05/32/454030532.db2.gz FFMJVXGDHPQMPP-ZDUSSCGKSA-N 1 2 348.403 3.486 20 5 EGBDLO CCO[C@@H](C)c1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000076722112 454030534 /nfs/dbraw/zinc/03/05/34/454030534.db2.gz FFMJVXGDHPQMPP-ZDUSSCGKSA-N 1 2 348.403 3.486 20 5 EGBDLO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056197142 454043211 /nfs/dbraw/zinc/04/32/11/454043211.db2.gz HPOXVRPJWXOBQW-ACJLOTCBSA-N 1 2 339.395 3.265 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438066 454100666 /nfs/dbraw/zinc/10/06/66/454100666.db2.gz YSOPMFLFOPZKKN-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438066 454100669 /nfs/dbraw/zinc/10/06/69/454100669.db2.gz YSOPMFLFOPZKKN-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606899 454114963 /nfs/dbraw/zinc/11/49/63/454114963.db2.gz AHTLSNPJIGBCFU-LBTNJELSSA-N 1 2 345.443 3.036 20 5 EGBDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606899 454114964 /nfs/dbraw/zinc/11/49/64/454114964.db2.gz AHTLSNPJIGBCFU-LBTNJELSSA-N 1 2 345.443 3.036 20 5 EGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000057283040 454117875 /nfs/dbraw/zinc/11/78/75/454117875.db2.gz XVFDMJVHYXRJAN-ZDUSSCGKSA-N 1 2 336.351 3.272 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000045782292 454181730 /nfs/dbraw/zinc/18/17/30/454181730.db2.gz FPGGKXNKPVIUAC-UHFFFAOYSA-N 1 2 338.367 3.073 20 5 EGBDLO Cc1ccc([C@H](CNc2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000071968830 454262699 /nfs/dbraw/zinc/26/26/99/454262699.db2.gz GVHVBUUUKUXXML-IBGZPJMESA-N 1 2 341.411 3.389 20 5 EGBDLO CC(C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000073184270 454404870 /nfs/dbraw/zinc/40/48/70/454404870.db2.gz FFPWGAAUCRHFDF-AWEZNQCLSA-N 1 2 342.399 3.289 20 5 EGBDLO Cc1c(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000048045264 454435605 /nfs/dbraw/zinc/43/56/05/454435605.db2.gz DGEWMYKAHBWPIA-UHFFFAOYSA-N 1 2 333.432 3.126 20 5 EGBDLO Cc1c(C[N@H+](C)CC(=O)N(C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000048045264 454435611 /nfs/dbraw/zinc/43/56/11/454435611.db2.gz DGEWMYKAHBWPIA-UHFFFAOYSA-N 1 2 333.432 3.126 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121749275 454471653 /nfs/dbraw/zinc/47/16/53/454471653.db2.gz DYMJVEOLSKJCSO-UHFFFAOYSA-N 1 2 326.356 3.495 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000104970225 454612235 /nfs/dbraw/zinc/61/22/35/454612235.db2.gz RMVUCMVYYWPRBZ-UHFFFAOYSA-N 1 2 343.387 3.312 20 5 EGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccc1 ZINC000135218735 454649173 /nfs/dbraw/zinc/64/91/73/454649173.db2.gz GUGZYPIZBVCHOF-UHFFFAOYSA-N 1 2 325.368 3.198 20 5 EGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccc1 ZINC000135218735 454649177 /nfs/dbraw/zinc/64/91/77/454649177.db2.gz GUGZYPIZBVCHOF-UHFFFAOYSA-N 1 2 325.368 3.198 20 5 EGBDLO Cc1cccc2[nH+]c(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cn21 ZINC000137020787 454765962 /nfs/dbraw/zinc/76/59/62/454765962.db2.gz SWOHMRIHELNMBF-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO CCn1c(C)cc(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153190154 454768512 /nfs/dbraw/zinc/76/85/12/454768512.db2.gz KDMUJCXPYWECIK-UHFFFAOYSA-N 1 2 341.411 3.274 20 5 EGBDLO CCn1c(C)cc(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153190154 454768515 /nfs/dbraw/zinc/76/85/15/454768515.db2.gz KDMUJCXPYWECIK-UHFFFAOYSA-N 1 2 341.411 3.274 20 5 EGBDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153547377 454805204 /nfs/dbraw/zinc/80/52/04/454805204.db2.gz XYLQJCZLXCIADI-CYBMUJFWSA-N 1 2 331.372 3.345 20 5 EGBDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153547377 454805206 /nfs/dbraw/zinc/80/52/06/454805206.db2.gz XYLQJCZLXCIADI-CYBMUJFWSA-N 1 2 331.372 3.345 20 5 EGBDLO C[C@@H](N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000175570214 455465625 /nfs/dbraw/zinc/46/56/25/455465625.db2.gz NPLWVMAYDLTQPF-GFCCVEGCSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000143025631 454839769 /nfs/dbraw/zinc/83/97/69/454839769.db2.gz SGNZOCDORQRFTG-OAHLLOKOSA-N 1 2 327.812 3.017 20 5 EGBDLO Cc1cccc(O)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179542626 455057325 /nfs/dbraw/zinc/05/73/25/455057325.db2.gz LDMQLOQXRNYWDW-UHFFFAOYSA-N 1 2 338.323 3.047 20 5 EGBDLO CCc1cc(NC[C@H](O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000156663315 455142414 /nfs/dbraw/zinc/14/24/14/455142414.db2.gz QFGVUSZSHYWLJH-HNNXBMFYSA-N 1 2 330.388 3.043 20 5 EGBDLO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Cn1cc[nH+]c1 ZINC000172622027 455165143 /nfs/dbraw/zinc/16/51/43/455165143.db2.gz LDIBYKLMXMWQFA-LLVKDONJSA-N 1 2 344.396 3.072 20 5 EGBDLO COc1ccc(CNc2[nH+]cccc2OC(F)F)cc1[N+](=O)[O-] ZINC000189273642 455167275 /nfs/dbraw/zinc/16/72/75/455167275.db2.gz RHKWLOSDNLXBQT-UHFFFAOYSA-N 1 2 325.271 3.212 20 5 EGBDLO C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000172652147 455168092 /nfs/dbraw/zinc/16/80/92/455168092.db2.gz CTSRXVFMSIXRAI-STQMWFEESA-N 1 2 328.372 3.041 20 5 EGBDLO COC(=O)C1([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000159253278 455364160 /nfs/dbraw/zinc/36/41/60/455364160.db2.gz ACUSPQAWMRYWBM-UHFFFAOYSA-N 1 2 326.780 3.166 20 5 EGBDLO COC(=O)C1([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000159253278 455364164 /nfs/dbraw/zinc/36/41/64/455364164.db2.gz ACUSPQAWMRYWBM-UHFFFAOYSA-N 1 2 326.780 3.166 20 5 EGBDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000175252922 455431053 /nfs/dbraw/zinc/43/10/53/455431053.db2.gz ZYWXFRDKZHCLMH-MNOVXSKESA-N 1 2 334.401 3.038 20 5 EGBDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292330654 455630971 /nfs/dbraw/zinc/63/09/71/455630971.db2.gz OOHAZHOQGRMHPI-UHFFFAOYSA-N 1 2 337.763 3.220 20 5 EGBDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292330654 455630976 /nfs/dbraw/zinc/63/09/76/455630976.db2.gz OOHAZHOQGRMHPI-UHFFFAOYSA-N 1 2 337.763 3.220 20 5 EGBDLO COC(=O)c1cc([C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C ZINC000292562500 455697750 /nfs/dbraw/zinc/69/77/50/455697750.db2.gz IEAFSPNDAUMAEA-NSHDSACASA-N 1 2 332.356 3.476 20 5 EGBDLO COC(=O)c1cc([C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C ZINC000292562500 455697755 /nfs/dbraw/zinc/69/77/55/455697755.db2.gz IEAFSPNDAUMAEA-NSHDSACASA-N 1 2 332.356 3.476 20 5 EGBDLO CC(C)N1CC[NH+](CCCSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193514003 455762372 /nfs/dbraw/zinc/76/23/72/455762372.db2.gz UCENNTGHVLYHNL-UHFFFAOYSA-N 1 2 341.452 3.242 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000186485587 455779739 /nfs/dbraw/zinc/77/97/39/455779739.db2.gz FXHMMTAISKEMKD-UHFFFAOYSA-N 1 2 348.349 3.357 20 5 EGBDLO CO[C@@H](C)c1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285163480 455799057 /nfs/dbraw/zinc/79/90/57/455799057.db2.gz AQYGVTFSJVVFLC-LBPRGKRZSA-N 1 2 335.429 3.433 20 5 EGBDLO CO[C@@H](C)c1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285163480 455799063 /nfs/dbraw/zinc/79/90/63/455799063.db2.gz AQYGVTFSJVVFLC-LBPRGKRZSA-N 1 2 335.429 3.433 20 5 EGBDLO C[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000285579812 455874873 /nfs/dbraw/zinc/87/48/73/455874873.db2.gz KEELKQUAHXQGBT-ZBEGNZNMSA-N 1 2 336.342 3.153 20 5 EGBDLO CS[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296501154 455955995 /nfs/dbraw/zinc/95/59/95/455955995.db2.gz ZGLBZAMXPDQEEA-ONGXEEELSA-N 1 2 343.836 3.013 20 5 EGBDLO CS[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296501154 455955999 /nfs/dbraw/zinc/95/59/99/455955999.db2.gz ZGLBZAMXPDQEEA-ONGXEEELSA-N 1 2 343.836 3.013 20 5 EGBDLO Cc1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000301438361 456116147 /nfs/dbraw/zinc/11/61/47/456116147.db2.gz LDMXQRPXSUGGDA-SFHVURJKSA-N 1 2 341.411 3.389 20 5 EGBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1(F)F ZINC000289949405 456193377 /nfs/dbraw/zinc/19/33/77/456193377.db2.gz VXMLCPYHDWZTNW-VIFPVBQESA-N 1 2 347.749 3.164 20 5 EGBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1(F)F ZINC000289949405 456193378 /nfs/dbraw/zinc/19/33/78/456193378.db2.gz VXMLCPYHDWZTNW-VIFPVBQESA-N 1 2 347.749 3.164 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340193391 456306124 /nfs/dbraw/zinc/30/61/24/456306124.db2.gz WBQIQDADQVANDN-QWHCGFSZSA-N 1 2 336.285 3.012 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340193391 456306127 /nfs/dbraw/zinc/30/61/27/456306127.db2.gz WBQIQDADQVANDN-QWHCGFSZSA-N 1 2 336.285 3.012 20 5 EGBDLO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ncn(C)n1 ZINC000275866202 456336581 /nfs/dbraw/zinc/33/65/81/456336581.db2.gz UTTWXIJADMNZON-NSHDSACASA-N 1 2 343.412 3.303 20 5 EGBDLO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000348548575 456757763 /nfs/dbraw/zinc/75/77/63/456757763.db2.gz QLSOYBROKRANEG-PMEAMLFSSA-N 1 2 336.457 3.230 20 5 EGBDLO CC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000348548575 456757766 /nfs/dbraw/zinc/75/77/66/456757766.db2.gz QLSOYBROKRANEG-PMEAMLFSSA-N 1 2 336.457 3.230 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000292018195 456831048 /nfs/dbraw/zinc/83/10/48/456831048.db2.gz CCDKJOJOGZFIAP-MRXNPFEDSA-N 1 2 345.403 3.133 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000356633119 457093307 /nfs/dbraw/zinc/09/33/07/457093307.db2.gz JWORHWSAPQHCRJ-UHFFFAOYSA-N 1 2 334.401 3.058 20 5 EGBDLO CC[C@@]1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000331923226 457273516 /nfs/dbraw/zinc/27/35/16/457273516.db2.gz MJQPVNSYVCNTKH-KRWDZBQOSA-N 1 2 328.372 3.043 20 5 EGBDLO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332028012 457291751 /nfs/dbraw/zinc/29/17/51/457291751.db2.gz YYYSJSBAJNQCGV-ZYUBPSHWSA-N 1 2 334.416 3.062 20 5 EGBDLO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332028012 457291756 /nfs/dbraw/zinc/29/17/56/457291756.db2.gz YYYSJSBAJNQCGV-ZYUBPSHWSA-N 1 2 334.416 3.062 20 5 EGBDLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425438103 457553690 /nfs/dbraw/zinc/55/36/90/457553690.db2.gz AAXZSMHIJOWNJX-ZWNOBZJWSA-N 1 2 343.221 3.357 20 5 EGBDLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425438103 457553696 /nfs/dbraw/zinc/55/36/96/457553696.db2.gz AAXZSMHIJOWNJX-ZWNOBZJWSA-N 1 2 343.221 3.357 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000361848447 457905116 /nfs/dbraw/zinc/90/51/16/457905116.db2.gz AUKYVIAKUTWKIY-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000361848447 457905118 /nfs/dbraw/zinc/90/51/18/457905118.db2.gz AUKYVIAKUTWKIY-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cn1c[nH+]c2cc(Nc3ncc([N+](=O)[O-])cc3Br)ccc21 ZINC000362265210 458063217 /nfs/dbraw/zinc/06/32/17/458063217.db2.gz FIOUGEMTPPNYMQ-UHFFFAOYSA-N 1 2 348.160 3.383 20 5 EGBDLO CCc1nnc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000362390350 458148177 /nfs/dbraw/zinc/14/81/77/458148177.db2.gz IDWRRPJQKCAHJU-LBPRGKRZSA-N 1 2 346.387 3.145 20 5 EGBDLO Cc1nc(C(C)C)oc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000428471081 458152242 /nfs/dbraw/zinc/15/22/42/458152242.db2.gz UVDWXNYYAKSZMW-UHFFFAOYSA-N 1 2 344.415 3.337 20 5 EGBDLO Cc1c(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000428932114 458234483 /nfs/dbraw/zinc/23/44/83/458234483.db2.gz QALPYSVRQOEWIC-CYBMUJFWSA-N 1 2 332.322 3.445 20 5 EGBDLO Cc1c(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000428932114 458234488 /nfs/dbraw/zinc/23/44/88/458234488.db2.gz QALPYSVRQOEWIC-CYBMUJFWSA-N 1 2 332.322 3.445 20 5 EGBDLO COc1cc[nH+]cc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436244385 458275261 /nfs/dbraw/zinc/27/52/61/458275261.db2.gz YRVSLEGSGHHYGR-UHFFFAOYSA-N 1 2 345.358 3.337 20 5 EGBDLO CC(C)Cn1cc[nH+]c1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436390970 458299021 /nfs/dbraw/zinc/29/90/21/458299021.db2.gz PIHSJLKKLMJYHN-UHFFFAOYSA-N 1 2 343.309 3.473 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000429551730 458343333 /nfs/dbraw/zinc/34/33/33/458343333.db2.gz VXRZAWBJMYVZHU-UHFFFAOYSA-N 1 2 334.807 3.413 20 5 EGBDLO Cc1c(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000373080354 458393520 /nfs/dbraw/zinc/39/35/20/458393520.db2.gz NMBHHDLSHMTAKI-CYBMUJFWSA-N 1 2 343.387 3.048 20 5 EGBDLO CCOC(=O)[C@@H](CC)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000470263826 458625670 /nfs/dbraw/zinc/62/56/70/458625670.db2.gz ODSXJZZBFNTPSC-MNDMWVCDSA-N 1 2 332.400 3.414 20 5 EGBDLO CCOC(=O)[C@@H](CC)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000470263826 458625673 /nfs/dbraw/zinc/62/56/73/458625673.db2.gz ODSXJZZBFNTPSC-MNDMWVCDSA-N 1 2 332.400 3.414 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000440462742 458813021 /nfs/dbraw/zinc/81/30/21/458813021.db2.gz OPJHPZXPMVNPIV-KRWDZBQOSA-N 1 2 348.786 3.008 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000577618730 459061979 /nfs/dbraw/zinc/06/19/79/459061979.db2.gz RIPWPDYHIAHSDA-AWEZNQCLSA-N 1 2 344.415 3.247 20 5 EGBDLO COc1cc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])cc1C ZINC000590570512 459151237 /nfs/dbraw/zinc/15/12/37/459151237.db2.gz WRCKTMOVZGPZJT-UHFFFAOYSA-N 1 2 326.356 3.214 20 5 EGBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000590754380 459205063 /nfs/dbraw/zinc/20/50/63/459205063.db2.gz DDHSDBBVYZVAGY-UHFFFAOYSA-N 1 2 348.790 3.022 20 5 EGBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000590754380 459205069 /nfs/dbraw/zinc/20/50/69/459205069.db2.gz DDHSDBBVYZVAGY-UHFFFAOYSA-N 1 2 348.790 3.022 20 5 EGBDLO Cc1noc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595324468 459276318 /nfs/dbraw/zinc/27/63/18/459276318.db2.gz ABIWKLRGLXDFCP-SWLSCSKDSA-N 1 2 331.372 3.162 20 5 EGBDLO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595324468 459276323 /nfs/dbraw/zinc/27/63/23/459276323.db2.gz ABIWKLRGLXDFCP-SWLSCSKDSA-N 1 2 331.372 3.162 20 5 EGBDLO Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000595398401 459291450 /nfs/dbraw/zinc/29/14/50/459291450.db2.gz VAFIQZRLRSBPCG-LLVKDONJSA-N 1 2 337.763 3.198 20 5 EGBDLO Cc1noc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000595398401 459291456 /nfs/dbraw/zinc/29/14/56/459291456.db2.gz VAFIQZRLRSBPCG-LLVKDONJSA-N 1 2 337.763 3.198 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000595405184 459293145 /nfs/dbraw/zinc/29/31/45/459293145.db2.gz VGNCMBFZPMZAGN-CYBMUJFWSA-N 1 2 345.378 3.109 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000595405184 459293152 /nfs/dbraw/zinc/29/31/52/459293152.db2.gz VGNCMBFZPMZAGN-CYBMUJFWSA-N 1 2 345.378 3.109 20 5 EGBDLO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595802663 459447642 /nfs/dbraw/zinc/44/76/42/459447642.db2.gz IIHDJGQPOHKPIT-AWEZNQCLSA-N 1 2 347.394 3.293 20 5 EGBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000592191937 459547403 /nfs/dbraw/zinc/54/74/03/459547403.db2.gz DQODKHCPMYMPII-GFCCVEGCSA-N 1 2 338.379 3.276 20 5 EGBDLO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000592191937 459547407 /nfs/dbraw/zinc/54/74/07/459547407.db2.gz DQODKHCPMYMPII-GFCCVEGCSA-N 1 2 338.379 3.276 20 5 EGBDLO O=[N+]([O-])c1ccc2c(ccnc2NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000596356573 459606300 /nfs/dbraw/zinc/60/63/00/459606300.db2.gz KBLFEGKQSWHXKM-UHFFFAOYSA-N 1 2 349.394 3.172 20 5 EGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(C)c[nH+]1 ZINC000584039725 459639657 /nfs/dbraw/zinc/63/96/57/459639657.db2.gz NMFJWELJCFKZFJ-UHFFFAOYSA-N 1 2 329.356 3.068 20 5 EGBDLO COC(=O)[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000584176514 459674293 /nfs/dbraw/zinc/67/42/93/459674293.db2.gz LBTRUSFKAZTHPG-ZDUSSCGKSA-N 1 2 329.356 3.144 20 5 EGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593104314 459774084 /nfs/dbraw/zinc/77/40/84/459774084.db2.gz WTCPSRPQYYKFGM-UHFFFAOYSA-N 1 2 347.346 3.487 20 5 EGBDLO COCC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602465945 459951063 /nfs/dbraw/zinc/95/10/63/459951063.db2.gz SONSPXSZOJLSGY-UHFFFAOYSA-N 1 2 349.250 3.277 20 5 EGBDLO COc1cccc(NCCc2cn3cccc(C)c3[nH+]2)c1[N+](=O)[O-] ZINC000613883918 459959576 /nfs/dbraw/zinc/95/95/76/459959576.db2.gz QZQIZCGWQRIQGT-UHFFFAOYSA-N 1 2 326.356 3.214 20 5 EGBDLO Cc1cnc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)s1 ZINC000602548673 459991971 /nfs/dbraw/zinc/99/19/71/459991971.db2.gz VAUDQNSOBMQRLF-UHFFFAOYSA-N 1 2 348.247 3.474 20 5 EGBDLO Cc1nnsc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602674723 460060688 /nfs/dbraw/zinc/06/06/88/460060688.db2.gz YLIMROPATMTSPP-UHFFFAOYSA-N 1 2 332.307 3.063 20 5 EGBDLO CC[C@]1(O)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000602983666 460211660 /nfs/dbraw/zinc/21/16/60/460211660.db2.gz PMUDJMJOVOEASM-AWEZNQCLSA-N 1 2 343.221 3.094 20 5 EGBDLO CC[C@]1(O)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000602983666 460211669 /nfs/dbraw/zinc/21/16/69/460211669.db2.gz PMUDJMJOVOEASM-AWEZNQCLSA-N 1 2 343.221 3.094 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000614923414 460245369 /nfs/dbraw/zinc/24/53/69/460245369.db2.gz ACVVGUFROMJOHC-AWEZNQCLSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000614923414 460245372 /nfs/dbraw/zinc/24/53/72/460245372.db2.gz ACVVGUFROMJOHC-AWEZNQCLSA-N 1 2 348.321 3.147 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]1c1ccccc1)OCCO2 ZINC000610930492 460262490 /nfs/dbraw/zinc/26/24/90/460262490.db2.gz WGDFFJVENBAROD-HNNXBMFYSA-N 1 2 326.352 3.313 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H]1c1ccccc1)OCCO2 ZINC000610930492 460262494 /nfs/dbraw/zinc/26/24/94/460262494.db2.gz WGDFFJVENBAROD-HNNXBMFYSA-N 1 2 326.352 3.313 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599624774 460290460 /nfs/dbraw/zinc/29/04/60/460290460.db2.gz YIMOCWPAFDBMME-JTQLQIEISA-N 1 2 338.314 3.264 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599624774 460290466 /nfs/dbraw/zinc/29/04/66/460290466.db2.gz YIMOCWPAFDBMME-JTQLQIEISA-N 1 2 338.314 3.264 20 5 EGBDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599647779 460298058 /nfs/dbraw/zinc/29/80/58/460298058.db2.gz CSZFHQARMYAPKB-UHFFFAOYSA-N 1 2 338.404 3.074 20 5 EGBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611409163 460358271 /nfs/dbraw/zinc/35/82/71/460358271.db2.gz VXESDPNAXWUQQX-SECBINFHSA-N 1 2 343.343 3.100 20 5 EGBDLO Cc1occc1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560182 460398719 /nfs/dbraw/zinc/39/87/19/460398719.db2.gz AHZSXLLAIRTDAE-INIZCTEOSA-N 1 2 326.356 3.109 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccsc2C1 ZINC000132609864 534298577 /nfs/dbraw/zinc/29/85/77/534298577.db2.gz HOPVNZQTTBEWSE-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccsc2C1 ZINC000132609864 534298580 /nfs/dbraw/zinc/29/85/80/534298580.db2.gz HOPVNZQTTBEWSE-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267020782 538554677 /nfs/dbraw/zinc/55/46/77/538554677.db2.gz KDAYLLFKKOMJKU-CQSZACIVSA-N 1 2 344.390 3.008 20 5 EGBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2C1 ZINC000728833611 574775142 /nfs/dbraw/zinc/77/51/42/574775142.db2.gz IQDXVJYZGZHSKU-UHFFFAOYSA-N 1 2 345.786 3.340 20 5 EGBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2C1 ZINC000728833611 574775144 /nfs/dbraw/zinc/77/51/44/574775144.db2.gz IQDXVJYZGZHSKU-UHFFFAOYSA-N 1 2 345.786 3.340 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000742154519 576752223 /nfs/dbraw/zinc/75/22/23/576752223.db2.gz KVLNOIXEZQOAMT-NXEZZACHSA-N 1 2 331.214 3.022 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000742154519 576752224 /nfs/dbraw/zinc/75/22/24/576752224.db2.gz KVLNOIXEZQOAMT-NXEZZACHSA-N 1 2 331.214 3.022 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744385801 576826864 /nfs/dbraw/zinc/82/68/64/576826864.db2.gz PDMQQKZNHTUFCE-ZDUSSCGKSA-N 1 2 335.404 3.209 20 5 EGBDLO CN(C)c1cc(COC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc[nH+]1 ZINC000767563283 1302711438 /nfs/dbraw/zinc/71/14/38/1302711438.db2.gz RBQOMHSUKPNOCI-UHFFFAOYSA-N 1 2 335.747 3.066 20 5 EGBDLO CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000835656628 1293340291 /nfs/dbraw/zinc/34/02/91/1293340291.db2.gz HQEOTEWXLIOMCS-GFCCVEGCSA-N 1 2 343.261 3.278 20 5 EGBDLO CSCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835815443 1293383371 /nfs/dbraw/zinc/38/33/71/1293383371.db2.gz VWYYUPYNLJUWOD-NSHDSACASA-N 1 2 335.385 3.079 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000121790078 1293389700 /nfs/dbraw/zinc/38/97/00/1293389700.db2.gz LVPDBVVYDHRQSS-KRWDZBQOSA-N 1 2 328.368 3.331 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000121790078 1293389709 /nfs/dbraw/zinc/38/97/09/1293389709.db2.gz LVPDBVVYDHRQSS-KRWDZBQOSA-N 1 2 328.368 3.331 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])c1C ZINC000194611063 1295995721 /nfs/dbraw/zinc/99/57/21/1295995721.db2.gz WHLQAATUEKTWER-UHFFFAOYSA-N 1 2 347.346 3.027 20 5 EGBDLO Cc1[nH]c(CNc2ccc(Br)cc2[N+](=O)[O-])[nH+]c1C ZINC000708975036 1298248380 /nfs/dbraw/zinc/24/83/80/1298248380.db2.gz QJRLXQJUBNKOGW-UHFFFAOYSA-N 1 2 325.166 3.309 20 5 EGBDLO CCCC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746659522 1298634621 /nfs/dbraw/zinc/63/46/21/1298634621.db2.gz WKVNURAGYUKPBY-UHFFFAOYSA-N 1 2 339.823 3.129 20 5 EGBDLO Cc1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC000754496228 1300152062 /nfs/dbraw/zinc/15/20/62/1300152062.db2.gz XRTPFBAIKKLDRO-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000880033520 1300884277 /nfs/dbraw/zinc/88/42/77/1300884277.db2.gz HZCORTJTVHZJOO-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000880033520 1300884295 /nfs/dbraw/zinc/88/42/95/1300884295.db2.gz HZCORTJTVHZJOO-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCOCC4(CCC4)C3)c2c1 ZINC000758973491 1300992734 /nfs/dbraw/zinc/99/27/34/1300992734.db2.gz KKVBMZZVCZECGL-UHFFFAOYSA-N 1 2 349.412 3.332 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CCOCC4(CCC4)C3)c2c1 ZINC000758973491 1300992736 /nfs/dbraw/zinc/99/27/36/1300992736.db2.gz KKVBMZZVCZECGL-UHFFFAOYSA-N 1 2 349.412 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232751 1300994875 /nfs/dbraw/zinc/99/48/75/1300994875.db2.gz FJQFOGDAGWPSHC-QWRGUYRKSA-N 1 2 343.786 3.257 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CF)C1 ZINC000880232751 1300994878 /nfs/dbraw/zinc/99/48/78/1300994878.db2.gz FJQFOGDAGWPSHC-QWRGUYRKSA-N 1 2 343.786 3.257 20 5 EGBDLO O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000761343440 1301445753 /nfs/dbraw/zinc/44/57/53/1301445753.db2.gz GHGFRDISWIBEMH-UHFFFAOYSA-N 1 2 347.334 3.421 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(NCc3ccn4cc[nH+]c4c3)sc2c1 ZINC000761932388 1301569572 /nfs/dbraw/zinc/56/95/72/1301569572.db2.gz NARNAJLQGHTJKB-UHFFFAOYSA-N 1 2 325.353 3.464 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)cc1 ZINC000768148855 1302837964 /nfs/dbraw/zinc/83/79/64/1302837964.db2.gz AHIYPMSELSDASR-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO O=C(OCc1cccc2[nH+]ccn21)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000770922223 1303332321 /nfs/dbraw/zinc/33/23/21/1303332321.db2.gz YZGGOWQMUURTNG-UHFFFAOYSA-N 1 2 336.307 3.081 20 5 EGBDLO O=C(C[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-])c1cccs1 ZINC000886073447 1303347476 /nfs/dbraw/zinc/34/74/76/1303347476.db2.gz VUBGJFGBUDXSDK-ZDUSSCGKSA-N 1 2 331.397 3.289 20 5 EGBDLO O=C(C[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-])c1cccs1 ZINC000886073447 1303347486 /nfs/dbraw/zinc/34/74/86/1303347486.db2.gz VUBGJFGBUDXSDK-ZDUSSCGKSA-N 1 2 331.397 3.289 20 5 EGBDLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886178928 1303387682 /nfs/dbraw/zinc/38/76/82/1303387682.db2.gz IZJSTDPJPWGRMQ-UHFFFAOYSA-N 1 2 343.358 3.224 20 5 EGBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782066836 1304911074 /nfs/dbraw/zinc/91/10/74/1304911074.db2.gz GYMDFKOUIKWEGK-CQSZACIVSA-N 1 2 336.775 3.080 20 5 EGBDLO Cc1cc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000817459388 1319368637 /nfs/dbraw/zinc/36/86/37/1319368637.db2.gz XKIPZHSEXKJEAI-UHFFFAOYSA-N 1 2 335.310 3.015 20 5 EGBDLO Cc1cc(C)c(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])c[nH+]1 ZINC000837100406 1320572443 /nfs/dbraw/zinc/57/24/43/1320572443.db2.gz DUTUQGMCASKANK-UHFFFAOYSA-N 1 2 333.775 3.498 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000852404218 1323187525 /nfs/dbraw/zinc/18/75/25/1323187525.db2.gz LIUMRODMWYGKAU-UHFFFAOYSA-N 1 2 327.340 3.370 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000852404218 1323187530 /nfs/dbraw/zinc/18/75/30/1323187530.db2.gz LIUMRODMWYGKAU-UHFFFAOYSA-N 1 2 327.340 3.370 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000853533469 1325116065 /nfs/dbraw/zinc/11/60/65/1325116065.db2.gz ISDLLYFHKKNBOR-UHFFFAOYSA-N 1 2 349.394 3.178 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](Cn1cnc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000853533469 1325116073 /nfs/dbraw/zinc/11/60/73/1325116073.db2.gz ISDLLYFHKKNBOR-UHFFFAOYSA-N 1 2 349.394 3.178 20 5 EGBDLO C/C=C(\C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039540943 1345136553 /nfs/dbraw/zinc/13/65/53/1345136553.db2.gz AOUUNXXCILXOLF-FURSVLNOSA-N 1 2 343.427 3.126 20 5 EGBDLO C/C=C(\C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039540943 1345136559 /nfs/dbraw/zinc/13/65/59/1345136559.db2.gz AOUUNXXCILXOLF-FURSVLNOSA-N 1 2 343.427 3.126 20 5 EGBDLO O=[N+]([O-])c1cccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001204467832 1370484338 /nfs/dbraw/zinc/48/43/38/1370484338.db2.gz AWUJEGQNWZPGCN-UHFFFAOYSA-N 1 2 343.383 3.049 20 5 EGBDLO Cc1cc[nH+]c(C)c1O[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC001227264316 1375413444 /nfs/dbraw/zinc/41/34/44/1375413444.db2.gz LNRMSRXHCSETHO-ZDUSSCGKSA-N 1 2 331.347 3.403 20 5 EGBDLO O=[N+]([O-])c1cc(NCCCn2cc[nH+]c2)ccc1OC(F)(F)F ZINC001161684904 1382480379 /nfs/dbraw/zinc/48/03/79/1382480379.db2.gz WUGGQOIVFBSUIO-UHFFFAOYSA-N 1 2 330.266 3.192 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCOC[C@@H]2C(C)C)c1F ZINC001173194000 1384934237 /nfs/dbraw/zinc/93/42/37/1384934237.db2.gz WCHHDFDAIBAMJE-IUODEOHRSA-N 1 2 340.395 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCOC[C@@H]2C(C)C)c1F ZINC001173194000 1384934239 /nfs/dbraw/zinc/93/42/39/1384934239.db2.gz WCHHDFDAIBAMJE-IUODEOHRSA-N 1 2 340.395 3.030 20 5 EGBDLO COc1c(O)ccc(CNc2ccc([NH+](C)C)cc2C)c1[N+](=O)[O-] ZINC001333646886 1390364882 /nfs/dbraw/zinc/36/48/82/1390364882.db2.gz UYQKIFCQLCSXKX-UHFFFAOYSA-N 1 2 331.372 3.296 20 5 EGBDLO Cc1cc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)ccc1[N+](=O)[O-] ZINC001346455322 1390941095 /nfs/dbraw/zinc/94/10/95/1390941095.db2.gz MSNAVCGPAUEWJS-UHFFFAOYSA-N 1 2 343.387 3.048 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000173766058 231028088 /nfs/dbraw/zinc/02/80/88/231028088.db2.gz RBMRQMKPDPFEQF-UHFFFAOYSA-N 1 2 345.321 3.116 20 5 EGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000371247961 168578223 /nfs/dbraw/zinc/57/82/23/168578223.db2.gz SFXWVBQKTXQVEO-UHFFFAOYSA-N 1 2 336.351 3.475 20 5 EGBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069217579 215370766 /nfs/dbraw/zinc/37/07/66/215370766.db2.gz XMXTXVSHIRIQTF-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000069217579 215370769 /nfs/dbraw/zinc/37/07/69/215370769.db2.gz XMXTXVSHIRIQTF-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1ccc(NC(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000069252620 215373445 /nfs/dbraw/zinc/37/34/45/215373445.db2.gz BWOHBSVWXYYPSS-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186493709 235922978 /nfs/dbraw/zinc/92/29/78/235922978.db2.gz XYQVQCDOYHDDTO-UHFFFAOYSA-N 1 2 348.349 3.357 20 5 EGBDLO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000072662907 216289962 /nfs/dbraw/zinc/28/99/62/216289962.db2.gz MGPQNVOKNSVXHP-UHFFFAOYSA-N 1 2 348.428 3.132 20 5 EGBDLO Cc1cnc(Nc2ccc([NH+]3CCC(O)CC3)cc2)c([N+](=O)[O-])c1 ZINC000266219201 248181787 /nfs/dbraw/zinc/18/17/87/248181787.db2.gz PTTBMWGDJIOFCN-UHFFFAOYSA-N 1 2 328.372 3.003 20 5 EGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1 ZINC000153248383 224079175 /nfs/dbraw/zinc/07/91/75/224079175.db2.gz RIOKOGHMRNAWOG-UHFFFAOYSA-N 1 2 325.368 3.198 20 5 EGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1 ZINC000153248383 224079177 /nfs/dbraw/zinc/07/91/77/224079177.db2.gz RIOKOGHMRNAWOG-UHFFFAOYSA-N 1 2 325.368 3.198 20 5 EGBDLO COC(=O)c1occc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350194 292039755 /nfs/dbraw/zinc/03/97/55/292039755.db2.gz YMWQJLOXTRNUCW-UHFFFAOYSA-N 1 2 332.356 3.385 20 5 EGBDLO COC(=O)c1occc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350194 292039757 /nfs/dbraw/zinc/03/97/57/292039757.db2.gz YMWQJLOXTRNUCW-UHFFFAOYSA-N 1 2 332.356 3.385 20 5 EGBDLO CCCCc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2[nH+]1 ZINC000344473815 141160516 /nfs/dbraw/zinc/16/05/16/141160516.db2.gz XPFKARNRWIWXJG-UHFFFAOYSA-N 1 2 327.344 3.394 20 5 EGBDLO CC[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000346441894 141195717 /nfs/dbraw/zinc/19/57/17/141195717.db2.gz YHIQLLMZFXTFAS-UONOGXRCSA-N 1 2 328.372 3.005 20 5 EGBDLO CC[C@@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000346441894 141195719 /nfs/dbraw/zinc/19/57/19/141195719.db2.gz YHIQLLMZFXTFAS-UONOGXRCSA-N 1 2 328.372 3.005 20 5 EGBDLO CCc1ccc([C@@H]([NH2+]Cc2cnn(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346472965 141201888 /nfs/dbraw/zinc/20/18/88/141201888.db2.gz YPUHACULJUSSKP-SFHVURJKSA-N 1 2 340.383 3.363 20 5 EGBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000352965443 141279608 /nfs/dbraw/zinc/27/96/08/141279608.db2.gz YJVGSYOUKVTUFN-GOSISDBHSA-N 1 2 340.379 3.257 20 5 EGBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000352965443 141279609 /nfs/dbraw/zinc/27/96/09/141279609.db2.gz YJVGSYOUKVTUFN-GOSISDBHSA-N 1 2 340.379 3.257 20 5 EGBDLO Cn1cc[nH+]c1[C@H](NCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000353439091 141295379 /nfs/dbraw/zinc/29/53/79/141295379.db2.gz HOUHQLZGFCQWPF-QGZVFWFLSA-N 1 2 340.358 3.347 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000353468752 141303829 /nfs/dbraw/zinc/30/38/29/141303829.db2.gz CCXFJMASHZDWDU-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172985380 144032767 /nfs/dbraw/zinc/03/27/67/144032767.db2.gz KBKOSGWHBOVMLO-RYUDHWBXSA-N 1 2 339.355 3.452 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361573905 144330666 /nfs/dbraw/zinc/33/06/66/144330666.db2.gz PFAMOFOHSUMURE-UHFFFAOYSA-N 1 2 340.379 3.356 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361573905 144330668 /nfs/dbraw/zinc/33/06/68/144330668.db2.gz PFAMOFOHSUMURE-UHFFFAOYSA-N 1 2 340.379 3.356 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000361605174 144336908 /nfs/dbraw/zinc/33/69/08/144336908.db2.gz VWPZLWBVVLCYOL-ZDUSSCGKSA-N 1 2 325.368 3.246 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000361605174 144336910 /nfs/dbraw/zinc/33/69/10/144336910.db2.gz VWPZLWBVVLCYOL-ZDUSSCGKSA-N 1 2 325.368 3.246 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346964026 156218545 /nfs/dbraw/zinc/21/85/45/156218545.db2.gz HTJPFSAFFBEITJ-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346964026 156218549 /nfs/dbraw/zinc/21/85/49/156218549.db2.gz HTJPFSAFFBEITJ-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO COc1cc(C[N@@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352618753 156385300 /nfs/dbraw/zinc/38/53/00/156385300.db2.gz UDOGYMYYVOSKCG-OAHLLOKOSA-N 1 2 348.321 3.181 20 5 EGBDLO COc1cc(C[N@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352618753 156385303 /nfs/dbraw/zinc/38/53/03/156385303.db2.gz UDOGYMYYVOSKCG-OAHLLOKOSA-N 1 2 348.321 3.181 20 5 EGBDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000093338347 162003704 /nfs/dbraw/zinc/00/37/04/162003704.db2.gz UMYMUWDDWZCDCP-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OC ZINC000093338347 162003709 /nfs/dbraw/zinc/00/37/09/162003709.db2.gz UMYMUWDDWZCDCP-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO Cn1cccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093584913 162015686 /nfs/dbraw/zinc/01/56/86/162015686.db2.gz DYUCYOAXUWAOBC-UHFFFAOYSA-N 1 2 325.315 3.167 20 5 EGBDLO Cn1cccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093584913 162015689 /nfs/dbraw/zinc/01/56/89/162015689.db2.gz DYUCYOAXUWAOBC-UHFFFAOYSA-N 1 2 325.315 3.167 20 5 EGBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000107904756 162067506 /nfs/dbraw/zinc/06/75/06/162067506.db2.gz PPSNNYMUZYCHLZ-LLVKDONJSA-N 1 2 326.780 3.023 20 5 EGBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000107904756 162067509 /nfs/dbraw/zinc/06/75/09/162067509.db2.gz PPSNNYMUZYCHLZ-LLVKDONJSA-N 1 2 326.780 3.023 20 5 EGBDLO C[N@H+](CCCOc1ccc(F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338898126 163378866 /nfs/dbraw/zinc/37/88/66/163378866.db2.gz FQLTZGTWFUPWGA-UHFFFAOYSA-N 1 2 334.347 3.340 20 5 EGBDLO C[N@@H+](CCCOc1ccc(F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338898126 163378871 /nfs/dbraw/zinc/37/88/71/163378871.db2.gz FQLTZGTWFUPWGA-UHFFFAOYSA-N 1 2 334.347 3.340 20 5 EGBDLO CCc1oc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000338946400 163399721 /nfs/dbraw/zinc/39/97/21/163399721.db2.gz VHNSMKIVBZYVCM-UHFFFAOYSA-N 1 2 332.356 3.169 20 5 EGBDLO CCc1oc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000338946400 163399722 /nfs/dbraw/zinc/39/97/22/163399722.db2.gz VHNSMKIVBZYVCM-UHFFFAOYSA-N 1 2 332.356 3.169 20 5 EGBDLO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1[nH+]ccn1C ZINC000355309566 166160191 /nfs/dbraw/zinc/16/01/91/166160191.db2.gz CUUCXCAPZVQENI-UHFFFAOYSA-N 1 2 326.356 3.220 20 5 EGBDLO CC[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000355585005 166251134 /nfs/dbraw/zinc/25/11/34/166251134.db2.gz LEEYFPKBPOTARS-OAHLLOKOSA-N 1 2 343.383 3.150 20 5 EGBDLO CC[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000355585005 166251135 /nfs/dbraw/zinc/25/11/35/166251135.db2.gz LEEYFPKBPOTARS-OAHLLOKOSA-N 1 2 343.383 3.150 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC000366684534 168129101 /nfs/dbraw/zinc/12/91/01/168129101.db2.gz FMUHKQMPQBXCBQ-CQSZACIVSA-N 1 2 337.383 3.059 20 5 EGBDLO CCc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000174214901 265033277 /nfs/dbraw/zinc/03/32/77/265033277.db2.gz SKVRJGVDUZAGCW-UHFFFAOYSA-N 1 2 338.367 3.043 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3nccs3)CC2)c1 ZINC000274291359 267213320 /nfs/dbraw/zinc/21/33/20/267213320.db2.gz KPUJWOHXGOGDSN-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO Nc1c(F)c(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000274713150 267276242 /nfs/dbraw/zinc/27/62/42/267276242.db2.gz YQVCEKMCVNTZRI-UHFFFAOYSA-N 1 2 345.378 3.314 20 5 EGBDLO CCN(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046599147 275137896 /nfs/dbraw/zinc/13/78/96/275137896.db2.gz SMNUPVHWDHQREL-UHFFFAOYSA-N 1 2 327.384 3.080 20 5 EGBDLO CCN(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046599147 275137898 /nfs/dbraw/zinc/13/78/98/275137898.db2.gz SMNUPVHWDHQREL-UHFFFAOYSA-N 1 2 327.384 3.080 20 5 EGBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(O)c1 ZINC000181550374 275207800 /nfs/dbraw/zinc/20/78/00/275207800.db2.gz UDQPGDYPRBUJQY-LLVKDONJSA-N 1 2 340.339 3.201 20 5 EGBDLO CCc1cc(NCCC[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000278622057 275260058 /nfs/dbraw/zinc/26/00/58/275260058.db2.gz GNWMFZNFOBKDAT-LBPRGKRZSA-N 1 2 330.388 3.187 20 5 EGBDLO CCN(CC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291113786 276591529 /nfs/dbraw/zinc/59/15/29/276591529.db2.gz CGRAWHZCPCNRPZ-UHFFFAOYSA-N 1 2 330.388 3.289 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[NH+]2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000155514099 280245986 /nfs/dbraw/zinc/24/59/86/280245986.db2.gz IOCMNXJVXADQSQ-ZDUSSCGKSA-N 1 2 325.368 3.246 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116755745 281667184 /nfs/dbraw/zinc/66/71/84/281667184.db2.gz PKQUNQGGSVEKRW-UHFFFAOYSA-N 1 2 335.747 3.359 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066847869 307363696 /nfs/dbraw/zinc/36/36/96/307363696.db2.gz TWOZHXNOYLFQAI-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066847869 307363697 /nfs/dbraw/zinc/36/36/97/307363697.db2.gz TWOZHXNOYLFQAI-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000255373467 308048240 /nfs/dbraw/zinc/04/82/40/308048240.db2.gz IMSLDZHJGFKWIL-YHYXMXQVSA-N 1 2 348.362 3.110 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000295364269 308318997 /nfs/dbraw/zinc/31/89/97/308318997.db2.gz CPVCERLSFCYJMZ-ZDUSSCGKSA-N 1 2 348.790 3.205 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000301345345 308697312 /nfs/dbraw/zinc/69/73/12/308697312.db2.gz HNWQMHVXTADNPQ-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301539263 308704429 /nfs/dbraw/zinc/70/44/29/308704429.db2.gz RSDFNIATZQCFHU-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO Cc1ccc([C@H](CNc2cc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000301549213 308704779 /nfs/dbraw/zinc/70/47/79/308704779.db2.gz GFAIDRLFEMUWLQ-KRWDZBQOSA-N 1 2 345.399 3.290 20 5 EGBDLO CC(C)c1nnc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000417349324 309202603 /nfs/dbraw/zinc/20/26/03/309202603.db2.gz KSSUSMZKYBSSDN-HNNXBMFYSA-N 1 2 329.404 3.394 20 5 EGBDLO CO[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417386424 309204013 /nfs/dbraw/zinc/20/40/13/309204013.db2.gz YLCXUBPTQHHWOI-DLBZAZTESA-N 1 2 346.431 3.068 20 5 EGBDLO CC(C)[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000432329744 309657618 /nfs/dbraw/zinc/65/76/18/309657618.db2.gz SVSTVDCRKVRQTB-CQSZACIVSA-N 1 2 327.812 3.017 20 5 EGBDLO Cn1c[nH+]c2cc(Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)ccc21 ZINC000439694890 309838360 /nfs/dbraw/zinc/83/83/60/309838360.db2.gz JMWRVPDJDAQXMJ-UHFFFAOYSA-N 1 2 337.339 3.110 20 5 EGBDLO CCc1nc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000444683438 309925668 /nfs/dbraw/zinc/92/56/68/309925668.db2.gz GOVZDBPQXNWYAD-VIFPVBQESA-N 1 2 331.401 3.341 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3csc(C4CC4)n3)nc2c1 ZINC000446826747 309968586 /nfs/dbraw/zinc/96/85/86/309968586.db2.gz KMCVCBDXEYNRDY-UHFFFAOYSA-N 1 2 329.385 3.095 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CC1CC1)CC1CC1 ZINC000449872805 310091792 /nfs/dbraw/zinc/09/17/92/310091792.db2.gz QMNJJNBNPOKMGD-UHFFFAOYSA-N 1 2 340.383 3.043 20 5 EGBDLO CCN(CCC1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450619668 310133339 /nfs/dbraw/zinc/13/33/39/310133339.db2.gz XOUWRLDUEMGFSD-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455242619 310351789 /nfs/dbraw/zinc/35/17/89/310351789.db2.gz HHOIRLBHPKXKGP-AAEUAGOBSA-N 1 2 329.360 3.236 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000456344943 310400066 /nfs/dbraw/zinc/40/00/66/310400066.db2.gz GDLBBCPJVSYXGF-JTQLQIEISA-N 1 2 334.401 3.024 20 5 EGBDLO Cc1ccc(CNc2[nH+]c3cccc(Cl)c3n2C)cc1[N+](=O)[O-] ZINC000466626612 310655939 /nfs/dbraw/zinc/65/59/39/310655939.db2.gz KZYFZPOHRFKBSG-UHFFFAOYSA-N 1 2 330.775 3.477 20 5 EGBDLO Cc1cc(N2CCOC(C)(C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477166457 310840723 /nfs/dbraw/zinc/84/07/23/310840723.db2.gz NJAYPOGFALCASE-CYBMUJFWSA-N 1 2 342.399 3.364 20 5 EGBDLO CCn1cc[nH+]c1/C=C/C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000492461466 311253568 /nfs/dbraw/zinc/25/35/68/311253568.db2.gz RTBKPBUHVXOWNT-MDZDMXLPSA-N 1 2 340.383 3.016 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000493046440 311321022 /nfs/dbraw/zinc/32/10/22/311321022.db2.gz DJFCXCRENCCSNZ-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000493046440 311321023 /nfs/dbraw/zinc/32/10/23/311321023.db2.gz DJFCXCRENCCSNZ-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)c1 ZINC000510483494 312141242 /nfs/dbraw/zinc/14/12/42/312141242.db2.gz AJNYQMUSSJBJEQ-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO Cc1ccc(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000522048020 312572255 /nfs/dbraw/zinc/57/22/55/312572255.db2.gz LFKOQPIWCRGAIK-UHFFFAOYSA-N 1 2 338.367 3.338 20 5 EGBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000536683303 314138365 /nfs/dbraw/zinc/13/83/65/314138365.db2.gz VLBIYASHRNWNCH-RXNMKEHESA-N 1 2 340.379 3.454 20 5 EGBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000536683303 314138369 /nfs/dbraw/zinc/13/83/69/314138369.db2.gz VLBIYASHRNWNCH-RXNMKEHESA-N 1 2 340.379 3.454 20 5 EGBDLO CCn1cc[nH+]c1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000572489389 317346875 /nfs/dbraw/zinc/34/68/75/317346875.db2.gz RAIZBZBANMZVMG-ZDUSSCGKSA-N 1 2 328.294 3.204 20 5 EGBDLO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000012886000 453420534 /nfs/dbraw/zinc/42/05/34/453420534.db2.gz RAOOGTVTNMJMOX-AWEZNQCLSA-N 1 2 341.839 3.407 20 5 EGBDLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000012889156 453420782 /nfs/dbraw/zinc/42/07/82/453420782.db2.gz RGFQLZYTFVHDRA-GFCCVEGCSA-N 1 2 345.424 3.238 20 5 EGBDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000012889156 453420789 /nfs/dbraw/zinc/42/07/89/453420789.db2.gz RGFQLZYTFVHDRA-GFCCVEGCSA-N 1 2 345.424 3.238 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018174915 453645858 /nfs/dbraw/zinc/64/58/58/453645858.db2.gz BDVGIQDUUUYHFY-UHFFFAOYSA-N 1 2 339.355 3.075 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1[N+](=O)[O-] ZINC000026346659 453797539 /nfs/dbraw/zinc/79/75/39/453797539.db2.gz WMPNZBJQFFFCGT-UHFFFAOYSA-N 1 2 339.395 3.154 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1ccccc1[N+](=O)[O-] ZINC000026346659 453797542 /nfs/dbraw/zinc/79/75/42/453797542.db2.gz WMPNZBJQFFFCGT-UHFFFAOYSA-N 1 2 339.395 3.154 20 5 EGBDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026736895 453804670 /nfs/dbraw/zinc/80/46/70/453804670.db2.gz ATXSVHCLQMIKNT-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026736895 453804673 /nfs/dbraw/zinc/80/46/73/453804673.db2.gz ATXSVHCLQMIKNT-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO O=[N+]([O-])c1sccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000067911684 453979969 /nfs/dbraw/zinc/97/99/69/453979969.db2.gz RHCKKSVEDXJHTP-OAHLLOKOSA-N 1 2 333.413 3.142 20 5 EGBDLO CCc1cc(NC[C@@H](C)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077228649 454078549 /nfs/dbraw/zinc/07/85/49/454078549.db2.gz UXNYFQDDYMBTMU-STQMWFEESA-N 1 2 344.415 3.433 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)CCc3cccc([N+](=O)[O-])c3)ccc2n1C ZINC000087341639 454079106 /nfs/dbraw/zinc/07/91/06/454079106.db2.gz XHBJTXJICREYEL-UHFFFAOYSA-N 1 2 338.367 3.361 20 5 EGBDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088607722 454115617 /nfs/dbraw/zinc/11/56/17/454115617.db2.gz FIWLLCOQHDDCHI-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088607722 454115618 /nfs/dbraw/zinc/11/56/18/454115618.db2.gz FIWLLCOQHDDCHI-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616553 454115885 /nfs/dbraw/zinc/11/58/85/454115885.db2.gz PYMPHXKVIPTELH-RBSFLKMASA-N 1 2 345.443 3.131 20 5 EGBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616553 454115889 /nfs/dbraw/zinc/11/58/89/454115889.db2.gz PYMPHXKVIPTELH-RBSFLKMASA-N 1 2 345.443 3.131 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000119477109 454198934 /nfs/dbraw/zinc/19/89/34/454198934.db2.gz BTISXLVKDFWFSH-QGZVFWFLSA-N 1 2 332.787 3.340 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000119477109 454198939 /nfs/dbraw/zinc/19/89/39/454198939.db2.gz BTISXLVKDFWFSH-QGZVFWFLSA-N 1 2 332.787 3.340 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccsc2C1 ZINC000132749117 454363302 /nfs/dbraw/zinc/36/33/02/454363302.db2.gz ZSOLNQRHTSGWIA-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccsc2C1 ZINC000132749117 454363305 /nfs/dbraw/zinc/36/33/05/454363305.db2.gz ZSOLNQRHTSGWIA-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCc4ccc(F)cc4C3)nc2c1 ZINC000134062629 454498925 /nfs/dbraw/zinc/49/89/25/454498925.db2.gz WQCDPUQDCKRUHL-UHFFFAOYSA-N 1 2 327.315 3.433 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCc4ccc(F)cc4C3)nc2c1 ZINC000134062629 454498931 /nfs/dbraw/zinc/49/89/31/454498931.db2.gz WQCDPUQDCKRUHL-UHFFFAOYSA-N 1 2 327.315 3.433 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000107294459 454750742 /nfs/dbraw/zinc/75/07/42/454750742.db2.gz ZZMXULVSFFRIQH-UHFFFAOYSA-N 1 2 326.356 3.151 20 5 EGBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162695763 454794576 /nfs/dbraw/zinc/79/45/76/454794576.db2.gz BQAHWGDEXXXQPF-UHFFFAOYSA-N 1 2 338.323 3.002 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2c1OCO2)C1CC1 ZINC000154305373 454882854 /nfs/dbraw/zinc/88/28/54/454882854.db2.gz NVOPVTUOJIDZOD-UHFFFAOYSA-N 1 2 326.352 3.488 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc2c1OCO2)C1CC1 ZINC000154305373 454882858 /nfs/dbraw/zinc/88/28/58/454882858.db2.gz NVOPVTUOJIDZOD-UHFFFAOYSA-N 1 2 326.352 3.488 20 5 EGBDLO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1O ZINC000154309012 454883944 /nfs/dbraw/zinc/88/39/44/454883944.db2.gz RWRPLZQCEABWNM-UHFFFAOYSA-N 1 2 328.368 3.474 20 5 EGBDLO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1O ZINC000154309012 454883948 /nfs/dbraw/zinc/88/39/48/454883948.db2.gz RWRPLZQCEABWNM-UHFFFAOYSA-N 1 2 328.368 3.474 20 5 EGBDLO Cc1[nH+]c2ccccn2c1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000151010536 454925765 /nfs/dbraw/zinc/92/57/65/454925765.db2.gz ONXJFRNJOFPQSL-UHFFFAOYSA-N 1 2 333.351 3.463 20 5 EGBDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127782998 454996796 /nfs/dbraw/zinc/99/67/96/454996796.db2.gz CALKWHGJKZLWMK-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127782998 454996800 /nfs/dbraw/zinc/99/68/00/454996800.db2.gz CALKWHGJKZLWMK-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[N@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1[N+](=O)[O-] ZINC000179315568 455031875 /nfs/dbraw/zinc/03/18/75/455031875.db2.gz MHHRCRZZTPOYNW-UHFFFAOYSA-N 1 2 326.400 3.222 20 5 EGBDLO C[N@@H+](Cc1ccc(N2CCCC2)nc1)Cc1ccccc1[N+](=O)[O-] ZINC000179315568 455031878 /nfs/dbraw/zinc/03/18/78/455031878.db2.gz MHHRCRZZTPOYNW-UHFFFAOYSA-N 1 2 326.400 3.222 20 5 EGBDLO CCOC(=O)c1cc(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000180410612 455165078 /nfs/dbraw/zinc/16/50/78/455165078.db2.gz DFKFMJOLSYMBDU-UHFFFAOYSA-N 1 2 344.371 3.081 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C1CC1)C1CCCC1 ZINC000247310635 455586752 /nfs/dbraw/zinc/58/67/52/455586752.db2.gz ILCYHFAQVHXGJM-UHFFFAOYSA-N 1 2 340.383 3.328 20 5 EGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192638699 455658294 /nfs/dbraw/zinc/65/82/94/455658294.db2.gz SKSZGFDHEZSANJ-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192638699 455658301 /nfs/dbraw/zinc/65/83/01/455658301.db2.gz SKSZGFDHEZSANJ-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292420644 455658455 /nfs/dbraw/zinc/65/84/55/455658455.db2.gz VFTSAPBAOUBUOR-ZDUSSCGKSA-N 1 2 331.372 3.264 20 5 EGBDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292420644 455658457 /nfs/dbraw/zinc/65/84/57/455658457.db2.gz VFTSAPBAOUBUOR-ZDUSSCGKSA-N 1 2 331.372 3.264 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1c(C)nc2sccn12 ZINC000268457380 455687427 /nfs/dbraw/zinc/68/74/27/455687427.db2.gz CNSUODSLOBPJBQ-UHFFFAOYSA-N 1 2 346.412 3.253 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000268457380 455687432 /nfs/dbraw/zinc/68/74/32/455687432.db2.gz CNSUODSLOBPJBQ-UHFFFAOYSA-N 1 2 346.412 3.253 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000278231875 455792860 /nfs/dbraw/zinc/79/28/60/455792860.db2.gz MVWAYKREMIMUTJ-UHFFFAOYSA-N 1 2 331.250 3.197 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000278231875 455792865 /nfs/dbraw/zinc/79/28/65/455792865.db2.gz MVWAYKREMIMUTJ-UHFFFAOYSA-N 1 2 331.250 3.197 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(F)c1 ZINC000285654960 455890031 /nfs/dbraw/zinc/89/00/31/455890031.db2.gz SPDPXLTWQHZBMN-CYBMUJFWSA-N 1 2 336.285 3.013 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(F)c1 ZINC000285654960 455890037 /nfs/dbraw/zinc/89/00/37/455890037.db2.gz SPDPXLTWQHZBMN-CYBMUJFWSA-N 1 2 336.285 3.013 20 5 EGBDLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286121840 455982953 /nfs/dbraw/zinc/98/29/53/455982953.db2.gz MGRDAPRRNZHHKG-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286121840 455982956 /nfs/dbraw/zinc/98/29/56/455982956.db2.gz MGRDAPRRNZHHKG-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672401 456011815 /nfs/dbraw/zinc/01/18/15/456011815.db2.gz XKXAXICKJXKUBN-DOMZBBRYSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672401 456011820 /nfs/dbraw/zinc/01/18/20/456011820.db2.gz XKXAXICKJXKUBN-DOMZBBRYSA-N 1 2 331.372 3.249 20 5 EGBDLO Cc1cc(N[C@@H](CCO)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301369002 456100193 /nfs/dbraw/zinc/10/01/93/456100193.db2.gz ROKNMAKXGWDZOV-HNNXBMFYSA-N 1 2 330.388 3.179 20 5 EGBDLO Cc1cc(NC[C@@]2(C)CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301540498 456141713 /nfs/dbraw/zinc/14/17/13/456141713.db2.gz BTBYUJSVCDXEAJ-QGZVFWFLSA-N 1 2 328.372 3.341 20 5 EGBDLO Cc1nc(NCc2[nH+]ccn2CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000301643453 456172233 /nfs/dbraw/zinc/17/22/33/456172233.db2.gz HEKHVHNGTILLMU-UHFFFAOYSA-N 1 2 337.383 3.350 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(Cl)c1 ZINC000302034861 456272995 /nfs/dbraw/zinc/27/29/95/456272995.db2.gz OSXBEGMCXPHIGK-LLVKDONJSA-N 1 2 346.214 3.177 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2C[N@H+](C3CC3)CCO2)c(Cl)c1 ZINC000302034861 456272998 /nfs/dbraw/zinc/27/29/98/456272998.db2.gz OSXBEGMCXPHIGK-LLVKDONJSA-N 1 2 346.214 3.177 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281967072 456376172 /nfs/dbraw/zinc/37/61/72/456376172.db2.gz LJEYHHKWQRPMFH-CQSZACIVSA-N 1 2 345.359 3.451 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2cccc[nH+]2)CC1 ZINC000302786936 456400021 /nfs/dbraw/zinc/40/00/21/456400021.db2.gz WLNGOHPITHBHQH-UHFFFAOYSA-N 1 2 332.791 3.278 20 5 EGBDLO CO[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282123033 456418473 /nfs/dbraw/zinc/41/84/73/456418473.db2.gz AWTKYGFZYPBOFR-JQWIXIFHSA-N 1 2 343.221 3.357 20 5 EGBDLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282123033 456418478 /nfs/dbraw/zinc/41/84/78/456418478.db2.gz AWTKYGFZYPBOFR-JQWIXIFHSA-N 1 2 343.221 3.357 20 5 EGBDLO Cc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)[nH+]1 ZINC000353290548 456615501 /nfs/dbraw/zinc/61/55/01/456615501.db2.gz ACKCIYZVNCBNNM-UHFFFAOYSA-N 1 2 342.355 3.033 20 5 EGBDLO Cn1cc[nH+]c1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000343522608 456681210 /nfs/dbraw/zinc/68/12/10/456681210.db2.gz SMOIYKXCDKUNBK-UHFFFAOYSA-N 1 2 336.351 3.171 20 5 EGBDLO CCc1ccc([C@@H](NCc2c[nH+]cn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000353566548 456766319 /nfs/dbraw/zinc/76/63/19/456766319.db2.gz LYJLETYLVRIFGE-SFHVURJKSA-N 1 2 340.383 3.363 20 5 EGBDLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000353669778 456844340 /nfs/dbraw/zinc/84/43/40/456844340.db2.gz FDYBHHHDZJXYEZ-ZWNOBZJWSA-N 1 2 342.321 3.206 20 5 EGBDLO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000339133009 456956302 /nfs/dbraw/zinc/95/63/02/456956302.db2.gz LRZLWMDSOHWZDG-OAHLLOKOSA-N 1 2 336.775 3.431 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000339247162 457015607 /nfs/dbraw/zinc/01/56/07/457015607.db2.gz QSOZXNKJXWLKHC-SFHVURJKSA-N 1 2 342.395 3.294 20 5 EGBDLO Cc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000360009632 457201191 /nfs/dbraw/zinc/20/11/91/457201191.db2.gz IIBSXONVBURFML-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccoc1 ZINC000342625985 457412215 /nfs/dbraw/zinc/41/22/15/457412215.db2.gz AGGIIYDLFLBJIE-SNVBAGLBSA-N 1 2 337.763 3.300 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccoc1 ZINC000342625985 457412223 /nfs/dbraw/zinc/41/22/23/457412223.db2.gz AGGIIYDLFLBJIE-SNVBAGLBSA-N 1 2 337.763 3.300 20 5 EGBDLO C[NH+](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000356320526 457570566 /nfs/dbraw/zinc/57/05/66/457570566.db2.gz KUORWQWYRVSXIZ-OAHLLOKOSA-N 1 2 349.774 3.195 20 5 EGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1COc2ccccc2O1 ZINC000352744546 457577002 /nfs/dbraw/zinc/57/70/02/457577002.db2.gz OZAQRXUTBPPZOR-AWEZNQCLSA-N 1 2 332.331 3.006 20 5 EGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1COc2ccccc2O1 ZINC000352744546 457577009 /nfs/dbraw/zinc/57/70/09/457577009.db2.gz OZAQRXUTBPPZOR-AWEZNQCLSA-N 1 2 332.331 3.006 20 5 EGBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000374843538 457718725 /nfs/dbraw/zinc/71/87/25/457718725.db2.gz IQFOCKVYMQBDKZ-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000374843538 457718726 /nfs/dbraw/zinc/71/87/26/457718726.db2.gz IQFOCKVYMQBDKZ-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]3c3[nH]cc[nH+]3)co2)cc1 ZINC000374860452 457721525 /nfs/dbraw/zinc/72/15/25/457721525.db2.gz WGVCGIPZNGDWHN-HNNXBMFYSA-N 1 2 339.355 3.310 20 5 EGBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000361468172 457741433 /nfs/dbraw/zinc/74/14/33/457741433.db2.gz IJNWROCPIGCOTG-MRXNPFEDSA-N 1 2 347.802 3.297 20 5 EGBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000361468172 457741437 /nfs/dbraw/zinc/74/14/37/457741437.db2.gz IJNWROCPIGCOTG-MRXNPFEDSA-N 1 2 347.802 3.297 20 5 EGBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000361468171 457741727 /nfs/dbraw/zinc/74/17/27/457741727.db2.gz IJNWROCPIGCOTG-INIZCTEOSA-N 1 2 347.802 3.297 20 5 EGBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000361468171 457741729 /nfs/dbraw/zinc/74/17/29/457741729.db2.gz IJNWROCPIGCOTG-INIZCTEOSA-N 1 2 347.802 3.297 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000361839289 457898622 /nfs/dbraw/zinc/89/86/22/457898622.db2.gz HSNLVEZFTCJMOK-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000361839289 457898626 /nfs/dbraw/zinc/89/86/26/457898626.db2.gz HSNLVEZFTCJMOK-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000375799062 458070615 /nfs/dbraw/zinc/07/06/15/458070615.db2.gz YBHSAFJYFQZNKM-MRXNPFEDSA-N 1 2 332.356 3.030 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000375799062 458070622 /nfs/dbraw/zinc/07/06/22/458070622.db2.gz YBHSAFJYFQZNKM-MRXNPFEDSA-N 1 2 332.356 3.030 20 5 EGBDLO C[C@@H]1CCC[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817392 458347263 /nfs/dbraw/zinc/34/72/63/458347263.db2.gz NZVSESKPUUIJOA-GDBMZVCRSA-N 1 2 333.432 3.418 20 5 EGBDLO O=c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc(C2CC2)[nH]1 ZINC000459371530 458348342 /nfs/dbraw/zinc/34/83/42/458348342.db2.gz TULDBXJQBFSLMQ-UHFFFAOYSA-N 1 2 340.383 3.132 20 5 EGBDLO C[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2[nH+]ccn21 ZINC000456355236 458642469 /nfs/dbraw/zinc/64/24/69/458642469.db2.gz APPFKXWYLPNWTG-JOYOIKCWSA-N 1 2 342.380 3.442 20 5 EGBDLO Cc1c(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000494982599 458778832 /nfs/dbraw/zinc/77/88/32/458778832.db2.gz YGOMMBRJIZAZFP-INIZCTEOSA-N 1 2 329.404 3.433 20 5 EGBDLO CC(C)Oc1nc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000578143571 459153855 /nfs/dbraw/zinc/15/38/55/459153855.db2.gz UPEPPBRVOWTZKL-UKRRQHHQSA-N 1 2 345.403 3.061 20 5 EGBDLO Cc1noc(C[N@H+](C)Cc2cc(Br)cs2)c1[N+](=O)[O-] ZINC000595292146 459267935 /nfs/dbraw/zinc/26/79/35/459267935.db2.gz ZOBOXKINNPZGIG-UHFFFAOYSA-N 1 2 346.206 3.347 20 5 EGBDLO Cc1noc(C[N@@H+](C)Cc2cc(Br)cs2)c1[N+](=O)[O-] ZINC000595292146 459267940 /nfs/dbraw/zinc/26/79/40/459267940.db2.gz ZOBOXKINNPZGIG-UHFFFAOYSA-N 1 2 346.206 3.347 20 5 EGBDLO Cc1noc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595288334 459268081 /nfs/dbraw/zinc/26/80/81/459268081.db2.gz YWUDKYPPBAEYMN-GFCCVEGCSA-N 1 2 337.401 3.134 20 5 EGBDLO Cc1noc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595288334 459268083 /nfs/dbraw/zinc/26/80/83/459268083.db2.gz YWUDKYPPBAEYMN-GFCCVEGCSA-N 1 2 337.401 3.134 20 5 EGBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595380685 459287419 /nfs/dbraw/zinc/28/74/19/459287419.db2.gz RYOBQSPMSOEFRM-UHFFFAOYSA-N 1 2 334.376 3.384 20 5 EGBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595380685 459287422 /nfs/dbraw/zinc/28/74/22/459287422.db2.gz RYOBQSPMSOEFRM-UHFFFAOYSA-N 1 2 334.376 3.384 20 5 EGBDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1onc(C)c1[N+](=O)[O-])CCC2 ZINC000595382955 459288205 /nfs/dbraw/zinc/28/82/05/459288205.db2.gz MDZWZHRGBPKUHU-LLVKDONJSA-N 1 2 336.417 3.420 20 5 EGBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1onc(C)c1[N+](=O)[O-])CCC2 ZINC000595382955 459288209 /nfs/dbraw/zinc/28/82/09/459288209.db2.gz MDZWZHRGBPKUHU-LLVKDONJSA-N 1 2 336.417 3.420 20 5 EGBDLO Cc1cc(N2CC(C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000568591706 459311726 /nfs/dbraw/zinc/31/17/26/459311726.db2.gz LFUFKIIFCXZUDA-UHFFFAOYSA-N 1 2 338.289 3.359 20 5 EGBDLO Cc1cc2ccccc2[nH+]c1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591163552 459327051 /nfs/dbraw/zinc/32/70/51/459327051.db2.gz IGHVRDVXZPBQHR-UHFFFAOYSA-N 1 2 349.394 3.173 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nnc2n1CCCCC2 ZINC000595802716 459447673 /nfs/dbraw/zinc/44/76/73/459447673.db2.gz XLBKKFHASXVBNG-OAHLLOKOSA-N 1 2 347.394 3.293 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2csc(NCCCCn3cc[nH+]c3)n2)cc1 ZINC000573059429 459618312 /nfs/dbraw/zinc/61/83/12/459618312.db2.gz HPKQXVWWRSMORO-UHFFFAOYSA-N 1 2 343.412 3.229 20 5 EGBDLO CC(C)(C)N1C[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000596522586 459665006 /nfs/dbraw/zinc/66/50/06/459665006.db2.gz WCOQGJDDOMPESP-LBPRGKRZSA-N 1 2 342.399 3.202 20 5 EGBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593057626 459758155 /nfs/dbraw/zinc/75/81/55/459758155.db2.gz UZVUBBRGJAAZMH-ZDUSSCGKSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593057626 459758159 /nfs/dbraw/zinc/75/81/59/459758159.db2.gz UZVUBBRGJAAZMH-ZDUSSCGKSA-N 1 2 346.387 3.034 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccnn1CC1CC1)C1CC1 ZINC000596979006 459809058 /nfs/dbraw/zinc/80/90/58/459809058.db2.gz CZMRFDVNJVUSHI-UHFFFAOYSA-N 1 2 326.400 3.366 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccnn1CC1CC1)C1CC1 ZINC000596979006 459809062 /nfs/dbraw/zinc/80/90/62/459809062.db2.gz CZMRFDVNJVUSHI-UHFFFAOYSA-N 1 2 326.400 3.366 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000589103138 460030292 /nfs/dbraw/zinc/03/02/92/460030292.db2.gz CXAFMZKUWGPSAO-UHFFFAOYSA-N 1 2 345.790 3.225 20 5 EGBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000599525652 460267779 /nfs/dbraw/zinc/26/77/79/460267779.db2.gz OQFQDFOQJYJWAF-UHFFFAOYSA-N 1 2 326.400 3.241 20 5 EGBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000599525652 460267782 /nfs/dbraw/zinc/26/77/82/460267782.db2.gz OQFQDFOQJYJWAF-UHFFFAOYSA-N 1 2 326.400 3.241 20 5 EGBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584842 460279967 /nfs/dbraw/zinc/27/99/67/460279967.db2.gz CEHLBOLWAJDLMR-AAEUAGOBSA-N 1 2 340.445 3.456 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584842 460279969 /nfs/dbraw/zinc/27/99/69/460279969.db2.gz CEHLBOLWAJDLMR-AAEUAGOBSA-N 1 2 340.445 3.456 20 5 EGBDLO CCN(C[C@H]1CCOC1)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611133083 460294732 /nfs/dbraw/zinc/29/47/32/460294732.db2.gz ZTWFSQWGFPMIII-CQSZACIVSA-N 1 2 342.399 3.223 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000611270333 460323207 /nfs/dbraw/zinc/32/32/07/460323207.db2.gz AZZXGWNQAUNVTC-XQRVVYSFSA-N 1 2 338.363 3.410 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000611270333 460323212 /nfs/dbraw/zinc/32/32/12/460323212.db2.gz AZZXGWNQAUNVTC-XQRVVYSFSA-N 1 2 338.363 3.410 20 5 EGBDLO Cc1ccncc1[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000611940068 460491511 /nfs/dbraw/zinc/49/15/11/460491511.db2.gz REWMOXWQYJRIRC-GFCCVEGCSA-N 1 2 339.355 3.199 20 5 EGBDLO Cc1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)c([N+](=O)[O-])c1 ZINC000601241102 460763410 /nfs/dbraw/zinc/76/34/10/460763410.db2.gz XLKXDSQUQHELBF-UHFFFAOYSA-N 1 2 344.440 3.464 20 5 EGBDLO Cc1cccn2cc(CCNc3c4c(ccc3[N+](=O)[O-])NCC4)[nH+]c12 ZINC000618155112 461099140 /nfs/dbraw/zinc/09/91/40/461099140.db2.gz GHYBTQVRAOAYOH-UHFFFAOYSA-N 1 2 337.383 3.174 20 5 EGBDLO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000047541414 1291578620 /nfs/dbraw/zinc/57/86/20/1291578620.db2.gz CMMMRRUMYAQHQU-AWEZNQCLSA-N 1 2 332.331 3.006 20 5 EGBDLO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000047541414 1291578627 /nfs/dbraw/zinc/57/86/27/1291578627.db2.gz CMMMRRUMYAQHQU-AWEZNQCLSA-N 1 2 332.331 3.006 20 5 EGBDLO CCc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000746593861 1298621403 /nfs/dbraw/zinc/62/14/03/1298621403.db2.gz IPFFRXWDYWZKLL-INIZCTEOSA-N 1 2 344.415 3.198 20 5 EGBDLO CN(C)c1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000754072395 1300076126 /nfs/dbraw/zinc/07/61/26/1300076126.db2.gz WROGCBMIFXQBHV-UHFFFAOYSA-N 1 2 326.400 3.220 20 5 EGBDLO CN(C)c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000754072395 1300076135 /nfs/dbraw/zinc/07/61/35/1300076135.db2.gz WROGCBMIFXQBHV-UHFFFAOYSA-N 1 2 326.400 3.220 20 5 EGBDLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000755200846 1300299601 /nfs/dbraw/zinc/29/96/01/1300299601.db2.gz ZGSNWSMHNXMALV-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000755200846 1300299607 /nfs/dbraw/zinc/29/96/07/1300299607.db2.gz ZGSNWSMHNXMALV-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[N@H+](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000761522911 1301490789 /nfs/dbraw/zinc/49/07/89/1301490789.db2.gz NIFZBLJGFKXNOR-UHFFFAOYSA-N 1 2 333.819 3.470 20 5 EGBDLO C[N@@H+](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000761522911 1301490793 /nfs/dbraw/zinc/49/07/93/1301490793.db2.gz NIFZBLJGFKXNOR-UHFFFAOYSA-N 1 2 333.819 3.470 20 5 EGBDLO COc1cc(CO[NH+]=C(N)Cc2cccs2)c([N+](=O)[O-])cc1F ZINC000766070220 1302382107 /nfs/dbraw/zinc/38/21/07/1302382107.db2.gz VHXBPYRAEIBAQN-UHFFFAOYSA-N 1 2 339.348 3.045 20 5 EGBDLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cccnc2[N+](=O)[O-])C3)cc1 ZINC000886170001 1303386017 /nfs/dbraw/zinc/38/60/17/1303386017.db2.gz NFBQIBRDCXRYSD-UHFFFAOYSA-N 1 2 349.394 3.042 20 5 EGBDLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C3)cc1 ZINC000886170001 1303386023 /nfs/dbraw/zinc/38/60/23/1303386023.db2.gz NFBQIBRDCXRYSD-UHFFFAOYSA-N 1 2 349.394 3.042 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000775111893 1303911918 /nfs/dbraw/zinc/91/19/18/1303911918.db2.gz PMSMEAFHQCNPGM-UHFFFAOYSA-N 1 2 327.340 3.370 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000775111893 1303911923 /nfs/dbraw/zinc/91/19/23/1303911923.db2.gz PMSMEAFHQCNPGM-UHFFFAOYSA-N 1 2 327.340 3.370 20 5 EGBDLO O=C(c1cccc2[nH+]ccn21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000777038379 1304238010 /nfs/dbraw/zinc/23/80/10/1304238010.db2.gz YMDMNCJRFYQBJE-UHFFFAOYSA-N 1 2 336.351 3.047 20 5 EGBDLO CC(C)(C)[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000790427349 1306323768 /nfs/dbraw/zinc/32/37/68/1306323768.db2.gz HMCYJWOAHMMXPC-KRWDZBQOSA-N 1 2 344.415 3.163 20 5 EGBDLO CC(C)(C)[C@@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000790427349 1306323777 /nfs/dbraw/zinc/32/37/77/1306323777.db2.gz HMCYJWOAHMMXPC-KRWDZBQOSA-N 1 2 344.415 3.163 20 5 EGBDLO Cc1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000790898507 1308882917 /nfs/dbraw/zinc/88/29/17/1308882917.db2.gz AUZLEVPTMUCLRF-UHFFFAOYSA-N 1 2 337.738 3.002 20 5 EGBDLO CC(C)(C)[C@H]1CCC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000794704266 1309577657 /nfs/dbraw/zinc/57/76/57/1309577657.db2.gz FBJDOEOEAMDCMO-JTQLQIEISA-N 1 2 345.241 3.269 20 5 EGBDLO CC(C)(C)[C@H]1CCC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000794704266 1309577663 /nfs/dbraw/zinc/57/76/63/1309577663.db2.gz FBJDOEOEAMDCMO-JTQLQIEISA-N 1 2 345.241 3.269 20 5 EGBDLO Cc1nn(C[N@H+]2CC=C(c3ccc(C)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000798190479 1310314562 /nfs/dbraw/zinc/31/45/62/1310314562.db2.gz DDCRTXBWVYCGEO-UHFFFAOYSA-N 1 2 326.400 3.463 20 5 EGBDLO Cc1nn(C[N@@H+]2CC=C(c3ccc(C)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000798190479 1310314568 /nfs/dbraw/zinc/31/45/68/1310314568.db2.gz DDCRTXBWVYCGEO-UHFFFAOYSA-N 1 2 326.400 3.463 20 5 EGBDLO O=[N+]([O-])CC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000905146943 1317929132 /nfs/dbraw/zinc/92/91/32/1317929132.db2.gz UEVCRBAOBOYZBH-UHFFFAOYSA-N 1 2 331.319 3.195 20 5 EGBDLO Cc1nn(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000811776126 1318261675 /nfs/dbraw/zinc/26/16/75/1318261675.db2.gz AMBVJQNZGOKANA-IAGOWNOFSA-N 1 2 344.415 3.100 20 5 EGBDLO Cc1nn(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000811776126 1318261683 /nfs/dbraw/zinc/26/16/83/1318261683.db2.gz AMBVJQNZGOKANA-IAGOWNOFSA-N 1 2 344.415 3.100 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151834 1319609976 /nfs/dbraw/zinc/60/99/76/1319609976.db2.gz LRONTFXZVPLWKB-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151834 1319609983 /nfs/dbraw/zinc/60/99/83/1319609983.db2.gz LRONTFXZVPLWKB-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO C[N@H+](Cc1ccc2nonc2c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391152 1320010540 /nfs/dbraw/zinc/01/05/40/1320010540.db2.gz IIDFNMKIUMYSIO-UHFFFAOYSA-N 1 2 332.747 3.416 20 5 EGBDLO C[N@@H+](Cc1ccc2nonc2c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391152 1320010542 /nfs/dbraw/zinc/01/05/42/1320010542.db2.gz IIDFNMKIUMYSIO-UHFFFAOYSA-N 1 2 332.747 3.416 20 5 EGBDLO CC(C)O[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000842609935 1321405866 /nfs/dbraw/zinc/40/58/66/1321405866.db2.gz KACHXZJNAIOKEM-CYBMUJFWSA-N 1 2 338.795 3.055 20 5 EGBDLO CC(C)O[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000842609935 1321405869 /nfs/dbraw/zinc/40/58/69/1321405869.db2.gz KACHXZJNAIOKEM-CYBMUJFWSA-N 1 2 338.795 3.055 20 5 EGBDLO Cc1cccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000927098533 1327861524 /nfs/dbraw/zinc/86/15/24/1327861524.db2.gz GAANDTYFENXAIV-UHFFFAOYSA-N 1 2 340.383 3.015 20 5 EGBDLO C/C=C(/C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039540944 1345136768 /nfs/dbraw/zinc/13/67/68/1345136768.db2.gz AOUUNXXCILXOLF-VBZULFJLSA-N 1 2 343.427 3.126 20 5 EGBDLO C/C=C(/C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039540944 1345136772 /nfs/dbraw/zinc/13/67/72/1345136772.db2.gz AOUUNXXCILXOLF-VBZULFJLSA-N 1 2 343.427 3.126 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCCc1c[nH+]cn1C ZINC001122973395 1372351879 /nfs/dbraw/zinc/35/18/79/1372351879.db2.gz DLPMTPGTVUUCJH-OAHLLOKOSA-N 1 2 345.399 3.073 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC001215219625 1373188584 /nfs/dbraw/zinc/18/85/84/1373188584.db2.gz BKWQJFXSADQTBL-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001157226573 1380817134 /nfs/dbraw/zinc/81/71/34/1380817134.db2.gz UCGCLLZPMYPYKP-UHFFFAOYSA-N 1 2 325.303 3.314 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)ncnc2NCc1c[nH+]cn1CC1CCC1 ZINC001161532008 1382432181 /nfs/dbraw/zinc/43/21/81/1382432181.db2.gz YKHACVCYZCTVEK-UHFFFAOYSA-N 1 2 338.371 3.147 20 5 EGBDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001161563210 1382440155 /nfs/dbraw/zinc/44/01/55/1382440155.db2.gz SMVRSLRAHDQBLY-UHFFFAOYSA-N 1 2 345.737 3.260 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167123881 1383545598 /nfs/dbraw/zinc/54/55/98/1383545598.db2.gz MUZIZHQVVXLOKZ-UHFFFAOYSA-N 1 2 342.186 3.335 20 5 EGBDLO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC001320370097 1386590105 /nfs/dbraw/zinc/59/01/05/1386590105.db2.gz LQHGIDSCDVKVQR-UHFFFAOYSA-N 1 2 341.367 3.149 20 5 EGBDLO C[C@@H](OC(=O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001341786327 1390529439 /nfs/dbraw/zinc/52/94/39/1390529439.db2.gz PTYJBSDSGGESAK-CQSZACIVSA-N 1 2 328.368 3.331 20 5 EGBDLO C[C@@H](OC(=O)C[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001341786327 1390529442 /nfs/dbraw/zinc/52/94/42/1390529442.db2.gz PTYJBSDSGGESAK-CQSZACIVSA-N 1 2 328.368 3.331 20 5 EGBDLO CCOc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000368462154 168359599 /nfs/dbraw/zinc/35/95/99/168359599.db2.gz MKMXQTIZCOGOPA-UHFFFAOYSA-N 1 2 344.415 3.158 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000054225602 214224452 /nfs/dbraw/zinc/22/44/52/214224452.db2.gz UAMRPHJAWCKVIH-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO Cc1c([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cnn1C ZINC000183352434 235022660 /nfs/dbraw/zinc/02/26/60/235022660.db2.gz TUFWXUBWZFNONM-NSHDSACASA-N 1 2 341.371 3.143 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(F)(F)F)CC1 ZINC000072801859 216308761 /nfs/dbraw/zinc/30/87/61/216308761.db2.gz OMALBJYZUVQRJM-SNVBAGLBSA-N 1 2 345.321 3.196 20 5 EGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000072058346 284292014 /nfs/dbraw/zinc/29/20/14/284292014.db2.gz CKEIRYVVTVXKOS-UHFFFAOYSA-N 1 2 348.322 3.114 20 5 EGBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000111375417 220148325 /nfs/dbraw/zinc/14/83/25/220148325.db2.gz IIKQMCJTEDIBFO-QWRGUYRKSA-N 1 2 348.428 3.292 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ccsc3C2)c2c(c1)COCO2 ZINC000132954988 285086657 /nfs/dbraw/zinc/08/66/57/285086657.db2.gz WVHNYWZZQHUXGV-UHFFFAOYSA-N 1 2 332.381 3.081 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccsc3C2)c2c(c1)COCO2 ZINC000132954988 285086664 /nfs/dbraw/zinc/08/66/64/285086664.db2.gz WVHNYWZZQHUXGV-UHFFFAOYSA-N 1 2 332.381 3.081 20 5 EGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1n1cc[nH+]c1 ZINC000268260625 141058392 /nfs/dbraw/zinc/05/83/92/141058392.db2.gz MNEYBNPTZGQUQT-SCLBCKFNSA-N 1 2 337.383 3.427 20 5 EGBDLO Cn1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000338107863 141094973 /nfs/dbraw/zinc/09/49/73/141094973.db2.gz UELZYLWNFZGJQQ-UHFFFAOYSA-N 1 2 345.746 3.025 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000347931591 141219488 /nfs/dbraw/zinc/21/94/88/141219488.db2.gz HRUPPFBNVHOKSU-LBPRGKRZSA-N 1 2 326.312 3.041 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)Cc1ccco1 ZINC000175084787 144057784 /nfs/dbraw/zinc/05/77/84/144057784.db2.gz DFJAFFLOBKZFPY-UHFFFAOYSA-N 1 2 334.372 3.235 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)Cc1ccco1 ZINC000175084787 144057786 /nfs/dbraw/zinc/05/77/86/144057786.db2.gz DFJAFFLOBKZFPY-UHFFFAOYSA-N 1 2 334.372 3.235 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000352273990 144322070 /nfs/dbraw/zinc/32/20/70/144322070.db2.gz KPQOSHURUVKAIS-UHFFFAOYSA-N 1 2 326.759 3.146 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195656700 153413667 /nfs/dbraw/zinc/41/36/67/153413667.db2.gz NKJRQMNNPXCEBB-UKRRQHHQSA-N 1 2 342.399 3.337 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000340999749 155120995 /nfs/dbraw/zinc/12/09/95/155120995.db2.gz PGYABUFEIXLRIX-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000340999749 155120998 /nfs/dbraw/zinc/12/09/98/155120998.db2.gz PGYABUFEIXLRIX-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000107904759 162067878 /nfs/dbraw/zinc/06/78/78/162067878.db2.gz PPSNNYMUZYCHLZ-NSHDSACASA-N 1 2 326.780 3.023 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000107904759 162067880 /nfs/dbraw/zinc/06/78/80/162067880.db2.gz PPSNNYMUZYCHLZ-NSHDSACASA-N 1 2 326.780 3.023 20 5 EGBDLO Cc1[nH+]c2ccccc2n1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000345694173 164244738 /nfs/dbraw/zinc/24/47/38/164244738.db2.gz PTTOKYHQBCNDCS-UHFFFAOYSA-N 1 2 335.323 3.351 20 5 EGBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264248787 287136870 /nfs/dbraw/zinc/13/68/70/287136870.db2.gz XKTJKUXDBDQEBU-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000366808191 168142971 /nfs/dbraw/zinc/14/29/71/168142971.db2.gz IMGQEKDQMIXDHT-UHFFFAOYSA-N 1 2 348.790 3.053 20 5 EGBDLO Cc1cc(N2CCC3(CCO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000367151627 168185936 /nfs/dbraw/zinc/18/59/36/168185936.db2.gz AUFAMSJZSCLZJF-UHFFFAOYSA-N 1 2 340.383 3.120 20 5 EGBDLO O=C(c1ccc2[nH+]ccn2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178506972 265322433 /nfs/dbraw/zinc/32/24/33/265322433.db2.gz QQWHKBLMNWZUQX-UHFFFAOYSA-N 1 2 336.351 3.047 20 5 EGBDLO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194969981 266151295 /nfs/dbraw/zinc/15/12/95/266151295.db2.gz NPUDYBRCCSOJMW-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1cc(OC)c(OC)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194969981 266151296 /nfs/dbraw/zinc/15/12/96/266151296.db2.gz NPUDYBRCCSOJMW-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO C[C@@H](c1nccs1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000274273727 267209926 /nfs/dbraw/zinc/20/99/26/267209926.db2.gz BQHWVVMXPRUCCP-KBPBESRZSA-N 1 2 346.456 3.491 20 5 EGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1cn2c([nH+]1)CCCC2 ZINC000278529200 268032335 /nfs/dbraw/zinc/03/23/35/268032335.db2.gz ZXOVMLUKGGORMJ-UHFFFAOYSA-N 1 2 341.293 3.154 20 5 EGBDLO CCc1nnc([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000279086808 275302752 /nfs/dbraw/zinc/30/27/52/275302752.db2.gz NDAQMFZUSUZRBC-IINYFYTJSA-N 1 2 329.404 3.349 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](C)O2 ZINC000279672058 275348680 /nfs/dbraw/zinc/34/86/80/275348680.db2.gz DOEKVZFDVBAQSH-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](C)O2 ZINC000279672058 275348681 /nfs/dbraw/zinc/34/86/81/275348681.db2.gz DOEKVZFDVBAQSH-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO CC(=O)c1cc(NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000283754526 275749446 /nfs/dbraw/zinc/74/94/46/275749446.db2.gz LUHBBCIYOPJTFN-UHFFFAOYSA-N 1 2 328.372 3.497 20 5 EGBDLO Cc1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n(C)n1 ZINC000283894019 275759149 /nfs/dbraw/zinc/75/91/49/275759149.db2.gz JRLSMPOSEOKAQZ-UHFFFAOYSA-N 1 2 343.412 3.050 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000288109454 276183629 /nfs/dbraw/zinc/18/36/29/276183629.db2.gz KOUIOENKMMONCY-UHFFFAOYSA-N 1 2 330.392 3.249 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCc3occc3C2)c2c(c1)COCO2 ZINC000288871721 276262427 /nfs/dbraw/zinc/26/24/27/276262427.db2.gz QNAHGYRLYAAUSS-UHFFFAOYSA-N 1 2 330.340 3.003 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCc3occc3C2)c2c(c1)COCO2 ZINC000288871721 276262428 /nfs/dbraw/zinc/26/24/28/276262428.db2.gz QNAHGYRLYAAUSS-UHFFFAOYSA-N 1 2 330.340 3.003 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCc3occc3C2)cccc1[N+](=O)[O-] ZINC000288913789 276266734 /nfs/dbraw/zinc/26/67/34/276266734.db2.gz UKMFHFLDSPTQNW-ZDUSSCGKSA-N 1 2 343.383 3.272 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCc3occc3C2)cccc1[N+](=O)[O-] ZINC000288913789 276266736 /nfs/dbraw/zinc/26/67/36/276266736.db2.gz UKMFHFLDSPTQNW-ZDUSSCGKSA-N 1 2 343.383 3.272 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000289636152 276370001 /nfs/dbraw/zinc/37/00/01/276370001.db2.gz SDBXSMWBKGJRBU-RDJZCZTQSA-N 1 2 343.383 3.270 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000289636152 276370003 /nfs/dbraw/zinc/37/00/03/276370003.db2.gz SDBXSMWBKGJRBU-RDJZCZTQSA-N 1 2 343.383 3.270 20 5 EGBDLO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135477171 278136146 /nfs/dbraw/zinc/13/61/46/278136146.db2.gz CDULMLUIRNAXRH-NSHDSACASA-N 1 2 343.836 3.014 20 5 EGBDLO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135477171 278136147 /nfs/dbraw/zinc/13/61/47/278136147.db2.gz CDULMLUIRNAXRH-NSHDSACASA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000267479394 290266939 /nfs/dbraw/zinc/26/69/39/290266939.db2.gz XIBKDYVLMAYGNG-NEPJUHHUSA-N 1 2 331.338 3.224 20 5 EGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2[nH+]ccn2c1 ZINC000057782079 307347428 /nfs/dbraw/zinc/34/74/28/307347428.db2.gz PFLRRNPSBOUINI-UHFFFAOYSA-N 1 2 348.265 3.096 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000295915633 308374000 /nfs/dbraw/zinc/37/40/00/308374000.db2.gz OLIIBSLSJNMVPW-CYBMUJFWSA-N 1 2 348.790 3.205 20 5 EGBDLO C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000297797855 308564283 /nfs/dbraw/zinc/56/42/83/308564283.db2.gz XVKXPUVHOZGHGL-SWLSCSKDSA-N 1 2 343.387 3.316 20 5 EGBDLO C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301157708 308690125 /nfs/dbraw/zinc/69/01/25/308690125.db2.gz ASVXYQNVFMMWCD-MNOVXSKESA-N 1 2 347.337 3.135 20 5 EGBDLO Cc1cc(N[C@H](CO)C(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302071787 308727990 /nfs/dbraw/zinc/72/79/90/308727990.db2.gz YVGCMDSQIXGQAQ-CQSZACIVSA-N 1 2 330.388 3.179 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@](O)(C(F)(F)F)C3)c2c1 ZINC000413152475 309018396 /nfs/dbraw/zinc/01/83/96/309018396.db2.gz CQDMUQBSILUBOK-CQSZACIVSA-N 1 2 341.289 3.037 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@](CO)(c4ccccc4)C3)c2c1 ZINC000413293771 309025523 /nfs/dbraw/zinc/02/55/23/309025523.db2.gz CFOUURVITLUZNM-HXUWFJFHSA-N 1 2 349.390 3.283 20 5 EGBDLO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1COC1 ZINC000449428088 310061271 /nfs/dbraw/zinc/06/12/71/310061271.db2.gz UAWXVEKWMMHGOH-UHFFFAOYSA-N 1 2 332.356 3.084 20 5 EGBDLO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1COC1 ZINC000449428088 310061272 /nfs/dbraw/zinc/06/12/72/310061272.db2.gz UAWXVEKWMMHGOH-UHFFFAOYSA-N 1 2 332.356 3.084 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450826617 310144546 /nfs/dbraw/zinc/14/45/46/310144546.db2.gz GKGQWVLAMAKKSU-MFKMUULPSA-N 1 2 330.344 3.004 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000450833440 310144927 /nfs/dbraw/zinc/14/49/27/310144927.db2.gz SZXCMTWPBLHLLX-MRVPVSSYSA-N 1 2 329.282 3.398 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC2(CCC2)C1 ZINC000451323879 310171710 /nfs/dbraw/zinc/17/17/10/310171710.db2.gz WCNSFPADNNHYAA-UHFFFAOYSA-N 1 2 340.383 3.187 20 5 EGBDLO CCN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451373266 310174795 /nfs/dbraw/zinc/17/47/95/310174795.db2.gz ROBHHORRCFRDPW-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CCO2 ZINC000451637074 310190383 /nfs/dbraw/zinc/19/03/83/310190383.db2.gz AOWAYJYPRLQSKJ-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CCO2 ZINC000451637074 310190384 /nfs/dbraw/zinc/19/03/84/310190384.db2.gz AOWAYJYPRLQSKJ-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000451807029 310198311 /nfs/dbraw/zinc/19/83/11/310198311.db2.gz ZYEVAHSBOOQYGD-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000451807029 310198312 /nfs/dbraw/zinc/19/83/12/310198312.db2.gz ZYEVAHSBOOQYGD-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000454212435 310297352 /nfs/dbraw/zinc/29/73/52/310297352.db2.gz KRAHCPDVHURPAC-PELKAZGASA-N 1 2 335.751 3.272 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455366881 310357743 /nfs/dbraw/zinc/35/77/43/310357743.db2.gz YGBQECZTWURMDR-ZWNOBZJWSA-N 1 2 345.359 3.018 20 5 EGBDLO C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2[nH+]ccn21 ZINC000456355230 310400801 /nfs/dbraw/zinc/40/08/01/310400801.db2.gz APPFKXWYLPNWTG-BXKDBHETSA-N 1 2 342.380 3.442 20 5 EGBDLO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccn(C)n1 ZINC000459770607 310574349 /nfs/dbraw/zinc/57/43/49/310574349.db2.gz YVDMPLHVWONSSP-NSHDSACASA-N 1 2 343.412 3.303 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000487423834 311022699 /nfs/dbraw/zinc/02/26/99/311022699.db2.gz BKCINYAWIFEJHB-HNNXBMFYSA-N 1 2 339.395 3.114 20 5 EGBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197544 311135443 /nfs/dbraw/zinc/13/54/43/311135443.db2.gz BLVJNWLOEACINP-RDTXWAMCSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197544 311135444 /nfs/dbraw/zinc/13/54/44/311135444.db2.gz BLVJNWLOEACINP-RDTXWAMCSA-N 1 2 345.443 3.254 20 5 EGBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000491389819 311176811 /nfs/dbraw/zinc/17/68/11/311176811.db2.gz YGXRUKZEVFXJEV-CDNLZTBQSA-N 1 2 326.356 3.085 20 5 EGBDLO Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000535748909 314067839 /nfs/dbraw/zinc/06/78/39/314067839.db2.gz SMPUSYNIZNMFID-NSHDSACASA-N 1 2 349.774 3.088 20 5 EGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000072770366 454338020 /nfs/dbraw/zinc/33/80/20/454338020.db2.gz SKODVZADJQZXDN-AOOOYVTPSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000072770366 454338024 /nfs/dbraw/zinc/33/80/24/454338024.db2.gz SKODVZADJQZXDN-AOOOYVTPSA-N 1 2 343.836 3.013 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000572408155 317334017 /nfs/dbraw/zinc/33/40/17/317334017.db2.gz XEGLFBUQAUMBSV-ZFWWWQNUSA-N 1 2 340.383 3.185 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000572674735 317373515 /nfs/dbraw/zinc/37/35/15/317373515.db2.gz SYVGUBORFSPWCC-LJQANCHMSA-N 1 2 342.395 3.351 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000572674735 317373518 /nfs/dbraw/zinc/37/35/18/317373518.db2.gz SYVGUBORFSPWCC-LJQANCHMSA-N 1 2 342.395 3.351 20 5 EGBDLO Cc1csc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602512804 459975822 /nfs/dbraw/zinc/97/58/22/459975822.db2.gz ZEQTUYWXOZNEHD-UHFFFAOYSA-N 1 2 348.247 3.474 20 5 EGBDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021917982 453684247 /nfs/dbraw/zinc/68/42/47/453684247.db2.gz ASPDZJBOLFCDFV-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000021917982 453684250 /nfs/dbraw/zinc/68/42/50/453684250.db2.gz ASPDZJBOLFCDFV-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161956 453865702 /nfs/dbraw/zinc/86/57/02/453865702.db2.gz GUCBXHFGOMPWMJ-UKRRQHHQSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606902 454114667 /nfs/dbraw/zinc/11/46/67/454114667.db2.gz AHTLSNPJIGBCFU-HBUWYVDXSA-N 1 2 345.443 3.036 20 5 EGBDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606902 454114671 /nfs/dbraw/zinc/11/46/71/454114671.db2.gz AHTLSNPJIGBCFU-HBUWYVDXSA-N 1 2 345.443 3.036 20 5 EGBDLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616568 454116030 /nfs/dbraw/zinc/11/60/30/454116030.db2.gz NQHBTRHBERDATL-AWEZNQCLSA-N 1 2 345.443 3.133 20 5 EGBDLO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616568 454116033 /nfs/dbraw/zinc/11/60/33/454116033.db2.gz NQHBTRHBERDATL-AWEZNQCLSA-N 1 2 345.443 3.133 20 5 EGBDLO O=[N+]([O-])c1ccccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000045909982 454194840 /nfs/dbraw/zinc/19/48/40/454194840.db2.gz OISCEQJZSLUTPB-HNNXBMFYSA-N 1 2 333.413 3.142 20 5 EGBDLO O=[N+]([O-])c1c(NCc2ccccc2-n2cc[nH+]c2)nc2sccn21 ZINC000091506240 454443695 /nfs/dbraw/zinc/44/36/95/454443695.db2.gz OMAQJCRVZOEKJQ-UHFFFAOYSA-N 1 2 340.368 3.102 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000049980547 454566601 /nfs/dbraw/zinc/56/66/01/454566601.db2.gz MCTVCFCMAVERIN-QGZVFWFLSA-N 1 2 345.374 3.219 20 5 EGBDLO Cc1nc(N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000152986519 454750138 /nfs/dbraw/zinc/75/01/38/454750138.db2.gz BERGRTMNVHRCBY-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246289391 455465341 /nfs/dbraw/zinc/46/53/41/455465341.db2.gz BIQRIWJBWYELDN-DYVFJYSZSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246289391 455465343 /nfs/dbraw/zinc/46/53/43/455465343.db2.gz BIQRIWJBWYELDN-DYVFJYSZSA-N 1 2 348.424 3.497 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000126317237 454885174 /nfs/dbraw/zinc/88/51/74/454885174.db2.gz QIQZXERIMMUJHF-IBGZPJMESA-N 1 2 342.395 3.485 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)cc1[N+](=O)[O-] ZINC000126317237 454885176 /nfs/dbraw/zinc/88/51/76/454885176.db2.gz QIQZXERIMMUJHF-IBGZPJMESA-N 1 2 342.395 3.485 20 5 EGBDLO C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000150780260 454891327 /nfs/dbraw/zinc/89/13/27/454891327.db2.gz IVOVQEBODNCZRL-UONOGXRCSA-N 1 2 342.399 3.431 20 5 EGBDLO O=C1CCc2cc([N+](=O)[O-])c(Sc3[nH+]cc4ccccn43)cc2N1 ZINC000170639282 454946124 /nfs/dbraw/zinc/94/61/24/454946124.db2.gz QDFBGDJJMURJBQ-UHFFFAOYSA-N 1 2 340.364 3.278 20 5 EGBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000155111724 454964456 /nfs/dbraw/zinc/96/44/56/454964456.db2.gz ZNQLYWQNPJZDJB-UHFFFAOYSA-N 1 2 345.399 3.155 20 5 EGBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000155111724 454964460 /nfs/dbraw/zinc/96/44/60/454964460.db2.gz ZNQLYWQNPJZDJB-UHFFFAOYSA-N 1 2 345.399 3.155 20 5 EGBDLO O=C(C[N@@H+]1CC[C@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264451828 455216749 /nfs/dbraw/zinc/21/67/49/455216749.db2.gz NANFIUYTGRMSBA-ZDUSSCGKSA-N 1 2 343.358 3.162 20 5 EGBDLO O=C(C[N@H+]1CC[C@H](c2ccccc2F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264451828 455216752 /nfs/dbraw/zinc/21/67/52/455216752.db2.gz NANFIUYTGRMSBA-ZDUSSCGKSA-N 1 2 343.358 3.162 20 5 EGBDLO CC(=O)N1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000182084043 455431558 /nfs/dbraw/zinc/43/15/58/455431558.db2.gz OIFNVVCGCOAANR-UHFFFAOYSA-N 1 2 333.432 3.161 20 5 EGBDLO CC(=O)N1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000182084043 455431565 /nfs/dbraw/zinc/43/15/65/455431565.db2.gz OIFNVVCGCOAANR-UHFFFAOYSA-N 1 2 333.432 3.161 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000160463240 455462532 /nfs/dbraw/zinc/46/25/32/455462532.db2.gz HYBPQBUXORLOBI-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000160463240 455462538 /nfs/dbraw/zinc/46/25/38/455462538.db2.gz HYBPQBUXORLOBI-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267019378 455493031 /nfs/dbraw/zinc/49/30/31/455493031.db2.gz JZOVCRBJYQAVNP-UHFFFAOYSA-N 1 2 338.379 3.288 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000182776556 455584867 /nfs/dbraw/zinc/58/48/67/455584867.db2.gz ITYCAKLYPNNVSY-WFASDCNBSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000182776556 455584874 /nfs/dbraw/zinc/58/48/74/455584874.db2.gz ITYCAKLYPNNVSY-WFASDCNBSA-N 1 2 333.413 3.494 20 5 EGBDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292312213 455625914 /nfs/dbraw/zinc/62/59/14/455625914.db2.gz NKLHEZQHDGOPPI-KBPBESRZSA-N 1 2 333.432 3.062 20 5 EGBDLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635428 455658333 /nfs/dbraw/zinc/65/83/33/455658333.db2.gz BRNNVTPDUJQSMG-AWEZNQCLSA-N 1 2 333.432 3.112 20 5 EGBDLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635428 455658339 /nfs/dbraw/zinc/65/83/39/455658339.db2.gz BRNNVTPDUJQSMG-AWEZNQCLSA-N 1 2 333.432 3.112 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000268364258 455662532 /nfs/dbraw/zinc/66/25/32/455662532.db2.gz IGUUVXMGCGVMLF-RISCZKNCSA-N 1 2 348.790 3.168 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)c2c(c1)COCO2 ZINC000270334649 455930498 /nfs/dbraw/zinc/93/04/98/455930498.db2.gz TUEWURRZBJETHY-UHFFFAOYSA-N 1 2 344.289 3.156 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c2c(c1)COCO2 ZINC000270334649 455930501 /nfs/dbraw/zinc/93/05/01/455930501.db2.gz TUEWURRZBJETHY-UHFFFAOYSA-N 1 2 344.289 3.156 20 5 EGBDLO COc1cc(C[NH2+][C@@H](C)c2c(F)cncc2F)c([N+](=O)[O-])cc1F ZINC000285881857 455934701 /nfs/dbraw/zinc/93/47/01/455934701.db2.gz YSYQFYJCYFJIMS-QMMMGPOBSA-N 1 2 341.289 3.267 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000286323201 456024309 /nfs/dbraw/zinc/02/43/09/456024309.db2.gz ZWDJAXGLDXBPMO-UHFFFAOYSA-N 1 2 331.347 3.439 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000281481739 456246233 /nfs/dbraw/zinc/24/62/33/456246233.db2.gz DFHPTFAXKNLWLX-OAHLLOKOSA-N 1 2 328.372 3.179 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000340191108 456303710 /nfs/dbraw/zinc/30/37/10/456303710.db2.gz HKCYAPTWYLHTEG-QWHCGFSZSA-N 1 2 336.285 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000340191108 456303721 /nfs/dbraw/zinc/30/37/21/456303721.db2.gz HKCYAPTWYLHTEG-QWHCGFSZSA-N 1 2 336.285 3.012 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000281901950 456354207 /nfs/dbraw/zinc/35/42/07/456354207.db2.gz UGQAGAFHTATTIM-OAHLLOKOSA-N 1 2 346.362 3.318 20 5 EGBDLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282123032 456418934 /nfs/dbraw/zinc/41/89/34/456418934.db2.gz AWTKYGFZYPBOFR-CMPLNLGQSA-N 1 2 343.221 3.357 20 5 EGBDLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282123032 456418939 /nfs/dbraw/zinc/41/89/39/456418939.db2.gz AWTKYGFZYPBOFR-CMPLNLGQSA-N 1 2 343.221 3.357 20 5 EGBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283692089 456825592 /nfs/dbraw/zinc/82/55/92/456825592.db2.gz XETODPIEZIIBJG-UHFFFAOYSA-N 1 2 338.379 3.288 20 5 EGBDLO CC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000301244912 456831924 /nfs/dbraw/zinc/83/19/24/456831924.db2.gz KVHCDCKEPSJTNU-BBRMVZONSA-N 1 2 342.399 3.364 20 5 EGBDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339067430 456924455 /nfs/dbraw/zinc/92/44/55/456924455.db2.gz YEEWAVOMYWVUIK-NSHDSACASA-N 1 2 329.356 3.110 20 5 EGBDLO COc1cc[nH+]cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000353850382 456935442 /nfs/dbraw/zinc/93/54/42/456935442.db2.gz WMVBAQRSZVNAQA-SNVBAGLBSA-N 1 2 333.369 3.118 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000339215339 456995689 /nfs/dbraw/zinc/99/56/89/456995689.db2.gz UYZKPVHMBVWESD-QLJPJBMISA-N 1 2 334.397 3.154 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000330811915 457089429 /nfs/dbraw/zinc/08/94/29/457089429.db2.gz NEGHVNQQTABXLX-ZYHUDNBSSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000330811915 457089434 /nfs/dbraw/zinc/08/94/34/457089434.db2.gz NEGHVNQQTABXLX-ZYHUDNBSSA-N 1 2 338.713 3.136 20 5 EGBDLO Cc1cccc2[nH+]c(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cn21 ZINC000347246348 457308727 /nfs/dbraw/zinc/30/87/27/457308727.db2.gz ZJPPCGVSSFPSHA-UHFFFAOYSA-N 1 2 343.318 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)nc2c1 ZINC000332186455 457324253 /nfs/dbraw/zinc/32/42/53/457324253.db2.gz FQJBEATVRWMPTN-VIFPVBQESA-N 1 2 328.294 3.245 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](C(F)(F)F)C3)nc2c1 ZINC000332186455 457324257 /nfs/dbraw/zinc/32/42/57/457324257.db2.gz FQJBEATVRWMPTN-VIFPVBQESA-N 1 2 328.294 3.245 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000347587795 457530461 /nfs/dbraw/zinc/53/04/61/457530461.db2.gz HORXZIAEBHRTJA-UHFFFAOYSA-N 1 2 348.428 3.183 20 5 EGBDLO CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425438099 457554704 /nfs/dbraw/zinc/55/47/04/457554704.db2.gz AAXZSMHIJOWNJX-MFKMUULPSA-N 1 2 343.221 3.357 20 5 EGBDLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425438099 457554711 /nfs/dbraw/zinc/55/47/11/457554711.db2.gz AAXZSMHIJOWNJX-MFKMUULPSA-N 1 2 343.221 3.357 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000364946307 457719363 /nfs/dbraw/zinc/71/93/63/457719363.db2.gz FIEPWDDFWKMCJK-FUHWJXTLSA-N 1 2 346.427 3.288 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000364946307 457719367 /nfs/dbraw/zinc/71/93/67/457719367.db2.gz FIEPWDDFWKMCJK-FUHWJXTLSA-N 1 2 346.427 3.288 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000358030415 457744588 /nfs/dbraw/zinc/74/45/88/457744588.db2.gz GOLXFABRCIKAMX-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000358030415 457744593 /nfs/dbraw/zinc/74/45/93/457744593.db2.gz GOLXFABRCIKAMX-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO COCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCSC1 ZINC000433205484 457778905 /nfs/dbraw/zinc/77/89/05/457778905.db2.gz FKHUZWHXFQRXMB-LLVKDONJSA-N 1 2 346.399 3.217 20 5 EGBDLO COCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCSC1 ZINC000433205484 457778910 /nfs/dbraw/zinc/77/89/10/457778910.db2.gz FKHUZWHXFQRXMB-LLVKDONJSA-N 1 2 346.399 3.217 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361844752 457904199 /nfs/dbraw/zinc/90/41/99/457904199.db2.gz XLPUPPCDKYEPAI-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361844752 457904206 /nfs/dbraw/zinc/90/42/06/457904206.db2.gz XLPUPPCDKYEPAI-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO CC(C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000444528399 457905862 /nfs/dbraw/zinc/90/58/62/457905862.db2.gz XQLPRHJJDDMHTB-OAHLLOKOSA-N 1 2 342.399 3.289 20 5 EGBDLO CC(C)Oc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000412225266 458134560 /nfs/dbraw/zinc/13/45/60/458134560.db2.gz GQBMJHOQSHMMEY-AWEZNQCLSA-N 1 2 344.371 3.082 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2[nH+]ccn21 ZINC000358777377 458211559 /nfs/dbraw/zinc/21/15/59/458211559.db2.gz GVXDATOGAIFAEM-UHFFFAOYSA-N 1 2 330.731 3.077 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000446897653 458243135 /nfs/dbraw/zinc/24/31/35/458243135.db2.gz COOLAJWYCPJUIW-MRXNPFEDSA-N 1 2 347.440 3.450 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cccc(F)c1 ZINC000447800801 458342690 /nfs/dbraw/zinc/34/26/90/458342690.db2.gz XPNAHPFXBODARY-UHFFFAOYSA-N 1 2 345.374 3.178 20 5 EGBDLO Cc1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000447810663 458345798 /nfs/dbraw/zinc/34/57/98/458345798.db2.gz KQFXFZIAZFWUJU-UHFFFAOYSA-N 1 2 341.411 3.348 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1nc2ccccc2o1 ZINC000430209928 458421922 /nfs/dbraw/zinc/42/19/22/458421922.db2.gz ZQHWZAXDSHCIGY-UHFFFAOYSA-N 1 2 327.340 3.377 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000430209928 458421927 /nfs/dbraw/zinc/42/19/27/458421927.db2.gz ZQHWZAXDSHCIGY-UHFFFAOYSA-N 1 2 327.340 3.377 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000430215118 458422685 /nfs/dbraw/zinc/42/26/85/458422685.db2.gz BTWYCXXHVKZVJX-GOSISDBHSA-N 1 2 342.395 3.047 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000430215118 458422691 /nfs/dbraw/zinc/42/26/91/458422691.db2.gz BTWYCXXHVKZVJX-GOSISDBHSA-N 1 2 342.395 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC(C1CC1)C1CC1 ZINC000472349327 458789163 /nfs/dbraw/zinc/78/91/63/458789163.db2.gz LGPFTQGDYQJZSV-UHFFFAOYSA-N 1 2 331.416 3.028 20 5 EGBDLO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC000595297159 459271709 /nfs/dbraw/zinc/27/17/09/459271709.db2.gz PVKHPZNLTBTAGD-UHFFFAOYSA-N 1 2 333.388 3.157 20 5 EGBDLO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC000595297159 459271717 /nfs/dbraw/zinc/27/17/17/459271717.db2.gz PVKHPZNLTBTAGD-UHFFFAOYSA-N 1 2 333.388 3.157 20 5 EGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](C(F)(F)F)O1 ZINC000591150936 459322630 /nfs/dbraw/zinc/32/26/30/459322630.db2.gz VUPYKYQQHKBIII-RNCFNFMXSA-N 1 2 341.289 3.299 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1CNc1ccc3c(c1)CCC[NH2+]3)OCCO2 ZINC000591275513 459345776 /nfs/dbraw/zinc/34/57/76/459345776.db2.gz SVJUPZQQWJIECB-UHFFFAOYSA-N 1 2 341.367 3.336 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000483529004 459374611 /nfs/dbraw/zinc/37/46/11/459374611.db2.gz DVGAUWATPMEUFM-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000483529004 459374614 /nfs/dbraw/zinc/37/46/14/459374614.db2.gz DVGAUWATPMEUFM-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000595759199 459429031 /nfs/dbraw/zinc/42/90/31/459429031.db2.gz JKPFQYXEKMZHSN-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000595759199 459429034 /nfs/dbraw/zinc/42/90/34/459429034.db2.gz JKPFQYXEKMZHSN-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO CCOC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000591842188 459452244 /nfs/dbraw/zinc/45/22/44/459452244.db2.gz YBKUIECKAYDLRR-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1cccn2cc(Cc3nc(Cc4ccccc4[N+](=O)[O-])no3)[nH+]c12 ZINC000544914866 459791236 /nfs/dbraw/zinc/79/12/36/459791236.db2.gz WQOMEHJSOPXIAI-UHFFFAOYSA-N 1 2 349.350 3.116 20 5 EGBDLO CC(C)(C)c1nnc2n1CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000597241036 459891847 /nfs/dbraw/zinc/89/18/47/459891847.db2.gz BXTHYIRQVLZXEJ-VURMDHGXSA-N 1 2 341.415 3.013 20 5 EGBDLO CC(C)(C)c1nnc2n1CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000597241036 459891850 /nfs/dbraw/zinc/89/18/50/459891850.db2.gz BXTHYIRQVLZXEJ-VURMDHGXSA-N 1 2 341.415 3.013 20 5 EGBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609143737 459910301 /nfs/dbraw/zinc/91/03/01/459910301.db2.gz DGCRVNAFLZLBBH-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO CC1(CO)CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602613766 460022084 /nfs/dbraw/zinc/02/20/84/460022084.db2.gz VYZVISZKRUXALU-UHFFFAOYSA-N 1 2 349.250 3.013 20 5 EGBDLO O=C(Nc1ncc(Cl)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610247017 460095796 /nfs/dbraw/zinc/09/57/96/460095796.db2.gz GZKDOPLBWAGWLT-UHFFFAOYSA-N 1 2 349.759 3.143 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc2n1C ZINC000610310372 460116217 /nfs/dbraw/zinc/11/62/17/460116217.db2.gz ZKHCSFBLNJZTQT-UHFFFAOYSA-N 1 2 328.303 3.181 20 5 EGBDLO C[C@@H]1CC[C@@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)O1 ZINC000599177722 460188952 /nfs/dbraw/zinc/18/89/52/460188952.db2.gz VFANNGKLBRVIGJ-YGRLFVJLSA-N 1 2 341.327 3.071 20 5 EGBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610729529 460227486 /nfs/dbraw/zinc/22/74/86/460227486.db2.gz IYGQBEOOLOCQNX-OAHLLOKOSA-N 1 2 341.371 3.115 20 5 EGBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610729529 460227489 /nfs/dbraw/zinc/22/74/89/460227489.db2.gz IYGQBEOOLOCQNX-OAHLLOKOSA-N 1 2 341.371 3.115 20 5 EGBDLO CC1(C)CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000615049385 460268272 /nfs/dbraw/zinc/26/82/72/460268272.db2.gz CEMQOTXBCDMPMM-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO Cc1cc(N(C)[C@H]2CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611133054 460295242 /nfs/dbraw/zinc/29/52/42/460295242.db2.gz VJUXPXDQFWRNMY-AWEZNQCLSA-N 1 2 330.413 3.302 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000615238482 460297621 /nfs/dbraw/zinc/29/76/21/460297621.db2.gz LAEYNFXUMINAIK-UHFFFAOYSA-N 1 2 341.367 3.017 20 5 EGBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000611273762 460325403 /nfs/dbraw/zinc/32/54/03/460325403.db2.gz ICAVXVHDUSNQDP-DJIMGWMZSA-N 1 2 334.416 3.326 20 5 EGBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000611273762 460325407 /nfs/dbraw/zinc/32/54/07/460325407.db2.gz ICAVXVHDUSNQDP-DJIMGWMZSA-N 1 2 334.416 3.326 20 5 EGBDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190039762 534812124 /nfs/dbraw/zinc/81/21/24/534812124.db2.gz KMEMMVVXWHBBTB-SFHVURJKSA-N 1 2 342.351 3.136 20 5 EGBDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190039762 534812128 /nfs/dbraw/zinc/81/21/28/534812128.db2.gz KMEMMVVXWHBBTB-SFHVURJKSA-N 1 2 342.351 3.136 20 5 EGBDLO CC[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000346441892 535850217 /nfs/dbraw/zinc/85/02/17/535850217.db2.gz YHIQLLMZFXTFAS-KBPBESRZSA-N 1 2 328.372 3.005 20 5 EGBDLO CC[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000346441892 535850218 /nfs/dbraw/zinc/85/02/18/535850218.db2.gz YHIQLLMZFXTFAS-KBPBESRZSA-N 1 2 328.372 3.005 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000736803646 576035221 /nfs/dbraw/zinc/03/52/21/576035221.db2.gz QXIIAOSZBWJFGS-UHFFFAOYSA-N 1 2 330.340 3.281 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000741151167 576661224 /nfs/dbraw/zinc/66/12/24/576661224.db2.gz WZGNRUKAAJBZIO-QGZVFWFLSA-N 1 2 328.368 3.331 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000741151167 576661226 /nfs/dbraw/zinc/66/12/26/576661226.db2.gz WZGNRUKAAJBZIO-QGZVFWFLSA-N 1 2 328.368 3.331 20 5 EGBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000047252841 1291568449 /nfs/dbraw/zinc/56/84/49/1291568449.db2.gz UUISXQVVTBZTOO-UHFFFAOYSA-N 1 2 343.412 3.238 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000833690126 1293064956 /nfs/dbraw/zinc/06/49/56/1293064956.db2.gz JDXIFRRQVLODJZ-UHFFFAOYSA-N 1 2 348.428 3.074 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C ZINC000119630530 1293280956 /nfs/dbraw/zinc/28/09/56/1293280956.db2.gz RGYOWUXUSUTOTG-UHFFFAOYSA-N 1 2 349.774 3.199 20 5 EGBDLO CS[C@@H](C)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000835660399 1293341010 /nfs/dbraw/zinc/34/10/10/1293341010.db2.gz FBBCEUWSULYUNK-NSHDSACASA-N 1 2 335.385 3.079 20 5 EGBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1O ZINC000151901657 1293944942 /nfs/dbraw/zinc/94/49/42/1293944942.db2.gz LGVOPOFKYWGCOT-UHFFFAOYSA-N 1 2 338.323 3.047 20 5 EGBDLO Cc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000170922959 1294387455 /nfs/dbraw/zinc/38/74/55/1294387455.db2.gz FHYRBUSMLYUEAQ-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000170922959 1294387460 /nfs/dbraw/zinc/38/74/60/1294387460.db2.gz FHYRBUSMLYUEAQ-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO CC(C)CCOCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194259454 1295962592 /nfs/dbraw/zinc/96/25/92/1295962592.db2.gz NQISGTJXMSJAEZ-UHFFFAOYSA-N 1 2 347.371 3.000 20 5 EGBDLO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000208528218 1296098801 /nfs/dbraw/zinc/09/88/01/1296098801.db2.gz VDKLHWFLJNNIRR-KBPBESRZSA-N 1 2 349.431 3.425 20 5 EGBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000758338179 1300855602 /nfs/dbraw/zinc/85/56/02/1300855602.db2.gz KKIMFHFLVTYAAT-AWEZNQCLSA-N 1 2 349.366 3.167 20 5 EGBDLO Cc1cnc(C2CC[NH+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)s1 ZINC000762173382 1301628550 /nfs/dbraw/zinc/62/85/50/1301628550.db2.gz YLWCVLNJKOMQOL-UHFFFAOYSA-N 1 2 335.433 3.010 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000766154124 1302401500 /nfs/dbraw/zinc/40/15/00/1302401500.db2.gz JLQNIITYDQINOH-UHFFFAOYSA-N 1 2 347.365 3.191 20 5 EGBDLO CCO[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000771935385 1303463352 /nfs/dbraw/zinc/46/33/52/1303463352.db2.gz OMORGHRODZXEGH-LLVKDONJSA-N 1 2 343.221 3.358 20 5 EGBDLO CCO[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000771935385 1303463355 /nfs/dbraw/zinc/46/33/55/1303463355.db2.gz OMORGHRODZXEGH-LLVKDONJSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000889665932 1304554934 /nfs/dbraw/zinc/55/49/34/1304554934.db2.gz BHJREHOOOSBGDD-UHFFFAOYSA-N 1 2 328.372 3.233 20 5 EGBDLO C[NH+](C)[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000780095055 1304638457 /nfs/dbraw/zinc/63/84/57/1304638457.db2.gz VZYBTTFQYYVULQ-INIZCTEOSA-N 1 2 332.331 3.080 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000891631625 1305118445 /nfs/dbraw/zinc/11/84/45/1305118445.db2.gz YJUSCQXRHSCZID-CQSZACIVSA-N 1 2 329.356 3.041 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000891631625 1305118447 /nfs/dbraw/zinc/11/84/47/1305118447.db2.gz YJUSCQXRHSCZID-CQSZACIVSA-N 1 2 329.356 3.041 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CCO)c2cccs2)c(F)c1 ZINC000795988272 1309877752 /nfs/dbraw/zinc/87/77/52/1309877752.db2.gz GYYSZYJCSUDJCD-CYBMUJFWSA-N 1 2 328.340 3.148 20 5 EGBDLO CCn1c[nH+]c2c1CCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000896661033 1309962109 /nfs/dbraw/zinc/96/21/09/1309962109.db2.gz XUEGDVHAZQMGIJ-UHFFFAOYSA-N 1 2 340.305 3.393 20 5 EGBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Cl)n1 ZINC000797589195 1310215707 /nfs/dbraw/zinc/21/57/07/1310215707.db2.gz WNSUHDMKUQQVMB-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC(C)C1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000799673319 1310597206 /nfs/dbraw/zinc/59/72/06/1310597206.db2.gz YANFWTPSKNTBJD-UHFFFAOYSA-N 1 2 329.356 3.374 20 5 EGBDLO O=C(OC[C@@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000806047288 1317453821 /nfs/dbraw/zinc/45/38/21/1317453821.db2.gz ZCDYYLLCFSLNIP-LBPRGKRZSA-N 1 2 347.396 3.081 20 5 EGBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CCCCC1 ZINC000905853221 1318007092 /nfs/dbraw/zinc/00/70/92/1318007092.db2.gz RDSDKGGHBFZMNK-CHWSQXEVSA-N 1 2 344.419 3.498 20 5 EGBDLO C[N@@H+](CC1=CCSC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000853618762 1325134459 /nfs/dbraw/zinc/13/44/59/1325134459.db2.gz MHBGAVCLLFWHMW-UHFFFAOYSA-N 1 2 337.426 3.434 20 5 EGBDLO C[N@H+](CC1=CCSC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000853618762 1325134467 /nfs/dbraw/zinc/13/44/67/1325134467.db2.gz MHBGAVCLLFWHMW-UHFFFAOYSA-N 1 2 337.426 3.434 20 5 EGBDLO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ncnn21 ZINC000926302023 1325508803 /nfs/dbraw/zinc/50/88/03/1325508803.db2.gz HSJPBEJMNICGQR-PELKAZGASA-N 1 2 341.293 3.001 20 5 EGBDLO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)on1 ZINC000926303498 1325508918 /nfs/dbraw/zinc/50/89/18/1325508918.db2.gz MFHHHCLVOOJHKX-QMMMGPOBSA-N 1 2 345.277 3.461 20 5 EGBDLO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ncnn21 ZINC000926302029 1325508985 /nfs/dbraw/zinc/50/89/85/1325508985.db2.gz HSJPBEJMNICGQR-UFBFGSQYSA-N 1 2 341.293 3.001 20 5 EGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC000927111687 1327870739 /nfs/dbraw/zinc/87/07/39/1327870739.db2.gz GECSROJWNXBEHQ-GFCCVEGCSA-N 1 2 344.415 3.455 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861347177 1329410996 /nfs/dbraw/zinc/41/09/96/1329410996.db2.gz GYBNLSYLRDIJGE-LLVKDONJSA-N 1 2 348.790 3.002 20 5 EGBDLO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1cn[nH]n1 ZINC001189351804 1367000002 /nfs/dbraw/zinc/00/00/02/1367000002.db2.gz MQVJRUYMYJIILK-UHFFFAOYSA-N 1 2 346.394 3.133 20 5 EGBDLO O=[N+]([O-])c1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cn1 ZINC001203569209 1370172383 /nfs/dbraw/zinc/17/23/83/1370172383.db2.gz YBWBQFABXFMAQM-UHFFFAOYSA-N 1 2 334.133 3.144 20 5 EGBDLO Nc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1[N+](=O)[O-] ZINC001209933996 1372236424 /nfs/dbraw/zinc/23/64/24/1372236424.db2.gz JAFOWDOZVDVBQE-UHFFFAOYSA-N 1 2 348.160 3.331 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225435491 1375110230 /nfs/dbraw/zinc/11/02/30/1375110230.db2.gz ROSFZFNHNOJEIP-NWDGAFQWSA-N 1 2 348.790 3.253 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225435491 1375110232 /nfs/dbraw/zinc/11/02/32/1375110232.db2.gz ROSFZFNHNOJEIP-NWDGAFQWSA-N 1 2 348.790 3.253 20 5 EGBDLO CC(C)Oc1nc(NCc2c[nH+]cn2CC2CCC2)ccc1[N+](=O)[O-] ZINC001161536170 1382433843 /nfs/dbraw/zinc/43/38/43/1382433843.db2.gz WWWALRIHOBZKOK-UHFFFAOYSA-N 1 2 345.403 3.386 20 5 EGBDLO CC(C)(C)c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c([N+](=O)[O-])c1 ZINC001168373152 1383887573 /nfs/dbraw/zinc/88/75/73/1383887573.db2.gz RBIVNRQINLKZMY-CQSZACIVSA-N 1 2 333.432 3.167 20 5 EGBDLO CC(C)(C)c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)c([N+](=O)[O-])c1 ZINC001168373152 1383887576 /nfs/dbraw/zinc/88/75/76/1383887576.db2.gz RBIVNRQINLKZMY-CQSZACIVSA-N 1 2 333.432 3.167 20 5 EGBDLO COc1c(F)cc(NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC001169004801 1384085287 /nfs/dbraw/zinc/08/52/87/1384085287.db2.gz RFFXVCGVFOAGKB-UHFFFAOYSA-N 1 2 330.319 3.045 20 5 EGBDLO CCCCOC(=O)[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901182 1384874299 /nfs/dbraw/zinc/87/42/99/1384874299.db2.gz KLDFFJVRGYJOSY-BBRMVZONSA-N 1 2 334.416 3.164 20 5 EGBDLO Cc1nc([C@H]2CCCC[N@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173226051 1384939797 /nfs/dbraw/zinc/93/97/97/1384939797.db2.gz HGDCQCCXNCXUGU-MLGOLLRUSA-N 1 2 330.388 3.444 20 5 EGBDLO Cc1nc([C@H]2CCCC[N@@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173226051 1384939814 /nfs/dbraw/zinc/93/98/14/1384939814.db2.gz HGDCQCCXNCXUGU-MLGOLLRUSA-N 1 2 330.388 3.444 20 5 EGBDLO O=[N+]([O-])c1ccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC001174478722 1385112799 /nfs/dbraw/zinc/11/27/99/1385112799.db2.gz XRZLDAXIHMJUQF-UHFFFAOYSA-N 1 2 343.383 3.049 20 5 EGBDLO O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC001329504340 1389136063 /nfs/dbraw/zinc/13/60/63/1389136063.db2.gz OHSPGBFQQUINAR-UHFFFAOYSA-N 1 2 337.335 3.197 20 5 EGBDLO COc1c(C)c[nH+]c(CSCCn2c(C)ncc2[N+](=O)[O-])c1C ZINC001332216288 1390046989 /nfs/dbraw/zinc/04/69/89/1390046989.db2.gz HIUSCSHFNYKDAM-UHFFFAOYSA-N 1 2 336.417 3.054 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nnc([C@H]3CCCCO3)o2)ccc1-n1cc[nH+]c1 ZINC001345577261 1390866605 /nfs/dbraw/zinc/86/66/05/1390866605.db2.gz FMDWTGBRJDGLBE-CQSZACIVSA-N 1 2 341.327 3.072 20 5 EGBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn21 ZINC000068571588 215319632 /nfs/dbraw/zinc/31/96/32/215319632.db2.gz CERZRWUOZLQJBI-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000036764947 213116959 /nfs/dbraw/zinc/11/69/59/213116959.db2.gz GLHRILDUINEICC-GXTWGEPZSA-N 1 2 328.372 3.089 20 5 EGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1[N+](=O)[O-] ZINC000022288987 212287655 /nfs/dbraw/zinc/28/76/55/212287655.db2.gz CVQXASLCDGWLCO-UHFFFAOYSA-N 1 2 346.412 3.290 20 5 EGBDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000353198810 284387266 /nfs/dbraw/zinc/38/72/66/284387266.db2.gz IICMSCXYLZXZKF-OAHLLOKOSA-N 1 2 333.432 3.380 20 5 EGBDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000353198810 284387268 /nfs/dbraw/zinc/38/72/68/284387268.db2.gz IICMSCXYLZXZKF-OAHLLOKOSA-N 1 2 333.432 3.380 20 5 EGBDLO Cc1ccnc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000265199358 247291020 /nfs/dbraw/zinc/29/10/20/247291020.db2.gz MKSIFMCGAYZVIC-BETUJISGSA-N 1 2 343.387 3.050 20 5 EGBDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266524009 248344757 /nfs/dbraw/zinc/34/47/57/248344757.db2.gz JUXQCZCESMSVHP-CVEARBPZSA-N 1 2 340.427 3.430 20 5 EGBDLO C[C@H](c1cccnc1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266524009 248344758 /nfs/dbraw/zinc/34/47/58/248344758.db2.gz JUXQCZCESMSVHP-CVEARBPZSA-N 1 2 340.427 3.430 20 5 EGBDLO Cc1occc1C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000097270859 219007261 /nfs/dbraw/zinc/00/72/61/219007261.db2.gz PHIXYBCUTJBNTF-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO Cc1occc1C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000097270859 219007263 /nfs/dbraw/zinc/00/72/63/219007263.db2.gz PHIXYBCUTJBNTF-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c(F)c1 ZINC000351876395 144319103 /nfs/dbraw/zinc/31/91/03/144319103.db2.gz NKEGKQCGXOBJEV-SFHVURJKSA-N 1 2 348.349 3.355 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)[C@H]2CCc3ccccc32)c(F)c1 ZINC000351876395 144319105 /nfs/dbraw/zinc/31/91/05/144319105.db2.gz NKEGKQCGXOBJEV-SFHVURJKSA-N 1 2 348.349 3.355 20 5 EGBDLO COc1cccc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000361616775 144338086 /nfs/dbraw/zinc/33/80/86/144338086.db2.gz PMMIGQJETWBDOR-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1cccc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC000361616775 144338088 /nfs/dbraw/zinc/33/80/88/144338088.db2.gz PMMIGQJETWBDOR-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109783373 162111624 /nfs/dbraw/zinc/11/16/24/162111624.db2.gz FVSHAFKSKLEGPE-ZDUSSCGKSA-N 1 2 343.383 3.240 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109783373 162111626 /nfs/dbraw/zinc/11/16/26/162111626.db2.gz FVSHAFKSKLEGPE-ZDUSSCGKSA-N 1 2 343.383 3.240 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000338509127 163252392 /nfs/dbraw/zinc/25/23/92/163252392.db2.gz GVRYQOSJKBOUIB-UHFFFAOYSA-N 1 2 339.351 3.218 20 5 EGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000355310453 166160245 /nfs/dbraw/zinc/16/02/45/166160245.db2.gz LOXLVOGDPJQQCT-UHFFFAOYSA-N 1 2 337.339 3.069 20 5 EGBDLO C[NH+](C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000355830128 166322053 /nfs/dbraw/zinc/32/20/53/166322053.db2.gz DXOHCQAWFMUEEU-HNNXBMFYSA-N 1 2 333.775 3.490 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000359522998 167178407 /nfs/dbraw/zinc/17/84/07/167178407.db2.gz RYYXKMXBHHUKJQ-CYBMUJFWSA-N 1 2 342.729 3.350 20 5 EGBDLO Cc1cc(N(C)Cc2[nH+]ccn2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359845359 167247868 /nfs/dbraw/zinc/24/78/68/167247868.db2.gz UBXTUWYMSHNAGT-UHFFFAOYSA-N 1 2 328.294 3.292 20 5 EGBDLO Cc1cc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365791064 168043096 /nfs/dbraw/zinc/04/30/96/168043096.db2.gz VFIHZJDVLUKROD-CYBMUJFWSA-N 1 2 343.387 3.048 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC2(CCC2)C1 ZINC000123363041 222263993 /nfs/dbraw/zinc/26/39/93/222263993.db2.gz CPPYZQUPFUEOSY-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC2(CCC2)C1 ZINC000123363041 222263996 /nfs/dbraw/zinc/26/39/96/222263996.db2.gz CPPYZQUPFUEOSY-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cn3ccsc3n2)C2CC2)cc1 ZINC000179519973 265382068 /nfs/dbraw/zinc/38/20/68/265382068.db2.gz LUNMKVHDSJBDKS-UHFFFAOYSA-N 1 2 328.397 3.469 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cn3ccsc3n2)C2CC2)cc1 ZINC000179519973 265382071 /nfs/dbraw/zinc/38/20/71/265382071.db2.gz LUNMKVHDSJBDKS-UHFFFAOYSA-N 1 2 328.397 3.469 20 5 EGBDLO COC(=O)c1oc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C ZINC000179520376 265382173 /nfs/dbraw/zinc/38/21/73/265382173.db2.gz GXWUXEWKSDDYAO-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO COC(=O)c1oc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C ZINC000179520376 265382177 /nfs/dbraw/zinc/38/21/77/265382177.db2.gz GXWUXEWKSDDYAO-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000273452358 267041765 /nfs/dbraw/zinc/04/17/65/267041765.db2.gz LLFAFMKMRIVFBH-IAQYHMDHSA-N 1 2 347.350 3.045 20 5 EGBDLO CCn1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c2ccccc21 ZINC000274437711 267237267 /nfs/dbraw/zinc/23/72/67/267237267.db2.gz OCMIOARFNMQOKK-UHFFFAOYSA-N 1 2 340.383 3.263 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000277686291 267844801 /nfs/dbraw/zinc/84/48/01/267844801.db2.gz FMAJQXAQLYPARC-UHFFFAOYSA-N 1 2 333.779 3.251 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000277686291 267844802 /nfs/dbraw/zinc/84/48/02/267844802.db2.gz FMAJQXAQLYPARC-UHFFFAOYSA-N 1 2 333.779 3.251 20 5 EGBDLO Cc1c[nH+]ccc1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278399767 268004044 /nfs/dbraw/zinc/00/40/44/268004044.db2.gz MWLYLOQODCGRBG-UHFFFAOYSA-N 1 2 326.278 3.367 20 5 EGBDLO COC(=O)c1coc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000278820998 275277983 /nfs/dbraw/zinc/27/79/83/275277983.db2.gz SNKFVJZTQHHZMB-VIFPVBQESA-N 1 2 338.747 3.479 20 5 EGBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000281846537 275581857 /nfs/dbraw/zinc/58/18/57/275581857.db2.gz JFNDJBMBFYHMQC-GFCCVEGCSA-N 1 2 343.412 3.378 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCc4occc4C3)n2)cc1 ZINC000288669414 276240222 /nfs/dbraw/zinc/24/02/22/276240222.db2.gz CAKRLISNDCCTOX-UHFFFAOYSA-N 1 2 340.339 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCc4occc4C3)n2)cc1 ZINC000288669414 276240223 /nfs/dbraw/zinc/24/02/23/276240223.db2.gz CAKRLISNDCCTOX-UHFFFAOYSA-N 1 2 340.339 3.186 20 5 EGBDLO C[C@H](O)c1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000290312392 276478556 /nfs/dbraw/zinc/47/85/56/276478556.db2.gz IWWLPDRXYXUIIC-QMMMGPOBSA-N 1 2 327.793 3.048 20 5 EGBDLO CC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000026717731 278247196 /nfs/dbraw/zinc/24/71/96/278247196.db2.gz JTZMLYALWVPLPS-LJQANCHMSA-N 1 2 339.395 3.291 20 5 EGBDLO CC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000026717731 278247197 /nfs/dbraw/zinc/24/71/97/278247197.db2.gz JTZMLYALWVPLPS-LJQANCHMSA-N 1 2 339.395 3.291 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000175280207 278866057 /nfs/dbraw/zinc/86/60/57/278866057.db2.gz WVHHYMBEFADNNH-CQSZACIVSA-N 1 2 329.360 3.385 20 5 EGBDLO Cc1c(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000175302947 280242473 /nfs/dbraw/zinc/24/24/73/280242473.db2.gz DLXKTLADAJUROZ-CQSZACIVSA-N 1 2 329.360 3.385 20 5 EGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000414092552 309060461 /nfs/dbraw/zinc/06/04/61/309060461.db2.gz DZGPNGLEHFWZIB-ZJUUUORDSA-N 1 2 335.385 3.250 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1OC ZINC000162358372 307912197 /nfs/dbraw/zinc/91/21/97/307912197.db2.gz MXEUFNMVGVFZAA-UHFFFAOYSA-N 1 2 333.369 3.363 20 5 EGBDLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000255077314 308039538 /nfs/dbraw/zinc/03/95/38/308039538.db2.gz SHYPMUHUSITPNK-TWGQIWQCSA-N 1 2 348.362 3.110 20 5 EGBDLO CC(C)[C@]1(CO)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000293218816 308110333 /nfs/dbraw/zinc/11/03/33/308110333.db2.gz XVEVALRGUXRWHM-MRXNPFEDSA-N 1 2 328.359 3.104 20 5 EGBDLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000293218816 308110334 /nfs/dbraw/zinc/11/03/34/308110334.db2.gz XVEVALRGUXRWHM-MRXNPFEDSA-N 1 2 328.359 3.104 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] ZINC000298800118 308641048 /nfs/dbraw/zinc/64/10/48/308641048.db2.gz DVAIDWXVJBSRGR-SNVBAGLBSA-N 1 2 344.396 3.464 20 5 EGBDLO CCn1c2ccccc2[nH+]c1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000301288338 308695013 /nfs/dbraw/zinc/69/50/13/308695013.db2.gz MNXORXDANCQRFT-UHFFFAOYSA-N 1 2 325.372 3.322 20 5 EGBDLO CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3F)c[nH+]2)CC1 ZINC000413058981 309013958 /nfs/dbraw/zinc/01/39/58/309013958.db2.gz CVFFOQBWEISJNL-UHFFFAOYSA-N 1 2 345.378 3.372 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000413085416 309015324 /nfs/dbraw/zinc/01/53/24/309015324.db2.gz WAUWXGKJUNXFDX-UHFFFAOYSA-N 1 2 331.351 3.126 20 5 EGBDLO Cc1ccn(C2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413267791 309024419 /nfs/dbraw/zinc/02/44/19/309024419.db2.gz NUBJCGQEZYTWHJ-UHFFFAOYSA-N 1 2 337.383 3.489 20 5 EGBDLO CC(C)c1nnc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000417349327 309202592 /nfs/dbraw/zinc/20/25/92/309202592.db2.gz KSSUSMZKYBSSDN-OAHLLOKOSA-N 1 2 329.404 3.394 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421123110 309314442 /nfs/dbraw/zinc/31/44/42/309314442.db2.gz PMQAAYKOEJXFQR-UHFFFAOYSA-N 1 2 344.371 3.327 20 5 EGBDLO O=[N+]([O-])c1ccc(CNc2ccc(N3CCCC3)c[nH+]2)c(Cl)c1 ZINC000425340868 309474322 /nfs/dbraw/zinc/47/43/22/309474322.db2.gz BPQGWXSQBHEIRZ-UHFFFAOYSA-N 1 2 332.791 3.277 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(O)(C(F)F)C3)s2)cc1 ZINC000425353455 309475559 /nfs/dbraw/zinc/47/55/59/309475559.db2.gz ZKNAIOQFHOYCLY-UHFFFAOYSA-N 1 2 340.351 3.135 20 5 EGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000430212921 309601826 /nfs/dbraw/zinc/60/18/26/309601826.db2.gz RESUELKLYWPBDR-HNNXBMFYSA-N 1 2 334.372 3.236 20 5 EGBDLO CCOc1cc(NC[C@@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000443888217 309909083 /nfs/dbraw/zinc/90/90/83/309909083.db2.gz YOCAYDWPDNRSDL-ZDUSSCGKSA-N 1 2 330.388 3.488 20 5 EGBDLO C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(F)(F)F ZINC000447803768 309989143 /nfs/dbraw/zinc/98/91/43/309989143.db2.gz BWERDYOPYZWRJZ-NSHDSACASA-N 1 2 347.337 3.037 20 5 EGBDLO CN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448652086 310010822 /nfs/dbraw/zinc/01/08/22/310010822.db2.gz ZTUDFAJEBRMLEZ-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO CC(C)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448798848 310018418 /nfs/dbraw/zinc/01/84/18/310018418.db2.gz ICYVSEPNYUZRSS-CQSZACIVSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(C)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448847595 310020683 /nfs/dbraw/zinc/02/06/83/310020683.db2.gz VNRNTFIEQNYZKI-UHFFFAOYSA-N 1 2 330.388 3.287 20 5 EGBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cc(CSCCO)cc[nH+]1 ZINC000449209627 310044750 /nfs/dbraw/zinc/04/47/50/310044750.db2.gz VIFMCYKTOIGNEV-CYBMUJFWSA-N 1 2 347.440 3.258 20 5 EGBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCC2 ZINC000449460414 310063705 /nfs/dbraw/zinc/06/37/05/310063705.db2.gz NCBIEYNKCTWHRQ-UHFFFAOYSA-N 1 2 349.822 3.201 20 5 EGBDLO CCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000450072249 310101922 /nfs/dbraw/zinc/10/19/22/310101922.db2.gz HKFTYWZGIZVZFB-UHFFFAOYSA-N 1 2 328.372 3.091 20 5 EGBDLO CCC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450105448 310103756 /nfs/dbraw/zinc/10/37/56/310103756.db2.gz OVWJGUOHBOPJFX-AWEZNQCLSA-N 1 2 342.399 3.433 20 5 EGBDLO C[C@@H]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451184605 310164646 /nfs/dbraw/zinc/16/46/46/310164646.db2.gz ANPKUKPDKQWHGX-OCCSQVGLSA-N 1 2 328.372 3.041 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000451807028 310198332 /nfs/dbraw/zinc/19/83/32/310198332.db2.gz ZYEVAHSBOOQYGD-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000451807028 310198333 /nfs/dbraw/zinc/19/83/33/310198333.db2.gz ZYEVAHSBOOQYGD-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455366878 310357684 /nfs/dbraw/zinc/35/76/84/310357684.db2.gz YGBQECZTWURMDR-GXFFZTMASA-N 1 2 345.359 3.018 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000455465327 310362035 /nfs/dbraw/zinc/36/20/35/310362035.db2.gz OXKSMVXCERJRHR-LLVKDONJSA-N 1 2 331.376 3.256 20 5 EGBDLO Cc1cc(C)c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000456852973 310425726 /nfs/dbraw/zinc/42/57/26/310425726.db2.gz XYXJGAVTXLXJDT-UHFFFAOYSA-N 1 2 345.374 3.340 20 5 EGBDLO Cc1ccnc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000510520614 312142213 /nfs/dbraw/zinc/14/22/13/312142213.db2.gz YTMLRTCKFHYMIB-XQRVVYSFSA-N 1 2 338.411 3.134 20 5 EGBDLO CC[C@H]1CO[C@@H](C)CN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535234691 314033526 /nfs/dbraw/zinc/03/35/26/314033526.db2.gz VCBRESFMRSUMKT-ZFWWWQNUSA-N 1 2 342.399 3.364 20 5 EGBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000538494386 314249711 /nfs/dbraw/zinc/24/97/11/314249711.db2.gz REYACXJXWZMXBX-SFHVURJKSA-N 1 2 326.396 3.347 20 5 EGBDLO Cc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000538494386 314249712 /nfs/dbraw/zinc/24/97/12/314249712.db2.gz REYACXJXWZMXBX-SFHVURJKSA-N 1 2 326.396 3.347 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000539781442 314336647 /nfs/dbraw/zinc/33/66/47/314336647.db2.gz UCWWBPHRXKQPBC-UHFFFAOYSA-N 1 2 336.351 3.223 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1 ZINC000573824538 317533144 /nfs/dbraw/zinc/53/31/44/317533144.db2.gz CCVMIEKRCGMOIJ-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H](NCCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000583386115 325519630 /nfs/dbraw/zinc/51/96/30/325519630.db2.gz HORXKNKKOMDCNK-CYBMUJFWSA-N 1 2 328.294 3.075 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCCC3)c2)nc1 ZINC000264583169 455242044 /nfs/dbraw/zinc/24/20/44/455242044.db2.gz ZQNMNYQXWUYRIG-UHFFFAOYSA-N 1 2 327.388 3.377 20 5 EGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000018899280 453652182 /nfs/dbraw/zinc/65/21/82/453652182.db2.gz RCGZJGRHUCCENW-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021674556 453681063 /nfs/dbraw/zinc/68/10/63/453681063.db2.gz HNKIXLSICSTVDT-KRWDZBQOSA-N 1 2 345.374 3.219 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(F)cc1F ZINC000024954190 453752664 /nfs/dbraw/zinc/75/26/64/453752664.db2.gz LXDQCJVKMFXZLB-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(F)cc1F ZINC000024954190 453752668 /nfs/dbraw/zinc/75/26/68/453752668.db2.gz LXDQCJVKMFXZLB-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO CC(=O)c1ccccc1OCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347292 453797570 /nfs/dbraw/zinc/79/75/70/453797570.db2.gz KJVPCXCMMYGMMD-UHFFFAOYSA-N 1 2 328.368 3.308 20 5 EGBDLO CC(=O)c1ccccc1OCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347292 453797573 /nfs/dbraw/zinc/79/75/73/453797573.db2.gz KJVPCXCMMYGMMD-UHFFFAOYSA-N 1 2 328.368 3.308 20 5 EGBDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000026345963 453797737 /nfs/dbraw/zinc/79/77/37/453797737.db2.gz RUGWVUYPTKIXEO-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000026345963 453797738 /nfs/dbraw/zinc/79/77/38/453797738.db2.gz RUGWVUYPTKIXEO-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000027127812 453811525 /nfs/dbraw/zinc/81/15/25/453811525.db2.gz MBRCLMYPVUZHEG-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000027127812 453811528 /nfs/dbraw/zinc/81/15/28/453811528.db2.gz MBRCLMYPVUZHEG-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CCc1[nH+]c(C)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000190779519 455381450 /nfs/dbraw/zinc/38/14/50/455381450.db2.gz OJXXTTNDNVUJNJ-UHFFFAOYSA-N 1 2 330.340 3.306 20 5 EGBDLO COC(=O)c1ccc(F)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000181869362 455391483 /nfs/dbraw/zinc/39/14/83/455391483.db2.gz LVENREURXBIOJE-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO COC(=O)c1ccc(F)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000181869362 455391486 /nfs/dbraw/zinc/39/14/86/455391486.db2.gz LVENREURXBIOJE-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c(F)c1 ZINC000042096940 453993414 /nfs/dbraw/zinc/99/34/14/453993414.db2.gz RUKZVGHDDXCOHT-GOSISDBHSA-N 1 2 345.374 3.219 20 5 EGBDLO CCc1cc(NC[C@H](C)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077228648 454078626 /nfs/dbraw/zinc/07/86/26/454078626.db2.gz UXNYFQDDYMBTMU-CHWSQXEVSA-N 1 2 344.415 3.433 20 5 EGBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616551 454115741 /nfs/dbraw/zinc/11/57/41/454115741.db2.gz PYMPHXKVIPTELH-QLFBSQMISA-N 1 2 345.443 3.131 20 5 EGBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616551 454115745 /nfs/dbraw/zinc/11/57/45/454115745.db2.gz PYMPHXKVIPTELH-QLFBSQMISA-N 1 2 345.443 3.131 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000046059178 454212622 /nfs/dbraw/zinc/21/26/22/454212622.db2.gz NJHJUALZJDYXRM-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000046059178 454212624 /nfs/dbraw/zinc/21/26/24/454212624.db2.gz NJHJUALZJDYXRM-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130953949 454228378 /nfs/dbraw/zinc/22/83/78/454228378.db2.gz NLDZDFWITPRIBX-GASCZTMLSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130953949 454228380 /nfs/dbraw/zinc/22/83/80/454228380.db2.gz NLDZDFWITPRIBX-GASCZTMLSA-N 1 2 345.443 3.064 20 5 EGBDLO CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073322894 454420976 /nfs/dbraw/zinc/42/09/76/454420976.db2.gz HGQKGYBDXZMYMZ-TZMCWYRMSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1Br)Cn1cc[nH+]c1 ZINC000091454055 454436599 /nfs/dbraw/zinc/43/65/99/454436599.db2.gz JHYBFVUUPJDNKN-SNVBAGLBSA-N 1 2 339.193 3.302 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133860959 454476895 /nfs/dbraw/zinc/47/68/95/454476895.db2.gz ZMNDZNLWGDDQHJ-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133860959 454476900 /nfs/dbraw/zinc/47/69/00/454476900.db2.gz ZMNDZNLWGDDQHJ-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000064635412 454496209 /nfs/dbraw/zinc/49/62/09/454496209.db2.gz XTGDUSPNIKMHSZ-UHFFFAOYSA-N 1 2 339.701 3.071 20 5 EGBDLO C[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000064635412 454496213 /nfs/dbraw/zinc/49/62/13/454496213.db2.gz XTGDUSPNIKMHSZ-UHFFFAOYSA-N 1 2 339.701 3.071 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065668048 454609809 /nfs/dbraw/zinc/60/98/09/454609809.db2.gz UAGWYJMRTYMSIM-SFHVURJKSA-N 1 2 325.412 3.349 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065668048 454609811 /nfs/dbraw/zinc/60/98/11/454609811.db2.gz UAGWYJMRTYMSIM-SFHVURJKSA-N 1 2 325.412 3.349 20 5 EGBDLO Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000080675813 454617078 /nfs/dbraw/zinc/61/70/78/454617078.db2.gz AULIUIVOKXJPLF-UHFFFAOYSA-N 1 2 331.763 3.254 20 5 EGBDLO Cc1csc([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000092788010 454631571 /nfs/dbraw/zinc/63/15/71/454631571.db2.gz RSXVVUGKZNUTEF-LBPRGKRZSA-N 1 2 333.413 3.445 20 5 EGBDLO Cc1csc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000092788010 454631574 /nfs/dbraw/zinc/63/15/74/454631574.db2.gz RSXVVUGKZNUTEF-LBPRGKRZSA-N 1 2 333.413 3.445 20 5 EGBDLO Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000051739884 454636478 /nfs/dbraw/zinc/63/64/78/454636478.db2.gz MRLGYJWKPPMXIL-LJQANCHMSA-N 1 2 341.411 3.389 20 5 EGBDLO O=[N+]([O-])c1cccnc1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000081033249 454675672 /nfs/dbraw/zinc/67/56/72/454675672.db2.gz PGZRYKGETLTDGD-UHFFFAOYSA-N 1 2 337.383 3.431 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1cccnc1 ZINC000135854941 454705330 /nfs/dbraw/zinc/70/53/30/454705330.db2.gz QMRKLMCYBFIDMZ-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1cccnc1 ZINC000135854941 454705335 /nfs/dbraw/zinc/70/53/35/454705335.db2.gz QMRKLMCYBFIDMZ-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288641 454778372 /nfs/dbraw/zinc/77/83/72/454778372.db2.gz KSUGLFKMBRHLBN-GASCZTMLSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153288641 454778374 /nfs/dbraw/zinc/77/83/74/454778374.db2.gz KSUGLFKMBRHLBN-GASCZTMLSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000266910995 455473610 /nfs/dbraw/zinc/47/36/10/455473610.db2.gz LIMMMQFMHVAPQP-LBPRGKRZSA-N 1 2 328.372 3.041 20 5 EGBDLO CN(C)c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c[nH+]1 ZINC000162954923 454812749 /nfs/dbraw/zinc/81/27/49/454812749.db2.gz JFAYHJQXCUPQRF-UHFFFAOYSA-N 1 2 338.314 3.269 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)c1 ZINC000265494918 455334905 /nfs/dbraw/zinc/33/49/05/455334905.db2.gz HBDFXVJBPGAGOD-UHFFFAOYSA-N 1 2 333.779 3.251 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000190552682 455342351 /nfs/dbraw/zinc/34/23/51/455342351.db2.gz OVUDKCWTIRQFEI-ZDUSSCGKSA-N 1 2 349.431 3.120 20 5 EGBDLO Cc1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000182082393 455430389 /nfs/dbraw/zinc/43/03/89/455430389.db2.gz MZCQIFFPUGANCN-UHFFFAOYSA-N 1 2 336.779 3.319 20 5 EGBDLO CC(C)Cn1ncnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000182688389 455568376 /nfs/dbraw/zinc/56/83/76/455568376.db2.gz RCWBORNXRRXGCI-UHFFFAOYSA-N 1 2 331.420 3.253 20 5 EGBDLO CC(C)Cn1ncnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000182688389 455568380 /nfs/dbraw/zinc/56/83/80/455568380.db2.gz RCWBORNXRRXGCI-UHFFFAOYSA-N 1 2 331.420 3.253 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000192251910 455582365 /nfs/dbraw/zinc/58/23/65/455582365.db2.gz RBGUZEJYCZSVRX-UHFFFAOYSA-N 1 2 344.415 3.215 20 5 EGBDLO CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271340732 455604527 /nfs/dbraw/zinc/60/45/27/455604527.db2.gz BYNWEYOFSHRAKP-OCCSQVGLSA-N 1 2 328.372 3.184 20 5 EGBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000284998090 455775105 /nfs/dbraw/zinc/77/51/05/455775105.db2.gz GSEFLIXDBMKLFA-DCAQKATOSA-N 1 2 332.408 3.220 20 5 EGBDLO COc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000278197587 455783898 /nfs/dbraw/zinc/78/38/98/455783898.db2.gz IQAXUOHZWADCOL-UHFFFAOYSA-N 1 2 331.328 3.144 20 5 EGBDLO COc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000278197587 455783901 /nfs/dbraw/zinc/78/39/01/455783901.db2.gz IQAXUOHZWADCOL-UHFFFAOYSA-N 1 2 331.328 3.144 20 5 EGBDLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232314 455922636 /nfs/dbraw/zinc/92/26/36/455922636.db2.gz WDVUMSZNRXSEMC-DOMZBBRYSA-N 1 2 346.387 3.236 20 5 EGBDLO CC(C)c1nnc([C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232314 455922640 /nfs/dbraw/zinc/92/26/40/455922640.db2.gz WDVUMSZNRXSEMC-DOMZBBRYSA-N 1 2 346.387 3.236 20 5 EGBDLO Cc1cc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000296783578 456036852 /nfs/dbraw/zinc/03/68/52/456036852.db2.gz KJXQIKQNEJCLER-CQSZACIVSA-N 1 2 343.387 3.252 20 5 EGBDLO C[C@@H]1CCCN(c2cc(NCc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000301274762 456078242 /nfs/dbraw/zinc/07/82/42/456078242.db2.gz WFPOVKYJGNNWBF-CYBMUJFWSA-N 1 2 327.388 3.233 20 5 EGBDLO C[C@@H]1CCCN(c2cc(NCc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000301274762 456078244 /nfs/dbraw/zinc/07/82/44/456078244.db2.gz WFPOVKYJGNNWBF-CYBMUJFWSA-N 1 2 327.388 3.233 20 5 EGBDLO CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000301297870 456084927 /nfs/dbraw/zinc/08/49/27/456084927.db2.gz YSGOCWKVSBNBKP-UHFFFAOYSA-N 1 2 335.795 3.497 20 5 EGBDLO C/C=C/C[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302248467 456327630 /nfs/dbraw/zinc/32/76/30/456327630.db2.gz LUSBMLGEWWHTJE-XGACYXMMSA-N 1 2 328.372 3.099 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000353152164 456525022 /nfs/dbraw/zinc/52/50/22/456525022.db2.gz HNNSVVFUZLDXDF-UHFFFAOYSA-N 1 2 344.367 3.094 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000353152164 456525027 /nfs/dbraw/zinc/52/50/27/456525027.db2.gz HNNSVVFUZLDXDF-UHFFFAOYSA-N 1 2 344.367 3.094 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000298759033 456532959 /nfs/dbraw/zinc/53/29/59/456532959.db2.gz JUEWPHAJEZCAIF-AWEZNQCLSA-N 1 2 348.790 3.352 20 5 EGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000298759033 456532964 /nfs/dbraw/zinc/53/29/64/456532964.db2.gz JUEWPHAJEZCAIF-AWEZNQCLSA-N 1 2 348.790 3.352 20 5 EGBDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000348263179 456580030 /nfs/dbraw/zinc/58/00/30/456580030.db2.gz UHBXAWNXUKBOCO-UMVBOHGHSA-N 1 2 342.399 3.335 20 5 EGBDLO Cc1n[nH]c(C)c1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301229115 456827681 /nfs/dbraw/zinc/82/76/81/456827681.db2.gz IIDWGDUFRRYERQ-UHFFFAOYSA-N 1 2 338.371 3.312 20 5 EGBDLO Cc1noc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000339085080 456933056 /nfs/dbraw/zinc/93/30/56/456933056.db2.gz UQAIHUTZUQCTTK-SSDOTTSWSA-N 1 2 330.266 3.156 20 5 EGBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000360053019 457228268 /nfs/dbraw/zinc/22/82/68/457228268.db2.gz LKUFBJQIAHIQAX-UHFFFAOYSA-N 1 2 337.339 3.102 20 5 EGBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000347224495 457297901 /nfs/dbraw/zinc/29/79/01/457297901.db2.gz LBRBDABLKWMZOH-SJCJKPOMSA-N 1 2 337.383 3.449 20 5 EGBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000347224495 457297903 /nfs/dbraw/zinc/29/79/03/457297903.db2.gz LBRBDABLKWMZOH-SJCJKPOMSA-N 1 2 337.383 3.449 20 5 EGBDLO O=[N+]([O-])c1ccccc1Cc1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000355688866 457400665 /nfs/dbraw/zinc/40/06/65/457400665.db2.gz JVVREELNPRTDHN-UHFFFAOYSA-N 1 2 347.334 3.421 20 5 EGBDLO C[C@@H]1CSCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424298 457547597 /nfs/dbraw/zinc/54/75/97/457547597.db2.gz WQUUAEIMGZVOKQ-SECBINFHSA-N 1 2 331.235 3.295 20 5 EGBDLO C[C@@H]1CSCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424298 457547603 /nfs/dbraw/zinc/54/76/03/457547603.db2.gz WQUUAEIMGZVOKQ-SECBINFHSA-N 1 2 331.235 3.295 20 5 EGBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000433044868 457652513 /nfs/dbraw/zinc/65/25/13/457652513.db2.gz KQZDEVCYKLAIDJ-AWEZNQCLSA-N 1 2 334.803 3.284 20 5 EGBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000433044868 457652520 /nfs/dbraw/zinc/65/25/20/457652520.db2.gz KQZDEVCYKLAIDJ-AWEZNQCLSA-N 1 2 334.803 3.284 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000364746321 457686393 /nfs/dbraw/zinc/68/63/93/457686393.db2.gz NIKDYCWFFDVETG-LBPRGKRZSA-N 1 2 339.355 3.199 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000375344599 457890079 /nfs/dbraw/zinc/89/00/79/457890079.db2.gz GXKWDIQQRPBCBI-CQSZACIVSA-N 1 2 342.399 3.081 20 5 EGBDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000444744980 457961719 /nfs/dbraw/zinc/96/17/19/457961719.db2.gz PGADKRNVZBUZFP-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000444744980 457961727 /nfs/dbraw/zinc/96/17/27/457961727.db2.gz PGADKRNVZBUZFP-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000411768673 457974581 /nfs/dbraw/zinc/97/45/81/457974581.db2.gz FJMLUERQAVBPKY-XHSDSOJGSA-N 1 2 340.383 3.175 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000376076562 458187067 /nfs/dbraw/zinc/18/70/67/458187067.db2.gz ATMLDXPPSVXQBB-UHFFFAOYSA-N 1 2 329.747 3.441 20 5 EGBDLO C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000429245831 458298188 /nfs/dbraw/zinc/29/81/88/458298188.db2.gz LSLJHQYKMVZRMY-OCCSQVGLSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373104243 458398403 /nfs/dbraw/zinc/39/84/03/458398403.db2.gz MYAFBAKNHGIJCN-ZDUSSCGKSA-N 1 2 343.387 3.048 20 5 EGBDLO CC(C)c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000373288438 458453589 /nfs/dbraw/zinc/45/35/89/458453589.db2.gz YDTBMQPLVQBYKJ-UHFFFAOYSA-N 1 2 335.433 3.208 20 5 EGBDLO C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456412631 458670470 /nfs/dbraw/zinc/67/04/70/458670470.db2.gz HLNMGYMXKOEJAM-IINYFYTJSA-N 1 2 346.362 3.030 20 5 EGBDLO O=[N+]([O-])c1cccc2c(N[C@@H]3CCN(c4cccc[nH+]4)C3)ccnc21 ZINC000432342935 458719865 /nfs/dbraw/zinc/71/98/65/458719865.db2.gz PJSFXXADUCVFPE-CYBMUJFWSA-N 1 2 335.367 3.229 20 5 EGBDLO CCC[N@H+](CC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471804435 458733032 /nfs/dbraw/zinc/73/30/32/458733032.db2.gz MPQCKGVSMVQIII-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471804435 458733040 /nfs/dbraw/zinc/73/30/40/458733040.db2.gz MPQCKGVSMVQIII-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440481192 458818146 /nfs/dbraw/zinc/81/81/46/458818146.db2.gz MKAVSLXQURYOLD-UHFFFAOYSA-N 1 2 330.388 3.149 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440481192 458818149 /nfs/dbraw/zinc/81/81/49/458818149.db2.gz MKAVSLXQURYOLD-UHFFFAOYSA-N 1 2 330.388 3.149 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC(C1CC1)C1CC1 ZINC000520720940 459086441 /nfs/dbraw/zinc/08/64/41/459086441.db2.gz DJMKHOPWEZJKCJ-UHFFFAOYSA-N 1 2 345.443 3.275 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000533300509 459216470 /nfs/dbraw/zinc/21/64/70/459216470.db2.gz ANCMHKYHIUBDIR-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000533300509 459216478 /nfs/dbraw/zinc/21/64/78/459216478.db2.gz ANCMHKYHIUBDIR-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000534300369 459308499 /nfs/dbraw/zinc/30/84/99/459308499.db2.gz WWRCXSYHGAABSQ-LBPRGKRZSA-N 1 2 331.397 3.148 20 5 EGBDLO CCOC(=O)Cc1ccc(NCCc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000591937955 459491913 /nfs/dbraw/zinc/49/19/13/459491913.db2.gz CVICQWQGJPYITF-UHFFFAOYSA-N 1 2 343.383 3.058 20 5 EGBDLO COc1cc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000592191945 459548013 /nfs/dbraw/zinc/54/80/13/459548013.db2.gz DQODKHCPMYMPII-LBPRGKRZSA-N 1 2 338.379 3.276 20 5 EGBDLO COc1cc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000592191945 459548017 /nfs/dbraw/zinc/54/80/17/459548017.db2.gz DQODKHCPMYMPII-LBPRGKRZSA-N 1 2 338.379 3.276 20 5 EGBDLO CCOC(=O)c1cc(NCCc2ccc(C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000574496521 459825941 /nfs/dbraw/zinc/82/59/41/459825941.db2.gz SKSGPHWGRKLDPG-UHFFFAOYSA-N 1 2 329.356 3.130 20 5 EGBDLO Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c(C)c[nH+]1 ZINC000545833034 459859716 /nfs/dbraw/zinc/85/97/16/459859716.db2.gz WUJNQNUYNKFBJA-UHFFFAOYSA-N 1 2 331.347 3.084 20 5 EGBDLO CCc1nnc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000602666867 460054092 /nfs/dbraw/zinc/05/40/92/460054092.db2.gz MLDGNTCUKDVGMV-UHFFFAOYSA-N 1 2 346.334 3.317 20 5 EGBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000611409123 460357910 /nfs/dbraw/zinc/35/79/10/460357910.db2.gz RAEHKWSKZCKRFW-SECBINFHSA-N 1 2 343.343 3.100 20 5 EGBDLO CCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000603937387 460361946 /nfs/dbraw/zinc/36/19/46/460361946.db2.gz QYAFVLWEJJHFLQ-UHFFFAOYSA-N 1 2 347.440 3.377 20 5 EGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611554303 460397325 /nfs/dbraw/zinc/39/73/25/460397325.db2.gz KREPLPBVAWSLGD-QWRGUYRKSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611554303 460397328 /nfs/dbraw/zinc/39/73/28/460397328.db2.gz KREPLPBVAWSLGD-QWRGUYRKSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000604435693 460427713 /nfs/dbraw/zinc/42/77/13/460427713.db2.gz SDUYYOHGOBHBPX-BEFAXECRSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000604435693 460427716 /nfs/dbraw/zinc/42/77/16/460427716.db2.gz SDUYYOHGOBHBPX-BEFAXECRSA-N 1 2 342.395 3.436 20 5 EGBDLO COc1cc(C[N@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184272519 533798295 /nfs/dbraw/zinc/79/82/95/533798295.db2.gz GWNDBHKUOIDRIZ-UHFFFAOYSA-N 1 2 331.347 3.302 20 5 EGBDLO COc1cc(C[N@@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184272519 533798303 /nfs/dbraw/zinc/79/83/03/533798303.db2.gz GWNDBHKUOIDRIZ-UHFFFAOYSA-N 1 2 331.347 3.302 20 5 EGBDLO Cc1cc(F)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000296664880 518187382 /nfs/dbraw/zinc/18/73/82/518187382.db2.gz GUDDNSZSPGTMQJ-LLVKDONJSA-N 1 2 347.350 3.177 20 5 EGBDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000361645850 536600298 /nfs/dbraw/zinc/60/02/98/536600298.db2.gz FUZDLCNTSGUCIL-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000726868095 574574048 /nfs/dbraw/zinc/57/40/48/574574048.db2.gz WEYDQYYCJBBUGJ-UHFFFAOYSA-N 1 2 331.332 3.202 20 5 EGBDLO CCOCC[N@H+](CC)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000730802264 575022178 /nfs/dbraw/zinc/02/21/78/575022178.db2.gz MXOHZGDNNHJFPT-UHFFFAOYSA-N 1 2 325.390 3.188 20 5 EGBDLO CCOCC[N@@H+](CC)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000730802264 575022182 /nfs/dbraw/zinc/02/21/82/575022182.db2.gz MXOHZGDNNHJFPT-UHFFFAOYSA-N 1 2 325.390 3.188 20 5 EGBDLO CN(C)c1ccc([NH+]2CCC(Nc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000742417825 576781948 /nfs/dbraw/zinc/78/19/48/576781948.db2.gz VTPXYYAEWKIYKJ-UHFFFAOYSA-N 1 2 341.415 3.137 20 5 EGBDLO C[NH+](C)c1ccc(N2CCC(Nc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000742417825 576781950 /nfs/dbraw/zinc/78/19/50/576781950.db2.gz VTPXYYAEWKIYKJ-UHFFFAOYSA-N 1 2 341.415 3.137 20 5 EGBDLO O=C(OC[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835436003 1293291299 /nfs/dbraw/zinc/29/12/99/1293291299.db2.gz XAEUWNCOYOYYBX-LBPRGKRZSA-N 1 2 347.396 3.081 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171298660 1294402372 /nfs/dbraw/zinc/40/23/72/1294402372.db2.gz HDURPOLPELQYMQ-UHFFFAOYSA-N 1 2 339.307 3.008 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccoc1 ZINC000745983020 1298507141 /nfs/dbraw/zinc/50/71/41/1298507141.db2.gz AWBXLUZJOPJUHY-JTQLQIEISA-N 1 2 337.763 3.300 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccoc1 ZINC000745983020 1298507146 /nfs/dbraw/zinc/50/71/46/1298507146.db2.gz AWBXLUZJOPJUHY-JTQLQIEISA-N 1 2 337.763 3.300 20 5 EGBDLO O=[N+]([O-])c1ccc(CCNc2ccc([NH+]3CCC(O)CC3)cc2)cc1 ZINC000876821876 1299014641 /nfs/dbraw/zinc/01/46/41/1299014641.db2.gz QTDAQPHWTIJFLO-UHFFFAOYSA-N 1 2 341.411 3.211 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[NH2+]c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876821876 1299014647 /nfs/dbraw/zinc/01/46/47/1299014647.db2.gz QTDAQPHWTIJFLO-UHFFFAOYSA-N 1 2 341.411 3.211 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000761117121 1301403992 /nfs/dbraw/zinc/40/39/92/1301403992.db2.gz IKBMMENOSCOPJO-UHFFFAOYSA-N 1 2 330.363 3.205 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)[nH]1 ZINC000761532841 1301491726 /nfs/dbraw/zinc/49/17/26/1301491726.db2.gz HBFYMGDDMMMHFU-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)[nH]1 ZINC000761532841 1301491732 /nfs/dbraw/zinc/49/17/32/1301491732.db2.gz HBFYMGDDMMMHFU-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000761532841 1301491736 /nfs/dbraw/zinc/49/17/36/1301491736.db2.gz HBFYMGDDMMMHFU-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000761532841 1301491741 /nfs/dbraw/zinc/49/17/41/1301491741.db2.gz HBFYMGDDMMMHFU-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887100792 1303675368 /nfs/dbraw/zinc/67/53/68/1303675368.db2.gz QQIFPMWGIIZDCF-UHFFFAOYSA-N 1 2 341.358 3.351 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887100792 1303675373 /nfs/dbraw/zinc/67/53/73/1303675373.db2.gz QQIFPMWGIIZDCF-UHFFFAOYSA-N 1 2 341.358 3.351 20 5 EGBDLO C[C@@H]1C[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@@H](C)S1 ZINC000774634275 1303837812 /nfs/dbraw/zinc/83/78/12/1303837812.db2.gz CINPCGFLOZWLQP-NXEZZACHSA-N 1 2 340.836 3.381 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000775084344 1303905292 /nfs/dbraw/zinc/90/52/92/1303905292.db2.gz CDVSQGKFJGCWOR-UHFFFAOYSA-N 1 2 335.385 3.149 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000782837305 1305016037 /nfs/dbraw/zinc/01/60/37/1305016037.db2.gz HWURLKBSZKFSEF-OAHLLOKOSA-N 1 2 345.403 3.336 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)OCCCn1cc[nH+]c1 ZINC000784445695 1305246149 /nfs/dbraw/zinc/24/61/49/1305246149.db2.gz MCLRADACZCECME-UHFFFAOYSA-N 1 2 335.385 3.150 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000892641716 1305485327 /nfs/dbraw/zinc/48/53/27/1305485327.db2.gz UWWJNUDQKCQFIT-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000894447793 1308894383 /nfs/dbraw/zinc/89/43/83/1308894383.db2.gz HGNWTLOEDYRSEF-AWEZNQCLSA-N 1 2 329.356 3.041 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000894447793 1308894394 /nfs/dbraw/zinc/89/43/94/1308894394.db2.gz HGNWTLOEDYRSEF-AWEZNQCLSA-N 1 2 329.356 3.041 20 5 EGBDLO COc1cc(N2CCC(Nc3cccc[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000895352936 1309295732 /nfs/dbraw/zinc/29/57/32/1309295732.db2.gz OYTZNRBLSQLAFW-UHFFFAOYSA-N 1 2 346.362 3.218 20 5 EGBDLO CC[C@H](c1nnc(SCC[N+](=O)[O-])n1C1CCCCC1)[NH+](C)C ZINC000899860949 1317187660 /nfs/dbraw/zinc/18/76/60/1317187660.db2.gz OBHPDHRUUQAERV-CYBMUJFWSA-N 1 2 341.481 3.165 20 5 EGBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000804466709 1317240456 /nfs/dbraw/zinc/24/04/56/1317240456.db2.gz JGYRUBYSYYTDHK-UHFFFAOYSA-N 1 2 326.268 3.481 20 5 EGBDLO Cc1coc(C)c1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170628 1318510134 /nfs/dbraw/zinc/51/01/34/1318510134.db2.gz IYBHAWNPURQQNY-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO Cc1coc(C)c1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170628 1318510137 /nfs/dbraw/zinc/51/01/37/1318510137.db2.gz IYBHAWNPURQQNY-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO Cc1ccsc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173074 1318510980 /nfs/dbraw/zinc/51/09/80/1318510980.db2.gz TVDMONCYYVKEEW-HNNXBMFYSA-N 1 2 346.408 3.396 20 5 EGBDLO Cc1ccsc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173074 1318510989 /nfs/dbraw/zinc/51/09/89/1318510989.db2.gz TVDMONCYYVKEEW-HNNXBMFYSA-N 1 2 346.408 3.396 20 5 EGBDLO C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815650711 1319037429 /nfs/dbraw/zinc/03/74/29/1319037429.db2.gz ZDNODKIYUUIZBV-QMMMGPOBSA-N 1 2 325.290 3.445 20 5 EGBDLO Cc1cc(C)c(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000837105085 1320573123 /nfs/dbraw/zinc/57/31/23/1320573123.db2.gz ORFZKHNYHHCPAB-UHFFFAOYSA-N 1 2 335.310 3.015 20 5 EGBDLO Cc1nn(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000842647041 1321413442 /nfs/dbraw/zinc/41/34/42/1321413442.db2.gz XLBBYRMCMCYLBW-ZDUSSCGKSA-N 1 2 344.415 3.244 20 5 EGBDLO Cc1nn(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000842647041 1321413445 /nfs/dbraw/zinc/41/34/45/1321413445.db2.gz XLBBYRMCMCYLBW-ZDUSSCGKSA-N 1 2 344.415 3.244 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000845509534 1321714649 /nfs/dbraw/zinc/71/46/49/1321714649.db2.gz ROUIAWALMFUDBF-SNVBAGLBSA-N 1 2 336.754 3.473 20 5 EGBDLO COC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000852445450 1323192650 /nfs/dbraw/zinc/19/26/50/1323192650.db2.gz CIMUACSPNCANKX-MRXNPFEDSA-N 1 2 334.347 3.220 20 5 EGBDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029213305 1340955977 /nfs/dbraw/zinc/95/59/77/1340955977.db2.gz AGOHNWFMWJKLDG-IYBDPMFKSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029213305 1340955979 /nfs/dbraw/zinc/95/59/79/1340955979.db2.gz AGOHNWFMWJKLDG-IYBDPMFKSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039502109 1345117575 /nfs/dbraw/zinc/11/75/75/1345117575.db2.gz SVAXDTVKNRUBRG-HDICACEKSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039502109 1345117578 /nfs/dbraw/zinc/11/75/78/1345117578.db2.gz SVAXDTVKNRUBRG-HDICACEKSA-N 1 2 345.443 3.206 20 5 EGBDLO Cc1ccc(Nc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001214171232 1373019339 /nfs/dbraw/zinc/01/93/39/1373019339.db2.gz APLJMRXLHZBGKV-UHFFFAOYSA-N 1 2 327.384 3.479 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218010107 1373535681 /nfs/dbraw/zinc/53/56/81/1373535681.db2.gz LXAVPJGGUJWIOR-VIFPVBQESA-N 1 2 327.114 3.278 20 5 EGBDLO Nc1cc(CNc2c(Br)cc(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC001167616944 1383689573 /nfs/dbraw/zinc/68/95/73/1383689573.db2.gz CUFSJTGDDLWOOF-UHFFFAOYSA-N 1 2 341.140 3.086 20 5 EGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001173233172 1384941309 /nfs/dbraw/zinc/94/13/09/1384941309.db2.gz JGXAUQLAIUGQNZ-ZDUSSCGKSA-N 1 2 330.359 3.428 20 5 EGBDLO C[N@@H+](Cc1cc(F)cc(F)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC001343771267 1390735894 /nfs/dbraw/zinc/73/58/94/1390735894.db2.gz HNEGSLXTWYNJNW-UHFFFAOYSA-N 1 2 332.310 3.312 20 5 EGBDLO C[N@H+](Cc1cc(F)cc(F)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC001343771267 1390735895 /nfs/dbraw/zinc/73/58/95/1390735895.db2.gz HNEGSLXTWYNJNW-UHFFFAOYSA-N 1 2 332.310 3.312 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000050124173 214047257 /nfs/dbraw/zinc/04/72/57/214047257.db2.gz FKFUOPCGKJJDHC-CQSZACIVSA-N 1 2 328.372 3.185 20 5 EGBDLO CSc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000194707616 295675289 /nfs/dbraw/zinc/67/52/89/295675289.db2.gz RIXVGZMUYOQEOX-LBPRGKRZSA-N 1 2 346.412 3.407 20 5 EGBDLO CC[C@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(N)=O ZINC000072086339 216006158 /nfs/dbraw/zinc/00/61/58/216006158.db2.gz AIWKXJMFGAVPAT-HNNXBMFYSA-N 1 2 336.420 3.392 20 5 EGBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)[nH+]1 ZINC000020667401 212160724 /nfs/dbraw/zinc/16/07/24/212160724.db2.gz BHWMSRRYRWWOJN-UHFFFAOYSA-N 1 2 341.415 3.143 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000111375893 220148060 /nfs/dbraw/zinc/14/80/60/220148060.db2.gz SSNOTISNPXAFCU-MNOVXSKESA-N 1 2 348.428 3.292 20 5 EGBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000112114858 284617431 /nfs/dbraw/zinc/61/74/31/284617431.db2.gz ZCSSFHNKQYMLHL-ZDUSSCGKSA-N 1 2 334.763 3.339 20 5 EGBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000356332335 141342050 /nfs/dbraw/zinc/34/20/50/141342050.db2.gz FWXCWSYPXNOMMI-ZDUSSCGKSA-N 1 2 342.399 3.479 20 5 EGBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344704205 144211944 /nfs/dbraw/zinc/21/19/44/144211944.db2.gz MEIYWSTWTIXYNG-INIZCTEOSA-N 1 2 344.367 3.382 20 5 EGBDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344704205 144211945 /nfs/dbraw/zinc/21/19/45/144211945.db2.gz MEIYWSTWTIXYNG-INIZCTEOSA-N 1 2 344.367 3.382 20 5 EGBDLO C[C@H]1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)S1=O ZINC000361654675 144343770 /nfs/dbraw/zinc/34/37/70/144343770.db2.gz LWMXTBWEPNBNJR-STQMWFEESA-N 1 2 348.424 3.196 20 5 EGBDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc([N+](=O)[O-])c1 ZINC000122111742 152390711 /nfs/dbraw/zinc/39/07/11/152390711.db2.gz PJXFQNKQKJJBPF-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO Cc1[nH+]cccc1Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000346862191 156168989 /nfs/dbraw/zinc/16/89/89/156168989.db2.gz BRRHOOVLJCDGOW-UHFFFAOYSA-N 1 2 349.350 3.344 20 5 EGBDLO Cc1cc(C(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)[nH]1 ZINC000348951929 156299700 /nfs/dbraw/zinc/29/97/00/156299700.db2.gz SXMSBUQAFQKCRW-UHFFFAOYSA-N 1 2 327.384 3.387 20 5 EGBDLO Cc1cc(C(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)[nH]1 ZINC000348951929 156299702 /nfs/dbraw/zinc/29/97/02/156299702.db2.gz SXMSBUQAFQKCRW-UHFFFAOYSA-N 1 2 327.384 3.387 20 5 EGBDLO CCN(CC)c1ncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000093338216 162004042 /nfs/dbraw/zinc/00/40/42/162004042.db2.gz PHPVTUNZMFXZBB-UHFFFAOYSA-N 1 2 346.456 3.456 20 5 EGBDLO CCN(CC)c1ncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000093338216 162004045 /nfs/dbraw/zinc/00/40/45/162004045.db2.gz PHPVTUNZMFXZBB-UHFFFAOYSA-N 1 2 346.456 3.456 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000126147298 162295052 /nfs/dbraw/zinc/29/50/52/162295052.db2.gz VWOLPULDCVNLNP-DOMZBBRYSA-N 1 2 329.404 3.495 20 5 EGBDLO Cc1c(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000344081183 164098782 /nfs/dbraw/zinc/09/87/82/164098782.db2.gz GYOBHOSTZJRUFX-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO Cc1noc([C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000345335407 164205130 /nfs/dbraw/zinc/20/51/30/164205130.db2.gz RMTDDFHVAFUQKH-ZBEGNZNMSA-N 1 2 346.387 3.105 20 5 EGBDLO C[NH+](C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000355830130 166322469 /nfs/dbraw/zinc/32/24/69/166322469.db2.gz DXOHCQAWFMUEEU-OAHLLOKOSA-N 1 2 333.775 3.490 20 5 EGBDLO Cc1cc(NCCc2cccc(C)[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359839845 167245622 /nfs/dbraw/zinc/24/56/22/167245622.db2.gz HDXNRJOZPZOSED-UHFFFAOYSA-N 1 2 349.394 3.140 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1F ZINC000364962076 168006131 /nfs/dbraw/zinc/00/61/31/168006131.db2.gz KDNYVQPGYXCXFG-LJQANCHMSA-N 1 2 342.370 3.408 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1F ZINC000364962076 168006133 /nfs/dbraw/zinc/00/61/33/168006133.db2.gz KDNYVQPGYXCXFG-LJQANCHMSA-N 1 2 342.370 3.408 20 5 EGBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171956748 227388614 /nfs/dbraw/zinc/38/86/14/227388614.db2.gz PWJGWKUKVOJVTB-LLVKDONJSA-N 1 2 341.383 3.079 20 5 EGBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171956748 227388619 /nfs/dbraw/zinc/38/86/19/227388619.db2.gz PWJGWKUKVOJVTB-LLVKDONJSA-N 1 2 341.383 3.079 20 5 EGBDLO C[N@H+](Cc1cc2ccccc2o1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000175191873 265099964 /nfs/dbraw/zinc/09/99/64/265099964.db2.gz NNADGGRIQZNCJC-UHFFFAOYSA-N 1 2 339.351 3.072 20 5 EGBDLO C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000175191873 265099967 /nfs/dbraw/zinc/09/99/67/265099967.db2.gz NNADGGRIQZNCJC-UHFFFAOYSA-N 1 2 339.351 3.072 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177267417 265243544 /nfs/dbraw/zinc/24/35/44/265243544.db2.gz SRZZRIWSDAPJED-UHFFFAOYSA-N 1 2 336.145 3.313 20 5 EGBDLO Cc1cccc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)c1[N+](=O)[O-] ZINC000275477926 267368303 /nfs/dbraw/zinc/36/83/03/267368303.db2.gz PBSISJIFRRNJRZ-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000031815031 275122775 /nfs/dbraw/zinc/12/27/75/275122775.db2.gz RTYJEULRMZOFTD-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[NH2+]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000184436453 275211894 /nfs/dbraw/zinc/21/18/94/275211894.db2.gz GMRQPMGKFBQIFK-SFHVURJKSA-N 1 2 328.368 3.417 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279918678 275375821 /nfs/dbraw/zinc/37/58/21/275375821.db2.gz WDZQWDPGQSNXFF-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279918678 275375823 /nfs/dbraw/zinc/37/58/23/275375823.db2.gz WDZQWDPGQSNXFF-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO Cc1cnc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000284089434 275773514 /nfs/dbraw/zinc/77/35/14/275773514.db2.gz LULMWKLIMBCIGN-UHFFFAOYSA-N 1 2 336.373 3.293 20 5 EGBDLO COCC[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000287380701 276114157 /nfs/dbraw/zinc/11/41/57/276114157.db2.gz MVZPVUHNLBRCPQ-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000287380701 276114158 /nfs/dbraw/zinc/11/41/58/276114158.db2.gz MVZPVUHNLBRCPQ-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCn1c(C)[nH+]c2ccccc21 ZINC000288086317 276181740 /nfs/dbraw/zinc/18/17/40/276181740.db2.gz IIBIETJMQBSQOI-UHFFFAOYSA-N 1 2 342.403 3.280 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC000289452201 276341123 /nfs/dbraw/zinc/34/11/23/276341123.db2.gz FQUZDCYAEZFNIR-CVEARBPZSA-N 1 2 338.354 3.407 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC000289452201 276341124 /nfs/dbraw/zinc/34/11/24/276341124.db2.gz FQUZDCYAEZFNIR-CVEARBPZSA-N 1 2 338.354 3.407 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000289623014 276367803 /nfs/dbraw/zinc/36/78/03/276367803.db2.gz ROODFPDVZVVBRZ-CVEARBPZSA-N 1 2 347.371 3.037 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000289623014 276367805 /nfs/dbraw/zinc/36/78/05/276367805.db2.gz ROODFPDVZVVBRZ-CVEARBPZSA-N 1 2 347.371 3.037 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000360668767 281012273 /nfs/dbraw/zinc/01/22/73/281012273.db2.gz KRKHEZVNJQVIFO-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000074530435 307394311 /nfs/dbraw/zinc/39/43/11/307394311.db2.gz NOHJEINFMOLTLO-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000414092550 309060457 /nfs/dbraw/zinc/06/04/57/309060457.db2.gz DZGPNGLEHFWZIB-VHSXEESVSA-N 1 2 335.385 3.250 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000414309240 309072263 /nfs/dbraw/zinc/07/22/63/309072263.db2.gz JCWBIAKXUIDVCM-OAGGEKHMSA-N 1 2 332.379 3.288 20 5 EGBDLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000255455077 308051061 /nfs/dbraw/zinc/05/10/61/308051061.db2.gz FYYYENQWILMEDL-RYWCDNDXSA-N 1 2 343.349 3.176 20 5 EGBDLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000255455077 308051063 /nfs/dbraw/zinc/05/10/63/308051063.db2.gz FYYYENQWILMEDL-RYWCDNDXSA-N 1 2 343.349 3.176 20 5 EGBDLO CCn1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000414482811 309083358 /nfs/dbraw/zinc/08/33/58/309083358.db2.gz NQDCWZRJRINCSO-UHFFFAOYSA-N 1 2 343.412 3.225 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295835182 308365232 /nfs/dbraw/zinc/36/52/32/308365232.db2.gz ITZZFLKIQGCKPT-ZDUSSCGKSA-N 1 2 348.790 3.205 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)C1CC[NH+](CC(F)F)CC1 ZINC000297828449 308566433 /nfs/dbraw/zinc/56/64/33/308566433.db2.gz QNPMJQWFKXXMDC-UHFFFAOYSA-N 1 2 347.749 3.164 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] ZINC000298800099 308641020 /nfs/dbraw/zinc/64/10/20/308641020.db2.gz DVAIDWXVJBSRGR-JTQLQIEISA-N 1 2 344.396 3.464 20 5 EGBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000301244919 308693239 /nfs/dbraw/zinc/69/32/39/308693239.db2.gz KVHCDCKEPSJTNU-XJKSGUPXSA-N 1 2 342.399 3.364 20 5 EGBDLO Cc1cccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000302492692 308738173 /nfs/dbraw/zinc/73/81/73/308738173.db2.gz KSCHLEZXWXWORF-HNNXBMFYSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1cc(N(C)CC[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302728917 308743376 /nfs/dbraw/zinc/74/33/76/308743376.db2.gz ULWGPQUWWXMKNI-INIZCTEOSA-N 1 2 342.399 3.366 20 5 EGBDLO Cc1cc(C)c(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c[nH+]1 ZINC000397062029 308904191 /nfs/dbraw/zinc/90/41/91/308904191.db2.gz YBIIEDHDJVLXPY-UHFFFAOYSA-N 1 2 326.356 3.103 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(O)(C(F)(F)F)CC3)c2c1 ZINC000413214623 309021879 /nfs/dbraw/zinc/02/18/79/309021879.db2.gz WDRAPKIFJGDYRX-UHFFFAOYSA-N 1 2 341.289 3.037 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000421788159 309340164 /nfs/dbraw/zinc/34/01/64/309340164.db2.gz RSMPIZGLIFJMAD-SJKOYZFVSA-N 1 2 342.399 3.131 20 5 EGBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]c1ccc2c(c1)CCN2 ZINC000423204874 309390322 /nfs/dbraw/zinc/39/03/22/309390322.db2.gz ASBHJPGRLCOIEC-GFCCVEGCSA-N 1 2 340.383 3.392 20 5 EGBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423204874 309390323 /nfs/dbraw/zinc/39/03/23/309390323.db2.gz ASBHJPGRLCOIEC-GFCCVEGCSA-N 1 2 340.383 3.392 20 5 EGBDLO CC[C@@H](NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000442795371 309887328 /nfs/dbraw/zinc/88/73/28/309887328.db2.gz DRZZUNCPQSMFLV-DZGCQCFKSA-N 1 2 330.388 3.154 20 5 EGBDLO C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(F)(F)F ZINC000447803767 309989108 /nfs/dbraw/zinc/98/91/08/309989108.db2.gz BWERDYOPYZWRJZ-LLVKDONJSA-N 1 2 347.337 3.037 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448903788 310023239 /nfs/dbraw/zinc/02/32/39/310023239.db2.gz JSMKVZJSVXIKSJ-CHWSQXEVSA-N 1 2 328.372 3.184 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000449570212 310072827 /nfs/dbraw/zinc/07/28/27/310072827.db2.gz AAOCWGWJCCZAMX-UDFXALJUSA-N 1 2 336.457 3.231 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000449570212 310072828 /nfs/dbraw/zinc/07/28/28/310072828.db2.gz AAOCWGWJCCZAMX-UDFXALJUSA-N 1 2 336.457 3.231 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000449949929 310095586 /nfs/dbraw/zinc/09/55/86/310095586.db2.gz DJRPYIXLMGOOTI-UKRRQHHQSA-N 1 2 340.383 3.185 20 5 EGBDLO C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000450378335 310118966 /nfs/dbraw/zinc/11/89/66/310118966.db2.gz LIOQPBBRZRWCIP-DYVFJYSZSA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000450378334 310119067 /nfs/dbraw/zinc/11/90/67/310119067.db2.gz LIOQPBBRZRWCIP-CXAGYDPISA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@H]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451184603 310164660 /nfs/dbraw/zinc/16/46/60/310164660.db2.gz ANPKUKPDKQWHGX-GXTWGEPZSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336079 310224061 /nfs/dbraw/zinc/22/40/61/310224061.db2.gz SXRWFMZMGUQOPG-LLVKDONJSA-N 1 2 346.412 3.247 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1(C)C ZINC000452454926 310228442 /nfs/dbraw/zinc/22/84/42/310228442.db2.gz WGOVRGMNENFYCY-CYBMUJFWSA-N 1 2 348.790 3.205 20 5 EGBDLO CCC(C)(C)OCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000453408284 310275631 /nfs/dbraw/zinc/27/56/31/310275631.db2.gz NASJKXZSSSGYGO-INIZCTEOSA-N 1 2 346.431 3.213 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000456347946 310400174 /nfs/dbraw/zinc/40/01/74/310400174.db2.gz HZBDFZJTBXNNQW-CYBMUJFWSA-N 1 2 330.388 3.227 20 5 EGBDLO Cc1cc(N[C@H](C)Cc2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000487626337 311031659 /nfs/dbraw/zinc/03/16/59/311031659.db2.gz HRZJOMAXEZSEEA-CYBMUJFWSA-N 1 2 349.394 3.220 20 5 EGBDLO O=C(C[NH+]1CCCCC1)Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000533236790 313886320 /nfs/dbraw/zinc/88/63/20/313886320.db2.gz QTCGLWIBXBUABU-UHFFFAOYSA-N 1 2 346.431 3.010 20 5 EGBDLO COC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536642667 314133883 /nfs/dbraw/zinc/13/38/83/314133883.db2.gz TUTYMALFXNYLRC-XFFZJAGNSA-N 1 2 340.379 3.283 20 5 EGBDLO COC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536642667 314133886 /nfs/dbraw/zinc/13/38/86/314133886.db2.gz TUTYMALFXNYLRC-XFFZJAGNSA-N 1 2 340.379 3.283 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000539598958 314323240 /nfs/dbraw/zinc/32/32/40/314323240.db2.gz BPRDALBMEGBZSC-AWEZNQCLSA-N 1 2 342.399 3.308 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000555417240 315383268 /nfs/dbraw/zinc/38/32/68/315383268.db2.gz BWXPQQANMWIQSR-UHFFFAOYSA-N 1 2 328.368 3.096 20 5 EGBDLO CC1=CC[N@H+](CCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000565718701 316360860 /nfs/dbraw/zinc/36/08/60/316360860.db2.gz DUQPNKRASFTKGN-OAHLLOKOSA-N 1 2 343.349 3.440 20 5 EGBDLO CC1=CC[N@@H+](CCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000565718701 316360862 /nfs/dbraw/zinc/36/08/62/316360862.db2.gz DUQPNKRASFTKGN-OAHLLOKOSA-N 1 2 343.349 3.440 20 5 EGBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[nH+]1 ZINC000568520697 316786551 /nfs/dbraw/zinc/78/65/51/316786551.db2.gz MBMBSKREFCWMDF-UHFFFAOYSA-N 1 2 328.328 3.038 20 5 EGBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000173976207 323299991 /nfs/dbraw/zinc/29/99/91/323299991.db2.gz BKVIINSYDUTIEM-CYBMUJFWSA-N 1 2 338.367 3.419 20 5 EGBDLO O=[N+]([O-])c1cccc(OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421186618 324313821 /nfs/dbraw/zinc/31/38/21/324313821.db2.gz SSRZQFSFGNJFCV-UHFFFAOYSA-N 1 2 328.368 3.006 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000007360641 453064097 /nfs/dbraw/zinc/06/40/97/453064097.db2.gz JBLJECWOXBBLQU-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000007360641 453064108 /nfs/dbraw/zinc/06/41/08/453064108.db2.gz JBLJECWOXBBLQU-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000020685024 453668387 /nfs/dbraw/zinc/66/83/87/453668387.db2.gz YRDVJGWELBMDBL-UHFFFAOYSA-N 1 2 338.367 3.058 20 5 EGBDLO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347069 453797549 /nfs/dbraw/zinc/79/75/49/453797549.db2.gz ZEYXTKQGUZEPSY-AWEZNQCLSA-N 1 2 327.384 3.362 20 5 EGBDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347069 453797552 /nfs/dbraw/zinc/79/75/52/453797552.db2.gz ZEYXTKQGUZEPSY-AWEZNQCLSA-N 1 2 327.384 3.362 20 5 EGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347767 453797693 /nfs/dbraw/zinc/79/76/93/453797693.db2.gz JKFKLRBFUSXULG-HNNXBMFYSA-N 1 2 341.411 3.246 20 5 EGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347767 453797695 /nfs/dbraw/zinc/79/76/95/453797695.db2.gz JKFKLRBFUSXULG-HNNXBMFYSA-N 1 2 341.411 3.246 20 5 EGBDLO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026372434 453798155 /nfs/dbraw/zinc/79/81/55/453798155.db2.gz UNGLJXWSTSWQJS-LLVKDONJSA-N 1 2 342.380 3.362 20 5 EGBDLO O=[N+]([O-])c1ccccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029525920 453829495 /nfs/dbraw/zinc/82/94/95/453829495.db2.gz GDARVKYSSOLIMS-SFHVURJKSA-N 1 2 327.384 3.080 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000066372385 453840198 /nfs/dbraw/zinc/84/01/98/453840198.db2.gz KNDNMTMJLBCABS-UHFFFAOYSA-N 1 2 339.311 3.301 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]1c1ccccc1 ZINC000053080589 453856511 /nfs/dbraw/zinc/85/65/11/453856511.db2.gz FXHASYNPPQTPME-MRXNPFEDSA-N 1 2 348.362 3.368 20 5 EGBDLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000056545878 454066484 /nfs/dbraw/zinc/06/64/84/454066484.db2.gz LNCVYJVDCIVZRK-UHFFFAOYSA-N 1 2 337.767 3.047 20 5 EGBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000246060920 455419485 /nfs/dbraw/zinc/41/94/85/455419485.db2.gz YIMCCUSRTJJHIY-WDEREUQCSA-N 1 2 325.796 3.165 20 5 EGBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000246060920 455419488 /nfs/dbraw/zinc/41/94/88/455419488.db2.gz YIMCCUSRTJJHIY-WDEREUQCSA-N 1 2 325.796 3.165 20 5 EGBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000069972246 454162091 /nfs/dbraw/zinc/16/20/91/454162091.db2.gz CTCSDYPPWFEBOT-CQSZACIVSA-N 1 2 344.390 3.008 20 5 EGBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000078004985 454176591 /nfs/dbraw/zinc/17/65/91/454176591.db2.gz YOLKLMZQCUAHLM-STQMWFEESA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130514245 454202853 /nfs/dbraw/zinc/20/28/53/454202853.db2.gz UJAJCDAMWURSTL-GASCZTMLSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130514245 454202857 /nfs/dbraw/zinc/20/28/57/454202857.db2.gz UJAJCDAMWURSTL-GASCZTMLSA-N 1 2 345.443 3.349 20 5 EGBDLO Cc1cc(NCC[C@H](O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078342171 454236934 /nfs/dbraw/zinc/23/69/34/454236934.db2.gz JZCJLDKJBYKQEP-HNNXBMFYSA-N 1 2 330.388 3.179 20 5 EGBDLO C[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000046599038 454263799 /nfs/dbraw/zinc/26/37/99/454263799.db2.gz QVTUUOIKQJRSCH-WBVHZDCISA-N 1 2 345.443 3.208 20 5 EGBDLO C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000046599038 454263804 /nfs/dbraw/zinc/26/38/04/454263804.db2.gz QVTUUOIKQJRSCH-WBVHZDCISA-N 1 2 345.443 3.208 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)s1 ZINC000064029095 454463438 /nfs/dbraw/zinc/46/34/38/454463438.db2.gz VVHDZIJDXSOPCT-QPJJXVBHSA-N 1 2 329.425 3.492 20 5 EGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000065152997 454532421 /nfs/dbraw/zinc/53/24/21/454532421.db2.gz BSZBHRFCEJZQMX-UHFFFAOYSA-N 1 2 340.314 3.387 20 5 EGBDLO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cscn1 ZINC000104677055 454595284 /nfs/dbraw/zinc/59/52/84/454595284.db2.gz FTFBDIZEBVJQOO-UHFFFAOYSA-N 1 2 344.396 3.381 20 5 EGBDLO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cscn1 ZINC000104677055 454595287 /nfs/dbraw/zinc/59/52/87/454595287.db2.gz FTFBDIZEBVJQOO-UHFFFAOYSA-N 1 2 344.396 3.381 20 5 EGBDLO CCOC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065684377 454610482 /nfs/dbraw/zinc/61/04/82/454610482.db2.gz YRUNPWGSMSQDHR-UHFFFAOYSA-N 1 2 342.395 3.203 20 5 EGBDLO CCOC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065684377 454610485 /nfs/dbraw/zinc/61/04/85/454610485.db2.gz YRUNPWGSMSQDHR-UHFFFAOYSA-N 1 2 342.395 3.203 20 5 EGBDLO Cc1c(NC(=O)NCCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000104977103 454613443 /nfs/dbraw/zinc/61/34/43/454613443.db2.gz AATNHBYRWUAVEW-UHFFFAOYSA-N 1 2 343.387 3.312 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000093341718 454705065 /nfs/dbraw/zinc/70/50/65/454705065.db2.gz AQBHWRXRQXSYGZ-SFHVURJKSA-N 1 2 328.368 3.048 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000093341718 454705068 /nfs/dbraw/zinc/70/50/68/454705068.db2.gz AQBHWRXRQXSYGZ-SFHVURJKSA-N 1 2 328.368 3.048 20 5 EGBDLO Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)ncc1[N+](=O)[O-] ZINC000152929002 454742438 /nfs/dbraw/zinc/74/24/38/454742438.db2.gz CGMTUIRWJUVVPA-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CN(Cc1ccccc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000139268442 454803411 /nfs/dbraw/zinc/80/34/11/454803411.db2.gz RGSRJZMUYGKSCT-UHFFFAOYSA-N 1 2 341.411 3.063 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000170707625 454961791 /nfs/dbraw/zinc/96/17/91/454961791.db2.gz PMKPHZRHISPHCW-UHFFFAOYSA-N 1 2 349.778 3.314 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000128129288 455027975 /nfs/dbraw/zinc/02/79/75/455027975.db2.gz VYRPFVKWDXURTL-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000128129288 455027978 /nfs/dbraw/zinc/02/79/78/455027978.db2.gz VYRPFVKWDXURTL-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000117152786 455080108 /nfs/dbraw/zinc/08/01/08/455080108.db2.gz OYJUNHKYSXFVCK-CQSZACIVSA-N 1 2 342.399 3.433 20 5 EGBDLO Cc1nc(C2([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCCC2)no1 ZINC000237705074 455210392 /nfs/dbraw/zinc/21/03/92/455210392.db2.gz QGJZFJSRWRWHMH-SOFGYWHQSA-N 1 2 328.372 3.359 20 5 EGBDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000161189075 455545708 /nfs/dbraw/zinc/54/57/08/455545708.db2.gz QVDNTLAWDCRTIC-CQSZACIVSA-N 1 2 342.399 3.147 20 5 EGBDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000161189075 455545714 /nfs/dbraw/zinc/54/57/14/455545714.db2.gz QVDNTLAWDCRTIC-CQSZACIVSA-N 1 2 342.399 3.147 20 5 EGBDLO Cc1cc(CN2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182597868 455549894 /nfs/dbraw/zinc/54/98/94/455549894.db2.gz QGWXODPRNHGFFB-HNNXBMFYSA-N 1 2 344.415 3.078 20 5 EGBDLO COc1ccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000292240868 455606741 /nfs/dbraw/zinc/60/67/41/455606741.db2.gz RQLITESZZTZBOI-MRXNPFEDSA-N 1 2 345.403 3.133 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000192529375 455637217 /nfs/dbraw/zinc/63/72/17/455637217.db2.gz JZIBHTFGANQBHA-UHFFFAOYSA-N 1 2 344.350 3.057 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000284300127 455665978 /nfs/dbraw/zinc/66/59/78/455665978.db2.gz ZCRTYOWRZMXLDW-UHFFFAOYSA-N 1 2 328.328 3.063 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000284300127 455665982 /nfs/dbraw/zinc/66/59/82/455665982.db2.gz ZCRTYOWRZMXLDW-UHFFFAOYSA-N 1 2 328.328 3.063 20 5 EGBDLO Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292689394 455732272 /nfs/dbraw/zinc/73/22/72/455732272.db2.gz RLSHWYFUKMGKDO-AWEZNQCLSA-N 1 2 344.390 3.321 20 5 EGBDLO Cc1cc(F)c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000296664883 456004907 /nfs/dbraw/zinc/00/49/07/456004907.db2.gz GUDDNSZSPGTMQJ-NSHDSACASA-N 1 2 347.350 3.177 20 5 EGBDLO CCc1cc(NC[C@](C)(O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301290082 456082279 /nfs/dbraw/zinc/08/22/79/456082279.db2.gz WKDDCYZUEHOEGH-SFHVURJKSA-N 1 2 344.415 3.433 20 5 EGBDLO CCC1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000263681922 456191050 /nfs/dbraw/zinc/19/10/50/456191050.db2.gz HCCCPLVUUQSJDQ-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000301995429 456266668 /nfs/dbraw/zinc/26/66/68/456266668.db2.gz PGNZMQCROOAMIX-QPJJXVBHSA-N 1 2 329.425 3.492 20 5 EGBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000343157106 456440772 /nfs/dbraw/zinc/44/07/72/456440772.db2.gz IMFYCDJKBFPLPY-CQSZACIVSA-N 1 2 330.391 3.403 20 5 EGBDLO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccncc1 ZINC000348119949 456496096 /nfs/dbraw/zinc/49/60/96/456496096.db2.gz AIXGPKZRXOSAPM-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccncc1 ZINC000348119949 456496103 /nfs/dbraw/zinc/49/61/03/456496103.db2.gz AIXGPKZRXOSAPM-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO Cc1cc[nH+]cc1N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000340598843 456558047 /nfs/dbraw/zinc/55/80/47/456558047.db2.gz BCJNGQBUUBTFIF-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000343586164 456726861 /nfs/dbraw/zinc/72/68/61/456726861.db2.gz YRVBJKRLTQQPDN-UHFFFAOYSA-N 1 2 348.428 3.039 20 5 EGBDLO CCOC(=O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000338956055 456875552 /nfs/dbraw/zinc/87/55/52/456875552.db2.gz HRFGYHLPWGZMMG-UHFFFAOYSA-N 1 2 348.321 3.387 20 5 EGBDLO CCOC(=O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000338956055 456875557 /nfs/dbraw/zinc/87/55/57/456875557.db2.gz HRFGYHLPWGZMMG-UHFFFAOYSA-N 1 2 348.321 3.387 20 5 EGBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCN(c2ccccc2)CC1 ZINC000339146139 456963448 /nfs/dbraw/zinc/96/34/48/456963448.db2.gz OPMYQJTZJHJEBQ-UHFFFAOYSA-N 1 2 341.411 3.401 20 5 EGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCN(c2ccccc2)CC1 ZINC000339146139 456963451 /nfs/dbraw/zinc/96/34/51/456963451.db2.gz OPMYQJTZJHJEBQ-UHFFFAOYSA-N 1 2 341.411 3.401 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000362616514 457006180 /nfs/dbraw/zinc/00/61/80/457006180.db2.gz MWERRLCDUWIHEA-UHFFFAOYSA-N 1 2 332.791 3.271 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000362616514 457006184 /nfs/dbraw/zinc/00/61/84/457006184.db2.gz MWERRLCDUWIHEA-UHFFFAOYSA-N 1 2 332.791 3.271 20 5 EGBDLO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000330728940 457078584 /nfs/dbraw/zinc/07/85/84/457078584.db2.gz HDEBHTSJQKTSNQ-SWLSCSKDSA-N 1 2 346.387 3.063 20 5 EGBDLO CC(C)[C@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000330728940 457078590 /nfs/dbraw/zinc/07/85/90/457078590.db2.gz HDEBHTSJQKTSNQ-SWLSCSKDSA-N 1 2 346.387 3.063 20 5 EGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000332045290 457294181 /nfs/dbraw/zinc/29/41/81/457294181.db2.gz LPRLXYADNUWAEC-CYBMUJFWSA-N 1 2 333.323 3.216 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000364946309 457718790 /nfs/dbraw/zinc/71/87/90/457718790.db2.gz FIEPWDDFWKMCJK-WMZOPIPTSA-N 1 2 346.427 3.288 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000364946309 457718793 /nfs/dbraw/zinc/71/87/93/457718793.db2.gz FIEPWDDFWKMCJK-WMZOPIPTSA-N 1 2 346.427 3.288 20 5 EGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)on1 ZINC000444597307 457914551 /nfs/dbraw/zinc/91/45/51/457914551.db2.gz OMBCFYZPMXMXMK-CQSZACIVSA-N 1 2 327.344 3.105 20 5 EGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)on1 ZINC000444597307 457914558 /nfs/dbraw/zinc/91/45/58/457914558.db2.gz OMBCFYZPMXMXMK-CQSZACIVSA-N 1 2 327.344 3.105 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000427455639 457989461 /nfs/dbraw/zinc/98/94/61/457989461.db2.gz DEQRFPICQLQMOY-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO CCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000362452706 458187478 /nfs/dbraw/zinc/18/74/78/458187478.db2.gz WGAPJYMHTVRBNJ-AWEZNQCLSA-N 1 2 349.431 3.203 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000362523039 458243085 /nfs/dbraw/zinc/24/30/85/458243085.db2.gz DCZVSWAJXIPCFJ-KRWDZBQOSA-N 1 2 348.443 3.346 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000362523039 458243093 /nfs/dbraw/zinc/24/30/93/458243093.db2.gz DCZVSWAJXIPCFJ-KRWDZBQOSA-N 1 2 348.443 3.346 20 5 EGBDLO Cc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000373104739 458398453 /nfs/dbraw/zinc/39/84/53/458398453.db2.gz QZLSUTUOPMYTBY-ZDUSSCGKSA-N 1 2 343.387 3.048 20 5 EGBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc2c(s1)CCC2 ZINC000459631940 458430901 /nfs/dbraw/zinc/43/09/01/458430901.db2.gz MHTBEOZQLHXSQI-VIFPVBQESA-N 1 2 343.412 3.267 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437572732 458468338 /nfs/dbraw/zinc/46/83/38/458468338.db2.gz XAJAJNXBIQNORT-DYVFJYSZSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437572732 458468343 /nfs/dbraw/zinc/46/83/43/458468343.db2.gz XAJAJNXBIQNORT-DYVFJYSZSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@@H](C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000459835334 458486004 /nfs/dbraw/zinc/48/60/04/458486004.db2.gz XREMDLHPQLSZFQ-JTQLQIEISA-N 1 2 344.358 3.283 20 5 EGBDLO C[C@@H](C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000459835334 458486009 /nfs/dbraw/zinc/48/60/09/458486009.db2.gz XREMDLHPQLSZFQ-JTQLQIEISA-N 1 2 344.358 3.283 20 5 EGBDLO COc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000459932454 458492044 /nfs/dbraw/zinc/49/20/44/458492044.db2.gz PLPJTNMRXMHLMF-UHFFFAOYSA-N 1 2 333.319 3.315 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000373638775 458561516 /nfs/dbraw/zinc/56/15/16/458561516.db2.gz NFHYCDZTEYFVFK-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000373638775 458561522 /nfs/dbraw/zinc/56/15/22/458561522.db2.gz NFHYCDZTEYFVFK-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000432323948 458715752 /nfs/dbraw/zinc/71/57/52/458715752.db2.gz FMYTUOJOLDTTRR-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000464844116 458784222 /nfs/dbraw/zinc/78/42/22/458784222.db2.gz DMTMZLKJBHMUIE-QAPCUYQASA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000464844116 458784227 /nfs/dbraw/zinc/78/42/27/458784227.db2.gz DMTMZLKJBHMUIE-QAPCUYQASA-N 1 2 342.395 3.436 20 5 EGBDLO COC(=O)c1cc([C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)oc1C ZINC000432822537 458793515 /nfs/dbraw/zinc/79/35/15/458793515.db2.gz MTANGSWXGIFXPP-NSHDSACASA-N 1 2 344.367 3.402 20 5 EGBDLO COC(=O)c1cc([C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)oc1C ZINC000432822537 458793519 /nfs/dbraw/zinc/79/35/19/458793519.db2.gz MTANGSWXGIFXPP-NSHDSACASA-N 1 2 344.367 3.402 20 5 EGBDLO CC[C@@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1[nH]cc[nH+]1 ZINC000442804375 459039210 /nfs/dbraw/zinc/03/92/10/459039210.db2.gz ZEXZDYBSWJUPCC-OAHLLOKOSA-N 1 2 346.390 3.286 20 5 EGBDLO Cc1c(CC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cccc1[N+](=O)[O-] ZINC000533361813 459225182 /nfs/dbraw/zinc/22/51/82/459225182.db2.gz NWEVPXYPEQHTRV-UHFFFAOYSA-N 1 2 336.351 3.475 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533484267 459241727 /nfs/dbraw/zinc/24/17/27/459241727.db2.gz DWLPMBWPTYQYKL-HNNXBMFYSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533484267 459241731 /nfs/dbraw/zinc/24/17/31/459241731.db2.gz DWLPMBWPTYQYKL-HNNXBMFYSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1noc(C[N@H+](C)CCOc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595286003 459265848 /nfs/dbraw/zinc/26/58/48/459265848.db2.gz ACKUIVYJWQAMEJ-UHFFFAOYSA-N 1 2 325.752 3.055 20 5 EGBDLO Cc1noc(C[N@@H+](C)CCOc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595286003 459265855 /nfs/dbraw/zinc/26/58/55/459265855.db2.gz ACKUIVYJWQAMEJ-UHFFFAOYSA-N 1 2 325.752 3.055 20 5 EGBDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595340315 459279580 /nfs/dbraw/zinc/27/95/80/459279580.db2.gz FGMASVILMHZYCX-HSZRJFAPSA-N 1 2 336.388 3.103 20 5 EGBDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595340315 459279584 /nfs/dbraw/zinc/27/95/84/459279584.db2.gz FGMASVILMHZYCX-HSZRJFAPSA-N 1 2 336.388 3.103 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000595405185 459293306 /nfs/dbraw/zinc/29/33/06/459293306.db2.gz VGNCMBFZPMZAGN-ZDUSSCGKSA-N 1 2 345.378 3.109 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000595405185 459293311 /nfs/dbraw/zinc/29/33/11/459293311.db2.gz VGNCMBFZPMZAGN-ZDUSSCGKSA-N 1 2 345.378 3.109 20 5 EGBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1[N+](=O)[O-] ZINC000595415325 459294791 /nfs/dbraw/zinc/29/47/91/459294791.db2.gz MAQLXBCBPXSPAY-QMMMGPOBSA-N 1 2 327.287 3.343 20 5 EGBDLO COc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c(C)c1OC ZINC000595498472 459325029 /nfs/dbraw/zinc/32/50/29/459325029.db2.gz TYXVRHHIEIMIMC-SNVBAGLBSA-N 1 2 335.360 3.068 20 5 EGBDLO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595799211 459446717 /nfs/dbraw/zinc/44/67/17/459446717.db2.gz JZEAHJKTKCKPGU-AWEZNQCLSA-N 1 2 347.394 3.293 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000541699603 459481069 /nfs/dbraw/zinc/48/10/69/459481069.db2.gz IMTDHQJFJROHBL-LJQANCHMSA-N 1 2 326.396 3.428 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000541699603 459481077 /nfs/dbraw/zinc/48/10/77/459481077.db2.gz IMTDHQJFJROHBL-LJQANCHMSA-N 1 2 326.396 3.428 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000584664835 459780987 /nfs/dbraw/zinc/78/09/87/459780987.db2.gz RTXMLKCPCGCIKT-SNVBAGLBSA-N 1 2 334.401 3.311 20 5 EGBDLO CCOCC[N@@H+](CC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602450133 459942799 /nfs/dbraw/zinc/94/27/99/459942799.db2.gz HVJSXTPYOHVLJX-UHFFFAOYSA-N 1 2 337.239 3.277 20 5 EGBDLO CCOCC[N@H+](CC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602450133 459942795 /nfs/dbraw/zinc/94/27/95/459942795.db2.gz HVJSXTPYOHVLJX-UHFFFAOYSA-N 1 2 337.239 3.277 20 5 EGBDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)CO1 ZINC000609681076 460007715 /nfs/dbraw/zinc/00/77/15/460007715.db2.gz QQKJWVGJXYYAQB-UHFFFAOYSA-N 1 2 346.387 3.034 20 5 EGBDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)CO1 ZINC000609681076 460007721 /nfs/dbraw/zinc/00/77/21/460007721.db2.gz QQKJWVGJXYYAQB-UHFFFAOYSA-N 1 2 346.387 3.034 20 5 EGBDLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602606586 460019196 /nfs/dbraw/zinc/01/91/96/460019196.db2.gz BENRDMYUKIWFNL-JTQLQIEISA-N 1 2 349.250 3.154 20 5 EGBDLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602606586 460019199 /nfs/dbraw/zinc/01/91/99/460019199.db2.gz BENRDMYUKIWFNL-JTQLQIEISA-N 1 2 349.250 3.154 20 5 EGBDLO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602626905 460030203 /nfs/dbraw/zinc/03/02/03/460030203.db2.gz NHOYEZOWCCPUHA-GFCCVEGCSA-N 1 2 349.250 3.156 20 5 EGBDLO CC[C@]1(CO)CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602626905 460030209 /nfs/dbraw/zinc/03/02/09/460030209.db2.gz NHOYEZOWCCPUHA-GFCCVEGCSA-N 1 2 349.250 3.156 20 5 EGBDLO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602686388 460064906 /nfs/dbraw/zinc/06/49/06/460064906.db2.gz QOBFLBLZGNSQNE-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO COC[C@@H]1CCCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602686388 460064908 /nfs/dbraw/zinc/06/49/08/460064908.db2.gz QOBFLBLZGNSQNE-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000589373569 460081220 /nfs/dbraw/zinc/08/12/20/460081220.db2.gz WJWZFLAKXZBEEZ-HNNXBMFYSA-N 1 2 343.387 3.223 20 5 EGBDLO C[C@H](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC000598880941 460081507 /nfs/dbraw/zinc/08/15/07/460081507.db2.gz NUKQSLMDJOZXJW-CYBMUJFWSA-N 1 2 328.372 3.112 20 5 EGBDLO CC[C@@]1(O)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000602983667 460211865 /nfs/dbraw/zinc/21/18/65/460211865.db2.gz PMUDJMJOVOEASM-CQSZACIVSA-N 1 2 343.221 3.094 20 5 EGBDLO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000602983667 460211867 /nfs/dbraw/zinc/21/18/67/460211867.db2.gz PMUDJMJOVOEASM-CQSZACIVSA-N 1 2 343.221 3.094 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccn2cc[nH+]c2c1 ZINC000619578607 460388573 /nfs/dbraw/zinc/38/85/73/460388573.db2.gz OZNMGGVGBKIOJU-UHFFFAOYSA-N 1 2 330.731 3.077 20 5 EGBDLO CC[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615992184 460443890 /nfs/dbraw/zinc/44/38/90/460443890.db2.gz JUMGRISVHTYUIM-HNNXBMFYSA-N 1 2 333.432 3.053 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCC(O)CC3)cc2)n1 ZINC000178172524 534329923 /nfs/dbraw/zinc/32/99/23/534329923.db2.gz HSAWKGXQLMVJCV-UHFFFAOYSA-N 1 2 328.372 3.003 20 5 EGBDLO O=C(Nc1cccc(F)c1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342429535 547594831 /nfs/dbraw/zinc/59/48/31/547594831.db2.gz PXMPMEQZAGKONQ-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO C[C@@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000596115240 548108560 /nfs/dbraw/zinc/10/85/60/548108560.db2.gz RRMVXMYEUYGWAH-GHMZBOCLSA-N 1 2 329.347 3.054 20 5 EGBDLO Cc1cc(N[C@H]2CCS[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592001058 574954317 /nfs/dbraw/zinc/95/43/17/574954317.db2.gz OSCMJFYGSRYWPS-RISCZKNCSA-N 1 2 330.413 3.088 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000736744216 576017714 /nfs/dbraw/zinc/01/77/14/576017714.db2.gz YIERHRBQTVFFQT-RMKNXTFCSA-N 1 2 342.351 3.372 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000170922768 1294387538 /nfs/dbraw/zinc/38/75/38/1294387538.db2.gz FTDJIASERQGBND-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2c(C)cccc2C1 ZINC000170922768 1294387543 /nfs/dbraw/zinc/38/75/43/1294387543.db2.gz FTDJIASERQGBND-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(C(F)(F)F)CC3)c2c1 ZINC000173416721 1294461692 /nfs/dbraw/zinc/46/16/92/1294461692.db2.gz DLOUBQUPTHCFCA-UHFFFAOYSA-N 1 2 328.294 3.176 20 5 EGBDLO C[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1c1ccccc1 ZINC000173459034 1294463060 /nfs/dbraw/zinc/46/30/60/1294463060.db2.gz HMMPGVNJVMRIGK-SJCJKPOMSA-N 1 2 339.351 3.153 20 5 EGBDLO C[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1c1ccccc1 ZINC000173459034 1294463061 /nfs/dbraw/zinc/46/30/61/1294463061.db2.gz HMMPGVNJVMRIGK-SJCJKPOMSA-N 1 2 339.351 3.153 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000746986963 1298703322 /nfs/dbraw/zinc/70/33/22/1298703322.db2.gz ZGUMSBSCCPILLQ-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000746986963 1298703331 /nfs/dbraw/zinc/70/33/31/1298703331.db2.gz ZGUMSBSCCPILLQ-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO O=C(c1cccc2[nH+]ccn21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000747448920 1298782193 /nfs/dbraw/zinc/78/21/93/1298782193.db2.gz BKEHBGXDDKYCTQ-UHFFFAOYSA-N 1 2 336.351 3.047 20 5 EGBDLO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(F)c1 ZINC000748820533 1299087727 /nfs/dbraw/zinc/08/77/27/1299087727.db2.gz PCCWOTPJHCBENT-UHFFFAOYSA-N 1 2 337.738 3.116 20 5 EGBDLO CCc1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000749996731 1299320475 /nfs/dbraw/zinc/32/04/75/1299320475.db2.gz TXGKCTYVXSLJHW-UHFFFAOYSA-N 1 2 328.372 3.179 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000877645478 1299453034 /nfs/dbraw/zinc/45/30/34/1299453034.db2.gz MLGSEBZDFKAQDC-MRXNPFEDSA-N 1 2 347.802 3.434 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000877645478 1299453040 /nfs/dbraw/zinc/45/30/40/1299453040.db2.gz MLGSEBZDFKAQDC-MRXNPFEDSA-N 1 2 347.802 3.434 20 5 EGBDLO CCC(CC)C[N@H+](CC)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755263312 1300309976 /nfs/dbraw/zinc/30/99/76/1300309976.db2.gz FHLMFRLBHKBZIX-UHFFFAOYSA-N 1 2 348.403 3.127 20 5 EGBDLO CCC(CC)C[N@@H+](CC)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755263312 1300309986 /nfs/dbraw/zinc/30/99/86/1300309986.db2.gz FHLMFRLBHKBZIX-UHFFFAOYSA-N 1 2 348.403 3.127 20 5 EGBDLO CCCC[NH+](CCCC)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755264763 1300310986 /nfs/dbraw/zinc/31/09/86/1300310986.db2.gz PEMYOCUQICUFHA-UHFFFAOYSA-N 1 2 348.403 3.271 20 5 EGBDLO Cc1cccc2c1C[N@H+](Cn1cc([N+](=O)[O-])c(-c3ccncc3)n1)CC2 ZINC000762086372 1301610419 /nfs/dbraw/zinc/61/04/19/1301610419.db2.gz KAOQSIMGJMWBLE-UHFFFAOYSA-N 1 2 349.394 3.178 20 5 EGBDLO Cc1cccc2c1C[N@@H+](Cn1cc([N+](=O)[O-])c(-c3ccncc3)n1)CC2 ZINC000762086372 1301610432 /nfs/dbraw/zinc/61/04/32/1301610432.db2.gz KAOQSIMGJMWBLE-UHFFFAOYSA-N 1 2 349.394 3.178 20 5 EGBDLO C[NH+](C)[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000881986237 1301773869 /nfs/dbraw/zinc/77/38/69/1301773869.db2.gz YLYYFHSNSJISPW-LBPRGKRZSA-N 1 2 340.305 3.122 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000885946941 1303291532 /nfs/dbraw/zinc/29/15/32/1303291532.db2.gz VPEXUBMJMLNOBY-CQSZACIVSA-N 1 2 333.413 3.233 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000885946941 1303291536 /nfs/dbraw/zinc/29/15/36/1303291536.db2.gz VPEXUBMJMLNOBY-CQSZACIVSA-N 1 2 333.413 3.233 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770926155 1303333874 /nfs/dbraw/zinc/33/38/74/1303333874.db2.gz QBFZKVHTFHOTOB-UHFFFAOYSA-N 1 2 343.364 3.321 20 5 EGBDLO CC(C)[C@H]1C[C@@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774849871 1303866882 /nfs/dbraw/zinc/86/68/82/1303866882.db2.gz LMNJEPIMVXXURO-ZIAGYGMSSA-N 1 2 329.356 3.229 20 5 EGBDLO COCC1=CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000775996778 1304077268 /nfs/dbraw/zinc/07/72/68/1304077268.db2.gz WCXSODNOZVYYDX-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO COCC1=CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000775996778 1304077269 /nfs/dbraw/zinc/07/72/69/1304077269.db2.gz WCXSODNOZVYYDX-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO CCOc1ccc(C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C(C)C)cc1 ZINC000779858580 1304615910 /nfs/dbraw/zinc/61/59/10/1304615910.db2.gz JJFSMQRWPRBROU-UHFFFAOYSA-N 1 2 332.404 3.367 20 5 EGBDLO CCOc1ccc(C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C(C)C)cc1 ZINC000779858580 1304615915 /nfs/dbraw/zinc/61/59/15/1304615915.db2.gz JJFSMQRWPRBROU-UHFFFAOYSA-N 1 2 332.404 3.367 20 5 EGBDLO COc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000788469480 1305949525 /nfs/dbraw/zinc/94/95/25/1305949525.db2.gz FLDGAFCREYXKHK-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000794621260 1309556879 /nfs/dbraw/zinc/55/68/79/1309556879.db2.gz WLHMMOHYBBBCSO-LBPRGKRZSA-N 1 2 345.380 3.359 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000794621260 1309556884 /nfs/dbraw/zinc/55/68/84/1309556884.db2.gz WLHMMOHYBBBCSO-LBPRGKRZSA-N 1 2 345.380 3.359 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC(C2CCCC2)CC1 ZINC000794637900 1309561634 /nfs/dbraw/zinc/56/16/34/1309561634.db2.gz ZVLWTHSYEYPLFK-UHFFFAOYSA-N 1 2 345.399 3.362 20 5 EGBDLO CC[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCCO1 ZINC000799161917 1310495319 /nfs/dbraw/zinc/49/53/19/1310495319.db2.gz GWMIXEDINQXXSO-GFCCVEGCSA-N 1 2 337.401 3.330 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCCO1 ZINC000799161917 1310495325 /nfs/dbraw/zinc/49/53/25/1310495325.db2.gz GWMIXEDINQXXSO-GFCCVEGCSA-N 1 2 337.401 3.330 20 5 EGBDLO Cc1nn(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000799576555 1310580569 /nfs/dbraw/zinc/58/05/69/1310580569.db2.gz GMXPZIWBFYYHJO-VKJFTORMSA-N 1 2 348.447 3.035 20 5 EGBDLO Cc1nn(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000799576555 1310580572 /nfs/dbraw/zinc/58/05/72/1310580572.db2.gz GMXPZIWBFYYHJO-VKJFTORMSA-N 1 2 348.447 3.035 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCCc1cn2cccc(C)c2[nH+]1 ZINC000807988120 1317607748 /nfs/dbraw/zinc/60/77/48/1317607748.db2.gz LCPJLDRKXOFLSU-UHFFFAOYSA-N 1 2 338.367 3.408 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000811483985 1318183252 /nfs/dbraw/zinc/18/32/52/1318183252.db2.gz SYCCHPLHAKSUSE-LLVKDONJSA-N 1 2 341.198 3.272 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000916044080 1319594891 /nfs/dbraw/zinc/59/48/91/1319594891.db2.gz DJXUUQHSCRGWIZ-UHFFFAOYSA-N 1 2 340.430 3.207 20 5 EGBDLO CCOC1CC([N@H+](C)Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839604825 1320944478 /nfs/dbraw/zinc/94/44/78/1320944478.db2.gz PKRIHHLQUFDBKU-UHFFFAOYSA-N 1 2 343.221 3.357 20 5 EGBDLO CCOC1CC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839604825 1320944483 /nfs/dbraw/zinc/94/44/83/1320944483.db2.gz PKRIHHLQUFDBKU-UHFFFAOYSA-N 1 2 343.221 3.357 20 5 EGBDLO CC(C)(C)C[C@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000840149179 1321039171 /nfs/dbraw/zinc/03/91/71/1321039171.db2.gz GAQLLKBCGPPSLV-SNVBAGLBSA-N 1 2 345.241 3.269 20 5 EGBDLO CC(C)(C)C[C@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000840149179 1321039175 /nfs/dbraw/zinc/03/91/75/1321039175.db2.gz GAQLLKBCGPPSLV-SNVBAGLBSA-N 1 2 345.241 3.269 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000851979452 1323125572 /nfs/dbraw/zinc/12/55/72/1323125572.db2.gz CRAFQBDAQZWUJX-UHFFFAOYSA-N 1 2 349.337 3.311 20 5 EGBDLO CC1(NC(=O)c2ccoc2)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001045366310 1346576081 /nfs/dbraw/zinc/57/60/81/1346576081.db2.gz NJTFFYJZMFZOIQ-UHFFFAOYSA-N 1 2 349.412 3.034 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001226009403 1375189681 /nfs/dbraw/zinc/18/96/81/1375189681.db2.gz MKSSIWMDRZREKN-HNNXBMFYSA-N 1 2 327.315 3.431 20 5 EGBDLO CC(C)(C)CC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001226077529 1375199462 /nfs/dbraw/zinc/19/94/62/1375199462.db2.gz XMTBJCSTBMFGDN-UHFFFAOYSA-N 1 2 339.461 3.173 20 5 EGBDLO Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001226951137 1375367974 /nfs/dbraw/zinc/36/79/74/1375367974.db2.gz TXMGNTHWXAFDJB-GOSISDBHSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC001226951137 1375367986 /nfs/dbraw/zinc/36/79/86/1375367986.db2.gz TXMGNTHWXAFDJB-GOSISDBHSA-N 1 2 342.395 3.183 20 5 EGBDLO CC(C)(C)[NH+]1CC(Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001227602327 1375451167 /nfs/dbraw/zinc/45/11/67/1375451167.db2.gz SJQZYMCKKUUDJH-UHFFFAOYSA-N 1 2 334.294 3.355 20 5 EGBDLO Cc1ccc(N2CCC[C@H](Oc3cc([N+](=O)[O-])ccc3O)C2)[nH+]c1 ZINC001229396381 1375826673 /nfs/dbraw/zinc/82/66/73/1375826673.db2.gz SNZBLDZVTFAWSC-AWEZNQCLSA-N 1 2 329.356 3.052 20 5 EGBDLO O=c1oc2cc(O[C@@H]3CCc4[nH+]ccn4C3)ccc2c2ccc(O)cc12 ZINC001229797462 1375894439 /nfs/dbraw/zinc/89/44/39/1375894439.db2.gz CBIJTWHGHSWUOA-CQSZACIVSA-N 1 2 348.358 3.242 20 5 EGBDLO O=C(Nc1cc[nH+]c2c1CCC2)c1ccnc2c1ccc1cccnc12 ZINC001155805966 1380494220 /nfs/dbraw/zinc/49/42/20/1380494220.db2.gz RVOLVZMZFYKZBL-UHFFFAOYSA-N 1 2 340.386 3.341 20 5 EGBDLO CCN(CCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001157466079 1380917316 /nfs/dbraw/zinc/91/73/16/1380917316.db2.gz HEDJBXQMYSSQCX-UHFFFAOYSA-N 1 2 337.383 3.380 20 5 EGBDLO O=[N+]([O-])c1cccc2nc(NCCc3cn4ccccc4[nH+]3)ccc21 ZINC001158145465 1381140400 /nfs/dbraw/zinc/14/04/00/1381140400.db2.gz OQHXRIAZYRPYJH-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO Cc1c(F)cccc1NC(=O)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319423759 1386115556 /nfs/dbraw/zinc/11/55/56/1386115556.db2.gz LYILVKOTZHYVPN-UHFFFAOYSA-N 1 2 343.358 3.387 20 5 EGBDLO Cc1c(F)cccc1NC(=O)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319423759 1386115557 /nfs/dbraw/zinc/11/55/57/1386115557.db2.gz LYILVKOTZHYVPN-UHFFFAOYSA-N 1 2 343.358 3.387 20 5 EGBDLO CCn1cc[nH+]c1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000051923274 214108482 /nfs/dbraw/zinc/10/84/82/214108482.db2.gz SSRHUGOQPANKGL-UHFFFAOYSA-N 1 2 325.166 3.186 20 5 EGBDLO C[NH+](C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000193434681 240163031 /nfs/dbraw/zinc/16/30/31/240163031.db2.gz UYIZAYKHNIUVOE-OAHLLOKOSA-N 1 2 336.342 3.170 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000111375415 220147978 /nfs/dbraw/zinc/14/79/78/220147978.db2.gz IIKQMCJTEDIBFO-MNOVXSKESA-N 1 2 348.428 3.292 20 5 EGBDLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000266533021 248349409 /nfs/dbraw/zinc/34/94/09/248349409.db2.gz MVLDSFGWXGVOHX-CYBMUJFWSA-N 1 2 346.456 3.239 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891316 218083152 /nfs/dbraw/zinc/08/31/52/218083152.db2.gz FYLXUOOJIBRQMN-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891316 218083155 /nfs/dbraw/zinc/08/31/55/218083155.db2.gz FYLXUOOJIBRQMN-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO Cn1cc(C[N@H+](C)Cc2nccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093582078 218233322 /nfs/dbraw/zinc/23/33/22/218233322.db2.gz GYXDAANCJVTJPI-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cn1cc(C[N@@H+](C)Cc2nccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093582078 218233324 /nfs/dbraw/zinc/23/33/24/218233324.db2.gz GYXDAANCJVTJPI-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO O=C(Nc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000008778629 211006564 /nfs/dbraw/zinc/00/65/64/211006564.db2.gz MFONKMMDOLAUTP-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000130777732 285088745 /nfs/dbraw/zinc/08/87/45/285088745.db2.gz LGRRGQBXJZGQBZ-KRWDZBQOSA-N 1 2 332.787 3.340 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000130777732 285088747 /nfs/dbraw/zinc/08/87/47/285088747.db2.gz LGRRGQBXJZGQBZ-KRWDZBQOSA-N 1 2 332.787 3.340 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347931588 141220054 /nfs/dbraw/zinc/22/00/54/141220054.db2.gz HRUPPFBNVHOKSU-GFCCVEGCSA-N 1 2 326.312 3.041 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000353452247 141299476 /nfs/dbraw/zinc/29/94/76/141299476.db2.gz ZGLPAODPUYKSIE-KRWDZBQOSA-N 1 2 340.358 3.347 20 5 EGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000356332333 141342220 /nfs/dbraw/zinc/34/22/20/141342220.db2.gz FWXCWSYPXNOMMI-CYBMUJFWSA-N 1 2 342.399 3.479 20 5 EGBDLO CC1(C)CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174933213 144054853 /nfs/dbraw/zinc/05/48/53/144054853.db2.gz ZZMJWZFKMICCCD-OAHLLOKOSA-N 1 2 328.372 3.089 20 5 EGBDLO Cc1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000175279774 144061416 /nfs/dbraw/zinc/06/14/16/144061416.db2.gz SGKFBUCOMCLKRF-ZDUSSCGKSA-N 1 2 329.360 3.385 20 5 EGBDLO Cc1cccc2[nH+]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)cn21 ZINC000351737975 144299410 /nfs/dbraw/zinc/29/94/10/144299410.db2.gz PSXHGLSFLGFXHO-UHFFFAOYSA-N 1 2 343.318 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(F)c1 ZINC000326555296 154184096 /nfs/dbraw/zinc/18/40/96/154184096.db2.gz PVPGWCSQLGGICS-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000338880985 163373199 /nfs/dbraw/zinc/37/31/99/163373199.db2.gz NJXNAKUGZHIXDW-GDBMZVCRSA-N 1 2 344.415 3.400 20 5 EGBDLO Cc1cc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc([N+](=O)[O-])c1 ZINC000338928690 163390468 /nfs/dbraw/zinc/39/04/68/163390468.db2.gz YBMOCAHJUJWQOU-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000352363108 165362977 /nfs/dbraw/zinc/36/29/77/165362977.db2.gz ZOEKSSXBTSWHNO-UHFFFAOYSA-N 1 2 345.362 3.363 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000355802386 166314418 /nfs/dbraw/zinc/31/44/18/166314418.db2.gz OJIDCNJRRGRBHZ-UHFFFAOYSA-N 1 2 329.187 3.267 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000355802386 166314421 /nfs/dbraw/zinc/31/44/21/166314421.db2.gz OJIDCNJRRGRBHZ-UHFFFAOYSA-N 1 2 329.187 3.267 20 5 EGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[nH+]1 ZINC000366355630 168109883 /nfs/dbraw/zinc/10/98/83/168109883.db2.gz NUTDJFRNLSZWFM-UHFFFAOYSA-N 1 2 337.339 3.128 20 5 EGBDLO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000177414682 265253109 /nfs/dbraw/zinc/25/31/09/265253109.db2.gz ZDUULWSIAAEJDW-SJKOYZFVSA-N 1 2 346.358 3.374 20 5 EGBDLO O=C(c1ccc2[nH+]ccn2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178676128 265335484 /nfs/dbraw/zinc/33/54/84/265335484.db2.gz YYMXCDKYLVNSLF-UHFFFAOYSA-N 1 2 336.351 3.047 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000266150722 266274393 /nfs/dbraw/zinc/27/43/93/266274393.db2.gz KHRPMMXNXMETOK-UHFFFAOYSA-N 1 2 328.372 3.211 20 5 EGBDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599504 275137795 /nfs/dbraw/zinc/13/77/95/275137795.db2.gz NZJCYVBWBNTGGW-HNNXBMFYSA-N 1 2 341.411 3.040 20 5 EGBDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599504 275137797 /nfs/dbraw/zinc/13/77/97/275137797.db2.gz NZJCYVBWBNTGGW-HNNXBMFYSA-N 1 2 341.411 3.040 20 5 EGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000049728545 275149099 /nfs/dbraw/zinc/14/90/99/275149099.db2.gz ZIWRMSSETGOYDA-LLVKDONJSA-N 1 2 346.412 3.175 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000106862558 275170146 /nfs/dbraw/zinc/17/01/46/275170146.db2.gz IDOPAJFPGYHIGL-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000106862558 275170148 /nfs/dbraw/zinc/17/01/48/275170148.db2.gz IDOPAJFPGYHIGL-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO Cn1ncc(Cl)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278881515 275283943 /nfs/dbraw/zinc/28/39/43/275283943.db2.gz ZRTUTJKUVCYBQI-UHFFFAOYSA-N 1 2 348.712 3.290 20 5 EGBDLO COc1cc[nH+]cc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000286940335 276060551 /nfs/dbraw/zinc/06/05/51/276060551.db2.gz JXHPQVNESLFPKD-UHFFFAOYSA-N 1 2 348.330 3.159 20 5 EGBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000288317775 276201050 /nfs/dbraw/zinc/20/10/50/276201050.db2.gz IVYGDXYEQLEWHH-SNVBAGLBSA-N 1 2 330.373 3.054 20 5 EGBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000057622903 279370298 /nfs/dbraw/zinc/37/02/98/279370298.db2.gz IIPHLDRYSBKTBI-KRWDZBQOSA-N 1 2 343.383 3.137 20 5 EGBDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000057622903 279370302 /nfs/dbraw/zinc/37/03/02/279370302.db2.gz IIPHLDRYSBKTBI-KRWDZBQOSA-N 1 2 343.383 3.137 20 5 EGBDLO Cc1c(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cccc1[N+](=O)[O-] ZINC000106371864 280226293 /nfs/dbraw/zinc/22/62/93/280226293.db2.gz SMEJNHNHAQBVKD-UHFFFAOYSA-N 1 2 328.416 3.318 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000366608186 281653177 /nfs/dbraw/zinc/65/31/77/281653177.db2.gz LZNHHUBHJXRRGO-MRXNPFEDSA-N 1 2 342.399 3.108 20 5 EGBDLO Cc1cc(N2C[C@H](C)OC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057828701 307347343 /nfs/dbraw/zinc/34/73/43/307347343.db2.gz MPWRUFVDEJRDSI-ZDUSSCGKSA-N 1 2 342.399 3.364 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nncn1-c1ccccc1 ZINC000152664508 307757356 /nfs/dbraw/zinc/75/73/56/307757356.db2.gz SMUSADYXPGQGSY-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO CC[C@H](C)[C@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000294754836 308253548 /nfs/dbraw/zinc/25/35/48/308253548.db2.gz INRUVVVQEQVUTC-RRQGHBQHSA-N 1 2 346.431 3.068 20 5 EGBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000294757357 308253857 /nfs/dbraw/zinc/25/38/57/308253857.db2.gz AYACFKVKIKXLTE-GFCCVEGCSA-N 1 2 334.763 3.339 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ncccc12 ZINC000301630230 308708315 /nfs/dbraw/zinc/70/83/15/308708315.db2.gz IOPPLTYRFBEDQP-CQSZACIVSA-N 1 2 336.351 3.196 20 5 EGBDLO Cc1ccc([C@H](CNc2sccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301990100 308724311 /nfs/dbraw/zinc/72/43/11/308724311.db2.gz MMQABCLTGMOVRU-INIZCTEOSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1cc(N(C)CCCn2cc[nH+]c2)c2cccc([N+](=O)[O-])c2n1 ZINC000302040397 308726484 /nfs/dbraw/zinc/72/64/84/308726484.db2.gz WEYJXQKIDSUOKI-UHFFFAOYSA-N 1 2 325.372 3.174 20 5 EGBDLO CCc1cc(NCCC(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302409648 308736860 /nfs/dbraw/zinc/73/68/60/308736860.db2.gz IEGCCPVKLGKILY-UHFFFAOYSA-N 1 2 330.388 3.187 20 5 EGBDLO CC(C)(C)OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332293079 308833135 /nfs/dbraw/zinc/83/31/35/308833135.db2.gz YINQHHVSKVPFFN-UHFFFAOYSA-N 1 2 332.404 3.251 20 5 EGBDLO CC(C)c1nnc(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1C ZINC000413246417 309023402 /nfs/dbraw/zinc/02/34/02/309023402.db2.gz ZLWQCSOEDJDNBN-UHFFFAOYSA-N 1 2 326.360 3.007 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000413313277 309026212 /nfs/dbraw/zinc/02/62/12/309026212.db2.gz KWWFPZHSCQUTKU-CQSZACIVSA-N 1 2 339.399 3.343 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000413313277 309026213 /nfs/dbraw/zinc/02/62/13/309026213.db2.gz KWWFPZHSCQUTKU-CQSZACIVSA-N 1 2 339.399 3.343 20 5 EGBDLO CC(C)(C)c1nnc(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000413421190 309031390 /nfs/dbraw/zinc/03/13/90/309031390.db2.gz WHSUHNWDXYORLN-UHFFFAOYSA-N 1 2 326.360 3.171 20 5 EGBDLO Cc1cccc(OCc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000421210029 309316358 /nfs/dbraw/zinc/31/63/58/309316358.db2.gz GNRCIPPRYJKKGX-UHFFFAOYSA-N 1 2 342.395 3.314 20 5 EGBDLO Cc1cc(CNC(=O)CSc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421574408 309330271 /nfs/dbraw/zinc/33/02/71/309330271.db2.gz GADQEDHYIDYXCN-UHFFFAOYSA-N 1 2 331.397 3.015 20 5 EGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000448720225 310014369 /nfs/dbraw/zinc/01/43/69/310014369.db2.gz OWWYKODWDMRSNF-UHFFFAOYSA-N 1 2 328.372 3.185 20 5 EGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000450026917 310099626 /nfs/dbraw/zinc/09/96/26/310099626.db2.gz XDICVKOWIGGFQW-LBPRGKRZSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@@H](C1CCC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450371556 310118483 /nfs/dbraw/zinc/11/84/83/310118483.db2.gz IKNVVVUZFXSYBO-LBPRGKRZSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000450682282 310137013 /nfs/dbraw/zinc/13/70/13/310137013.db2.gz DSJWTZDKNBRVQU-JTQLQIEISA-N 1 2 328.294 3.204 20 5 EGBDLO C[C@H]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451184604 310164741 /nfs/dbraw/zinc/16/47/41/310164741.db2.gz ANPKUKPDKQWHGX-JSGCOSHPSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(C)c1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451552654 310185831 /nfs/dbraw/zinc/18/58/31/310185831.db2.gz WYGVCPVLIRQSPS-AWEZNQCLSA-N 1 2 330.388 3.481 20 5 EGBDLO CC(C)c1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451552654 310185832 /nfs/dbraw/zinc/18/58/32/310185832.db2.gz WYGVCPVLIRQSPS-AWEZNQCLSA-N 1 2 330.388 3.481 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451802762 310197836 /nfs/dbraw/zinc/19/78/36/310197836.db2.gz TWAVBMKOWQJVFQ-SFHVURJKSA-N 1 2 330.359 3.350 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451802762 310197837 /nfs/dbraw/zinc/19/78/37/310197837.db2.gz TWAVBMKOWQJVFQ-SFHVURJKSA-N 1 2 330.359 3.350 20 5 EGBDLO Cc1ccc[nH+]c1CCc1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000453220647 310264972 /nfs/dbraw/zinc/26/49/72/310264972.db2.gz JHVSFRPUXKYIJQ-UHFFFAOYSA-N 1 2 338.367 3.366 20 5 EGBDLO CO[C@]1(C)CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000480354550 310893546 /nfs/dbraw/zinc/89/35/46/310893546.db2.gz GZQJCUPBGXDTDM-GOSISDBHSA-N 1 2 342.399 3.366 20 5 EGBDLO O=c1c2ccccc2n(Cc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000487899941 311042047 /nfs/dbraw/zinc/04/20/47/311042047.db2.gz UHZFYBCKMRIGFK-UHFFFAOYSA-N 1 2 346.346 3.144 20 5 EGBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197541 311135448 /nfs/dbraw/zinc/13/54/48/311135448.db2.gz BLVJNWLOEACINP-KBXCAEBGSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197541 311135449 /nfs/dbraw/zinc/13/54/49/311135449.db2.gz BLVJNWLOEACINP-KBXCAEBGSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000493493504 311385436 /nfs/dbraw/zinc/38/54/36/311385436.db2.gz MTNIRYGIGWENMQ-KMOZTTGJSA-N 1 2 346.774 3.280 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000506340260 312047795 /nfs/dbraw/zinc/04/77/95/312047795.db2.gz HFWRCYBCISDCFW-CYBMUJFWSA-N 1 2 346.383 3.474 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000506340260 312047796 /nfs/dbraw/zinc/04/77/96/312047796.db2.gz HFWRCYBCISDCFW-CYBMUJFWSA-N 1 2 346.383 3.474 20 5 EGBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506630376 312052214 /nfs/dbraw/zinc/05/22/14/312052214.db2.gz KKSHGWGFZFDNGC-HNNXBMFYSA-N 1 2 346.408 3.461 20 5 EGBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506630376 312052216 /nfs/dbraw/zinc/05/22/16/312052216.db2.gz KKSHGWGFZFDNGC-HNNXBMFYSA-N 1 2 346.408 3.461 20 5 EGBDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511108849 312154996 /nfs/dbraw/zinc/15/49/96/312154996.db2.gz NGBKGSSBTTXEJC-GOSISDBHSA-N 1 2 342.395 3.374 20 5 EGBDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511108849 312154998 /nfs/dbraw/zinc/15/49/98/312154998.db2.gz NGBKGSSBTTXEJC-GOSISDBHSA-N 1 2 342.395 3.374 20 5 EGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000536237932 314101940 /nfs/dbraw/zinc/10/19/40/314101940.db2.gz HYZMOOVCUCUVMZ-UHFFFAOYSA-N 1 2 339.395 3.327 20 5 EGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000536237932 314101944 /nfs/dbraw/zinc/10/19/44/314101944.db2.gz HYZMOOVCUCUVMZ-UHFFFAOYSA-N 1 2 339.395 3.327 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1=Cc3ccccc3OC1)CCO2 ZINC000555105564 315366485 /nfs/dbraw/zinc/36/64/85/315366485.db2.gz CTMKSDPEOUMTFT-UHFFFAOYSA-N 1 2 338.363 3.265 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1=Cc3ccccc3OC1)CCO2 ZINC000555105564 315366486 /nfs/dbraw/zinc/36/64/86/315366486.db2.gz CTMKSDPEOUMTFT-UHFFFAOYSA-N 1 2 338.363 3.265 20 5 EGBDLO C[C@@H](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC000572044355 317282926 /nfs/dbraw/zinc/28/29/26/317282926.db2.gz FPVUOANEZFCWMX-HOCLYGCPSA-N 1 2 342.399 3.149 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757488 456062264 /nfs/dbraw/zinc/06/22/64/456062264.db2.gz BQVMKIBBOJAABY-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757488 456062268 /nfs/dbraw/zinc/06/22/68/456062268.db2.gz BQVMKIBBOJAABY-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000007017767 323211166 /nfs/dbraw/zinc/21/11/66/323211166.db2.gz RFLSDOUKFBDYNM-UHFFFAOYSA-N 1 2 333.775 3.319 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000007017767 323211168 /nfs/dbraw/zinc/21/11/68/323211168.db2.gz RFLSDOUKFBDYNM-UHFFFAOYSA-N 1 2 333.775 3.319 20 5 EGBDLO Cc1c([C@H](C)[NH2+]Cc2n[nH]cc2Br)cccc1[N+](=O)[O-] ZINC000580269757 325224684 /nfs/dbraw/zinc/22/46/84/325224684.db2.gz PHCSCIVMUHAHMK-VIFPVBQESA-N 1 2 339.193 3.240 20 5 EGBDLO Cc1c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000264713920 455268458 /nfs/dbraw/zinc/26/84/58/455268458.db2.gz JVWRYBSQGMBBJE-GFCCVEGCSA-N 1 2 329.360 3.038 20 5 EGBDLO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009998084 453270310 /nfs/dbraw/zinc/27/03/10/453270310.db2.gz USEZZZMHNZEBIO-QWRGUYRKSA-N 1 2 325.796 3.450 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000016446156 453607396 /nfs/dbraw/zinc/60/73/96/453607396.db2.gz OMVAIQJAAKJIPP-MNOVXSKESA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000016446156 453607397 /nfs/dbraw/zinc/60/73/97/453607397.db2.gz OMVAIQJAAKJIPP-MNOVXSKESA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348674 453797498 /nfs/dbraw/zinc/79/74/98/453797498.db2.gz DHJBYBZQHROIRS-GFCCVEGCSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348674 453797500 /nfs/dbraw/zinc/79/75/00/453797500.db2.gz DHJBYBZQHROIRS-GFCCVEGCSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346947 453797756 /nfs/dbraw/zinc/79/77/56/453797756.db2.gz DMDSPXUODYLQMV-CQSZACIVSA-N 1 2 339.395 3.004 20 5 EGBDLO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346947 453797757 /nfs/dbraw/zinc/79/77/57/453797757.db2.gz DMDSPXUODYLQMV-CQSZACIVSA-N 1 2 339.395 3.004 20 5 EGBDLO Cc1nc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000026349363 453797778 /nfs/dbraw/zinc/79/77/78/453797778.db2.gz YERXDKOZFIVJAG-NSHDSACASA-N 1 2 348.428 3.127 20 5 EGBDLO Cc1nc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000026349363 453797779 /nfs/dbraw/zinc/79/77/79/453797779.db2.gz YERXDKOZFIVJAG-NSHDSACASA-N 1 2 348.428 3.127 20 5 EGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccccc1[N+](=O)[O-] ZINC000027128662 453811561 /nfs/dbraw/zinc/81/15/61/453811561.db2.gz CAYRKZDIQVOEAF-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccccc1[N+](=O)[O-] ZINC000027128662 453811563 /nfs/dbraw/zinc/81/15/63/453811563.db2.gz CAYRKZDIQVOEAF-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO Cc1cc(NC[C@](C)(O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000075050904 453855357 /nfs/dbraw/zinc/85/53/57/453855357.db2.gz MSMTWNVSJMNYJR-KRWDZBQOSA-N 1 2 330.388 3.179 20 5 EGBDLO CCc1cc(NC[C@H](C)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077228650 454078285 /nfs/dbraw/zinc/07/82/85/454078285.db2.gz UXNYFQDDYMBTMU-OLZOCXBDSA-N 1 2 344.415 3.433 20 5 EGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000057283041 454118020 /nfs/dbraw/zinc/11/80/20/454118020.db2.gz XVFDMJVHYXRJAN-CYBMUJFWSA-N 1 2 336.351 3.272 20 5 EGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000057839716 454151142 /nfs/dbraw/zinc/15/11/42/454151142.db2.gz XQRQNLIAGLLFRY-UHFFFAOYSA-N 1 2 332.257 3.129 20 5 EGBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182025191 455419049 /nfs/dbraw/zinc/41/90/49/455419049.db2.gz IGZYXVXVZNNICC-UHFFFAOYSA-N 1 2 347.802 3.240 20 5 EGBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182025191 455419056 /nfs/dbraw/zinc/41/90/56/455419056.db2.gz IGZYXVXVZNNICC-UHFFFAOYSA-N 1 2 347.802 3.240 20 5 EGBDLO COC(=O)c1occc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130966780 454229333 /nfs/dbraw/zinc/22/93/33/454229333.db2.gz OPFFZDLOBJXXEI-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1occc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130966780 454229337 /nfs/dbraw/zinc/22/93/37/454229337.db2.gz OPFFZDLOBJXXEI-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000072862095 454353670 /nfs/dbraw/zinc/35/36/70/454353670.db2.gz JQCUHQNNNJGCBF-NSHDSACASA-N 1 2 343.836 3.014 20 5 EGBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000072862095 454353675 /nfs/dbraw/zinc/35/36/75/454353675.db2.gz JQCUHQNNNJGCBF-NSHDSACASA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000121373373 454427592 /nfs/dbraw/zinc/42/75/92/454427592.db2.gz WDYIGQVXBYOGOB-SFHVURJKSA-N 1 2 330.359 3.482 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000121373373 454427600 /nfs/dbraw/zinc/42/76/00/454427600.db2.gz WDYIGQVXBYOGOB-SFHVURJKSA-N 1 2 330.359 3.482 20 5 EGBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)nc(C(C)C)[nH+]1 ZINC000064029329 454463858 /nfs/dbraw/zinc/46/38/58/454463858.db2.gz KCCYWXCCTMCUMC-UHFFFAOYSA-N 1 2 347.444 3.205 20 5 EGBDLO Cc1cc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc[nH+]1 ZINC000079895363 454495856 /nfs/dbraw/zinc/49/58/56/454495856.db2.gz YCVKJSHHTLMNNI-UHFFFAOYSA-N 1 2 336.145 3.313 20 5 EGBDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091987219 454500195 /nfs/dbraw/zinc/50/01/95/454500195.db2.gz SKVKKLVVTZGTJE-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091987219 454500204 /nfs/dbraw/zinc/50/02/04/454500204.db2.gz SKVKKLVVTZGTJE-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO CC[N@H+](Cc1ccoc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000102407693 454503090 /nfs/dbraw/zinc/50/30/90/454503090.db2.gz OQCXSVGFRYGCKS-UHFFFAOYSA-N 1 2 328.328 3.260 20 5 EGBDLO CC[N@@H+](Cc1ccoc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000102407693 454503096 /nfs/dbraw/zinc/50/30/96/454503096.db2.gz OQCXSVGFRYGCKS-UHFFFAOYSA-N 1 2 328.328 3.260 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000049980548 454566653 /nfs/dbraw/zinc/56/66/53/454566653.db2.gz MCTVCFCMAVERIN-KRWDZBQOSA-N 1 2 345.374 3.219 20 5 EGBDLO O=C(Nc1c(F)cccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066280404 454677038 /nfs/dbraw/zinc/67/70/38/454677038.db2.gz WMYYWWZPEFUAKG-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000106862562 454724343 /nfs/dbraw/zinc/72/43/43/454724343.db2.gz ZTRGXVGLBNLBDT-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000106862562 454724346 /nfs/dbraw/zinc/72/43/46/454724346.db2.gz ZTRGXVGLBNLBDT-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000176386921 454737366 /nfs/dbraw/zinc/73/73/66/454737366.db2.gz GRTGSXHERSTQIG-ZDUSSCGKSA-N 1 2 344.415 3.155 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000153837979 454838883 /nfs/dbraw/zinc/83/88/83/454838883.db2.gz PQHDIUCWNZTUGY-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000153837979 454838885 /nfs/dbraw/zinc/83/88/85/454838885.db2.gz PQHDIUCWNZTUGY-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167894272 454923665 /nfs/dbraw/zinc/92/36/65/454923665.db2.gz ZHKYCCYRDZXAQI-WFASDCNBSA-N 1 2 329.404 3.495 20 5 EGBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178494355 454957068 /nfs/dbraw/zinc/95/70/68/454957068.db2.gz IODFLFZJPMQQDW-HNNXBMFYSA-N 1 2 334.807 3.491 20 5 EGBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178494355 454957071 /nfs/dbraw/zinc/95/70/71/454957071.db2.gz IODFLFZJPMQQDW-HNNXBMFYSA-N 1 2 334.807 3.491 20 5 EGBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127804121 454999847 /nfs/dbraw/zinc/99/98/47/454999847.db2.gz KTWRDMRAELORIC-LBPRGKRZSA-N 1 2 329.356 3.049 20 5 EGBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127804121 454999851 /nfs/dbraw/zinc/99/98/51/454999851.db2.gz KTWRDMRAELORIC-LBPRGKRZSA-N 1 2 329.356 3.049 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000128032049 455019643 /nfs/dbraw/zinc/01/96/43/455019643.db2.gz DPXZTBJDAODDEV-GFCCVEGCSA-N 1 2 329.356 3.049 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000128032049 455019646 /nfs/dbraw/zinc/01/96/46/455019646.db2.gz DPXZTBJDAODDEV-GFCCVEGCSA-N 1 2 329.356 3.049 20 5 EGBDLO CN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCCC1 ZINC000129997376 455136944 /nfs/dbraw/zinc/13/69/44/455136944.db2.gz TUOOSOAAYSWJCW-UHFFFAOYSA-N 1 2 345.443 3.350 20 5 EGBDLO CN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCCC1 ZINC000129997376 455136946 /nfs/dbraw/zinc/13/69/46/455136946.db2.gz TUOOSOAAYSWJCW-UHFFFAOYSA-N 1 2 345.443 3.350 20 5 EGBDLO CCc1cc(NC[C@@H](O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000156663440 455142349 /nfs/dbraw/zinc/14/23/49/455142349.db2.gz QFGVUSZSHYWLJH-OAHLLOKOSA-N 1 2 330.388 3.043 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000182940529 455195515 /nfs/dbraw/zinc/19/55/15/455195515.db2.gz NAQRYDKLIWDXSM-MRXNPFEDSA-N 1 2 340.427 3.177 20 5 EGBDLO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184404856 455378145 /nfs/dbraw/zinc/37/81/45/455378145.db2.gz ABQMOPSXIHBGOU-ZDUSSCGKSA-N 1 2 338.335 3.121 20 5 EGBDLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265790711 455382035 /nfs/dbraw/zinc/38/20/35/455382035.db2.gz LRKCYQNCCWSIKJ-CYBMUJFWSA-N 1 2 342.399 3.002 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000245843126 455383787 /nfs/dbraw/zinc/38/37/87/455383787.db2.gz IAQZPQBRQAPVQX-WBMJQRKESA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000245843126 455383788 /nfs/dbraw/zinc/38/37/88/455383788.db2.gz IAQZPQBRQAPVQX-WBMJQRKESA-N 1 2 331.372 3.249 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000181829972 455387577 /nfs/dbraw/zinc/38/75/77/455387577.db2.gz ODZOSIRKSIIVPT-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000175258849 455432052 /nfs/dbraw/zinc/43/20/52/455432052.db2.gz GIPYQFGPDHDINW-NEPJUHHUSA-N 1 2 348.428 3.346 20 5 EGBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)c1 ZINC000292202071 455594762 /nfs/dbraw/zinc/59/47/62/455594762.db2.gz PPUHMDBADIIYOI-INIZCTEOSA-N 1 2 329.404 3.167 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000284148319 455643052 /nfs/dbraw/zinc/64/30/52/455643052.db2.gz PIDVAACRPXOMRS-UHFFFAOYSA-N 1 2 328.328 3.063 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000284148319 455643056 /nfs/dbraw/zinc/64/30/56/455643056.db2.gz PIDVAACRPXOMRS-UHFFFAOYSA-N 1 2 328.328 3.063 20 5 EGBDLO Cc1nc(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268506998 455702390 /nfs/dbraw/zinc/70/23/90/455702390.db2.gz REBNKSVRRHMENH-RYUDHWBXSA-N 1 2 343.387 3.050 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC([C@H]3CCCO3)CC2)c(F)c1 ZINC000285280963 455817063 /nfs/dbraw/zinc/81/70/63/455817063.db2.gz KLBHRRNUYWUHEW-MRXNPFEDSA-N 1 2 326.343 3.264 20 5 EGBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000270012001 455856417 /nfs/dbraw/zinc/85/64/17/455856417.db2.gz BDJXPSSGMKCFTM-OAHLLOKOSA-N 1 2 337.383 3.317 20 5 EGBDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332434576 456077123 /nfs/dbraw/zinc/07/71/23/456077123.db2.gz AHTLSNPJIGBCFU-GLJUWKHASA-N 1 2 345.443 3.036 20 5 EGBDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332434576 456077126 /nfs/dbraw/zinc/07/71/26/456077126.db2.gz AHTLSNPJIGBCFU-GLJUWKHASA-N 1 2 345.443 3.036 20 5 EGBDLO Cc1nc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000301669965 456180109 /nfs/dbraw/zinc/18/01/09/456180109.db2.gz YJSYOEKGIYOTHO-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340193390 456305112 /nfs/dbraw/zinc/30/51/12/456305112.db2.gz WBQIQDADQVANDN-OLZOCXBDSA-N 1 2 336.285 3.012 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340193390 456305120 /nfs/dbraw/zinc/30/51/20/456305120.db2.gz WBQIQDADQVANDN-OLZOCXBDSA-N 1 2 336.285 3.012 20 5 EGBDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000276262811 456427953 /nfs/dbraw/zinc/42/79/53/456427953.db2.gz BKSCFVGEHDQDQN-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000276262811 456427957 /nfs/dbraw/zinc/42/79/57/456427957.db2.gz BKSCFVGEHDQDQN-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO CC[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000347962471 456431942 /nfs/dbraw/zinc/43/19/42/456431942.db2.gz NYBMTYIQPIWPCJ-GWCFXTLKSA-N 1 2 334.401 3.066 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000343246339 456479536 /nfs/dbraw/zinc/47/95/36/456479536.db2.gz DYFRMQRCTJKCSO-ZDUSSCGKSA-N 1 2 338.314 3.493 20 5 EGBDLO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000343302036 456516491 /nfs/dbraw/zinc/51/64/91/456516491.db2.gz SJPWPMAXHYYBDA-SFHVURJKSA-N 1 2 339.395 3.222 20 5 EGBDLO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000343302036 456516493 /nfs/dbraw/zinc/51/64/93/456516493.db2.gz SJPWPMAXHYYBDA-SFHVURJKSA-N 1 2 339.395 3.222 20 5 EGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000282692134 456593390 /nfs/dbraw/zinc/59/33/90/456593390.db2.gz KHYROBPAGBTMLV-LBPRGKRZSA-N 1 2 347.419 3.191 20 5 EGBDLO Cc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000283159225 456724224 /nfs/dbraw/zinc/72/42/24/456724224.db2.gz OYEDTOCDRFYPBS-LLVKDONJSA-N 1 2 348.428 3.359 20 5 EGBDLO Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301120597 456802069 /nfs/dbraw/zinc/80/20/69/456802069.db2.gz YSNPCZPTZHKWNU-MRXNPFEDSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1ccoc1C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000292143218 456867881 /nfs/dbraw/zinc/86/78/81/456867881.db2.gz JMWFYOIXEHFLHP-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO Cc1ccoc1C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000292143218 456867886 /nfs/dbraw/zinc/86/78/86/456867886.db2.gz JMWFYOIXEHFLHP-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCc1cc[nH+]cc1C ZINC000339057667 456919524 /nfs/dbraw/zinc/91/95/24/456919524.db2.gz VZZKFMVXRYLHCU-UHFFFAOYSA-N 1 2 347.346 3.269 20 5 EGBDLO CCn1nccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339129852 456953287 /nfs/dbraw/zinc/95/32/87/456953287.db2.gz FKUUUMXRIZVFDR-UHFFFAOYSA-N 1 2 342.321 3.462 20 5 EGBDLO CCn1nccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339129852 456953291 /nfs/dbraw/zinc/95/32/91/456953291.db2.gz FKUUUMXRIZVFDR-UHFFFAOYSA-N 1 2 342.321 3.462 20 5 EGBDLO COCc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000339199969 456988347 /nfs/dbraw/zinc/98/83/47/456988347.db2.gz DVXGCKMTMUEYRT-UHFFFAOYSA-N 1 2 328.368 3.136 20 5 EGBDLO COCc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000339199969 456988350 /nfs/dbraw/zinc/98/83/50/456988350.db2.gz DVXGCKMTMUEYRT-UHFFFAOYSA-N 1 2 328.368 3.136 20 5 EGBDLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349576253 456990841 /nfs/dbraw/zinc/99/08/41/456990841.db2.gz AAKCNUQTBDIFOW-UHFFFAOYSA-N 1 2 330.340 3.051 20 5 EGBDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349576253 456990847 /nfs/dbraw/zinc/99/08/47/456990847.db2.gz AAKCNUQTBDIFOW-UHFFFAOYSA-N 1 2 330.340 3.051 20 5 EGBDLO COc1cc(NCCCCNc2cccc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000342244468 457188113 /nfs/dbraw/zinc/18/81/13/457188113.db2.gz FWYJOJMVEWURQC-UHFFFAOYSA-N 1 2 334.351 3.442 20 5 EGBDLO Cc1ccn2cc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000342271048 457201833 /nfs/dbraw/zinc/20/18/33/457201833.db2.gz JEHJTDDJYOUQHN-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354703262 457313169 /nfs/dbraw/zinc/31/31/69/457313169.db2.gz JVMKEAUZFREEIS-ROUUACIJSA-N 1 2 332.400 3.137 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354703262 457313175 /nfs/dbraw/zinc/31/31/75/457313175.db2.gz JVMKEAUZFREEIS-ROUUACIJSA-N 1 2 332.400 3.137 20 5 EGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357119256 457333925 /nfs/dbraw/zinc/33/39/25/457333925.db2.gz NFWLZPIHUKXBAT-RISCZKNCSA-N 1 2 346.412 3.162 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nc(C4CC4)cs3)CC2)c1 ZINC000342764258 457509783 /nfs/dbraw/zinc/50/97/83/457509783.db2.gz GWHSXFSMBLGPQP-UHFFFAOYSA-N 1 2 344.440 3.251 20 5 EGBDLO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472827 457568424 /nfs/dbraw/zinc/56/84/24/457568424.db2.gz HTFHSOXKXVCLBA-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO COC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472827 457568427 /nfs/dbraw/zinc/56/84/27/457568427.db2.gz HTFHSOXKXVCLBA-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cn2c1 ZINC000361105631 457583727 /nfs/dbraw/zinc/58/37/27/457583727.db2.gz VVXHVBUKMRSJDJ-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361492146 457752003 /nfs/dbraw/zinc/75/20/03/457752003.db2.gz DTIOWTHAINFHTN-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361492146 457752008 /nfs/dbraw/zinc/75/20/08/457752008.db2.gz DTIOWTHAINFHTN-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1CCC(C)(C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000411077433 457793236 /nfs/dbraw/zinc/79/32/36/457793236.db2.gz UDWAUIQFDCRZEG-LBPRGKRZSA-N 1 2 328.372 3.184 20 5 EGBDLO CC(=O)c1ccc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])c1 ZINC000371257156 457840795 /nfs/dbraw/zinc/84/07/95/457840795.db2.gz WOBVPWNFIGTGDK-AWEZNQCLSA-N 1 2 328.372 3.292 20 5 EGBDLO CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000361842966 457902008 /nfs/dbraw/zinc/90/20/08/457902008.db2.gz KZJAAYRJHAZSMT-OLZOCXBDSA-N 1 2 330.388 3.335 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444713641 457953157 /nfs/dbraw/zinc/95/31/57/457953157.db2.gz HBQLSRWBYUMFTK-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444713641 457953162 /nfs/dbraw/zinc/95/31/62/457953162.db2.gz HBQLSRWBYUMFTK-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739615 458222025 /nfs/dbraw/zinc/22/20/25/458222025.db2.gz WNBRMRRFBRKOMA-OAHLLOKOSA-N 1 2 347.459 3.284 20 5 EGBDLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739615 458222029 /nfs/dbraw/zinc/22/20/29/458222029.db2.gz WNBRMRRFBRKOMA-OAHLLOKOSA-N 1 2 347.459 3.284 20 5 EGBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000376550782 458334329 /nfs/dbraw/zinc/33/43/29/458334329.db2.gz GHWVNECIMPSEBJ-BLLLJJGKSA-N 1 2 342.355 3.481 20 5 EGBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000376550782 458334334 /nfs/dbraw/zinc/33/43/34/458334334.db2.gz GHWVNECIMPSEBJ-BLLLJJGKSA-N 1 2 342.355 3.481 20 5 EGBDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459493267 458391230 /nfs/dbraw/zinc/39/12/30/458391230.db2.gz HAFZOASDYIOSME-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437830617 458499710 /nfs/dbraw/zinc/49/97/10/458499710.db2.gz WQPGARWMTVDMFK-MRXNPFEDSA-N 1 2 339.395 3.159 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437830617 458499715 /nfs/dbraw/zinc/49/97/15/458499715.db2.gz WQPGARWMTVDMFK-MRXNPFEDSA-N 1 2 339.395 3.159 20 5 EGBDLO CCC(=O)c1ccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000373552439 458530174 /nfs/dbraw/zinc/53/01/74/458530174.db2.gz RFNJJMSAXPFRJV-GUYCJALGSA-N 1 2 342.399 3.472 20 5 EGBDLO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C(F)(F)C2)cccc1[N+](=O)[O-] ZINC000494243877 458646221 /nfs/dbraw/zinc/64/62/21/458646221.db2.gz DOLZPGPYKNPXFG-NSHDSACASA-N 1 2 341.358 3.209 20 5 EGBDLO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)C(F)(F)C2)cccc1[N+](=O)[O-] ZINC000494243877 458646224 /nfs/dbraw/zinc/64/62/24/458646224.db2.gz DOLZPGPYKNPXFG-NSHDSACASA-N 1 2 341.358 3.209 20 5 EGBDLO Cc1cc(C)c(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000456862121 458805255 /nfs/dbraw/zinc/80/52/55/458805255.db2.gz PJSLNNIAIJTIQX-CYBMUJFWSA-N 1 2 345.424 3.404 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475071 458944262 /nfs/dbraw/zinc/94/42/62/458944262.db2.gz JRZFGDUDAPLHFL-LSDHHAIUSA-N 1 2 341.415 3.422 20 5 EGBDLO C[C@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000519803254 459007238 /nfs/dbraw/zinc/00/72/38/459007238.db2.gz PXQGVOKFPUQURG-SWLSCSKDSA-N 1 2 328.372 3.175 20 5 EGBDLO COc1ccc(-c2ccc(C[NH2+]Cc3cc(C)on3)o2)c([N+](=O)[O-])c1 ZINC000520961461 459106859 /nfs/dbraw/zinc/10/68/59/459106859.db2.gz TVBLWPUUPNZWJC-UHFFFAOYSA-N 1 2 343.339 3.450 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000479551740 459147197 /nfs/dbraw/zinc/14/71/97/459147197.db2.gz WJHVRAZTEWUXCE-HNNXBMFYSA-N 1 2 343.387 3.218 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533026003 459178139 /nfs/dbraw/zinc/17/81/39/459178139.db2.gz XJEDVMJECHXARU-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533026003 459178141 /nfs/dbraw/zinc/17/81/41/459178141.db2.gz XJEDVMJECHXARU-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO COc1cccc2c1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000590759813 459208266 /nfs/dbraw/zinc/20/82/66/459208266.db2.gz QGBSHYDPNMCMSM-UHFFFAOYSA-N 1 2 339.351 3.303 20 5 EGBDLO COc1cccc2c1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000590759813 459208273 /nfs/dbraw/zinc/20/82/73/459208273.db2.gz QGBSHYDPNMCMSM-UHFFFAOYSA-N 1 2 339.351 3.303 20 5 EGBDLO Cc1noc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595324464 459276854 /nfs/dbraw/zinc/27/68/54/459276854.db2.gz ABIWKLRGLXDFCP-DOMZBBRYSA-N 1 2 331.372 3.162 20 5 EGBDLO Cc1noc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595324464 459276857 /nfs/dbraw/zinc/27/68/57/459276857.db2.gz ABIWKLRGLXDFCP-DOMZBBRYSA-N 1 2 331.372 3.162 20 5 EGBDLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C2 ZINC000534340410 459317560 /nfs/dbraw/zinc/31/75/60/459317560.db2.gz CDDSYTMZIQYZRP-UHFFFAOYSA-N 1 2 326.400 3.375 20 5 EGBDLO Cc1ncc2c(n1)CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C2 ZINC000534340410 459317564 /nfs/dbraw/zinc/31/75/64/459317564.db2.gz CDDSYTMZIQYZRP-UHFFFAOYSA-N 1 2 326.400 3.375 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC([C@@H]4CCOC4)CC3)c2c1 ZINC000591154993 459323870 /nfs/dbraw/zinc/32/38/70/459323870.db2.gz NXEFFLLHXKWZFK-OAHLLOKOSA-N 1 2 327.384 3.396 20 5 EGBDLO COc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c(C)c1OC ZINC000595498470 459324322 /nfs/dbraw/zinc/32/43/22/459324322.db2.gz TYXVRHHIEIMIMC-JTQLQIEISA-N 1 2 335.360 3.068 20 5 EGBDLO C[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000562397258 459553671 /nfs/dbraw/zinc/55/36/71/459553671.db2.gz OELCUHSOKZKDLR-CQSZACIVSA-N 1 2 342.399 3.102 20 5 EGBDLO CC(=O)c1cc(NCc2ccc[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000596355587 459606628 /nfs/dbraw/zinc/60/66/28/459606628.db2.gz FXZHXMDGXRYXGY-UHFFFAOYSA-N 1 2 340.383 3.405 20 5 EGBDLO CC(=O)c1ccc(NCc2ccc[nH+]c2N2CCCC2)c([N+](=O)[O-])c1 ZINC000596358535 459607465 /nfs/dbraw/zinc/60/74/65/459607465.db2.gz XDVURAYHTPSHQZ-UHFFFAOYSA-N 1 2 340.383 3.405 20 5 EGBDLO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000499254807 459628846 /nfs/dbraw/zinc/62/88/46/459628846.db2.gz KEYOZOMDJZWXID-UHFFFAOYSA-N 1 2 338.404 3.026 20 5 EGBDLO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000499254807 459628849 /nfs/dbraw/zinc/62/88/49/459628849.db2.gz KEYOZOMDJZWXID-UHFFFAOYSA-N 1 2 338.404 3.026 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000609323452 459944618 /nfs/dbraw/zinc/94/46/18/459944618.db2.gz MRLKEITXELLZQD-UHFFFAOYSA-N 1 2 345.424 3.352 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000609323452 459944623 /nfs/dbraw/zinc/94/46/23/459944623.db2.gz MRLKEITXELLZQD-UHFFFAOYSA-N 1 2 345.424 3.352 20 5 EGBDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602693401 460068786 /nfs/dbraw/zinc/06/87/86/460068786.db2.gz LZRYQEUSQMMEKO-BDAKNGLRSA-N 1 2 349.250 3.012 20 5 EGBDLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602693401 460068790 /nfs/dbraw/zinc/06/87/90/460068790.db2.gz LZRYQEUSQMMEKO-BDAKNGLRSA-N 1 2 349.250 3.012 20 5 EGBDLO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ncc[nH]2)cc1[N+](=O)[O-] ZINC000610150954 460072751 /nfs/dbraw/zinc/07/27/51/460072751.db2.gz UBCKTIJUHHNCQY-UHFFFAOYSA-N 1 2 337.383 3.376 20 5 EGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000576605385 460177915 /nfs/dbraw/zinc/17/79/15/460177915.db2.gz OZQZGHLWQUJNHK-NSHDSACASA-N 1 2 336.392 3.074 20 5 EGBDLO CSC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000602920990 460186132 /nfs/dbraw/zinc/18/61/32/460186132.db2.gz SVLLOVJGJQJOFN-UHFFFAOYSA-N 1 2 343.836 3.014 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511638 460264953 /nfs/dbraw/zinc/26/49/53/460264953.db2.gz BOQGBJTXQAJAHA-RYUDHWBXSA-N 1 2 341.358 3.065 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000615239215 460297694 /nfs/dbraw/zinc/29/76/94/460297694.db2.gz KSEHHUKEBRGVFA-HNNXBMFYSA-N 1 2 342.399 3.392 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000611268298 460323480 /nfs/dbraw/zinc/32/34/80/460323480.db2.gz OOQMFGJYEIANKH-GOSISDBHSA-N 1 2 328.368 3.264 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000611268298 460323483 /nfs/dbraw/zinc/32/34/83/460323483.db2.gz OOQMFGJYEIANKH-GOSISDBHSA-N 1 2 328.368 3.264 20 5 EGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000604539476 460443486 /nfs/dbraw/zinc/44/34/86/460443486.db2.gz QNTLXJJNLLUSBX-UHFFFAOYSA-N 1 2 339.355 3.329 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000163300929 518203156 /nfs/dbraw/zinc/20/31/56/518203156.db2.gz BZORYPOEBLBAQK-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO Cc1ccc(F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015077992 546517673 /nfs/dbraw/zinc/51/76/73/546517673.db2.gz SJDKGLAIUPLBCT-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO Cc1cccn2cc(CC(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)[nH+]c12 ZINC000726751508 574569888 /nfs/dbraw/zinc/56/98/88/574569888.db2.gz QKCFYNLODURPSF-UHFFFAOYSA-N 1 2 346.293 3.010 20 5 EGBDLO Cc1cccn2cc(CC(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000728167128 574724785 /nfs/dbraw/zinc/72/47/85/574724785.db2.gz LYBKNJXJDAJZPS-CYBMUJFWSA-N 1 2 339.351 3.398 20 5 EGBDLO O=C(C[N@@H+]1CC[C@H](c2ccco2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732206452 575245057 /nfs/dbraw/zinc/24/50/57/575245057.db2.gz ZSZKJQDFFLWESN-NSHDSACASA-N 1 2 349.774 3.269 20 5 EGBDLO O=C(C[N@H+]1CC[C@H](c2ccco2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732206452 575245060 /nfs/dbraw/zinc/24/50/60/575245060.db2.gz ZSZKJQDFFLWESN-NSHDSACASA-N 1 2 349.774 3.269 20 5 EGBDLO CC1(C)C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCCO1 ZINC000735297170 575631900 /nfs/dbraw/zinc/63/19/00/575631900.db2.gz DPHGPCQHQVLFHK-UHFFFAOYSA-N 1 2 337.401 3.330 20 5 EGBDLO CC1(C)C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCCO1 ZINC000735297170 575631904 /nfs/dbraw/zinc/63/19/04/575631904.db2.gz DPHGPCQHQVLFHK-UHFFFAOYSA-N 1 2 337.401 3.330 20 5 EGBDLO Cc1nn(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000738244727 576305233 /nfs/dbraw/zinc/30/52/33/576305233.db2.gz IFPNWUXRZPQGCE-HNNXBMFYSA-N 1 2 332.429 3.156 20 5 EGBDLO Cc1nn(C[N@H+]2CCS[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000738244727 576305235 /nfs/dbraw/zinc/30/52/35/576305235.db2.gz IFPNWUXRZPQGCE-HNNXBMFYSA-N 1 2 332.429 3.156 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000027537946 1291289421 /nfs/dbraw/zinc/28/94/21/1291289421.db2.gz SYIVZSOGDGTIAP-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000027537946 1291289428 /nfs/dbraw/zinc/28/94/28/1291289428.db2.gz SYIVZSOGDGTIAP-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000833696064 1293065019 /nfs/dbraw/zinc/06/50/19/1293065019.db2.gz MYGMUTLPUGHLAT-UHFFFAOYSA-N 1 2 348.428 3.454 20 5 EGBDLO O=C(OCCCC(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835256436 1293243962 /nfs/dbraw/zinc/24/39/62/1293243962.db2.gz SDZCEYCOIGUEBV-UHFFFAOYSA-N 1 2 343.261 3.280 20 5 EGBDLO CC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000835648876 1293338095 /nfs/dbraw/zinc/33/80/95/1293338095.db2.gz LTYOWDRQTQMZBS-LBPRGKRZSA-N 1 2 343.261 3.278 20 5 EGBDLO Cc1ccc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000122759930 1293424066 /nfs/dbraw/zinc/42/40/66/1293424066.db2.gz KBBICZIXXRQRAS-UHFFFAOYSA-N 1 2 346.412 3.095 20 5 EGBDLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])n3C)c2)[nH+]c1C ZINC000746884672 1298680565 /nfs/dbraw/zinc/68/05/65/1298680565.db2.gz VEIDRRBANKRPSX-UHFFFAOYSA-N 1 2 339.355 3.193 20 5 EGBDLO Cc1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000755251425 1300308707 /nfs/dbraw/zinc/30/87/07/1300308707.db2.gz YLPQYDAYDPJAHX-UHFFFAOYSA-N 1 2 337.335 3.367 20 5 EGBDLO C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000759249635 1301050146 /nfs/dbraw/zinc/05/01/46/1301050146.db2.gz YTFHRZIQROIYTR-RISCZKNCSA-N 1 2 343.412 3.489 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000761056667 1301396195 /nfs/dbraw/zinc/39/61/95/1301396195.db2.gz PDAHXAXPHLPUFV-JTQLQIEISA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000761056667 1301396203 /nfs/dbraw/zinc/39/62/03/1301396203.db2.gz PDAHXAXPHLPUFV-JTQLQIEISA-N 1 2 342.277 3.029 20 5 EGBDLO CC1(C)C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000769464399 1303118345 /nfs/dbraw/zinc/11/83/45/1303118345.db2.gz WBZVDFKJEGKHDF-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO CC1(C)C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000769464399 1303118351 /nfs/dbraw/zinc/11/83/51/1303118351.db2.gz WBZVDFKJEGKHDF-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO CCC1(O)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769488790 1303124765 /nfs/dbraw/zinc/12/47/65/1303124765.db2.gz ZHRCHGYFYFNJGS-UHFFFAOYSA-N 1 2 343.221 3.094 20 5 EGBDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795672873 1309803845 /nfs/dbraw/zinc/80/38/45/1309803845.db2.gz BRAUBXDKNXCLJO-XJKSGUPXSA-N 1 2 330.388 3.231 20 5 EGBDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795672873 1309803858 /nfs/dbraw/zinc/80/38/58/1309803858.db2.gz BRAUBXDKNXCLJO-XJKSGUPXSA-N 1 2 330.388 3.231 20 5 EGBDLO CN(C)c1cc(COC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000796440385 1309999745 /nfs/dbraw/zinc/99/97/45/1309999745.db2.gz XSJCTRHGYANKKM-UHFFFAOYSA-N 1 2 343.383 3.077 20 5 EGBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CC)C(=O)OCC ZINC000801548936 1310964815 /nfs/dbraw/zinc/96/48/15/1310964815.db2.gz XMFMRAPQRNSQAK-CQSZACIVSA-N 1 2 326.368 3.288 20 5 EGBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CC)C(=O)OCC ZINC000801548936 1310964821 /nfs/dbraw/zinc/96/48/21/1310964821.db2.gz XMFMRAPQRNSQAK-CQSZACIVSA-N 1 2 326.368 3.288 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1nncn1C)C(C)C ZINC000903066545 1317646043 /nfs/dbraw/zinc/64/60/43/1317646043.db2.gz VUNJSHJKWFRYLK-NHYWBVRUSA-N 1 2 349.460 3.493 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000817523252 1319386181 /nfs/dbraw/zinc/38/61/81/1319386181.db2.gz IHGSCVKAXKSNCN-INIZCTEOSA-N 1 2 344.415 3.253 20 5 EGBDLO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000915656182 1319512934 /nfs/dbraw/zinc/51/29/34/1319512934.db2.gz WDCNNPWACPWSQW-UHFFFAOYSA-N 1 2 340.314 3.231 20 5 EGBDLO CCn1nc(C)c(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000818346057 1319534364 /nfs/dbraw/zinc/53/43/64/1319534364.db2.gz QZGOPAKZPVICAY-INIZCTEOSA-N 1 2 329.404 3.072 20 5 EGBDLO O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916351788 1319642925 /nfs/dbraw/zinc/64/29/25/1319642925.db2.gz DVUWKVWPIORMBZ-UHFFFAOYSA-N 1 2 337.335 3.197 20 5 EGBDLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850184437 1322203211 /nfs/dbraw/zinc/20/32/11/1322203211.db2.gz QGLSMEPFAROHDI-UHFFFAOYSA-N 1 2 348.712 3.290 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000931770569 1329180054 /nfs/dbraw/zinc/18/00/54/1329180054.db2.gz CGLFPKYXAZYNCG-NSHDSACASA-N 1 2 346.412 3.060 20 5 EGBDLO CC1(NC(=O)C2CC=CC2)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001045396140 1346582325 /nfs/dbraw/zinc/58/23/25/1346582325.db2.gz ZIPHNJJWSYGLIA-UHFFFAOYSA-N 1 2 349.456 3.093 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)OCCCc1c[nH+]cn1C ZINC001122974052 1372351859 /nfs/dbraw/zinc/35/18/59/1372351859.db2.gz QNFIIIXFPWOBPB-UHFFFAOYSA-N 1 2 349.412 3.230 20 5 EGBDLO Cc1ncc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1[N+](=O)[O-] ZINC001213209935 1372861637 /nfs/dbraw/zinc/86/16/37/1372861637.db2.gz DGPYONDHRLTQRS-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)cs1 ZINC001326644549 1388266218 /nfs/dbraw/zinc/26/62/18/1388266218.db2.gz TZIGUNQBCVXRKI-UHFFFAOYSA-N 1 2 347.318 3.282 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225904516 1375172395 /nfs/dbraw/zinc/17/23/95/1375172395.db2.gz FLWRLANZKZMZGY-MRXNPFEDSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225904516 1375172397 /nfs/dbraw/zinc/17/23/97/1375172397.db2.gz FLWRLANZKZMZGY-MRXNPFEDSA-N 1 2 346.358 3.014 20 5 EGBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001226386650 1375250445 /nfs/dbraw/zinc/25/04/45/1375250445.db2.gz PXDBLXOEFPQTHJ-HNNXBMFYSA-N 1 2 342.395 3.361 20 5 EGBDLO COC(=O)[C@@H]1C[C@@H](Oc2cccc3ccc4cccnc4c32)C[N@@H+]1C ZINC001227765124 1375472569 /nfs/dbraw/zinc/47/25/69/1375472569.db2.gz SZALLKGSVBZMME-CVEARBPZSA-N 1 2 336.391 3.013 20 5 EGBDLO COC(=O)[C@@H]1C[C@@H](Oc2cccc3ccc4cccnc4c32)C[N@H+]1C ZINC001227765124 1375472574 /nfs/dbraw/zinc/47/25/74/1375472574.db2.gz SZALLKGSVBZMME-CVEARBPZSA-N 1 2 336.391 3.013 20 5 EGBDLO Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001230144423 1375952087 /nfs/dbraw/zinc/95/20/87/1375952087.db2.gz VRFYCAJYCUETQO-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC001230144423 1375952091 /nfs/dbraw/zinc/95/20/91/1375952091.db2.gz VRFYCAJYCUETQO-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001161563235 1382439898 /nfs/dbraw/zinc/43/98/98/1382439898.db2.gz URDCCZJHGQKMOC-UHFFFAOYSA-N 1 2 345.737 3.260 20 5 EGBDLO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1 ZINC001175899632 1385432337 /nfs/dbraw/zinc/43/23/37/1385432337.db2.gz ZHBBRAUABAJCPD-KPKJPENVSA-N 1 2 340.383 3.034 20 5 EGBDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccncc1 ZINC001319660469 1386240474 /nfs/dbraw/zinc/24/04/74/1386240474.db2.gz RQCZXTRFNOUFOB-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])Cc1ccncc1 ZINC001319660469 1386240477 /nfs/dbraw/zinc/24/04/77/1386240477.db2.gz RQCZXTRFNOUFOB-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO Cc1csc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000052662501 214139853 /nfs/dbraw/zinc/13/98/53/214139853.db2.gz CLZAHQXUPUYEIU-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO Cc1ccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000093413261 218222218 /nfs/dbraw/zinc/22/22/18/218222218.db2.gz SSNPBULDNANCSR-INIZCTEOSA-N 1 2 340.427 3.177 20 5 EGBDLO Cc1c(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000118836406 221192145 /nfs/dbraw/zinc/19/21/45/221192145.db2.gz PKFKOMNYYMCYMB-MRXNPFEDSA-N 1 2 340.427 3.177 20 5 EGBDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000341215751 141139769 /nfs/dbraw/zinc/13/97/69/141139769.db2.gz UXSOPBAQWIQSJW-SNVBAGLBSA-N 1 2 335.310 3.162 20 5 EGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000051347418 142577108 /nfs/dbraw/zinc/57/71/08/142577108.db2.gz FITNAIBJPORTCJ-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344704207 144211706 /nfs/dbraw/zinc/21/17/06/144211706.db2.gz MEIYWSTWTIXYNG-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344704207 144211708 /nfs/dbraw/zinc/21/17/08/144211708.db2.gz MEIYWSTWTIXYNG-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO O=[N+]([O-])c1cccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c1 ZINC000351062761 144253906 /nfs/dbraw/zinc/25/39/06/144253906.db2.gz KBICVBIDZRFCLN-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000351474820 144266535 /nfs/dbraw/zinc/26/65/35/144266535.db2.gz HCGKAENNYDXNPE-NHAGDIPZSA-N 1 2 342.399 3.335 20 5 EGBDLO COc1cccc(C=C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000351737794 144299124 /nfs/dbraw/zinc/29/91/24/144299124.db2.gz JNZLQRDEKYJUTI-UHFFFAOYSA-N 1 2 342.399 3.016 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000348872892 156270968 /nfs/dbraw/zinc/27/09/68/156270968.db2.gz DCPSVXODTIXMJR-HWKANZROSA-N 1 2 326.352 3.208 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000348872892 156270969 /nfs/dbraw/zinc/27/09/69/156270969.db2.gz DCPSVXODTIXMJR-HWKANZROSA-N 1 2 326.352 3.208 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000126129589 162295496 /nfs/dbraw/zinc/29/54/96/162295496.db2.gz NYZDKHHVGOAVOE-NHYWBVRUSA-N 1 2 348.790 3.168 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338328385 163213149 /nfs/dbraw/zinc/21/31/49/163213149.db2.gz RTLHXPJGWXABLR-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000338328385 163213152 /nfs/dbraw/zinc/21/31/52/163213152.db2.gz RTLHXPJGWXABLR-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000338523981 163258779 /nfs/dbraw/zinc/25/87/79/163258779.db2.gz LEIPZCXURNKPRQ-UHFFFAOYSA-N 1 2 340.339 3.202 20 5 EGBDLO CC1(C)CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000352131104 165250643 /nfs/dbraw/zinc/25/06/43/165250643.db2.gz NQPSWTRZUVXOIJ-ZDUSSCGKSA-N 1 2 328.372 3.089 20 5 EGBDLO Cc1ccn(C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC000352402498 165383606 /nfs/dbraw/zinc/38/36/06/165383606.db2.gz NTXNGVRFRQFHOM-UHFFFAOYSA-N 1 2 336.342 3.215 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000360368248 167312656 /nfs/dbraw/zinc/31/26/56/167312656.db2.gz ZIRRNRCHEUXHHV-UHFFFAOYSA-N 1 2 346.362 3.374 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)cs2)c1 ZINC000271126991 266606667 /nfs/dbraw/zinc/60/66/67/266606667.db2.gz NCCKHYCYTUPMQK-HOTGVXAUSA-N 1 2 345.424 3.472 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCO[C@H]4CCC[C@@H]43)cs2)c1 ZINC000271126991 266606668 /nfs/dbraw/zinc/60/66/68/266606668.db2.gz NCCKHYCYTUPMQK-HOTGVXAUSA-N 1 2 345.424 3.472 20 5 EGBDLO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000273452367 267041655 /nfs/dbraw/zinc/04/16/55/267041655.db2.gz LLFAFMKMRIVFBH-XHDPSFHLSA-N 1 2 347.350 3.045 20 5 EGBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339210545 274365255 /nfs/dbraw/zinc/36/52/55/274365255.db2.gz ZBXKGSPAZPIZPA-CYBMUJFWSA-N 1 2 345.374 3.150 20 5 EGBDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339210545 274365256 /nfs/dbraw/zinc/36/52/56/274365256.db2.gz ZBXKGSPAZPIZPA-CYBMUJFWSA-N 1 2 345.374 3.150 20 5 EGBDLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599217 275137833 /nfs/dbraw/zinc/13/78/33/275137833.db2.gz OWJXOBGFJVSQIG-HNNXBMFYSA-N 1 2 345.443 3.422 20 5 EGBDLO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599217 275137835 /nfs/dbraw/zinc/13/78/35/275137835.db2.gz OWJXOBGFJVSQIG-HNNXBMFYSA-N 1 2 345.443 3.422 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279957676 275381943 /nfs/dbraw/zinc/38/19/43/275381943.db2.gz YDXNFVZKGOTPJO-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279957676 275381945 /nfs/dbraw/zinc/38/19/45/275381945.db2.gz YDXNFVZKGOTPJO-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](CCCO)Cc2ccccn2)c(Cl)c1 ZINC000287943105 276171148 /nfs/dbraw/zinc/17/11/48/276171148.db2.gz XOGVIEIYJJVKIY-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)Cc2ccccn2)c(Cl)c1 ZINC000287943105 276171150 /nfs/dbraw/zinc/17/11/50/276171150.db2.gz XOGVIEIYJJVKIY-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000352948444 276289205 /nfs/dbraw/zinc/28/92/05/276289205.db2.gz SZVJXGHJRYXLBS-QGZVFWFLSA-N 1 2 340.379 3.257 20 5 EGBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000352948444 276289206 /nfs/dbraw/zinc/28/92/06/276289206.db2.gz SZVJXGHJRYXLBS-QGZVFWFLSA-N 1 2 340.379 3.257 20 5 EGBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1(F)F ZINC000289738787 276386117 /nfs/dbraw/zinc/38/61/17/276386117.db2.gz JMWPIMFCRRUUSX-JTQLQIEISA-N 1 2 338.314 3.122 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1(F)F ZINC000289738787 276386118 /nfs/dbraw/zinc/38/61/18/276386118.db2.gz JMWPIMFCRRUUSX-JTQLQIEISA-N 1 2 338.314 3.122 20 5 EGBDLO COCc1nc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cs1 ZINC000289865065 276408691 /nfs/dbraw/zinc/40/86/91/276408691.db2.gz QSDBEYDTTVJVBA-UHFFFAOYSA-N 1 2 327.793 3.141 20 5 EGBDLO Cc1c[nH+]cc(CCc2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1 ZINC000291790969 276691525 /nfs/dbraw/zinc/69/15/25/276691525.db2.gz BDUKTPCBSDVMTO-UHFFFAOYSA-N 1 2 338.367 3.366 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000152835965 307760406 /nfs/dbraw/zinc/76/04/06/307760406.db2.gz KQQLZQRCSJKRAJ-UHFFFAOYSA-N 1 2 332.404 3.495 20 5 EGBDLO CC[C@H](C)[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000294754832 308253601 /nfs/dbraw/zinc/25/36/01/308253601.db2.gz INRUVVVQEQVUTC-IAOVAPTHSA-N 1 2 346.431 3.068 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccccn1 ZINC000295111716 308292885 /nfs/dbraw/zinc/29/28/85/308292885.db2.gz HRNMERVGSBDYCB-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccn1 ZINC000295111716 308292887 /nfs/dbraw/zinc/29/28/87/308292887.db2.gz HRNMERVGSBDYCB-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000295334775 308315668 /nfs/dbraw/zinc/31/56/68/308315668.db2.gz ATJYLJTYEQNFJO-CYBMUJFWSA-N 1 2 348.790 3.205 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c2cccnc21 ZINC000413106432 309016422 /nfs/dbraw/zinc/01/64/22/309016422.db2.gz OGLMRTGJJOQYDX-CQSZACIVSA-N 1 2 349.394 3.476 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]([C@@H](CO)C3CC3)C3CC3)c2c1 ZINC000413310841 309026091 /nfs/dbraw/zinc/02/60/91/309026091.db2.gz DFFMPRPGDAMOLT-IRXDYDNUSA-N 1 2 327.384 3.352 20 5 EGBDLO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)c2[nH+]ccn21 ZINC000413310886 309026095 /nfs/dbraw/zinc/02/60/95/309026095.db2.gz DJBJFGRLCPMIBL-XVKPBYJWSA-N 1 2 327.266 3.323 20 5 EGBDLO CC(C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1(O)CCOCC1 ZINC000419021742 309259646 /nfs/dbraw/zinc/25/96/46/309259646.db2.gz UEABVGHRLSPAPO-UHFFFAOYSA-N 1 2 345.399 3.123 20 5 EGBDLO C[C@H]1CCC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448669198 310011635 /nfs/dbraw/zinc/01/16/35/310011635.db2.gz RNRFRAVOXXQQLJ-ZFWWWQNUSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@@H](C1CC1)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448685578 310012428 /nfs/dbraw/zinc/01/24/28/310012428.db2.gz ABBOUIPSZCOXBJ-LBPRGKRZSA-N 1 2 340.383 3.184 20 5 EGBDLO CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCCC1 ZINC000448774343 310016899 /nfs/dbraw/zinc/01/68/99/310016899.db2.gz YNMVPEFXZYKKBI-UHFFFAOYSA-N 1 2 328.372 3.233 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448903787 310023208 /nfs/dbraw/zinc/02/32/08/310023208.db2.gz JSMKVZJSVXIKSJ-BETUJISGSA-N 1 2 328.372 3.184 20 5 EGBDLO CC[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450096452 310103147 /nfs/dbraw/zinc/10/31/47/310103147.db2.gz IIXJSIASEMZFJE-TZMCWYRMSA-N 1 2 328.372 3.089 20 5 EGBDLO CCOc1cc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000450651123 310135134 /nfs/dbraw/zinc/13/51/34/310135134.db2.gz RRDIOUHNWPAAPY-HNNXBMFYSA-N 1 2 330.388 3.315 20 5 EGBDLO CC(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450984996 310153679 /nfs/dbraw/zinc/15/36/79/310153679.db2.gz ZDISSFDGEUOVGT-HNNXBMFYSA-N 1 2 342.399 3.289 20 5 EGBDLO C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2[nH+]ccn21 ZINC000456355234 310400816 /nfs/dbraw/zinc/40/08/16/310400816.db2.gz APPFKXWYLPNWTG-CABZTGNLSA-N 1 2 342.380 3.442 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000487423835 311022665 /nfs/dbraw/zinc/02/26/65/311022665.db2.gz BKCINYAWIFEJHB-OAHLLOKOSA-N 1 2 339.395 3.114 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487731452 311035618 /nfs/dbraw/zinc/03/56/18/311035618.db2.gz NNMWMUCZOBNIDG-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO Cn1c2ccccc2[nH+]c1CCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000487933658 311043580 /nfs/dbraw/zinc/04/35/80/311043580.db2.gz UOOVVGDINKDQMU-UHFFFAOYSA-N 1 2 348.362 3.039 20 5 EGBDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506271245 312046650 /nfs/dbraw/zinc/04/66/50/312046650.db2.gz WNVNKVMZBYUQET-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506271245 312046652 /nfs/dbraw/zinc/04/66/52/312046652.db2.gz WNVNKVMZBYUQET-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO Cc1cc(N)nc(SCc2cc([N+](=O)[O-])ccc2OC(C)C)[nH+]1 ZINC000511112374 312154966 /nfs/dbraw/zinc/15/49/66/312154966.db2.gz ZCJTYMDNTWEPOB-UHFFFAOYSA-N 1 2 334.401 3.185 20 5 EGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000523301762 312613654 /nfs/dbraw/zinc/61/36/54/312613654.db2.gz HMYVYTAWHFJXMC-UHFFFAOYSA-N 1 2 338.323 3.373 20 5 EGBDLO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000070444847 454169003 /nfs/dbraw/zinc/16/90/03/454169003.db2.gz XDSLYEUAQXYMMC-MRVPVSSYSA-N 1 2 325.166 3.264 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000536016479 314088501 /nfs/dbraw/zinc/08/85/01/314088501.db2.gz DBAMGSRBZSJGKD-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCOc2ccccc2-n2cc[nH+]c2)cc1 ZINC000542981231 314596898 /nfs/dbraw/zinc/59/68/98/314596898.db2.gz IIFROOJQPJAIFX-UHFFFAOYSA-N 1 2 325.324 3.238 20 5 EGBDLO COC(=O)CCC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000560463717 315693438 /nfs/dbraw/zinc/69/34/38/315693438.db2.gz JAYFXDDVGOQUDC-UHFFFAOYSA-N 1 2 342.342 3.038 20 5 EGBDLO Cn1cc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cccc(F)c2)cn1 ZINC000180825012 455251806 /nfs/dbraw/zinc/25/18/06/455251806.db2.gz VQKAUIOPFUODPI-GOSISDBHSA-N 1 2 340.358 3.347 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158703791 455324141 /nfs/dbraw/zinc/32/41/41/455324141.db2.gz OQDUGGWFHMXXCZ-IBGZPJMESA-N 1 2 342.370 3.408 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158703791 455324148 /nfs/dbraw/zinc/32/41/48/455324148.db2.gz OQDUGGWFHMXXCZ-IBGZPJMESA-N 1 2 342.370 3.408 20 5 EGBDLO CCNC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000006620994 452961331 /nfs/dbraw/zinc/96/13/31/452961331.db2.gz WVWLOZWRXQFUGM-UHFFFAOYSA-N 1 2 336.420 3.264 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1[N+](=O)[O-] ZINC000007360804 453062960 /nfs/dbraw/zinc/06/29/60/453062960.db2.gz KHULSLZSOVAJOE-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1[N+](=O)[O-] ZINC000007360804 453062969 /nfs/dbraw/zinc/06/29/69/453062969.db2.gz KHULSLZSOVAJOE-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO COc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000184223243 455363812 /nfs/dbraw/zinc/36/38/12/455363812.db2.gz WQRDGNSNQOYMDU-UHFFFAOYSA-N 1 2 338.379 3.278 20 5 EGBDLO COc1cc(C[N@H+]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000184223243 455363816 /nfs/dbraw/zinc/36/38/16/455363816.db2.gz WQRDGNSNQOYMDU-UHFFFAOYSA-N 1 2 338.379 3.278 20 5 EGBDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348604 453797507 /nfs/dbraw/zinc/79/75/07/453797507.db2.gz ICCNJWDQZSXPGE-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348604 453797510 /nfs/dbraw/zinc/79/75/10/453797510.db2.gz ICCNJWDQZSXPGE-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032245238 453866150 /nfs/dbraw/zinc/86/61/50/453866150.db2.gz ZJJROWWGMKMXRM-CYBMUJFWSA-N 1 2 328.372 3.043 20 5 EGBDLO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000054131762 453912822 /nfs/dbraw/zinc/91/28/22/453912822.db2.gz WXJRSBCKRHEYNK-UHFFFAOYSA-N 1 2 345.374 3.380 20 5 EGBDLO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000054131762 453912824 /nfs/dbraw/zinc/91/28/24/453912824.db2.gz WXJRSBCKRHEYNK-UHFFFAOYSA-N 1 2 345.374 3.380 20 5 EGBDLO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000054224958 453917750 /nfs/dbraw/zinc/91/77/50/453917750.db2.gz VBKLFBDRSNPRSQ-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000076496174 454008991 /nfs/dbraw/zinc/00/89/91/454008991.db2.gz QPLVTSHPYAUQCH-ZDUSSCGKSA-N 1 2 345.424 3.003 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000076496174 454008994 /nfs/dbraw/zinc/00/89/94/454008994.db2.gz QPLVTSHPYAUQCH-ZDUSSCGKSA-N 1 2 345.424 3.003 20 5 EGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000087223368 454071531 /nfs/dbraw/zinc/07/15/31/454071531.db2.gz LQBJJNQVHHBRJT-OAHLLOKOSA-N 1 2 328.372 3.004 20 5 EGBDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000069302906 454093167 /nfs/dbraw/zinc/09/31/67/454093167.db2.gz SVYNEDZTCAYOTD-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000069302906 454093168 /nfs/dbraw/zinc/09/31/68/454093168.db2.gz SVYNEDZTCAYOTD-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO CCN(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088606979 454114728 /nfs/dbraw/zinc/11/47/28/454114728.db2.gz QVMIJEFHIBLTQL-UHFFFAOYSA-N 1 2 339.395 3.006 20 5 EGBDLO CCN(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000088606979 454114730 /nfs/dbraw/zinc/11/47/30/454114730.db2.gz QVMIJEFHIBLTQL-UHFFFAOYSA-N 1 2 339.395 3.006 20 5 EGBDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616552 454116006 /nfs/dbraw/zinc/11/60/06/454116006.db2.gz PYMPHXKVIPTELH-SOUVJXGZSA-N 1 2 345.443 3.131 20 5 EGBDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616552 454116010 /nfs/dbraw/zinc/11/60/10/454116010.db2.gz PYMPHXKVIPTELH-SOUVJXGZSA-N 1 2 345.443 3.131 20 5 EGBDLO Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc[nH+]1 ZINC000119854969 454227469 /nfs/dbraw/zinc/22/74/69/454227469.db2.gz XXHRNBCXYGJTFN-UHFFFAOYSA-N 1 2 326.356 3.495 20 5 EGBDLO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000131342283 454246441 /nfs/dbraw/zinc/24/64/41/454246441.db2.gz FSJGJAXLDJDMSS-LLVKDONJSA-N 1 2 330.340 3.094 20 5 EGBDLO COC(=O)c1ccc([C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000131342283 454246444 /nfs/dbraw/zinc/24/64/44/454246444.db2.gz FSJGJAXLDJDMSS-LLVKDONJSA-N 1 2 330.340 3.094 20 5 EGBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCOCC2)cc1 ZINC000071968827 454262872 /nfs/dbraw/zinc/26/28/72/454262872.db2.gz BNIGSNJAEFMMEU-LJQANCHMSA-N 1 2 341.411 3.389 20 5 EGBDLO CC(C)CN(CC(C)C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598891 454263906 /nfs/dbraw/zinc/26/39/06/454263906.db2.gz QVQIZJDWMYXXQZ-UHFFFAOYSA-N 1 2 335.448 3.167 20 5 EGBDLO CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598891 454263911 /nfs/dbraw/zinc/26/39/11/454263911.db2.gz QVQIZJDWMYXXQZ-UHFFFAOYSA-N 1 2 335.448 3.167 20 5 EGBDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])oc1C ZINC000072558463 454309790 /nfs/dbraw/zinc/30/97/90/454309790.db2.gz ULOMIFHUTUTELH-LLVKDONJSA-N 1 2 332.356 3.476 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])oc1C ZINC000072558463 454309792 /nfs/dbraw/zinc/30/97/92/454309792.db2.gz ULOMIFHUTUTELH-LLVKDONJSA-N 1 2 332.356 3.476 20 5 EGBDLO C[N@H+](Cc1cccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000048812056 454516673 /nfs/dbraw/zinc/51/66/73/454516673.db2.gz BTHZJXFLZSNFNX-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO C[N@@H+](Cc1cccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000048812056 454516678 /nfs/dbraw/zinc/51/66/78/454516678.db2.gz BTHZJXFLZSNFNX-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)c[nH+]1 ZINC000122487215 454538553 /nfs/dbraw/zinc/53/85/53/454538553.db2.gz ZFRRBDHQNKDKLX-UHFFFAOYSA-N 1 2 342.399 3.074 20 5 EGBDLO Cc1cc(N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000074727520 454626239 /nfs/dbraw/zinc/62/62/39/454626239.db2.gz XZRMTAYZSLNXNT-MRXNPFEDSA-N 1 2 341.346 3.372 20 5 EGBDLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092971812 454661929 /nfs/dbraw/zinc/66/19/29/454661929.db2.gz PSCBXZRWRTUWTN-GWCFXTLKSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092971812 454661935 /nfs/dbraw/zinc/66/19/35/454661935.db2.gz PSCBXZRWRTUWTN-GWCFXTLKSA-N 1 2 343.221 3.093 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)nc1 ZINC000052334229 454668291 /nfs/dbraw/zinc/66/82/91/454668291.db2.gz XEUKBYRGJJZTJY-UHFFFAOYSA-N 1 2 327.388 3.377 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000135414434 454674317 /nfs/dbraw/zinc/67/43/17/454674317.db2.gz LWLTZSFWTYPLNL-UHFFFAOYSA-N 1 2 329.347 3.207 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000135414434 454674322 /nfs/dbraw/zinc/67/43/22/454674322.db2.gz LWLTZSFWTYPLNL-UHFFFAOYSA-N 1 2 329.347 3.207 20 5 EGBDLO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093592965 454722430 /nfs/dbraw/zinc/72/24/30/454722430.db2.gz AJOIATYXTGOFSL-CYBMUJFWSA-N 1 2 328.368 3.299 20 5 EGBDLO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093592965 454722432 /nfs/dbraw/zinc/72/24/32/454722432.db2.gz AJOIATYXTGOFSL-CYBMUJFWSA-N 1 2 328.368 3.299 20 5 EGBDLO CC(C)(C)CCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153311763 454781236 /nfs/dbraw/zinc/78/12/36/454781236.db2.gz RSIRNGVSOUSAJU-UHFFFAOYSA-N 1 2 333.432 3.112 20 5 EGBDLO CC(C)(C)CCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153311763 454781239 /nfs/dbraw/zinc/78/12/39/454781239.db2.gz RSIRNGVSOUSAJU-UHFFFAOYSA-N 1 2 333.432 3.112 20 5 EGBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177786442 454905302 /nfs/dbraw/zinc/90/53/02/454905302.db2.gz NFMXYENJMKFAON-UHFFFAOYSA-N 1 2 345.746 3.218 20 5 EGBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000128321341 455045622 /nfs/dbraw/zinc/04/56/22/455045622.db2.gz APDXOQOLWYHIRA-UHFFFAOYSA-N 1 2 347.459 3.409 20 5 EGBDLO CC1(C)C[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC(C)(C)O1 ZINC000190535695 455339498 /nfs/dbraw/zinc/33/94/98/455339498.db2.gz JTPNFCJVARDTEE-UHFFFAOYSA-N 1 2 346.387 3.034 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000184251201 455365635 /nfs/dbraw/zinc/36/56/35/455365635.db2.gz JZRYOZPFATZGSJ-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000184251201 455365638 /nfs/dbraw/zinc/36/56/38/455365638.db2.gz JZRYOZPFATZGSJ-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO CC[C@H](CCO)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000268046570 455584705 /nfs/dbraw/zinc/58/47/05/455584705.db2.gz QLLWFAMNVNFUBN-CYBMUJFWSA-N 1 2 330.388 3.181 20 5 EGBDLO CC(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000284204930 455650822 /nfs/dbraw/zinc/65/08/22/455650822.db2.gz XHEQFLMSNSKTET-GFCCVEGCSA-N 1 2 337.767 3.490 20 5 EGBDLO CSc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000194707592 455876234 /nfs/dbraw/zinc/87/62/34/455876234.db2.gz RIXVGZMUYOQEOX-GFCCVEGCSA-N 1 2 346.412 3.407 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CCCO)c2ccccc2)c(F)c1 ZINC000285632016 455885174 /nfs/dbraw/zinc/88/51/74/455885174.db2.gz NKJCLNGRFYARIA-KRWDZBQOSA-N 1 2 336.338 3.476 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3c(F)cccc3C2)c2c(c1)COCO2 ZINC000270192983 455897854 /nfs/dbraw/zinc/89/78/54/455897854.db2.gz NSRMIJSMAWJTRU-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3c(F)cccc3C2)c2c(c1)COCO2 ZINC000270192983 455897861 /nfs/dbraw/zinc/89/78/61/455897861.db2.gz NSRMIJSMAWJTRU-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO Cc1cc(N2CCO[C@H]3CCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270225110 455906491 /nfs/dbraw/zinc/90/64/91/455906491.db2.gz NWJXHRYYNKCSTO-CVEARBPZSA-N 1 2 340.383 3.118 20 5 EGBDLO Cc1cc(N2CCO[C@H]3CCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270225112 455906546 /nfs/dbraw/zinc/90/65/46/455906546.db2.gz NWJXHRYYNKCSTO-HOTGVXAUSA-N 1 2 340.383 3.118 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000195340966 455946894 /nfs/dbraw/zinc/94/68/94/455946894.db2.gz XMVGSHUVIQWBGY-UHFFFAOYSA-N 1 2 328.376 3.041 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000271286691 456205931 /nfs/dbraw/zinc/20/59/31/456205931.db2.gz HLXCOCFDTVHKNB-BETUJISGSA-N 1 2 343.387 3.050 20 5 EGBDLO COc1cc(NCc2cn3c(cccc3C)[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000301934555 456254351 /nfs/dbraw/zinc/25/43/51/456254351.db2.gz QUFOIKWHDGPWEO-UHFFFAOYSA-N 1 2 330.319 3.311 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352785035 456304743 /nfs/dbraw/zinc/30/47/43/456304743.db2.gz SVEPVOUKALOSLY-INIZCTEOSA-N 1 2 336.351 3.180 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000297898158 456319224 /nfs/dbraw/zinc/31/92/24/456319224.db2.gz RTONBPBJAHOQLN-UHFFFAOYSA-N 1 2 341.358 3.127 20 5 EGBDLO CCN(CC)c1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)c[nH+]1 ZINC000302857729 456418297 /nfs/dbraw/zinc/41/82/97/456418297.db2.gz SQOWCVCOVYYARK-UHFFFAOYSA-N 1 2 341.415 3.416 20 5 EGBDLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282500331 456533687 /nfs/dbraw/zinc/53/36/87/456533687.db2.gz QUTKTGXVYTWPPJ-OAHLLOKOSA-N 1 2 334.397 3.045 20 5 EGBDLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282500331 456533692 /nfs/dbraw/zinc/53/36/92/456533692.db2.gz QUTKTGXVYTWPPJ-OAHLLOKOSA-N 1 2 334.397 3.045 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348238243 456560063 /nfs/dbraw/zinc/56/00/63/456560063.db2.gz YCSZOPWAHGJDGQ-ACJLOTCBSA-N 1 2 334.416 3.381 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348238243 456560072 /nfs/dbraw/zinc/56/00/72/456560072.db2.gz YCSZOPWAHGJDGQ-ACJLOTCBSA-N 1 2 334.416 3.381 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)Cc1cccnc1 ZINC000277027805 456658784 /nfs/dbraw/zinc/65/87/84/456658784.db2.gz DYRQCIQNNNTBEU-UHFFFAOYSA-N 1 2 345.399 3.037 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)Cc1cccnc1 ZINC000277027805 456658793 /nfs/dbraw/zinc/65/87/93/456658793.db2.gz DYRQCIQNNNTBEU-UHFFFAOYSA-N 1 2 345.399 3.037 20 5 EGBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000283030712 456695966 /nfs/dbraw/zinc/69/59/66/456695966.db2.gz NAMCOEVWKZIIMO-UHFFFAOYSA-N 1 2 347.440 3.103 20 5 EGBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000283030712 456695969 /nfs/dbraw/zinc/69/59/69/456695969.db2.gz NAMCOEVWKZIIMO-UHFFFAOYSA-N 1 2 347.440 3.103 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2ccccc2N(C)C)c([N+](=O)[O-])cc1F ZINC000344107281 456797312 /nfs/dbraw/zinc/79/73/12/456797312.db2.gz JHXVQTPMIFJQET-UHFFFAOYSA-N 1 2 347.390 3.441 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2ccccc2N(C)C)c([N+](=O)[O-])cc1F ZINC000344107281 456797314 /nfs/dbraw/zinc/79/73/14/456797314.db2.gz JHXVQTPMIFJQET-UHFFFAOYSA-N 1 2 347.390 3.441 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000353759057 456893970 /nfs/dbraw/zinc/89/39/70/456893970.db2.gz NTAVJBFYTXQOPW-QGZVFWFLSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000353759057 456893973 /nfs/dbraw/zinc/89/39/73/456893973.db2.gz NTAVJBFYTXQOPW-QGZVFWFLSA-N 1 2 343.358 3.337 20 5 EGBDLO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000339203256 456990333 /nfs/dbraw/zinc/99/03/33/456990333.db2.gz LNROFGPAIDTJGJ-OAHLLOKOSA-N 1 2 336.775 3.431 20 5 EGBDLO C[C@@H]1[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1(C)C ZINC000330545918 457055920 /nfs/dbraw/zinc/05/59/20/457055920.db2.gz ZXHUDUDXCNJGEJ-LBPRGKRZSA-N 1 2 331.372 3.249 20 5 EGBDLO C[C@@H]1[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1(C)C ZINC000330545918 457055928 /nfs/dbraw/zinc/05/59/28/457055928.db2.gz ZXHUDUDXCNJGEJ-LBPRGKRZSA-N 1 2 331.372 3.249 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ncc([N+](=O)[O-])cc2C)C3)cc1 ZINC000362950611 457171134 /nfs/dbraw/zinc/17/11/34/457171134.db2.gz FNRYUMQCPWFWED-UHFFFAOYSA-N 1 2 349.394 3.355 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)c(OC(F)F)c1 ZINC000354525755 457270842 /nfs/dbraw/zinc/27/08/42/457270842.db2.gz YYPIFINDEDJCTF-UHFFFAOYSA-N 1 2 334.282 3.456 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000357034056 457288955 /nfs/dbraw/zinc/28/89/55/457288955.db2.gz HATAJSBLXSTLJB-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000357034056 457288963 /nfs/dbraw/zinc/28/89/63/457288963.db2.gz HATAJSBLXSTLJB-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000332295797 457343340 /nfs/dbraw/zinc/34/33/40/457343340.db2.gz KOHYOMAYBKPGCZ-MQMHXKEQSA-N 1 2 328.372 3.089 20 5 EGBDLO CC1(C)CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000360854731 457386335 /nfs/dbraw/zinc/38/63/35/457386335.db2.gz VDYXBDJQYUIAMM-CQSZACIVSA-N 1 2 342.399 3.337 20 5 EGBDLO COc1ccc(OC)c(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352675929 457520681 /nfs/dbraw/zinc/52/06/81/457520681.db2.gz HCCZTJPALJIVMQ-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc(OC)c(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352675929 457520685 /nfs/dbraw/zinc/52/06/85/457520685.db2.gz HCCZTJPALJIVMQ-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267891 457673384 /nfs/dbraw/zinc/67/33/84/457673384.db2.gz SOJGCTXSFAXUKT-MRXNPFEDSA-N 1 2 325.372 3.449 20 5 EGBDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267891 457673387 /nfs/dbraw/zinc/67/33/87/457673387.db2.gz SOJGCTXSFAXUKT-MRXNPFEDSA-N 1 2 325.372 3.449 20 5 EGBDLO O=C(c1cc2ccccc2c2cccnc12)N1CCn2c[nH+]cc2C1 ZINC000365718064 457772047 /nfs/dbraw/zinc/77/20/47/457772047.db2.gz JSNDCMFZXKOHNM-UHFFFAOYSA-N 1 2 328.375 3.241 20 5 EGBDLO CCCc1csc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000426402648 457822770 /nfs/dbraw/zinc/82/27/70/457822770.db2.gz SEBIAHKUAKOAMW-GFCCVEGCSA-N 1 2 347.444 3.085 20 5 EGBDLO CCCc1csc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000426402648 457822778 /nfs/dbraw/zinc/82/27/78/457822778.db2.gz SEBIAHKUAKOAMW-GFCCVEGCSA-N 1 2 347.444 3.085 20 5 EGBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(C)cs1 ZINC000444674886 457935693 /nfs/dbraw/zinc/93/56/93/457935693.db2.gz MDAKZJJEKKYCQQ-LLVKDONJSA-N 1 2 331.401 3.477 20 5 EGBDLO Cc1ccc(C[NH2+]Cc2noc(-c3ccccc3F)n2)cc1[N+](=O)[O-] ZINC000375742232 458043505 /nfs/dbraw/zinc/04/35/05/458043505.db2.gz LUASJWSJXCBKOP-UHFFFAOYSA-N 1 2 342.330 3.382 20 5 EGBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)Cc1ccccc1 ZINC000445488000 458057435 /nfs/dbraw/zinc/05/74/35/458057435.db2.gz VLSHLDXLTCDOGX-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)Cc1ccccc1 ZINC000445488000 458057438 /nfs/dbraw/zinc/05/74/38/458057438.db2.gz VLSHLDXLTCDOGX-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO Cc1cc(C)cc(C2=CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000362327525 458106770 /nfs/dbraw/zinc/10/67/70/458106770.db2.gz SQYQIBVZFLJFKP-UHFFFAOYSA-N 1 2 326.400 3.234 20 5 EGBDLO Cc1cc(C)cc(C2=CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000362327525 458106776 /nfs/dbraw/zinc/10/67/76/458106776.db2.gz SQYQIBVZFLJFKP-UHFFFAOYSA-N 1 2 326.400 3.234 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377691891 458510783 /nfs/dbraw/zinc/51/07/83/458510783.db2.gz FWHVXRMMCICKLC-MSOLQXFVSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377691891 458510784 /nfs/dbraw/zinc/51/07/84/458510784.db2.gz FWHVXRMMCICKLC-MSOLQXFVSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000439243729 458674691 /nfs/dbraw/zinc/67/46/91/458674691.db2.gz FSWSZCVWKQQUNB-UHFFFAOYSA-N 1 2 338.367 3.296 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000464844115 458783076 /nfs/dbraw/zinc/78/30/76/458783076.db2.gz DMTMZLKJBHMUIE-MAUKXSAKSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000464844115 458783083 /nfs/dbraw/zinc/78/30/83/458783083.db2.gz DMTMZLKJBHMUIE-MAUKXSAKSA-N 1 2 342.395 3.436 20 5 EGBDLO CCOC[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000473719833 458840712 /nfs/dbraw/zinc/84/07/12/458840712.db2.gz GGTZIBCRDUXNAH-MRXNPFEDSA-N 1 2 344.415 3.255 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc3c(cc1[N+](=O)[O-])CCCC3)CCC2 ZINC000567750321 459160841 /nfs/dbraw/zinc/16/08/41/459160841.db2.gz QZXNEWFUUDQUAR-CQSZACIVSA-N 1 2 341.415 3.363 20 5 EGBDLO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595007222 459213111 /nfs/dbraw/zinc/21/31/11/459213111.db2.gz KHEVHTRTGPWZJI-LBPRGKRZSA-N 1 2 331.372 3.248 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cn2ccc(C)cc2n1 ZINC000595014499 459214782 /nfs/dbraw/zinc/21/47/82/459214782.db2.gz WEWWOSJJUVDUFC-CYBMUJFWSA-N 1 2 340.383 3.410 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nn(C)c2ccccc12 ZINC000595031026 459222227 /nfs/dbraw/zinc/22/22/27/459222227.db2.gz CPFHXSRCTPUKSI-GFCCVEGCSA-N 1 2 340.383 3.341 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000595288164 459267491 /nfs/dbraw/zinc/26/74/91/459267491.db2.gz KVSUOYXTTNQMPP-AWEZNQCLSA-N 1 2 347.371 3.246 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000595288164 459267495 /nfs/dbraw/zinc/26/74/95/459267495.db2.gz KVSUOYXTTNQMPP-AWEZNQCLSA-N 1 2 347.371 3.246 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1c(Br)cccc1[N+](=O)[O-] ZINC000596166268 459544987 /nfs/dbraw/zinc/54/49/87/459544987.db2.gz RMYYWKIRWVKAJT-UHFFFAOYSA-N 1 2 339.193 3.080 20 5 EGBDLO C[C@H](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000573210819 459643815 /nfs/dbraw/zinc/64/38/15/459643815.db2.gz YARLVYXXCNTSJQ-MLGOLLRUSA-N 1 2 346.412 3.017 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](CC)CO1 ZINC000593059351 459759214 /nfs/dbraw/zinc/75/92/14/459759214.db2.gz PIFPUUNSQUBWNS-ZFWWWQNUSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](CC)CO1 ZINC000593059351 459759219 /nfs/dbraw/zinc/75/92/19/459759219.db2.gz PIFPUUNSQUBWNS-ZFWWWQNUSA-N 1 2 346.387 3.034 20 5 EGBDLO Cn1ccnc1[C@@H](C1CC1)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602441117 459938539 /nfs/dbraw/zinc/93/85/39/459938539.db2.gz UANOXRRWTDLOMY-QGZVFWFLSA-N 1 2 326.400 3.444 20 5 EGBDLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602441117 459938547 /nfs/dbraw/zinc/93/85/47/459938547.db2.gz UANOXRRWTDLOMY-QGZVFWFLSA-N 1 2 326.400 3.444 20 5 EGBDLO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602589199 460012483 /nfs/dbraw/zinc/01/24/83/460012483.db2.gz DVQOASQNPBVKQS-DTWKUNHWSA-N 1 2 349.250 3.012 20 5 EGBDLO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602589199 460012491 /nfs/dbraw/zinc/01/24/91/460012491.db2.gz DVQOASQNPBVKQS-DTWKUNHWSA-N 1 2 349.250 3.012 20 5 EGBDLO CCn1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000602692599 460068677 /nfs/dbraw/zinc/06/86/77/460068677.db2.gz BLNHBPXUKGSEIL-UHFFFAOYSA-N 1 2 328.294 3.120 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610390901 460141486 /nfs/dbraw/zinc/14/14/86/460141486.db2.gz PLSKRNLVVZBVSE-GFCCVEGCSA-N 1 2 326.352 3.458 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610390901 460141490 /nfs/dbraw/zinc/14/14/90/460141490.db2.gz PLSKRNLVVZBVSE-GFCCVEGCSA-N 1 2 326.352 3.458 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCCc1cn2cccc(C)c2[nH+]1 ZINC000610468901 460158112 /nfs/dbraw/zinc/15/81/12/460158112.db2.gz SCCYWSNTBPYXTE-UHFFFAOYSA-N 1 2 340.383 3.352 20 5 EGBDLO O=[N+]([O-])c1ncccc1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000610575897 460186704 /nfs/dbraw/zinc/18/67/04/460186704.db2.gz QGAGOALGKFYKNI-UHFFFAOYSA-N 1 2 337.383 3.431 20 5 EGBDLO Cc1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)ncn1 ZINC000611134229 460294755 /nfs/dbraw/zinc/29/47/55/460294755.db2.gz CUUHGMIDFVXEQQ-UHFFFAOYSA-N 1 2 341.396 3.107 20 5 EGBDLO CCC(CC)C(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611254848 460318074 /nfs/dbraw/zinc/31/80/74/460318074.db2.gz JHYIPTGXOCQLBM-VQHVLOKHSA-N 1 2 345.443 3.188 20 5 EGBDLO COc1ccc2[nH+]c(NCCNc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000603840551 460345813 /nfs/dbraw/zinc/34/58/13/460345813.db2.gz JWHYLWISNLESPO-UHFFFAOYSA-N 1 2 338.367 3.098 20 5 EGBDLO CCOC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600201700 460435841 /nfs/dbraw/zinc/43/58/41/460435841.db2.gz UXTJCAAVZGMOCV-KRWDZBQOSA-N 1 2 346.383 3.092 20 5 EGBDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600201700 460435847 /nfs/dbraw/zinc/43/58/47/460435847.db2.gz UXTJCAAVZGMOCV-KRWDZBQOSA-N 1 2 346.383 3.092 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000601240944 460762331 /nfs/dbraw/zinc/76/23/31/460762331.db2.gz SAIAFNSMUZUCIL-UHFFFAOYSA-N 1 2 330.413 3.155 20 5 EGBDLO COc1ccc(CNc2[nH+]c3ccccc3n2C2CC2)cc1[N+](=O)[O-] ZINC000613104255 460828873 /nfs/dbraw/zinc/82/88/73/460828873.db2.gz UOUKCCIKZROHTB-UHFFFAOYSA-N 1 2 338.367 3.322 20 5 EGBDLO COc1cc(C[N@@H+]2CC(C)(C)OCC2(C)C)c([N+](=O)[O-])cc1F ZINC000613379338 460929039 /nfs/dbraw/zinc/92/90/39/460929039.db2.gz DHTTZMBIJDVIIX-UHFFFAOYSA-N 1 2 326.368 3.132 20 5 EGBDLO COc1cc(C[N@H+]2CC(C)(C)OCC2(C)C)c([N+](=O)[O-])cc1F ZINC000613379338 460929045 /nfs/dbraw/zinc/92/90/45/460929045.db2.gz DHTTZMBIJDVIIX-UHFFFAOYSA-N 1 2 326.368 3.132 20 5 EGBDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000183929875 534537865 /nfs/dbraw/zinc/53/78/65/534537865.db2.gz ZSVKTGKEFNADOC-UHFFFAOYSA-N 1 2 348.428 3.132 20 5 EGBDLO Nc1nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2ccccc12 ZINC000181526684 534746615 /nfs/dbraw/zinc/74/66/15/534746615.db2.gz TYDBVGRADQWWCO-UHFFFAOYSA-N 1 2 349.394 3.285 20 5 EGBDLO Nc1nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc2ccccc12 ZINC000181526684 534746625 /nfs/dbraw/zinc/74/66/25/534746625.db2.gz TYDBVGRADQWWCO-UHFFFAOYSA-N 1 2 349.394 3.285 20 5 EGBDLO CC(C)c1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000190187718 528058729 /nfs/dbraw/zinc/05/87/29/528058729.db2.gz DATQCPDDZDAWIZ-UHFFFAOYSA-N 1 2 330.388 3.077 20 5 EGBDLO C[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2C1 ZINC000728833551 574775178 /nfs/dbraw/zinc/77/51/78/574775178.db2.gz GVUGLTKVQGQTNT-UHFFFAOYSA-N 1 2 345.786 3.340 20 5 EGBDLO C[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2C1 ZINC000728833551 574775180 /nfs/dbraw/zinc/77/51/80/574775180.db2.gz GVUGLTKVQGQTNT-UHFFFAOYSA-N 1 2 345.786 3.340 20 5 EGBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000731668958 575195400 /nfs/dbraw/zinc/19/54/00/575195400.db2.gz LDMOCLJUDMPWAF-ZDUSSCGKSA-N 1 2 335.404 3.036 20 5 EGBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000731668958 575195402 /nfs/dbraw/zinc/19/54/02/575195402.db2.gz LDMOCLJUDMPWAF-ZDUSSCGKSA-N 1 2 335.404 3.036 20 5 EGBDLO Cc1cc(NCCNc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000736295191 575928452 /nfs/dbraw/zinc/92/84/52/575928452.db2.gz RHBOPSSFLGTFQK-UHFFFAOYSA-N 1 2 349.394 3.306 20 5 EGBDLO Cc1cnc(NCc2ccc[nH+]c2N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742430049 576783568 /nfs/dbraw/zinc/78/35/68/576783568.db2.gz QNQVUZPENIGHJK-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO CCOC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157795341 1294188017 /nfs/dbraw/zinc/18/80/17/1294188017.db2.gz LAGWBTNTETUHSA-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1c1ccccc1 ZINC000173459018 1294462861 /nfs/dbraw/zinc/46/28/61/1294462861.db2.gz HMMPGVNJVMRIGK-PXAZEXFGSA-N 1 2 339.351 3.153 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1c1ccccc1 ZINC000173459018 1294462862 /nfs/dbraw/zinc/46/28/62/1294462862.db2.gz HMMPGVNJVMRIGK-PXAZEXFGSA-N 1 2 339.351 3.153 20 5 EGBDLO C[NH+](C)[C@H](CNc1ccnc(F)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000881986236 1301773784 /nfs/dbraw/zinc/77/37/84/1301773784.db2.gz YLYYFHSNSJISPW-GFCCVEGCSA-N 1 2 340.305 3.122 20 5 EGBDLO CC(C)CC[C@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767759682 1302757917 /nfs/dbraw/zinc/75/79/17/1302757917.db2.gz SDGDZYKRDGAXKO-LLVKDONJSA-N 1 2 345.241 3.412 20 5 EGBDLO CC(C)CC[C@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767759682 1302757913 /nfs/dbraw/zinc/75/79/13/1302757913.db2.gz SDGDZYKRDGAXKO-LLVKDONJSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767765834 1302760965 /nfs/dbraw/zinc/76/09/65/1302760965.db2.gz PZEMWOXOAHAQSR-JQWIXIFHSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767765834 1302760968 /nfs/dbraw/zinc/76/09/68/1302760968.db2.gz PZEMWOXOAHAQSR-JQWIXIFHSA-N 1 2 345.241 3.412 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1Cl ZINC000768542259 1302930309 /nfs/dbraw/zinc/93/03/09/1302930309.db2.gz SGCHMYLEDUTZGJ-CMPLNLGQSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1Cl ZINC000768542259 1302930313 /nfs/dbraw/zinc/93/03/13/1302930313.db2.gz SGCHMYLEDUTZGJ-CMPLNLGQSA-N 1 2 338.713 3.136 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769997451 1303204630 /nfs/dbraw/zinc/20/46/30/1303204630.db2.gz KFALMBNLBGMPLZ-SNVBAGLBSA-N 1 2 349.778 3.003 20 5 EGBDLO COc1c(O)ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c1[N+](=O)[O-] ZINC000892621683 1305474992 /nfs/dbraw/zinc/47/49/92/1305474992.db2.gz LLQUSUWBXUQHLS-GXFFZTMASA-N 1 2 332.356 3.315 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000807923216 1317601308 /nfs/dbraw/zinc/60/13/08/1317601308.db2.gz OUGPZZWDAMSGTR-CHWSQXEVSA-N 1 2 349.431 3.097 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000807923217 1317601500 /nfs/dbraw/zinc/60/15/00/1317601500.db2.gz OUGPZZWDAMSGTR-STQMWFEESA-N 1 2 349.431 3.097 20 5 EGBDLO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809954150 1317922607 /nfs/dbraw/zinc/92/26/07/1317922607.db2.gz VTRFGOXIMFZWEP-CQSZACIVSA-N 1 2 347.198 3.287 20 5 EGBDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809954150 1317922613 /nfs/dbraw/zinc/92/26/13/1317922613.db2.gz VTRFGOXIMFZWEP-CQSZACIVSA-N 1 2 347.198 3.287 20 5 EGBDLO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809966060 1317926200 /nfs/dbraw/zinc/92/62/00/1317926200.db2.gz VGNPLLVAVGNLSU-ZJUUUORDSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809966060 1317926203 /nfs/dbraw/zinc/92/62/03/1317926203.db2.gz VGNPLLVAVGNLSU-ZJUUUORDSA-N 1 2 333.215 3.494 20 5 EGBDLO O=C(O[C@H]1CCCC[C@@H]1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000811052648 1318097829 /nfs/dbraw/zinc/09/78/29/1318097829.db2.gz YCYBQMLOOVJJOW-WFASDCNBSA-N 1 2 333.319 3.218 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000817239976 1319298335 /nfs/dbraw/zinc/29/83/35/1319298335.db2.gz ZCYKWAYAOIHVOE-UHFFFAOYSA-N 1 2 329.356 3.030 20 5 EGBDLO COc1cccc(C[N@H+](C)CC[N+](=O)[O-])c1OCc1ccccc1F ZINC000930351003 1328839337 /nfs/dbraw/zinc/83/93/37/1328839337.db2.gz LVMHTRCSEZIAOJ-UHFFFAOYSA-N 1 2 348.374 3.122 20 5 EGBDLO COc1cccc(C[N@@H+](C)CC[N+](=O)[O-])c1OCc1ccccc1F ZINC000930351003 1328839344 /nfs/dbraw/zinc/83/93/44/1328839344.db2.gz LVMHTRCSEZIAOJ-UHFFFAOYSA-N 1 2 348.374 3.122 20 5 EGBDLO Cc1nn(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000842647040 1321413233 /nfs/dbraw/zinc/41/32/33/1321413233.db2.gz XLBBYRMCMCYLBW-CYBMUJFWSA-N 1 2 344.415 3.244 20 5 EGBDLO Cc1nn(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000842647040 1321413235 /nfs/dbraw/zinc/41/32/35/1321413235.db2.gz XLBBYRMCMCYLBW-CYBMUJFWSA-N 1 2 344.415 3.244 20 5 EGBDLO O=C(C[N@@H+]1CCCC(F)(F)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859536347 1329011937 /nfs/dbraw/zinc/01/19/37/1329011937.db2.gz YFBAKJHUGMGYKN-UHFFFAOYSA-N 1 2 347.749 3.308 20 5 EGBDLO O=C(C[N@H+]1CCCC(F)(F)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859536347 1329011944 /nfs/dbraw/zinc/01/19/44/1329011944.db2.gz YFBAKJHUGMGYKN-UHFFFAOYSA-N 1 2 347.749 3.308 20 5 EGBDLO Cc1noc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)c1[N+](=O)[O-] ZINC000851797242 1323090222 /nfs/dbraw/zinc/09/02/22/1323090222.db2.gz IWOQVCBUGLWKED-CQSZACIVSA-N 1 2 344.415 3.219 20 5 EGBDLO Cc1noc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C[C@H]2C)c1[N+](=O)[O-] ZINC000851797242 1323090229 /nfs/dbraw/zinc/09/02/29/1323090229.db2.gz IWOQVCBUGLWKED-CQSZACIVSA-N 1 2 344.415 3.219 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927108203 1327869896 /nfs/dbraw/zinc/86/98/96/1327869896.db2.gz PMAMNDGQWBUZLV-NSHDSACASA-N 1 2 330.388 3.065 20 5 EGBDLO Cc1cccc(-c2nnc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)o2)n1 ZINC001323076288 1387283648 /nfs/dbraw/zinc/28/36/48/1387283648.db2.gz FWVVSCYNCWFXQZ-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO O=[N+]([O-])c1cc(O)cc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001199802445 1369275044 /nfs/dbraw/zinc/27/50/44/1369275044.db2.gz PGMRDNMZZVMCRN-UHFFFAOYSA-N 1 2 349.144 3.454 20 5 EGBDLO O=[N+]([O-])c1cccc2ncnc(NCc3c[nH+]cn3CC3CCC3)c21 ZINC001161535504 1382434117 /nfs/dbraw/zinc/43/41/17/1382434117.db2.gz CIZDIYHEIWIMPT-UHFFFAOYSA-N 1 2 338.371 3.147 20 5 EGBDLO CSc1nc(Cl)c([N+](=O)[O-])c(NCc2c[nH+]cn2C(C)C)n1 ZINC001161563086 1382440421 /nfs/dbraw/zinc/44/04/21/1382440421.db2.gz MTHXZLNCHJBPMG-UHFFFAOYSA-N 1 2 342.812 3.150 20 5 EGBDLO CC(C)n1c[nH+]cc1CNC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001161562782 1382440424 /nfs/dbraw/zinc/44/04/24/1382440424.db2.gz FQNWERQTTXSRHH-UHFFFAOYSA-N 1 2 345.737 3.260 20 5 EGBDLO COc1ccc(C[C@@H](C)[NH+]2CC(Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170345038 1384296006 /nfs/dbraw/zinc/29/60/06/1384296006.db2.gz GVLNINOUNAEHJM-CQSZACIVSA-N 1 2 342.395 3.298 20 5 EGBDLO CCc1cc(NC[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053548257 214188156 /nfs/dbraw/zinc/18/81/56/214188156.db2.gz AJNMYUXMXZASGB-HNNXBMFYSA-N 1 2 328.372 3.205 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000072835274 216314200 /nfs/dbraw/zinc/31/42/00/216314200.db2.gz SLNPTYHZAJHQOU-KRWDZBQOSA-N 1 2 342.399 3.017 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000072835274 216314201 /nfs/dbraw/zinc/31/42/01/216314201.db2.gz SLNPTYHZAJHQOU-KRWDZBQOSA-N 1 2 342.399 3.017 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000194006494 240397614 /nfs/dbraw/zinc/39/76/14/240397614.db2.gz YYMFINUFVOIBFG-UHFFFAOYSA-N 1 2 335.360 3.038 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000194006494 240397618 /nfs/dbraw/zinc/39/76/18/240397618.db2.gz YYMFINUFVOIBFG-UHFFFAOYSA-N 1 2 335.360 3.038 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065623491 296426637 /nfs/dbraw/zinc/42/66/37/296426637.db2.gz VUNSGGCUENPRTA-CHWSQXEVSA-N 1 2 328.372 3.184 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000338378551 141112550 /nfs/dbraw/zinc/11/25/50/141112550.db2.gz VEYBHTCKLKJROV-HNNXBMFYSA-N 1 2 338.770 3.015 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)c1 ZINC000338378551 141112552 /nfs/dbraw/zinc/11/25/52/141112552.db2.gz VEYBHTCKLKJROV-HNNXBMFYSA-N 1 2 338.770 3.015 20 5 EGBDLO CCc1ccc([C@H]([NH2+]Cc2cnn(C)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346472964 141202038 /nfs/dbraw/zinc/20/20/38/141202038.db2.gz YPUHACULJUSSKP-GOSISDBHSA-N 1 2 340.383 3.363 20 5 EGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000347979297 141227707 /nfs/dbraw/zinc/22/77/07/141227707.db2.gz FMLYQBBRWPPRIV-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1c(Cl)cccc1Cl ZINC000350731660 141263686 /nfs/dbraw/zinc/26/36/86/141263686.db2.gz CXXNQLVNOGHFRJ-UHFFFAOYSA-N 1 2 329.187 3.230 20 5 EGBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1c(Cl)cccc1Cl ZINC000350731660 141263687 /nfs/dbraw/zinc/26/36/87/141263687.db2.gz CXXNQLVNOGHFRJ-UHFFFAOYSA-N 1 2 329.187 3.230 20 5 EGBDLO O=[N+]([O-])c1ccc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)cc1 ZINC000351024519 141269989 /nfs/dbraw/zinc/26/99/89/141269989.db2.gz DICXZAKEFNURLJ-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO CSc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000193052177 153274658 /nfs/dbraw/zinc/27/46/58/153274658.db2.gz JLJQXHKUTWQPNI-UHFFFAOYSA-N 1 2 332.385 3.030 20 5 EGBDLO COc1ccc(CSCC(=O)Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000112298664 162171054 /nfs/dbraw/zinc/17/10/54/162171054.db2.gz ZAJKMLBEORQPRT-UHFFFAOYSA-N 1 2 347.396 3.179 20 5 EGBDLO Cc1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)on1 ZINC000113336214 162209197 /nfs/dbraw/zinc/20/91/97/162209197.db2.gz BFJYSCVSFIFENG-UHFFFAOYSA-N 1 2 330.369 3.305 20 5 EGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000344166328 164117939 /nfs/dbraw/zinc/11/79/39/164117939.db2.gz RRSGGGKPQMDFCC-UHFFFAOYSA-N 1 2 340.314 3.231 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1 ZINC000346233364 164361005 /nfs/dbraw/zinc/36/10/05/164361005.db2.gz JRWGPHOPKPFZTH-UHFFFAOYSA-N 1 2 348.428 3.114 20 5 EGBDLO C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000352178286 165269304 /nfs/dbraw/zinc/26/93/04/165269304.db2.gz LLHITIZAUKOCMJ-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000352178286 165269308 /nfs/dbraw/zinc/26/93/08/165269308.db2.gz LLHITIZAUKOCMJ-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000352407544 165385709 /nfs/dbraw/zinc/38/57/09/165385709.db2.gz VGGPBVPHYCRMFP-AWEZNQCLSA-N 1 2 346.456 3.239 20 5 EGBDLO Cc1cc(Nc2ncc([N+](=O)[O-])cn2)c[nH+]c1N1CCCC[C@H]1C ZINC000274006235 267163496 /nfs/dbraw/zinc/16/34/96/267163496.db2.gz UJJFEOFCWVTHAF-GFCCVEGCSA-N 1 2 328.376 3.211 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000279467121 275333289 /nfs/dbraw/zinc/33/32/89/275333289.db2.gz MOBWHVVCQLNPBC-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373494345 276053315 /nfs/dbraw/zinc/05/33/15/276053315.db2.gz KJDOKJYZPFKERI-KBXCAEBGSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373494345 276053317 /nfs/dbraw/zinc/05/33/17/276053317.db2.gz KJDOKJYZPFKERI-KBXCAEBGSA-N 1 2 334.416 3.098 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000288371462 276207204 /nfs/dbraw/zinc/20/72/04/276207204.db2.gz FBHFASGXJNDZFT-UHFFFAOYSA-N 1 2 331.372 3.150 20 5 EGBDLO CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187458937 276529290 /nfs/dbraw/zinc/52/92/90/276529290.db2.gz ROBMVJYYAJSHAC-TZMCWYRMSA-N 1 2 328.372 3.041 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000067386846 307365419 /nfs/dbraw/zinc/36/54/19/307365419.db2.gz XQSDGGQJFLTACI-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000067386846 307365421 /nfs/dbraw/zinc/36/54/21/307365421.db2.gz XQSDGGQJFLTACI-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO CC[C@](C)([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000072684672 307381447 /nfs/dbraw/zinc/38/14/47/307381447.db2.gz AZCWCGRLCRYKGQ-INIZCTEOSA-N 1 2 348.428 3.213 20 5 EGBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCc1ccccc1-n1cc[nH+]c1 ZINC000255781095 308060205 /nfs/dbraw/zinc/06/02/05/308060205.db2.gz ZRPWVLVENZDMLJ-KTKRTIGZSA-N 1 2 348.362 3.110 20 5 EGBDLO CCC[C@@H](OC)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000295783591 308359376 /nfs/dbraw/zinc/35/93/76/308359376.db2.gz ABGZOXUGHNPKHH-CQSZACIVSA-N 1 2 343.343 3.318 20 5 EGBDLO Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@H]23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302573500 308739999 /nfs/dbraw/zinc/73/99/99/308739999.db2.gz RAXRPKZLZKJQCX-OAGGEKHMSA-N 1 2 340.383 3.340 20 5 EGBDLO CC(=O)NC1CCC(N(C)c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413233987 309022886 /nfs/dbraw/zinc/02/28/86/309022886.db2.gz ONRLZWSFYNDQBM-UHFFFAOYSA-N 1 2 342.399 3.027 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOCC(F)(F)C(F)F)c2c1 ZINC000413257232 309023941 /nfs/dbraw/zinc/02/39/41/309023941.db2.gz CMAUSCLATHJHQH-UHFFFAOYSA-N 1 2 347.268 3.472 20 5 EGBDLO CC[C@H]1C[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](CC)O1 ZINC000420965199 309304816 /nfs/dbraw/zinc/30/48/16/309304816.db2.gz XUAVXNMRGQSNAT-GJZGRUSLSA-N 1 2 346.387 3.034 20 5 EGBDLO Cc1cnc(C(C)(C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000444669111 309925013 /nfs/dbraw/zinc/92/50/13/309925013.db2.gz DKKNQRVUWAMXTP-UHFFFAOYSA-N 1 2 331.401 3.261 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000448636177 310009966 /nfs/dbraw/zinc/00/99/66/310009966.db2.gz YAFMBMVWCACVEY-UHFFFAOYSA-N 1 2 328.372 3.185 20 5 EGBDLO C[C@H]1CCC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448903789 310023275 /nfs/dbraw/zinc/02/32/75/310023275.db2.gz JSMKVZJSVXIKSJ-STQMWFEESA-N 1 2 328.372 3.184 20 5 EGBDLO CC1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448966526 310026219 /nfs/dbraw/zinc/02/62/19/310026219.db2.gz LQFWZERWGOTGBX-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2nccn21 ZINC000449572333 310073082 /nfs/dbraw/zinc/07/30/82/310073082.db2.gz MWVXVVTUFOQFCM-CABZTGNLSA-N 1 2 338.314 3.188 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000449949930 310095646 /nfs/dbraw/zinc/09/56/46/310095646.db2.gz DJRPYIXLMGOOTI-ZFWWWQNUSA-N 1 2 340.383 3.185 20 5 EGBDLO CC1(C)CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450353054 310117348 /nfs/dbraw/zinc/11/73/48/310117348.db2.gz DBOVYRSHRIPZBU-ZDUSSCGKSA-N 1 2 328.372 3.089 20 5 EGBDLO CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450380972 310119260 /nfs/dbraw/zinc/11/92/60/310119260.db2.gz TVXWFQOZSORVMF-OCCSQVGLSA-N 1 2 328.372 3.184 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000450833761 310144841 /nfs/dbraw/zinc/14/48/41/310144841.db2.gz TXJGWPZHTFADDQ-QMMMGPOBSA-N 1 2 340.181 3.142 20 5 EGBDLO CO[C@H]([C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000450862369 310146494 /nfs/dbraw/zinc/14/64/94/310146494.db2.gz QSUASKUVSQPKEH-YVEFUNNKSA-N 1 2 342.399 3.008 20 5 EGBDLO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548824 310185195 /nfs/dbraw/zinc/18/51/95/310185195.db2.gz OOJHVESWVIFNIL-MRXNPFEDSA-N 1 2 343.431 3.222 20 5 EGBDLO CC(C)Cn1ncnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548824 310185196 /nfs/dbraw/zinc/18/51/96/310185196.db2.gz OOJHVESWVIFNIL-MRXNPFEDSA-N 1 2 343.431 3.222 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3noc(C4CC4)n3)C2)cc1 ZINC000451554212 310186059 /nfs/dbraw/zinc/18/60/59/310186059.db2.gz ZPJSWEYCCWHYHU-CQSZACIVSA-N 1 2 328.372 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3noc(C4CC4)n3)C2)cc1 ZINC000451554212 310186060 /nfs/dbraw/zinc/18/60/60/310186060.db2.gz ZPJSWEYCCWHYHU-CQSZACIVSA-N 1 2 328.372 3.235 20 5 EGBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C1CC1 ZINC000451848130 310200109 /nfs/dbraw/zinc/20/01/09/310200109.db2.gz JPECFFQHBHPEHU-INIZCTEOSA-N 1 2 340.383 3.041 20 5 EGBDLO Cn1cc(Cl)c(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000453325833 310271160 /nfs/dbraw/zinc/27/11/60/310271160.db2.gz UOYVRWLHWAIPAR-AWEZNQCLSA-N 1 2 334.807 3.494 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000454607707 310319769 /nfs/dbraw/zinc/31/97/69/310319769.db2.gz KOKSAYKCPYOCDN-QWHCGFSZSA-N 1 2 345.403 3.241 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455366879 310357727 /nfs/dbraw/zinc/35/77/27/310357727.db2.gz YGBQECZTWURMDR-MFKMUULPSA-N 1 2 345.359 3.018 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456348796 310400320 /nfs/dbraw/zinc/40/03/20/310400320.db2.gz INNISVRWEGLTSA-DZGCQCFKSA-N 1 2 344.415 3.257 20 5 EGBDLO Cc1cc(NC[C@@H](C)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000475743666 310816859 /nfs/dbraw/zinc/81/68/59/310816859.db2.gz JOYZBJOQHQILPQ-SECBINFHSA-N 1 2 340.305 3.392 20 5 EGBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000491417426 311178233 /nfs/dbraw/zinc/17/82/33/311178233.db2.gz NDMWEEDHUBSXJM-BRLPQQTGSA-N 1 2 344.346 3.224 20 5 EGBDLO CCn1cc[nH+]c1/C=C\C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000492405132 311246553 /nfs/dbraw/zinc/24/65/53/311246553.db2.gz BLRAUNGISPZMBC-KTKRTIGZSA-N 1 2 342.399 3.262 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000493046444 311320958 /nfs/dbraw/zinc/32/09/58/311320958.db2.gz DJFCXCRENCCSNZ-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000493046444 311320960 /nfs/dbraw/zinc/32/09/60/311320960.db2.gz DJFCXCRENCCSNZ-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000507169224 312061407 /nfs/dbraw/zinc/06/14/07/312061407.db2.gz USBDDPHMSLHWDC-UHFFFAOYSA-N 1 2 336.395 3.472 20 5 EGBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000513152101 312202897 /nfs/dbraw/zinc/20/28/97/312202897.db2.gz CJPOFEGTGBEEHJ-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000513152101 312202899 /nfs/dbraw/zinc/20/28/99/312202899.db2.gz CJPOFEGTGBEEHJ-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c[nH+]1 ZINC000535060837 314021452 /nfs/dbraw/zinc/02/14/52/314021452.db2.gz QAKNYKJFBFXCAX-UHFFFAOYSA-N 1 2 342.399 3.471 20 5 EGBDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000536637977 314133687 /nfs/dbraw/zinc/13/36/87/314133687.db2.gz BSAIBRPADGQFIV-BBRMVZONSA-N 1 2 342.399 3.028 20 5 EGBDLO Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1Oc1cc[nH+]cc1 ZINC000555319401 315379052 /nfs/dbraw/zinc/37/90/52/315379052.db2.gz QFJBUNCPRKRCBD-UHFFFAOYSA-N 1 2 339.311 3.066 20 5 EGBDLO Cc1[nH+]c2cc(CNc3cc(C)c([N+](=O)[O-])cn3)ccc2n1C1CC1 ZINC000563423601 316019218 /nfs/dbraw/zinc/01/92/18/316019218.db2.gz GZOJGORJMDGYNT-UHFFFAOYSA-N 1 2 337.383 3.325 20 5 EGBDLO C[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000563581805 316041001 /nfs/dbraw/zinc/04/10/01/316041001.db2.gz NQUCPJVVDRRZSK-GRDNDAEWSA-N 1 2 342.399 3.005 20 5 EGBDLO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000183930167 323635126 /nfs/dbraw/zinc/63/51/26/323635126.db2.gz NZNDKZATQFQRSL-LLVKDONJSA-N 1 2 348.428 3.212 20 5 EGBDLO CCC[C@H](OC)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351137772 324178785 /nfs/dbraw/zinc/17/87/85/324178785.db2.gz VUFJQJFNVFRLQI-AWEZNQCLSA-N 1 2 343.343 3.318 20 5 EGBDLO COC(=O)CCC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000576126723 324554005 /nfs/dbraw/zinc/55/40/05/324554005.db2.gz FKGMJDMBNOSSEK-UHFFFAOYSA-N 1 2 343.383 3.313 20 5 EGBDLO CC(C)Oc1nc(N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000581677475 325382394 /nfs/dbraw/zinc/38/23/94/325382394.db2.gz BUQZVHPZEBGPMU-LBPRGKRZSA-N 1 2 331.376 3.232 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591663 453613644 /nfs/dbraw/zinc/61/36/44/453613644.db2.gz XEQADJJEBXRWQY-NSHDSACASA-N 1 2 345.321 3.116 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591663 453613649 /nfs/dbraw/zinc/61/36/49/453613649.db2.gz XEQADJJEBXRWQY-NSHDSACASA-N 1 2 345.321 3.116 20 5 EGBDLO Cc1cc(NC2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389459 453927283 /nfs/dbraw/zinc/92/72/83/453927283.db2.gz QBWJZKYNBPCSKM-UHFFFAOYSA-N 1 2 328.372 3.076 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000054389952 453928208 /nfs/dbraw/zinc/92/82/08/453928208.db2.gz QSADOMKXJSNKHU-UHFFFAOYSA-N 1 2 325.368 3.112 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000054389952 453928211 /nfs/dbraw/zinc/92/82/11/453928211.db2.gz QSADOMKXJSNKHU-UHFFFAOYSA-N 1 2 325.368 3.112 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn2cccc(C)c2n1 ZINC000076894803 454046593 /nfs/dbraw/zinc/04/65/93/454046593.db2.gz JQRHFMKIRWLTAE-UHFFFAOYSA-N 1 2 340.383 3.239 20 5 EGBDLO CN(C(=O)C[N@H+](Cc1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000044898212 454124936 /nfs/dbraw/zinc/12/49/36/454124936.db2.gz OWHDFBIWQUALPH-UHFFFAOYSA-N 1 2 345.424 3.284 20 5 EGBDLO CN(C(=O)C[N@@H+](Cc1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000044898212 454124939 /nfs/dbraw/zinc/12/49/39/454124939.db2.gz OWHDFBIWQUALPH-UHFFFAOYSA-N 1 2 345.424 3.284 20 5 EGBDLO Cc1c(CN(C)Cc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000057845447 454151947 /nfs/dbraw/zinc/15/19/47/454151947.db2.gz KCVHCRINKPKOFB-UHFFFAOYSA-N 1 2 342.321 3.294 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc[nH+]c2N(C)C)c1 ZINC000078879824 454331355 /nfs/dbraw/zinc/33/13/55/454331355.db2.gz ROGPKSMOCCDUGT-UHFFFAOYSA-N 1 2 332.385 3.030 20 5 EGBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccccc1-n1cc[nH+]c1 ZINC000091212095 454410266 /nfs/dbraw/zinc/41/02/66/454410266.db2.gz ZRPWVLVENZDMLJ-MDZDMXLPSA-N 1 2 348.362 3.110 20 5 EGBDLO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(F)F ZINC000133321443 454412174 /nfs/dbraw/zinc/41/21/74/454412174.db2.gz ZSLJVCLCDKULME-UHFFFAOYSA-N 1 2 329.347 3.209 20 5 EGBDLO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(F)F ZINC000133321443 454412179 /nfs/dbraw/zinc/41/21/79/454412179.db2.gz ZSLJVCLCDKULME-UHFFFAOYSA-N 1 2 329.347 3.209 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000121561795 454452282 /nfs/dbraw/zinc/45/22/82/454452282.db2.gz JQMVQXDMBDLWIM-UHFFFAOYSA-N 1 2 340.383 3.459 20 5 EGBDLO COC(=O)c1ccoc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350073 454475241 /nfs/dbraw/zinc/47/52/41/454475241.db2.gz ZCLZDAWXVBGNPF-UHFFFAOYSA-N 1 2 332.356 3.385 20 5 EGBDLO COC(=O)c1ccoc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350073 454475245 /nfs/dbraw/zinc/47/52/45/454475245.db2.gz ZCLZDAWXVBGNPF-UHFFFAOYSA-N 1 2 332.356 3.385 20 5 EGBDLO COC(=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000135240060 454651042 /nfs/dbraw/zinc/65/10/42/454651042.db2.gz BJNMTRNKMZKZLC-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000135240060 454651046 /nfs/dbraw/zinc/65/10/46/454651046.db2.gz BJNMTRNKMZKZLC-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092971815 454661801 /nfs/dbraw/zinc/66/18/01/454661801.db2.gz PSCBXZRWRTUWTN-ZWNOBZJWSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092971815 454661807 /nfs/dbraw/zinc/66/18/07/454661807.db2.gz PSCBXZRWRTUWTN-ZWNOBZJWSA-N 1 2 343.221 3.093 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000152654908 454707178 /nfs/dbraw/zinc/70/71/78/454707178.db2.gz ADSZCWPDDXGMAB-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000150780201 454891535 /nfs/dbraw/zinc/89/15/35/454891535.db2.gz IVOVQEBODNCZRL-KGLIPLIRSA-N 1 2 342.399 3.431 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)c1ccco1 ZINC000185110924 455503164 /nfs/dbraw/zinc/50/31/64/455503164.db2.gz ACABGLUAGLTQAD-OAHLLOKOSA-N 1 2 334.372 3.188 20 5 EGBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccco1 ZINC000184576335 455407170 /nfs/dbraw/zinc/40/71/70/455407170.db2.gz JPGLDESEXSLKBU-HNNXBMFYSA-N 1 2 334.372 3.452 20 5 EGBDLO Cc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000266986171 455488310 /nfs/dbraw/zinc/48/83/10/455488310.db2.gz VVAMFDRBNGNMNR-UHFFFAOYSA-N 1 2 329.360 3.038 20 5 EGBDLO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000185743559 455612499 /nfs/dbraw/zinc/61/24/99/455612499.db2.gz KZKCENMIVGUVCH-UHFFFAOYSA-N 1 2 349.431 3.075 20 5 EGBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000292281584 455618100 /nfs/dbraw/zinc/61/81/00/455618100.db2.gz UTYPMNSJTYCUAA-INIZCTEOSA-N 1 2 329.404 3.167 20 5 EGBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285440155 455846238 /nfs/dbraw/zinc/84/62/38/455846238.db2.gz IBSQBBBOZKQHDY-UHFFFAOYSA-N 1 2 347.371 3.091 20 5 EGBDLO Cc1cccc(CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[nH+]1 ZINC000280218632 455919847 /nfs/dbraw/zinc/91/98/47/455919847.db2.gz HANBEBSPVQEPFN-UHFFFAOYSA-N 1 2 342.399 3.091 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000296433040 455937508 /nfs/dbraw/zinc/93/75/08/455937508.db2.gz YFIPEGDPVGGMDN-CYBMUJFWSA-N 1 2 348.790 3.205 20 5 EGBDLO Cn1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000612692092 460702067 /nfs/dbraw/zinc/70/20/67/460702067.db2.gz QAQJWNBXNRZMTJ-UHFFFAOYSA-N 1 2 330.775 3.425 20 5 EGBDLO Cc1cc(N[C@H](CCO)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301369003 456100087 /nfs/dbraw/zinc/10/00/87/456100087.db2.gz ROKNMAKXGWDZOV-OAHLLOKOSA-N 1 2 330.388 3.179 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000297647577 456270153 /nfs/dbraw/zinc/27/01/53/456270153.db2.gz DTTVZGDEZKZRSX-UHFFFAOYSA-N 1 2 341.358 3.073 20 5 EGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(CC)s2)cc1[N+](=O)[O-] ZINC000290244315 456273889 /nfs/dbraw/zinc/27/38/89/456273889.db2.gz SVDBKNMSSRDZOR-JTQLQIEISA-N 1 2 336.417 3.258 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000342867474 456282781 /nfs/dbraw/zinc/28/27/81/456282781.db2.gz BVJWYOHZTQFREU-NWDGAFQWSA-N 1 2 331.338 3.224 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000342867474 456282784 /nfs/dbraw/zinc/28/27/84/456282784.db2.gz BVJWYOHZTQFREU-NWDGAFQWSA-N 1 2 331.338 3.224 20 5 EGBDLO C[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000297797874 456296956 /nfs/dbraw/zinc/29/69/56/456296956.db2.gz XVKXPUVHOZGHGL-WFASDCNBSA-N 1 2 343.387 3.316 20 5 EGBDLO C[C@@H]1C[N@H+](CCSc2nc3ccc([N+](=O)[O-])cc3s2)CCO1 ZINC000298536877 456483800 /nfs/dbraw/zinc/48/38/00/456483800.db2.gz XPRGVNRDIBYCAU-SNVBAGLBSA-N 1 2 339.442 3.017 20 5 EGBDLO C[C@@H]1C[N@@H+](CCSc2nc3ccc([N+](=O)[O-])cc3s2)CCO1 ZINC000298536877 456483804 /nfs/dbraw/zinc/48/38/04/456483804.db2.gz XPRGVNRDIBYCAU-SNVBAGLBSA-N 1 2 339.442 3.017 20 5 EGBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2[nH+]1 ZINC000340572563 456538487 /nfs/dbraw/zinc/53/84/87/456538487.db2.gz SCYOCJAWYWWMMW-UHFFFAOYSA-N 1 2 327.344 3.349 20 5 EGBDLO CC(C)[N@H+](Cc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299409271 456682824 /nfs/dbraw/zinc/68/28/24/456682824.db2.gz ZAKMOFAJUNRLDY-UHFFFAOYSA-N 1 2 345.374 3.243 20 5 EGBDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299409271 456682828 /nfs/dbraw/zinc/68/28/28/456682828.db2.gz ZAKMOFAJUNRLDY-UHFFFAOYSA-N 1 2 345.374 3.243 20 5 EGBDLO C[N@H+](CCC(F)(F)F)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000338256187 456734370 /nfs/dbraw/zinc/73/43/70/456734370.db2.gz CHJGSWRENJLHFJ-UHFFFAOYSA-N 1 2 330.266 3.029 20 5 EGBDLO C[N@@H+](CCC(F)(F)F)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000338256187 456734375 /nfs/dbraw/zinc/73/43/75/456734375.db2.gz CHJGSWRENJLHFJ-UHFFFAOYSA-N 1 2 330.266 3.029 20 5 EGBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000338637283 456847671 /nfs/dbraw/zinc/84/76/71/456847671.db2.gz SFIUROYPJDKTNJ-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1ccc2c(c1)OCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000338637283 456847675 /nfs/dbraw/zinc/84/76/75/456847675.db2.gz SFIUROYPJDKTNJ-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO O=C(C[N@@H+]1CCC=C(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000341988445 457044857 /nfs/dbraw/zinc/04/48/57/457044857.db2.gz JWLDPJFJGRIVBC-UHFFFAOYSA-N 1 2 337.379 3.323 20 5 EGBDLO O=C(C[N@H+]1CCC=C(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000341988445 457044862 /nfs/dbraw/zinc/04/48/62/457044862.db2.gz JWLDPJFJGRIVBC-UHFFFAOYSA-N 1 2 337.379 3.323 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccs2)CC1 ZINC000354112573 457071060 /nfs/dbraw/zinc/07/10/60/457071060.db2.gz ZGCMRXQILTWJAY-UHFFFAOYSA-N 1 2 347.440 3.377 20 5 EGBDLO CCCOc1cccc2c(NCCn3cc([N+](=O)[O-])cn3)cc[nH+]c12 ZINC000354165241 457102680 /nfs/dbraw/zinc/10/26/80/457102680.db2.gz SSKGLUQEOZCLAQ-UHFFFAOYSA-N 1 2 341.371 3.240 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000339608073 457170865 /nfs/dbraw/zinc/17/08/65/457170865.db2.gz RLUMFLFKDJECEM-LJQANCHMSA-N 1 2 348.406 3.476 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000339608073 457170871 /nfs/dbraw/zinc/17/08/71/457170871.db2.gz RLUMFLFKDJECEM-LJQANCHMSA-N 1 2 348.406 3.476 20 5 EGBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331983805 457283914 /nfs/dbraw/zinc/28/39/14/457283914.db2.gz LOSYCQXGXPMKRV-LYRGGWFBSA-N 1 2 336.363 3.040 20 5 EGBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331983805 457283918 /nfs/dbraw/zinc/28/39/18/457283918.db2.gz LOSYCQXGXPMKRV-LYRGGWFBSA-N 1 2 336.363 3.040 20 5 EGBDLO C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342511000 457342724 /nfs/dbraw/zinc/34/27/24/457342724.db2.gz VWPUYUGOQRFZBS-KBXCAEBGSA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342511000 457342734 /nfs/dbraw/zinc/34/27/34/457342734.db2.gz VWPUYUGOQRFZBS-KBXCAEBGSA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@H]1SCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccccc1 ZINC000370055810 457519739 /nfs/dbraw/zinc/51/97/39/457519739.db2.gz NEISFICYOIBRAG-IUODEOHRSA-N 1 2 332.429 3.007 20 5 EGBDLO C[C@H]1SCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccccc1 ZINC000370055810 457519746 /nfs/dbraw/zinc/51/97/46/457519746.db2.gz NEISFICYOIBRAG-IUODEOHRSA-N 1 2 332.429 3.007 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425375524 457526286 /nfs/dbraw/zinc/52/62/86/457526286.db2.gz UXURQNAXYYZHAY-QGZVFWFLSA-N 1 2 332.400 3.082 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425375524 457526290 /nfs/dbraw/zinc/52/62/90/457526290.db2.gz UXURQNAXYYZHAY-QGZVFWFLSA-N 1 2 332.400 3.082 20 5 EGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c[nH+]c1N1CCCC[C@H]1C ZINC000357443496 457530797 /nfs/dbraw/zinc/53/07/97/457530797.db2.gz NLTDWPHZPZDFHT-GFCCVEGCSA-N 1 2 343.387 3.257 20 5 EGBDLO CO[C@]1(C)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425476703 457569388 /nfs/dbraw/zinc/56/93/88/457569388.db2.gz LROVBPBEDJWTBI-CQSZACIVSA-N 1 2 343.221 3.358 20 5 EGBDLO CO[C@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425476703 457569394 /nfs/dbraw/zinc/56/93/94/457569394.db2.gz LROVBPBEDJWTBI-CQSZACIVSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361492147 457752017 /nfs/dbraw/zinc/75/20/17/457752017.db2.gz DTIOWTHAINFHTN-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361492147 457752022 /nfs/dbraw/zinc/75/20/22/457752022.db2.gz DTIOWTHAINFHTN-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO CCOc1cc(NC[C@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000443888215 457819716 /nfs/dbraw/zinc/81/97/16/457819716.db2.gz YOCAYDWPDNRSDL-CYBMUJFWSA-N 1 2 330.388 3.488 20 5 EGBDLO O=[N+]([O-])c1ccc(CCCCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000433758836 457880067 /nfs/dbraw/zinc/88/00/67/457880067.db2.gz TYFJGQSYPBVCIW-UHFFFAOYSA-N 1 2 341.415 3.420 20 5 EGBDLO O=[N+]([O-])c1ccc(CCCCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000433758836 457880073 /nfs/dbraw/zinc/88/00/73/457880073.db2.gz TYFJGQSYPBVCIW-UHFFFAOYSA-N 1 2 341.415 3.420 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000369346972 458182130 /nfs/dbraw/zinc/18/21/30/458182130.db2.gz DMELKTYVIIIQLR-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411700 458485620 /nfs/dbraw/zinc/48/56/20/458485620.db2.gz GVFUKMKDXXEPCS-GUYCJALGSA-N 1 2 340.383 3.011 20 5 EGBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411700 458485625 /nfs/dbraw/zinc/48/56/25/458485625.db2.gz GVFUKMKDXXEPCS-GUYCJALGSA-N 1 2 340.383 3.011 20 5 EGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000373700477 458576835 /nfs/dbraw/zinc/57/68/35/458576835.db2.gz ZQCWINIDISVTHA-UHFFFAOYSA-N 1 2 337.339 3.128 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2ccco2)CC1 ZINC000470175698 458621457 /nfs/dbraw/zinc/62/14/57/458621457.db2.gz FIGNTMWLFUMGJE-FOWTUZBSSA-N 1 2 341.411 3.409 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2ccco2)CC1 ZINC000470175698 458621461 /nfs/dbraw/zinc/62/14/61/458621461.db2.gz FIGNTMWLFUMGJE-FOWTUZBSSA-N 1 2 341.411 3.409 20 5 EGBDLO CCOC(=O)[C@H](CC)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000470263825 458626399 /nfs/dbraw/zinc/62/63/99/458626399.db2.gz ODSXJZZBFNTPSC-GQSKFBFOSA-N 1 2 332.400 3.414 20 5 EGBDLO CCOC(=O)[C@H](CC)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000470263825 458626406 /nfs/dbraw/zinc/62/64/06/458626406.db2.gz ODSXJZZBFNTPSC-GQSKFBFOSA-N 1 2 332.400 3.414 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457320331 458920541 /nfs/dbraw/zinc/92/05/41/458920541.db2.gz ZWFYFSFDJXUFRR-UHFFFAOYSA-N 1 2 348.428 3.290 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475067 458943903 /nfs/dbraw/zinc/94/39/03/458943903.db2.gz JRZFGDUDAPLHFL-GJZGRUSLSA-N 1 2 341.415 3.422 20 5 EGBDLO CNc1ccc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000520618341 459079752 /nfs/dbraw/zinc/07/97/52/459079752.db2.gz QHGLAXHXFJPADB-UHFFFAOYSA-N 1 2 337.339 3.279 20 5 EGBDLO CCn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cn1 ZINC000522245511 459230156 /nfs/dbraw/zinc/23/01/56/459230156.db2.gz LRTIYJDFYLZXID-UHFFFAOYSA-N 1 2 332.404 3.230 20 5 EGBDLO CCn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cn1 ZINC000522245511 459230161 /nfs/dbraw/zinc/23/01/61/459230161.db2.gz LRTIYJDFYLZXID-UHFFFAOYSA-N 1 2 332.404 3.230 20 5 EGBDLO Cc1noc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000595289235 459268257 /nfs/dbraw/zinc/26/82/57/459268257.db2.gz OAUFTDCLSBLTCM-UHFFFAOYSA-N 1 2 327.287 3.125 20 5 EGBDLO Cc1noc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000595289235 459268262 /nfs/dbraw/zinc/26/82/62/459268262.db2.gz OAUFTDCLSBLTCM-UHFFFAOYSA-N 1 2 327.287 3.125 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc(OC)c1 ZINC000595295727 459268938 /nfs/dbraw/zinc/26/89/38/459268938.db2.gz QPXSCPOYXVBDQN-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc(OC)c1 ZINC000595295727 459268947 /nfs/dbraw/zinc/26/89/47/459268947.db2.gz QPXSCPOYXVBDQN-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595306563 459273184 /nfs/dbraw/zinc/27/31/84/459273184.db2.gz OPQGKQHNYCPITQ-UHFFFAOYSA-N 1 2 338.379 3.288 20 5 EGBDLO Cc1noc(C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595320054 459275517 /nfs/dbraw/zinc/27/55/17/459275517.db2.gz AJFXNIOVIQODMS-AWEZNQCLSA-N 1 2 333.413 3.490 20 5 EGBDLO Cc1noc(C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595320054 459275523 /nfs/dbraw/zinc/27/55/23/459275523.db2.gz AJFXNIOVIQODMS-AWEZNQCLSA-N 1 2 333.413 3.490 20 5 EGBDLO Cc1noc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595329340 459278441 /nfs/dbraw/zinc/27/84/41/459278441.db2.gz QQBZWCKWKDJDPQ-CYBMUJFWSA-N 1 2 347.346 3.125 20 5 EGBDLO Cc1noc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595329340 459278443 /nfs/dbraw/zinc/27/84/43/459278443.db2.gz QQBZWCKWKDJDPQ-CYBMUJFWSA-N 1 2 347.346 3.125 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](C2CCC2)C1 ZINC000591204178 459333167 /nfs/dbraw/zinc/33/31/67/459333167.db2.gz IMAPLYZRWPAWGI-KRWDZBQOSA-N 1 2 345.443 3.053 20 5 EGBDLO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595597308 459359386 /nfs/dbraw/zinc/35/93/86/459359386.db2.gz XKHPDIQJPQHSOK-LBPRGKRZSA-N 1 2 338.404 3.156 20 5 EGBDLO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595597308 459359389 /nfs/dbraw/zinc/35/93/89/459359389.db2.gz XKHPDIQJPQHSOK-LBPRGKRZSA-N 1 2 338.404 3.156 20 5 EGBDLO Cc1cc(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)cc(C)[nH+]1 ZINC000497057494 459422128 /nfs/dbraw/zinc/42/21/28/459422128.db2.gz VSFJKUODSUGIMM-UHFFFAOYSA-N 1 2 342.355 3.175 20 5 EGBDLO Cc1cc(NC[C@@H]2CCCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000561697714 459473565 /nfs/dbraw/zinc/47/35/65/459473565.db2.gz UGPBIUBHMZNFOW-ZDUSSCGKSA-N 1 2 344.440 3.337 20 5 EGBDLO NC(=O)c1cc(Nc2ccc(NC3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000596109252 459524265 /nfs/dbraw/zinc/52/42/65/459524265.db2.gz MWUWNMPAPFRXRX-UHFFFAOYSA-N 1 2 341.371 3.187 20 5 EGBDLO CC1(C)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000497424823 459535486 /nfs/dbraw/zinc/53/54/86/459535486.db2.gz DIDQGFISQCZDAQ-UHFFFAOYSA-N 1 2 325.796 3.309 20 5 EGBDLO CC1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000497424823 459535489 /nfs/dbraw/zinc/53/54/89/459535489.db2.gz DIDQGFISQCZDAQ-UHFFFAOYSA-N 1 2 325.796 3.309 20 5 EGBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCC2)O1 ZINC000592195808 459547589 /nfs/dbraw/zinc/54/75/89/459547589.db2.gz VCEGCBTXJSWLES-LBPRGKRZSA-N 1 2 330.388 3.005 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCC2)O1 ZINC000592195808 459547597 /nfs/dbraw/zinc/54/75/97/459547597.db2.gz VCEGCBTXJSWLES-LBPRGKRZSA-N 1 2 330.388 3.005 20 5 EGBDLO Cc1cc(N(C)CC2=CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596465874 459645922 /nfs/dbraw/zinc/64/59/22/459645922.db2.gz MVAIBBBOCHEJDF-UHFFFAOYSA-N 1 2 340.383 3.143 20 5 EGBDLO Cc1nccc([C@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000586760944 459866031 /nfs/dbraw/zinc/86/60/31/459866031.db2.gz XJXWKORDWBTFPC-LBPRGKRZSA-N 1 2 348.353 3.351 20 5 EGBDLO Cc1nccc([C@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000586760944 459866034 /nfs/dbraw/zinc/86/60/34/459866034.db2.gz XJXWKORDWBTFPC-LBPRGKRZSA-N 1 2 348.353 3.351 20 5 EGBDLO O=C(C[NH+]1CCC2(CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000586783214 459872073 /nfs/dbraw/zinc/87/20/73/459872073.db2.gz HIXFNCFJSFWZJM-UHFFFAOYSA-N 1 2 337.807 3.453 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598464378 459903953 /nfs/dbraw/zinc/90/39/53/459903953.db2.gz JIZDPJDFQLKWLV-LLVKDONJSA-N 1 2 348.428 3.320 20 5 EGBDLO Cn1ccnc1[C@H](C1CC1)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602439266 459938970 /nfs/dbraw/zinc/93/89/70/459938970.db2.gz JXZHDMPADXZMFN-KRWDZBQOSA-N 1 2 326.400 3.444 20 5 EGBDLO Cn1ccnc1[C@H](C1CC1)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602439266 459938972 /nfs/dbraw/zinc/93/89/72/459938972.db2.gz JXZHDMPADXZMFN-KRWDZBQOSA-N 1 2 326.400 3.444 20 5 EGBDLO Cn1cc[nH+]c1[C@H](C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602439266 459938977 /nfs/dbraw/zinc/93/89/77/459938977.db2.gz JXZHDMPADXZMFN-KRWDZBQOSA-N 1 2 326.400 3.444 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(F)c1 ZINC000610846805 460247082 /nfs/dbraw/zinc/24/70/82/460247082.db2.gz JMYZRVKRFMKECR-UHFFFAOYSA-N 1 2 326.331 3.210 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000604408825 460421888 /nfs/dbraw/zinc/42/18/88/460421888.db2.gz VVHDZIJDXSOPCT-DAXSKMNVSA-N 1 2 329.425 3.492 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000604525251 460441057 /nfs/dbraw/zinc/44/10/57/460441057.db2.gz AXZIMEIFXCPCBY-UHFFFAOYSA-N 1 2 334.294 3.236 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000604525251 460441061 /nfs/dbraw/zinc/44/10/61/460441061.db2.gz AXZIMEIFXCPCBY-UHFFFAOYSA-N 1 2 334.294 3.236 20 5 EGBDLO CCCn1c(C)nnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154484025 528813626 /nfs/dbraw/zinc/81/36/26/528813626.db2.gz ANYPVAZMQVTJPM-UHFFFAOYSA-N 1 2 331.420 3.315 20 5 EGBDLO CCCn1c(C)nnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154484025 528813630 /nfs/dbraw/zinc/81/36/30/528813630.db2.gz ANYPVAZMQVTJPM-UHFFFAOYSA-N 1 2 331.420 3.315 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])cc1F ZINC000184272646 536755358 /nfs/dbraw/zinc/75/53/58/536755358.db2.gz VCIADXQXQTVSPH-OAHLLOKOSA-N 1 2 331.347 3.475 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])cc1F ZINC000184272646 536755364 /nfs/dbraw/zinc/75/53/64/536755364.db2.gz VCIADXQXQTVSPH-OAHLLOKOSA-N 1 2 331.347 3.475 20 5 EGBDLO COC[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000264935172 536763519 /nfs/dbraw/zinc/76/35/19/536763519.db2.gz QWUYVFZAYBQZSI-CQSZACIVSA-N 1 2 342.399 3.223 20 5 EGBDLO CNc1ccc(C(=O)OCc2[nH+]cc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000736737035 576016096 /nfs/dbraw/zinc/01/60/96/576016096.db2.gz ZRNFPKNCYUUVBA-UHFFFAOYSA-N 1 2 345.355 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000738321234 576313695 /nfs/dbraw/zinc/31/36/95/576313695.db2.gz URZPNZKFPSRBLY-LBPRGKRZSA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000738321234 576313698 /nfs/dbraw/zinc/31/36/98/576313698.db2.gz URZPNZKFPSRBLY-LBPRGKRZSA-N 1 2 336.285 3.277 20 5 EGBDLO C[C@@H]1CCC[C@H](C)C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000742154521 576752378 /nfs/dbraw/zinc/75/23/78/576752378.db2.gz KVLNOIXEZQOAMT-VHSXEESVSA-N 1 2 331.214 3.022 20 5 EGBDLO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000742154521 576752380 /nfs/dbraw/zinc/75/23/80/576752380.db2.gz KVLNOIXEZQOAMT-VHSXEESVSA-N 1 2 331.214 3.022 20 5 EGBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000072862097 1292294891 /nfs/dbraw/zinc/29/48/91/1292294891.db2.gz WEMCZQFGONBCSD-LLVKDONJSA-N 1 2 343.836 3.014 20 5 EGBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000072862097 1292294897 /nfs/dbraw/zinc/29/48/97/1292294897.db2.gz WEMCZQFGONBCSD-LLVKDONJSA-N 1 2 343.836 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(Br)cc1NCCCCn1cc[nH+]c1 ZINC000087834419 1292746746 /nfs/dbraw/zinc/74/67/46/1292746746.db2.gz HHLDKMFMNPQNIB-UHFFFAOYSA-N 1 2 339.193 3.446 20 5 EGBDLO Cc1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000748495611 1299024910 /nfs/dbraw/zinc/02/49/10/1299024910.db2.gz VBUPBGRIWFBPBV-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO Cc1cc([NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1 ZINC000877196339 1299202729 /nfs/dbraw/zinc/20/27/29/1299202729.db2.gz YFLUQYXQTCOVKH-UHFFFAOYSA-N 1 2 341.411 3.394 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000761057255 1301396442 /nfs/dbraw/zinc/39/64/42/1301396442.db2.gz PDAHXAXPHLPUFV-SNVBAGLBSA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000761057255 1301396456 /nfs/dbraw/zinc/39/64/56/1301396456.db2.gz PDAHXAXPHLPUFV-SNVBAGLBSA-N 1 2 342.277 3.029 20 5 EGBDLO C[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000761600875 1301507900 /nfs/dbraw/zinc/50/79/00/1301507900.db2.gz VWDXPPMQLBBMEN-CJNGLKHVSA-N 1 2 344.415 3.126 20 5 EGBDLO CC(C)CC[C@@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767759684 1302758072 /nfs/dbraw/zinc/75/80/72/1302758072.db2.gz SDGDZYKRDGAXKO-NSHDSACASA-N 1 2 345.241 3.412 20 5 EGBDLO CC(C)CC[C@@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767759684 1302758077 /nfs/dbraw/zinc/75/80/77/1302758077.db2.gz SDGDZYKRDGAXKO-NSHDSACASA-N 1 2 345.241 3.412 20 5 EGBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000768261452 1302869051 /nfs/dbraw/zinc/86/90/51/1302869051.db2.gz CTZXCOJMOOXNMN-VIFPVBQESA-N 1 2 331.235 3.295 20 5 EGBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000768261452 1302869068 /nfs/dbraw/zinc/86/90/68/1302869068.db2.gz CTZXCOJMOOXNMN-VIFPVBQESA-N 1 2 331.235 3.295 20 5 EGBDLO CC(C)OC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000886723753 1303579707 /nfs/dbraw/zinc/57/97/07/1303579707.db2.gz KWXPHFVQUBODBT-UHFFFAOYSA-N 1 2 340.807 3.412 20 5 EGBDLO Nc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000786575395 1305602849 /nfs/dbraw/zinc/60/28/49/1305602849.db2.gz VDHYKWJUJXKEJV-UHFFFAOYSA-N 1 2 346.818 3.153 20 5 EGBDLO CSCCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792901257 1309255607 /nfs/dbraw/zinc/25/56/07/1309255607.db2.gz ZDGRDGGOYXIVKF-UHFFFAOYSA-N 1 2 345.262 3.469 20 5 EGBDLO CSCCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792901257 1309255616 /nfs/dbraw/zinc/25/56/16/1309255616.db2.gz ZDGRDGGOYXIVKF-UHFFFAOYSA-N 1 2 345.262 3.469 20 5 EGBDLO CC(C)CC1CC[NH+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794633911 1309561140 /nfs/dbraw/zinc/56/11/40/1309561140.db2.gz OQYPITDIZJHMAS-UHFFFAOYSA-N 1 2 333.388 3.218 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000804372288 1317224099 /nfs/dbraw/zinc/22/40/99/1317224099.db2.gz KTFOBPLMCCBKMD-UHFFFAOYSA-N 1 2 345.424 3.329 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCc2sccc2C1 ZINC000804372288 1317224100 /nfs/dbraw/zinc/22/41/00/1317224100.db2.gz KTFOBPLMCCBKMD-UHFFFAOYSA-N 1 2 345.424 3.329 20 5 EGBDLO Cc1cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000917007698 1319735857 /nfs/dbraw/zinc/73/58/57/1319735857.db2.gz FMZGSZDDJVEWII-HNNXBMFYSA-N 1 2 345.403 3.336 20 5 EGBDLO Cc1cc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000823056975 1320150148 /nfs/dbraw/zinc/15/01/48/1320150148.db2.gz LEFJURRAFWRMPV-IAGOWNOFSA-N 1 2 325.368 3.027 20 5 EGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)CC12CCCC2 ZINC000844689662 1321637174 /nfs/dbraw/zinc/63/71/74/1321637174.db2.gz YDEUPDKBZARXJP-UHFFFAOYSA-N 1 2 331.416 3.308 20 5 EGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)CC12CCCC2 ZINC000844689662 1321637178 /nfs/dbraw/zinc/63/71/78/1321637178.db2.gz YDEUPDKBZARXJP-UHFFFAOYSA-N 1 2 331.416 3.308 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c(F)c1 ZINC000859590108 1329028839 /nfs/dbraw/zinc/02/88/39/1329028839.db2.gz XGDFKISTJWXXFB-GOSISDBHSA-N 1 2 348.349 3.357 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c(F)c1 ZINC000859590108 1329028843 /nfs/dbraw/zinc/02/88/43/1329028843.db2.gz XGDFKISTJWXXFB-GOSISDBHSA-N 1 2 348.349 3.357 20 5 EGBDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853630014 1325135861 /nfs/dbraw/zinc/13/58/61/1325135861.db2.gz PLZJOXUQCOAAFZ-CYBMUJFWSA-N 1 2 338.367 3.358 20 5 EGBDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853630014 1325135869 /nfs/dbraw/zinc/13/58/69/1325135869.db2.gz PLZJOXUQCOAAFZ-CYBMUJFWSA-N 1 2 338.367 3.358 20 5 EGBDLO COc1ccc(OCCC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001116162003 1370850300 /nfs/dbraw/zinc/85/03/00/1370850300.db2.gz UVEHHEASWXUYGK-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO COc1ccc(OCCC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001116162003 1370850305 /nfs/dbraw/zinc/85/03/05/1370850305.db2.gz UVEHHEASWXUYGK-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO Cc1ncc([N+](=O)[O-])n1CCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC001119062897 1371274058 /nfs/dbraw/zinc/27/40/58/1371274058.db2.gz QVMVLFOEZNRCTL-UHFFFAOYSA-N 1 2 343.412 3.219 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225626855 1375134752 /nfs/dbraw/zinc/13/47/52/1375134752.db2.gz WSVYVAKYRMAAMO-KBPBESRZSA-N 1 2 343.383 3.300 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225626855 1375134754 /nfs/dbraw/zinc/13/47/54/1375134754.db2.gz WSVYVAKYRMAAMO-KBPBESRZSA-N 1 2 343.383 3.300 20 5 EGBDLO Cc1cccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001225632472 1375135960 /nfs/dbraw/zinc/13/59/60/1375135960.db2.gz JZPRHYWMQQKZAG-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1cccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC001225632472 1375135962 /nfs/dbraw/zinc/13/59/62/1375135962.db2.gz JZPRHYWMQQKZAG-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226006545 1375188655 /nfs/dbraw/zinc/18/86/55/1375188655.db2.gz GDYBWNRUBQSORX-HNNXBMFYSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226006545 1375188659 /nfs/dbraw/zinc/18/86/59/1375188659.db2.gz GDYBWNRUBQSORX-HNNXBMFYSA-N 1 2 346.358 3.014 20 5 EGBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3c4ccccc4cc4ccccc43)C[C@H]21 ZINC001153489740 1380084456 /nfs/dbraw/zinc/08/44/56/1380084456.db2.gz UXQWVSCIVCZNEL-UXHICEINSA-N 1 2 346.430 3.148 20 5 EGBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3c4ccccc4cc4ccccc43)C[C@H]21 ZINC001153489740 1380084457 /nfs/dbraw/zinc/08/44/57/1380084457.db2.gz UXQWVSCIVCZNEL-UXHICEINSA-N 1 2 346.430 3.148 20 5 EGBDLO Cc1cc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1Br ZINC001161688441 1382481089 /nfs/dbraw/zinc/48/10/89/1382481089.db2.gz RGZAJZSUVUSENM-UHFFFAOYSA-N 1 2 339.193 3.364 20 5 EGBDLO CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216493 1384937729 /nfs/dbraw/zinc/93/77/29/1384937729.db2.gz BXFBTLLGWFYVTI-CXAGYDPISA-N 1 2 334.416 3.237 20 5 EGBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001175737062 1385390385 /nfs/dbraw/zinc/39/03/85/1385390385.db2.gz RVHKXHXQKCLLSM-UHFFFAOYSA-N 1 2 331.347 3.310 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000068421483 215306587 /nfs/dbraw/zinc/30/65/87/215306587.db2.gz UKFKPDZBUDUODN-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000010764621 211187864 /nfs/dbraw/zinc/18/78/64/211187864.db2.gz QYNULRLAQNNPBL-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000010764621 211187867 /nfs/dbraw/zinc/18/78/67/211187867.db2.gz QYNULRLAQNNPBL-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000010764620 211187875 /nfs/dbraw/zinc/18/78/75/211187875.db2.gz QYNULRLAQNNPBL-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000010764620 211187878 /nfs/dbraw/zinc/18/78/78/211187878.db2.gz QYNULRLAQNNPBL-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO COc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000354589318 141311533 /nfs/dbraw/zinc/31/15/33/141311533.db2.gz BROARNJBEVLPFT-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000356341888 141343865 /nfs/dbraw/zinc/34/38/65/141343865.db2.gz OQQCQDWTMOXJFG-GFCCVEGCSA-N 1 2 348.428 3.112 20 5 EGBDLO CC(C)[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000351093035 144255325 /nfs/dbraw/zinc/25/53/25/144255325.db2.gz AISFISSOETYZTE-MRXNPFEDSA-N 1 2 331.372 3.107 20 5 EGBDLO CC(C)[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000351093035 144255327 /nfs/dbraw/zinc/25/53/27/144255327.db2.gz AISFISSOETYZTE-MRXNPFEDSA-N 1 2 331.372 3.107 20 5 EGBDLO COc1cc[nH+]cc1COc1c(Br)cccc1[N+](=O)[O-] ZINC000341345009 155243973 /nfs/dbraw/zinc/24/39/73/155243973.db2.gz CLXWAIINACOGGC-UHFFFAOYSA-N 1 2 339.145 3.340 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121197589 152333036 /nfs/dbraw/zinc/33/30/36/152333036.db2.gz HPLMHEXDGUHPGD-KRWDZBQOSA-N 1 2 332.356 3.030 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121197589 152333040 /nfs/dbraw/zinc/33/30/40/152333040.db2.gz HPLMHEXDGUHPGD-KRWDZBQOSA-N 1 2 332.356 3.030 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000341592398 155373025 /nfs/dbraw/zinc/37/30/25/155373025.db2.gz XEVDYGDCALSVMY-NSHDSACASA-N 1 2 328.294 3.112 20 5 EGBDLO Cc1cccc2[nH+]c(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)cn21 ZINC000349141768 156365521 /nfs/dbraw/zinc/36/55/21/156365521.db2.gz FSCLJWMNPQOKQQ-UHFFFAOYSA-N 1 2 333.351 3.463 20 5 EGBDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000346523567 164391183 /nfs/dbraw/zinc/39/11/83/164391183.db2.gz BGEPBWQTNCNSRN-KRWDZBQOSA-N 1 2 346.383 3.203 20 5 EGBDLO CCc1ccc([C@@H]2COCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000346523567 164391184 /nfs/dbraw/zinc/39/11/84/164391184.db2.gz BGEPBWQTNCNSRN-KRWDZBQOSA-N 1 2 346.383 3.203 20 5 EGBDLO Cc1c([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000359013517 167037114 /nfs/dbraw/zinc/03/71/14/167037114.db2.gz IRQTUWNVFHLFFL-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO CCc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000174207601 265033567 /nfs/dbraw/zinc/03/35/67/265033567.db2.gz LEDMWONUGLSKLU-UHFFFAOYSA-N 1 2 338.367 3.043 20 5 EGBDLO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000274966038 267312944 /nfs/dbraw/zinc/31/29/44/267312944.db2.gz JSYWNKYDDQCADU-UHFFFAOYSA-N 1 2 334.269 3.077 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000106240520 275168053 /nfs/dbraw/zinc/16/80/53/275168053.db2.gz ZZWJFJPIBIUZTM-QWRGUYRKSA-N 1 2 334.401 3.038 20 5 EGBDLO CC1(C)C[C@@H]([NH2+]Cc2nnc3n2CCCC3)c2cc([N+](=O)[O-])ccc21 ZINC000279199630 275311883 /nfs/dbraw/zinc/31/18/83/275311883.db2.gz XHDNKCXZCKWOIK-OAHLLOKOSA-N 1 2 341.415 3.035 20 5 EGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC2(CCOCC2)O1 ZINC000279823012 275362975 /nfs/dbraw/zinc/36/29/75/275362975.db2.gz QOGOJUYENQXARW-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC2(CCOCC2)O1 ZINC000279823012 275362982 /nfs/dbraw/zinc/36/29/82/275362982.db2.gz QOGOJUYENQXARW-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCc1[nH+]c2ccccc2n1C ZINC000289038221 276282098 /nfs/dbraw/zinc/28/20/98/276282098.db2.gz YYBMEKQGUGVIGN-UHFFFAOYSA-N 1 2 342.403 3.051 20 5 EGBDLO CC(C)([NH2+]Cc1nc(-c2ccco2)no1)c1ccccc1[N+](=O)[O-] ZINC000292048874 276726394 /nfs/dbraw/zinc/72/63/94/276726394.db2.gz BJJADBZPGFNZOM-UHFFFAOYSA-N 1 2 328.328 3.263 20 5 EGBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339577676 278070121 /nfs/dbraw/zinc/07/01/21/278070121.db2.gz HSIAQFCGFCFVRM-UHFFFAOYSA-N 1 2 341.245 3.270 20 5 EGBDLO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[N@H+](C)Cc1ccccc1 ZINC000339351937 280082929 /nfs/dbraw/zinc/08/29/29/280082929.db2.gz FQVXTZCMLMBQLV-INIZCTEOSA-N 1 2 343.383 3.150 20 5 EGBDLO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[N@@H+](C)Cc1ccccc1 ZINC000339351937 280082931 /nfs/dbraw/zinc/08/29/31/280082931.db2.gz FQVXTZCMLMBQLV-INIZCTEOSA-N 1 2 343.383 3.150 20 5 EGBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193628184 294388186 /nfs/dbraw/zinc/38/81/86/294388186.db2.gz FOOCXIKOZLQZFY-HNNXBMFYSA-N 1 2 330.344 3.179 20 5 EGBDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193628184 294388190 /nfs/dbraw/zinc/38/81/90/294388190.db2.gz FOOCXIKOZLQZFY-HNNXBMFYSA-N 1 2 330.344 3.179 20 5 EGBDLO Cc1ccnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000301260517 308693873 /nfs/dbraw/zinc/69/38/73/308693873.db2.gz FHLRXNKUPVKVDC-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CCc1cc(NCC2(CO)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302153588 308731111 /nfs/dbraw/zinc/73/11/11/308731111.db2.gz MKFUVBXTILOLKE-UHFFFAOYSA-N 1 2 342.399 3.189 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCOC4(CCOCC4)C3)c2c1 ZINC000413192958 309020620 /nfs/dbraw/zinc/02/06/20/309020620.db2.gz KDGAHSPZPWQMIJ-CQSZACIVSA-N 1 2 343.383 3.283 20 5 EGBDLO C[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000413201708 309021142 /nfs/dbraw/zinc/02/11/42/309021142.db2.gz WDHFNJLDTXXWJZ-GUYCJALGSA-N 1 2 337.383 3.427 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000421571665 309330167 /nfs/dbraw/zinc/33/01/67/309330167.db2.gz YEDJPAACGRBDTC-HNNXBMFYSA-N 1 2 342.399 3.168 20 5 EGBDLO C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000429245836 309575131 /nfs/dbraw/zinc/57/51/31/309575131.db2.gz LSLJHQYKMVZRMY-TZMCWYRMSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(C)(C)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448912541 310023655 /nfs/dbraw/zinc/02/36/55/310023655.db2.gz SPRZXSBXQVZVHX-MRXNPFEDSA-N 1 2 342.399 3.431 20 5 EGBDLO CCC[C@@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449868983 310091671 /nfs/dbraw/zinc/09/16/71/310091671.db2.gz FZGZYEHGGBLENN-HNNXBMFYSA-N 1 2 346.412 3.096 20 5 EGBDLO Cc1nc(Nc2ccc([NH2+]C3CCOCC3)cc2)ncc1[N+](=O)[O-] ZINC000450303285 310114378 /nfs/dbraw/zinc/11/43/78/310114378.db2.gz MUSULWZPBSFOLI-UHFFFAOYSA-N 1 2 329.360 3.028 20 5 EGBDLO C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000450378337 310119059 /nfs/dbraw/zinc/11/90/59/310119059.db2.gz LIOQPBBRZRWCIP-SUMWQHHRSA-N 1 2 337.383 3.427 20 5 EGBDLO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450571631 310130645 /nfs/dbraw/zinc/13/06/45/310130645.db2.gz RESKKCURGUAPPB-CQSZACIVSA-N 1 2 342.399 3.289 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335634 310223897 /nfs/dbraw/zinc/22/38/97/310223897.db2.gz QXJVZDQEMRMAEH-AWEZNQCLSA-N 1 2 342.399 3.335 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455242622 310351838 /nfs/dbraw/zinc/35/18/38/310351838.db2.gz HHOIRLBHPKXKGP-WCQYABFASA-N 1 2 329.360 3.236 20 5 EGBDLO Cc1cc(C)c(NC(=O)NCCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000455470942 310362282 /nfs/dbraw/zinc/36/22/82/310362282.db2.gz BAZVPNGVJABEGO-UHFFFAOYSA-N 1 2 328.372 3.279 20 5 EGBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000491417427 311178052 /nfs/dbraw/zinc/17/80/52/311178052.db2.gz NDMWEEDHUBSXJM-VSKVDJIOSA-N 1 2 344.346 3.224 20 5 EGBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000492273370 311232481 /nfs/dbraw/zinc/23/24/81/311232481.db2.gz KFVHAKSRTGQPBA-RLCCDNCMSA-N 1 2 340.807 3.017 20 5 EGBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000492273370 311232482 /nfs/dbraw/zinc/23/24/82/311232482.db2.gz KFVHAKSRTGQPBA-RLCCDNCMSA-N 1 2 340.807 3.017 20 5 EGBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000492364038 311242318 /nfs/dbraw/zinc/24/23/18/311242318.db2.gz CKCLDXSICLTABE-FPLPWBNLSA-N 1 2 348.362 3.315 20 5 EGBDLO COC(=O)[C@H](c1ccccc1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511111628 312155057 /nfs/dbraw/zinc/15/50/57/312155057.db2.gz WGKDTEPWVHQXJL-SFHVURJKSA-N 1 2 342.395 3.292 20 5 EGBDLO COC(=O)[C@H](c1ccccc1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511111628 312155058 /nfs/dbraw/zinc/15/50/58/312155058.db2.gz WGKDTEPWVHQXJL-SFHVURJKSA-N 1 2 342.395 3.292 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000531656874 313697087 /nfs/dbraw/zinc/69/70/87/313697087.db2.gz WLSSMYSWKQUYHF-JKSUJKDBSA-N 1 2 339.823 3.304 20 5 EGBDLO CC(=O)c1cc(N2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000552901199 315236930 /nfs/dbraw/zinc/23/69/30/315236930.db2.gz VHCKLYFWIPQMDT-UHFFFAOYSA-N 1 2 345.424 3.181 20 5 EGBDLO Cc1cc(N2CC[NH+](Cc3ccsc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000563795549 316069876 /nfs/dbraw/zinc/06/98/76/316069876.db2.gz GVLLEBQKXVPYFS-UHFFFAOYSA-N 1 2 335.404 3.426 20 5 EGBDLO CCc1cc(N[C@@H]2CC[C@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000565793965 316370453 /nfs/dbraw/zinc/37/04/53/316370453.db2.gz AGYDLZLVMKVCPB-GXTWGEPZSA-N 1 2 330.363 3.339 20 5 EGBDLO CC(C)(NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1[nH]cc[nH+]1 ZINC000568992774 316851532 /nfs/dbraw/zinc/85/15/32/316851532.db2.gz XGDZAARVMBONRD-UHFFFAOYSA-N 1 2 342.277 3.002 20 5 EGBDLO C[C@@H](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC000572044354 317283092 /nfs/dbraw/zinc/28/30/92/317283092.db2.gz FPVUOANEZFCWMX-GOEBONIOSA-N 1 2 342.399 3.149 20 5 EGBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000172859527 323290954 /nfs/dbraw/zinc/29/09/54/323290954.db2.gz XUINIQJJSYXATB-GHMZBOCLSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000172859527 323290957 /nfs/dbraw/zinc/29/09/57/323290957.db2.gz XUINIQJJSYXATB-GHMZBOCLSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000007811818 453118915 /nfs/dbraw/zinc/11/89/15/453118915.db2.gz FTZWZERGRKLVCX-QWRGUYRKSA-N 1 2 325.796 3.165 20 5 EGBDLO Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000014507724 453537247 /nfs/dbraw/zinc/53/72/47/453537247.db2.gz CRYUCGLTMLLSFL-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000015442200 453574188 /nfs/dbraw/zinc/57/41/88/453574188.db2.gz DHLGGGMTQZKCEK-UHFFFAOYSA-N 1 2 349.337 3.334 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000015442200 453574192 /nfs/dbraw/zinc/57/41/92/453574192.db2.gz DHLGGGMTQZKCEK-UHFFFAOYSA-N 1 2 349.337 3.334 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000017743804 453637677 /nfs/dbraw/zinc/63/76/77/453637677.db2.gz MNSZDFDUDQMCFV-UHFFFAOYSA-N 1 2 346.412 3.006 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000066845911 453879252 /nfs/dbraw/zinc/87/92/52/453879252.db2.gz NXNPSIBQCBTSDD-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000066845911 453879256 /nfs/dbraw/zinc/87/92/56/453879256.db2.gz NXNPSIBQCBTSDD-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO Cc1csc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000075637329 453913121 /nfs/dbraw/zinc/91/31/21/453913121.db2.gz PUOQGSRFFKPPAB-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000083417631 453948562 /nfs/dbraw/zinc/94/85/62/453948562.db2.gz OMFVFAXVOYGJDV-UHFFFAOYSA-N 1 2 343.836 3.014 20 5 EGBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000083417631 453948564 /nfs/dbraw/zinc/94/85/64/453948564.db2.gz OMFVFAXVOYGJDV-UHFFFAOYSA-N 1 2 343.836 3.014 20 5 EGBDLO O=[N+]([O-])c1cccnc1NCc1cn2cc(Br)ccc2[nH+]1 ZINC000054841305 453950150 /nfs/dbraw/zinc/95/01/50/453950150.db2.gz YXQMTRKBELTUEW-UHFFFAOYSA-N 1 2 348.160 3.012 20 5 EGBDLO CC(=O)c1ccc(NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000068321587 454017550 /nfs/dbraw/zinc/01/75/50/454017550.db2.gz SWQJBVHOADYBQP-UHFFFAOYSA-N 1 2 325.368 3.225 20 5 EGBDLO C[C@@H](c1ccco1)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086235406 454045385 /nfs/dbraw/zinc/04/53/85/454045385.db2.gz MYAJCMLTLWBNFG-ZDUSSCGKSA-N 1 2 343.383 3.376 20 5 EGBDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086235406 454045392 /nfs/dbraw/zinc/04/53/92/454045392.db2.gz MYAJCMLTLWBNFG-ZDUSSCGKSA-N 1 2 343.383 3.376 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000069069146 454077285 /nfs/dbraw/zinc/07/72/85/454077285.db2.gz PNUVMZZZCJNKGT-LBPRGKRZSA-N 1 2 347.371 3.218 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000069069146 454077287 /nfs/dbraw/zinc/07/72/87/454077287.db2.gz PNUVMZZZCJNKGT-LBPRGKRZSA-N 1 2 347.371 3.218 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3(c4ccccc4)CC3)n2)c1 ZINC000077378701 454099105 /nfs/dbraw/zinc/09/91/05/454099105.db2.gz HFAYECBERDTCPU-UHFFFAOYSA-N 1 2 336.351 3.424 20 5 EGBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000089103120 454122814 /nfs/dbraw/zinc/12/28/14/454122814.db2.gz ZHFAREABZJVLAS-UHFFFAOYSA-N 1 2 334.397 3.383 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000089103120 454122816 /nfs/dbraw/zinc/12/28/16/454122816.db2.gz ZHFAREABZJVLAS-UHFFFAOYSA-N 1 2 334.397 3.383 20 5 EGBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000045671471 454172931 /nfs/dbraw/zinc/17/29/31/454172931.db2.gz UNVRXCLMNKTZSF-UHFFFAOYSA-N 1 2 348.362 3.043 20 5 EGBDLO CN(C)c1ccc([NH+]2CCC(Nc3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000078412925 454249913 /nfs/dbraw/zinc/24/99/13/454249913.db2.gz SKYZUXLRHFFMLU-UHFFFAOYSA-N 1 2 341.415 3.137 20 5 EGBDLO C[NH+](C)c1ccc(N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000078412925 454249914 /nfs/dbraw/zinc/24/99/14/454249914.db2.gz SKYZUXLRHFFMLU-UHFFFAOYSA-N 1 2 341.415 3.137 20 5 EGBDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000046782919 454284926 /nfs/dbraw/zinc/28/49/26/454284926.db2.gz IASXSZSXKNRHLY-UHFFFAOYSA-N 1 2 333.775 3.319 20 5 EGBDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000046782919 454284934 /nfs/dbraw/zinc/28/49/34/454284934.db2.gz IASXSZSXKNRHLY-UHFFFAOYSA-N 1 2 333.775 3.319 20 5 EGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000132321448 454329528 /nfs/dbraw/zinc/32/95/28/454329528.db2.gz GLAHXAUEFZTJAW-UHFFFAOYSA-N 1 2 345.355 3.185 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000121536057 454448416 /nfs/dbraw/zinc/44/84/16/454448416.db2.gz LYOICTQJWFUIPN-UHFFFAOYSA-N 1 2 326.356 3.433 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000091628928 454452265 /nfs/dbraw/zinc/45/22/65/454452265.db2.gz UOTHYCVIFPCLJX-CQSZACIVSA-N 1 2 344.390 3.321 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1[nH+]ccn1CCc1ccccc1 ZINC000092669405 454606646 /nfs/dbraw/zinc/60/66/46/454606646.db2.gz ZVYHCZJZYBILIC-UHFFFAOYSA-N 1 2 337.383 3.350 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065623486 454606722 /nfs/dbraw/zinc/60/67/22/454606722.db2.gz VUNSGGCUENPRTA-BETUJISGSA-N 1 2 328.372 3.184 20 5 EGBDLO CC(=O)c1ccc(NCCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000080676148 454617102 /nfs/dbraw/zinc/61/71/02/454617102.db2.gz HKGDHUMMDSSWPZ-UHFFFAOYSA-N 1 2 338.367 3.408 20 5 EGBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 ZINC000123463778 454639915 /nfs/dbraw/zinc/63/99/15/454639915.db2.gz YQIZRXVQJXHMGR-VXGBXAGGSA-N 1 2 339.355 3.452 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC2(CCC2)C1 ZINC000123499743 454645417 /nfs/dbraw/zinc/64/54/17/454645417.db2.gz CHSNXUPWDJMNQQ-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC2(CCC2)C1 ZINC000123499743 454645423 /nfs/dbraw/zinc/64/54/23/454645423.db2.gz CHSNXUPWDJMNQQ-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093888788 454744307 /nfs/dbraw/zinc/74/43/07/454744307.db2.gz RGEWGAVCSSYEBO-FNODVLLQSA-N 1 2 348.424 3.231 20 5 EGBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093888788 454744309 /nfs/dbraw/zinc/74/43/09/454744309.db2.gz RGEWGAVCSSYEBO-FNODVLLQSA-N 1 2 348.424 3.231 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153267913 454776816 /nfs/dbraw/zinc/77/68/16/454776816.db2.gz QTDDHBGPZYMSQN-INIZCTEOSA-N 1 2 345.443 3.350 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153267913 454776817 /nfs/dbraw/zinc/77/68/17/454776817.db2.gz QTDDHBGPZYMSQN-INIZCTEOSA-N 1 2 345.443 3.350 20 5 EGBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000126037384 454865568 /nfs/dbraw/zinc/86/55/68/454865568.db2.gz JDQJHRUALMZRMK-UHFFFAOYSA-N 1 2 347.396 3.289 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000160728467 455492870 /nfs/dbraw/zinc/49/28/70/455492870.db2.gz MZDFMFDLHXTRHR-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000160728467 455492878 /nfs/dbraw/zinc/49/28/78/455492878.db2.gz MZDFMFDLHXTRHR-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128011946 455018636 /nfs/dbraw/zinc/01/86/36/455018636.db2.gz WQCQJMMXUCRSIG-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128011946 455018640 /nfs/dbraw/zinc/01/86/40/455018640.db2.gz WQCQJMMXUCRSIG-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000152014782 455061647 /nfs/dbraw/zinc/06/16/47/455061647.db2.gz QOEKNKTUXMJEDJ-HNNXBMFYSA-N 1 2 330.388 3.444 20 5 EGBDLO Cc1noc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000172176392 455132011 /nfs/dbraw/zinc/13/20/11/455132011.db2.gz XQVHEPXGHXJZCB-UHFFFAOYSA-N 1 2 336.779 3.319 20 5 EGBDLO Cc1cc(N[C@@H]2CCCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000182988142 455204820 /nfs/dbraw/zinc/20/48/20/455204820.db2.gz GENLBXDWFOQEKY-CQSZACIVSA-N 1 2 328.372 3.341 20 5 EGBDLO Cc1c([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000157533866 455204955 /nfs/dbraw/zinc/20/49/55/455204955.db2.gz PUYWMLZUALQEOI-ZDUSSCGKSA-N 1 2 329.404 3.072 20 5 EGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000192186729 455570476 /nfs/dbraw/zinc/57/04/76/455570476.db2.gz QYZQLRPFUYOIPT-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000192186729 455570479 /nfs/dbraw/zinc/57/04/79/455570479.db2.gz QYZQLRPFUYOIPT-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO CC(C)c1nnc([C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232316 455923419 /nfs/dbraw/zinc/92/34/19/455923419.db2.gz WDVUMSZNRXSEMC-IUODEOHRSA-N 1 2 346.387 3.236 20 5 EGBDLO CC(C)c1nnc([C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232316 455923421 /nfs/dbraw/zinc/92/34/21/455923421.db2.gz WDVUMSZNRXSEMC-IUODEOHRSA-N 1 2 346.387 3.236 20 5 EGBDLO C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195656702 455992952 /nfs/dbraw/zinc/99/29/52/455992952.db2.gz NKJRQMNNPXCEBB-HIFRSBDPSA-N 1 2 342.399 3.337 20 5 EGBDLO C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195656703 455993005 /nfs/dbraw/zinc/99/30/05/455993005.db2.gz NKJRQMNNPXCEBB-ZFWWWQNUSA-N 1 2 342.399 3.337 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CCCCC1 ZINC000296768764 456032921 /nfs/dbraw/zinc/03/29/21/456032921.db2.gz RDSDKGGHBFZMNK-QWHCGFSZSA-N 1 2 344.419 3.498 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000289824634 456145011 /nfs/dbraw/zinc/14/50/11/456145011.db2.gz OIBCQULHYIUBAS-CMPLNLGQSA-N 1 2 341.358 3.207 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000289824634 456145017 /nfs/dbraw/zinc/14/50/17/456145017.db2.gz OIBCQULHYIUBAS-CMPLNLGQSA-N 1 2 341.358 3.207 20 5 EGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(CC)s2)cc1[N+](=O)[O-] ZINC000290244320 456274197 /nfs/dbraw/zinc/27/41/97/456274197.db2.gz SVDBKNMSSRDZOR-SNVBAGLBSA-N 1 2 336.417 3.258 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000302703503 456378978 /nfs/dbraw/zinc/37/89/78/456378978.db2.gz VNXBSPMRZBLJKT-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000353123873 456505240 /nfs/dbraw/zinc/50/52/40/456505240.db2.gz IWSSMJQIOYNTAD-DHDCSXOGSA-N 1 2 349.394 3.172 20 5 EGBDLO Cc1cc(NC[C@H](O)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301119483 456801559 /nfs/dbraw/zinc/80/15/59/456801559.db2.gz PXQMRUFQCDXGLN-OAHLLOKOSA-N 1 2 330.388 3.179 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@](=O)C1 ZINC000277491520 456843272 /nfs/dbraw/zinc/84/32/72/456843272.db2.gz NKWOZTVVPUOWMF-YEBMWUKDSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@@](=O)C1 ZINC000277491520 456843276 /nfs/dbraw/zinc/84/32/76/456843276.db2.gz NKWOZTVVPUOWMF-YEBMWUKDSA-N 1 2 348.424 3.055 20 5 EGBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1O ZINC000339112414 456945572 /nfs/dbraw/zinc/94/55/72/456945572.db2.gz OMLRSOJWTZWOCH-CYBMUJFWSA-N 1 2 332.322 3.206 20 5 EGBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1O ZINC000339112414 456945575 /nfs/dbraw/zinc/94/55/75/456945575.db2.gz OMLRSOJWTZWOCH-CYBMUJFWSA-N 1 2 332.322 3.206 20 5 EGBDLO C[C@H](C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000339201330 456989497 /nfs/dbraw/zinc/98/94/97/456989497.db2.gz QYZLHSLEBHUXFK-CABCVRRESA-N 1 2 344.411 3.287 20 5 EGBDLO C[C@H](C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000339201330 456989500 /nfs/dbraw/zinc/98/95/00/456989500.db2.gz QYZLHSLEBHUXFK-CABCVRRESA-N 1 2 344.411 3.287 20 5 EGBDLO Cc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000360019073 457206221 /nfs/dbraw/zinc/20/62/21/457206221.db2.gz XRHMJSVBTKVDFD-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)nc2c1 ZINC000332186453 457323706 /nfs/dbraw/zinc/32/37/06/457323706.db2.gz FQJBEATVRWMPTN-SECBINFHSA-N 1 2 328.294 3.245 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)nc2c1 ZINC000332186453 457323713 /nfs/dbraw/zinc/32/37/13/457323713.db2.gz FQJBEATVRWMPTN-SECBINFHSA-N 1 2 328.294 3.245 20 5 EGBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000357193059 457368613 /nfs/dbraw/zinc/36/86/13/457368613.db2.gz VEJSHRCAYVDGAV-HNNXBMFYSA-N 1 2 330.388 3.335 20 5 EGBDLO O=C(CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000352677302 457522459 /nfs/dbraw/zinc/52/24/59/457522459.db2.gz KDXOZNAJLOGCFF-UHFFFAOYSA-N 1 2 326.352 3.062 20 5 EGBDLO O=C(CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000352677302 457522465 /nfs/dbraw/zinc/52/24/65/457522465.db2.gz KDXOZNAJLOGCFF-UHFFFAOYSA-N 1 2 326.352 3.062 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1C ZINC000347603105 457542956 /nfs/dbraw/zinc/54/29/56/457542956.db2.gz XGVGRUYNIWHFFL-UHFFFAOYSA-N 1 2 348.428 3.151 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000366899851 457907229 /nfs/dbraw/zinc/90/72/29/457907229.db2.gz IIIGQHJDUKEBAR-KRWDZBQOSA-N 1 2 348.786 3.008 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000358280420 457907541 /nfs/dbraw/zinc/90/75/41/457907541.db2.gz UDQXZVYNHHCTID-SNVBAGLBSA-N 1 2 349.774 3.034 20 5 EGBDLO CC(=O)c1ccccc1OCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446726655 458219112 /nfs/dbraw/zinc/21/91/12/458219112.db2.gz PVFVRLZWHWPHHT-UHFFFAOYSA-N 1 2 340.379 3.235 20 5 EGBDLO CC(=O)c1ccccc1OCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446726655 458219117 /nfs/dbraw/zinc/21/91/17/458219117.db2.gz PVFVRLZWHWPHHT-UHFFFAOYSA-N 1 2 340.379 3.235 20 5 EGBDLO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000428925217 458232132 /nfs/dbraw/zinc/23/21/32/458232132.db2.gz FSAKRVJFNVEHBO-ZDUSSCGKSA-N 1 2 348.321 3.015 20 5 EGBDLO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000428925217 458232137 /nfs/dbraw/zinc/23/21/37/458232137.db2.gz FSAKRVJFNVEHBO-ZDUSSCGKSA-N 1 2 348.321 3.015 20 5 EGBDLO COc1cccc(Cl)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446835771 458234620 /nfs/dbraw/zinc/23/46/20/458234620.db2.gz QFVJXKJADOJABB-UHFFFAOYSA-N 1 2 346.774 3.423 20 5 EGBDLO Cc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])s1 ZINC000447803148 458344409 /nfs/dbraw/zinc/34/44/09/458344409.db2.gz QSDHSSQJXWTNJW-UHFFFAOYSA-N 1 2 347.440 3.409 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000430198264 458419152 /nfs/dbraw/zinc/41/91/52/458419152.db2.gz QRSRYGDPFCDWTH-GOSISDBHSA-N 1 2 346.358 3.316 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000430198264 458419157 /nfs/dbraw/zinc/41/91/57/458419157.db2.gz QRSRYGDPFCDWTH-GOSISDBHSA-N 1 2 346.358 3.316 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CCOC(C)C)CC1 ZINC000470176436 458620894 /nfs/dbraw/zinc/62/08/94/458620894.db2.gz KXFOTTNUAZUZMP-GHRIWEEISA-N 1 2 347.459 3.041 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3cccc(OC)c3C2)c([N+](=O)[O-])cc1F ZINC000590760082 459208475 /nfs/dbraw/zinc/20/84/75/459208475.db2.gz UPOPQDUOOQZGIL-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc(C[N@H+]2CCc3cccc(OC)c3C2)c([N+](=O)[O-])cc1F ZINC000590760082 459208479 /nfs/dbraw/zinc/20/84/79/459208479.db2.gz UPOPQDUOOQZGIL-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000595399225 459290777 /nfs/dbraw/zinc/29/07/77/459290777.db2.gz XHBOSBODIMPZIB-LJQANCHMSA-N 1 2 342.370 3.408 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000595399225 459290779 /nfs/dbraw/zinc/29/07/79/459290779.db2.gz XHBOSBODIMPZIB-LJQANCHMSA-N 1 2 342.370 3.408 20 5 EGBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]2C ZINC000595426621 459296950 /nfs/dbraw/zinc/29/69/50/459296950.db2.gz QMNMSKWVHMKPSD-PWSUYJOCSA-N 1 2 331.372 3.408 20 5 EGBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]2C ZINC000595426621 459296952 /nfs/dbraw/zinc/29/69/52/459296952.db2.gz QMNMSKWVHMKPSD-PWSUYJOCSA-N 1 2 331.372 3.408 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(C(F)(F)F)c1 ZINC000591144318 459321636 /nfs/dbraw/zinc/32/16/36/459321636.db2.gz YXVIEIAZFCJJEK-SNVBAGLBSA-N 1 2 341.293 3.047 20 5 EGBDLO CCOC(=O)Cc1ccc(NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000591953895 459495680 /nfs/dbraw/zinc/49/56/80/459495680.db2.gz JBYJPTSEATZNDV-UHFFFAOYSA-N 1 2 343.383 3.324 20 5 EGBDLO CCn1nccc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000596062427 459505349 /nfs/dbraw/zinc/50/53/49/459505349.db2.gz QZVBPRMANHFQIU-UHFFFAOYSA-N 1 2 343.412 3.225 20 5 EGBDLO Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c([N+](=O)[O-])s1 ZINC000596130071 459531451 /nfs/dbraw/zinc/53/14/51/459531451.db2.gz VFGKOSCPENOQJF-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO COc1cc(NCc2ccc[nH+]c2N2CCCC2)ccc1[N+](=O)[O-] ZINC000596357184 459606574 /nfs/dbraw/zinc/60/65/74/459606574.db2.gz MYXOFFODYFHFFX-UHFFFAOYSA-N 1 2 328.372 3.211 20 5 EGBDLO O=C(C[N@@H+]1CCCc2sccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000609323361 459945058 /nfs/dbraw/zinc/94/50/58/459945058.db2.gz BHDKIHGYBXUYTB-UHFFFAOYSA-N 1 2 331.397 3.043 20 5 EGBDLO O=C(C[N@H+]1CCCc2sccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000609323361 459945065 /nfs/dbraw/zinc/94/50/65/459945065.db2.gz BHDKIHGYBXUYTB-UHFFFAOYSA-N 1 2 331.397 3.043 20 5 EGBDLO CCc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC000602502459 459971562 /nfs/dbraw/zinc/97/15/62/459971562.db2.gz XZBWOFAVPJUNDZ-UHFFFAOYSA-N 1 2 329.278 3.454 20 5 EGBDLO C[C@@H](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC000598880942 460081532 /nfs/dbraw/zinc/08/15/32/460081532.db2.gz NUKQSLMDJOZXJW-ZDUSSCGKSA-N 1 2 328.372 3.112 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000610389969 460139269 /nfs/dbraw/zinc/13/92/69/460139269.db2.gz BKMPZGJIBQDLGG-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000610389969 460139274 /nfs/dbraw/zinc/13/92/74/460139274.db2.gz BKMPZGJIBQDLGG-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO CCC[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OCC ZINC000599058837 460145582 /nfs/dbraw/zinc/14/55/82/460145582.db2.gz GNOYRFMYGHAAKF-IRXDYDNUSA-N 1 2 346.431 3.213 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000610787890 460237048 /nfs/dbraw/zinc/23/70/48/460237048.db2.gz GPTSNSGFKRRBIH-QGZVFWFLSA-N 1 2 338.367 3.028 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000615034166 460265168 /nfs/dbraw/zinc/26/51/68/460265168.db2.gz BQJVINQFQFRZFV-UHFFFAOYSA-N 1 2 340.383 3.041 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601241081 460763998 /nfs/dbraw/zinc/76/39/98/460763998.db2.gz WQZOLGKCQJYPIB-UHFFFAOYSA-N 1 2 348.403 3.294 20 5 EGBDLO CCc1nn(C)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000354560166 536183090 /nfs/dbraw/zinc/18/30/90/536183090.db2.gz GFRLYBNPIGPNHU-UHFFFAOYSA-N 1 2 330.392 3.020 20 5 EGBDLO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000738052198 574577397 /nfs/dbraw/zinc/57/73/97/574577397.db2.gz CQXHFNKUQSBITN-PWSUYJOCSA-N 1 2 345.241 3.412 20 5 EGBDLO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000738052198 574577399 /nfs/dbraw/zinc/57/73/99/574577399.db2.gz CQXHFNKUQSBITN-PWSUYJOCSA-N 1 2 345.241 3.412 20 5 EGBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000734340735 575471549 /nfs/dbraw/zinc/47/15/49/575471549.db2.gz QWMNYRVJAPZNMD-GFCCVEGCSA-N 1 2 330.388 3.193 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccsc1 ZINC000743273421 576805085 /nfs/dbraw/zinc/80/50/85/576805085.db2.gz NOCJGJFQTMNWII-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccsc1 ZINC000743273421 576805086 /nfs/dbraw/zinc/80/50/86/576805086.db2.gz NOCJGJFQTMNWII-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO Cc1cccn2cc(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[nH+]c12 ZINC000041284111 1291415383 /nfs/dbraw/zinc/41/53/83/1291415383.db2.gz IXZSWSYIOSMIPX-UHFFFAOYSA-N 1 2 344.758 3.386 20 5 EGBDLO CC(C)(C)SCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835154505 1293220704 /nfs/dbraw/zinc/22/07/04/1293220704.db2.gz BOFINDUUURUFGZ-UHFFFAOYSA-N 1 2 349.412 3.469 20 5 EGBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@@H]1CCCCO1 ZINC000234320143 1296180019 /nfs/dbraw/zinc/18/00/19/1296180019.db2.gz ZKNNSADIDNKLTP-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@@H]1CCCCO1 ZINC000234320143 1296180021 /nfs/dbraw/zinc/18/00/21/1296180021.db2.gz ZKNNSADIDNKLTP-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000701668412 1298188951 /nfs/dbraw/zinc/18/89/51/1298188951.db2.gz QQFFSYBUYLGSNP-GFCCVEGCSA-N 1 2 343.221 3.357 20 5 EGBDLO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000701668412 1298188956 /nfs/dbraw/zinc/18/89/56/1298188956.db2.gz QQFFSYBUYLGSNP-GFCCVEGCSA-N 1 2 343.221 3.357 20 5 EGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000758113922 1300788595 /nfs/dbraw/zinc/78/85/95/1300788595.db2.gz KOGPFORTFQSISH-UHFFFAOYSA-N 1 2 341.298 3.277 20 5 EGBDLO Cc1cc[nH+]c(N2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 ZINC000761505035 1301486127 /nfs/dbraw/zinc/48/61/27/1301486127.db2.gz CVOKHRPKEDFWNH-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CN(C)c1cc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000763286675 1301866357 /nfs/dbraw/zinc/86/63/57/1301866357.db2.gz AYFUIBHFPBOUIR-UHFFFAOYSA-N 1 2 335.747 3.066 20 5 EGBDLO CC(C)[C@@H]1C[C@@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774849869 1303867284 /nfs/dbraw/zinc/86/72/84/1303867284.db2.gz LMNJEPIMVXXURO-KGLIPLIRSA-N 1 2 329.356 3.229 20 5 EGBDLO Cc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000774879188 1303871316 /nfs/dbraw/zinc/87/13/16/1303871316.db2.gz WOIOBQPTWUMJGB-UHFFFAOYSA-N 1 2 327.340 3.370 20 5 EGBDLO Cc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000774879188 1303871320 /nfs/dbraw/zinc/87/13/20/1303871320.db2.gz WOIOBQPTWUMJGB-UHFFFAOYSA-N 1 2 327.340 3.370 20 5 EGBDLO C[NH+](C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000780087627 1304636354 /nfs/dbraw/zinc/63/63/54/1304636354.db2.gz DLPJFONLUJGMNB-INIZCTEOSA-N 1 2 332.331 3.080 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCc3sccc3[C@H]2C)c1[N+](=O)[O-] ZINC000891522304 1305077717 /nfs/dbraw/zinc/07/77/17/1305077717.db2.gz KNEYBLVDCRUYTP-SNVBAGLBSA-N 1 2 334.397 3.490 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCc3sccc3[C@H]2C)c1[N+](=O)[O-] ZINC000891522304 1305077721 /nfs/dbraw/zinc/07/77/21/1305077721.db2.gz KNEYBLVDCRUYTP-SNVBAGLBSA-N 1 2 334.397 3.490 20 5 EGBDLO O=C(NCCCNc1cccc[nH+]1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000787812406 1305799396 /nfs/dbraw/zinc/79/93/96/1305799396.db2.gz PJZFYWARNGVKSS-UHFFFAOYSA-N 1 2 349.778 3.267 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000790619647 1306364478 /nfs/dbraw/zinc/36/44/78/1306364478.db2.gz QOHLRCGKMIACMH-UHFFFAOYSA-N 1 2 330.775 3.457 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895354967 1309296843 /nfs/dbraw/zinc/29/68/43/1309296843.db2.gz UCOFTINOJJWLPR-UHFFFAOYSA-N 1 2 340.383 3.273 20 5 EGBDLO CS[C@@H](C)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000797203512 1310156795 /nfs/dbraw/zinc/15/67/95/1310156795.db2.gz FGPMRAWPOZQGTI-QWRGUYRKSA-N 1 2 335.385 3.077 20 5 EGBDLO O=C(OC[C@@H]1CCCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000802920362 1317056216 /nfs/dbraw/zinc/05/62/16/1317056216.db2.gz LAFHQHFDBARLNM-ZDUSSCGKSA-N 1 2 347.396 3.223 20 5 EGBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811082971 1318103961 /nfs/dbraw/zinc/10/39/61/1318103961.db2.gz DNXAETQHIKVPDZ-GFCCVEGCSA-N 1 2 347.198 3.429 20 5 EGBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811082971 1318103965 /nfs/dbraw/zinc/10/39/65/1318103965.db2.gz DNXAETQHIKVPDZ-GFCCVEGCSA-N 1 2 347.198 3.429 20 5 EGBDLO Cc1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000917007699 1319735914 /nfs/dbraw/zinc/73/59/14/1319735914.db2.gz FMZGSZDDJVEWII-OAHLLOKOSA-N 1 2 345.403 3.336 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCN(c2cccc[nH+]2)CC1 ZINC000820599677 1319919470 /nfs/dbraw/zinc/91/94/70/1319919470.db2.gz XICPTSTYABAPON-UHFFFAOYSA-N 1 2 336.754 3.109 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000836600521 1320509728 /nfs/dbraw/zinc/50/97/28/1320509728.db2.gz WUPWOHQPSJUQIH-LLVKDONJSA-N 1 2 348.790 3.300 20 5 EGBDLO C[N@H+](C[C@H]1CCCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000918732632 1321987114 /nfs/dbraw/zinc/98/71/14/1321987114.db2.gz PZAVKWRIPDYDEB-GFCCVEGCSA-N 1 2 337.401 3.330 20 5 EGBDLO C[N@@H+](C[C@H]1CCCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000918732632 1321987119 /nfs/dbraw/zinc/98/71/19/1321987119.db2.gz PZAVKWRIPDYDEB-GFCCVEGCSA-N 1 2 337.401 3.330 20 5 EGBDLO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000860093824 1329144059 /nfs/dbraw/zinc/14/40/59/1329144059.db2.gz ILZILUHIWLSALC-LLVKDONJSA-N 1 2 341.383 3.079 20 5 EGBDLO C[C@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000860093824 1329144064 /nfs/dbraw/zinc/14/40/64/1329144064.db2.gz ILZILUHIWLSALC-LLVKDONJSA-N 1 2 341.383 3.079 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccco3)CC2)c(C(F)F)c1 ZINC000865420009 1329694766 /nfs/dbraw/zinc/69/47/66/1329694766.db2.gz GPOBNMNZBIIXBS-UHFFFAOYSA-N 1 2 337.326 3.448 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000935032607 1330024248 /nfs/dbraw/zinc/02/42/48/1330024248.db2.gz JYIAMUGHRZRBLT-UHFFFAOYSA-N 1 2 346.412 3.338 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC001211190645 1372497352 /nfs/dbraw/zinc/49/73/52/1372497352.db2.gz XSOMMQZMNYQGAV-TXEJJXNPSA-N 1 2 346.362 3.486 20 5 EGBDLO CN1CC[NH+](Cc2ccccc2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211192580 1372497859 /nfs/dbraw/zinc/49/78/59/1372497859.db2.gz CVRBJBSTXSTUPK-UHFFFAOYSA-N 1 2 344.390 3.225 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001211289124 1372521781 /nfs/dbraw/zinc/52/17/81/1372521781.db2.gz JFYIDXMNGFFJSL-UHFFFAOYSA-N 1 2 327.384 3.479 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1C[NH+]1CCN(C)CC1 ZINC001211289525 1372521928 /nfs/dbraw/zinc/52/19/28/1372521928.db2.gz QFKHABORHTUURI-UHFFFAOYSA-N 1 2 340.427 3.394 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225626861 1375134693 /nfs/dbraw/zinc/13/46/93/1375134693.db2.gz WSVYVAKYRMAAMO-ZIAGYGMSSA-N 1 2 343.383 3.300 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225626861 1375134694 /nfs/dbraw/zinc/13/46/94/1375134694.db2.gz WSVYVAKYRMAAMO-ZIAGYGMSSA-N 1 2 343.383 3.300 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225667076 1375140658 /nfs/dbraw/zinc/14/06/58/1375140658.db2.gz NZZGWDWZRQKVPL-OAHLLOKOSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225667076 1375140660 /nfs/dbraw/zinc/14/06/60/1375140660.db2.gz NZZGWDWZRQKVPL-OAHLLOKOSA-N 1 2 346.358 3.014 20 5 EGBDLO CC/C(C)=C/C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001227211051 1375407236 /nfs/dbraw/zinc/40/72/36/1375407236.db2.gz IUSFEEIBFTZOQQ-XYOKQWHBSA-N 1 2 337.445 3.093 20 5 EGBDLO Cc1ccc(N2CCC[C@@H](Oc3cc([N+](=O)[O-])c(C)cc3O)C2)[nH+]c1 ZINC001229755672 1375887806 /nfs/dbraw/zinc/88/78/06/1375887806.db2.gz ZKEBAWAUYDPNBK-CQSZACIVSA-N 1 2 343.383 3.360 20 5 EGBDLO Cn1cnc2c1C[N@H+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232227732 1376420127 /nfs/dbraw/zinc/42/01/27/1376420127.db2.gz MSYFSEHMDRESJL-UHFFFAOYSA-N 1 2 329.407 3.075 20 5 EGBDLO Cn1cnc2c1C[N@@H+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232227732 1376420131 /nfs/dbraw/zinc/42/01/31/1376420131.db2.gz MSYFSEHMDRESJL-UHFFFAOYSA-N 1 2 329.407 3.075 20 5 EGBDLO CCN(CCn1cc[nH+]c1)c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001157460157 1380910176 /nfs/dbraw/zinc/91/01/76/1380910176.db2.gz QDLXNKVRFREPCS-UHFFFAOYSA-N 1 2 330.175 3.020 20 5 EGBDLO COc1cc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)ncc1[N+](=O)[O-] ZINC001160683795 1382170005 /nfs/dbraw/zinc/17/00/05/1382170005.db2.gz USZQDZPPKVHGMI-NSHDSACASA-N 1 2 327.344 3.128 20 5 EGBDLO O=[N+]([O-])c1cc(F)cc(Br)c1N[C@H]1C[NH+]2CCC1CC2 ZINC001163387746 1383039119 /nfs/dbraw/zinc/03/91/19/1383039119.db2.gz FSVZQYZYZAKOMO-NSHDSACASA-N 1 2 344.184 3.003 20 5 EGBDLO Cc1cc(NCc2cc[nH+]c(N)c2)c([N+](=O)[O-])cc1Br ZINC001167617982 1383690513 /nfs/dbraw/zinc/69/05/13/1383690513.db2.gz BXTZVSKHWWKQHA-UHFFFAOYSA-N 1 2 337.177 3.255 20 5 EGBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001339258131 1389961452 /nfs/dbraw/zinc/96/14/52/1389961452.db2.gz JJKZNEMCYURBDV-UHFFFAOYSA-N 1 2 348.790 3.002 20 5 EGBDLO CCC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001347413483 1391071506 /nfs/dbraw/zinc/07/15/06/1391071506.db2.gz NQAXTXAKKMCYSS-CQSZACIVSA-N 1 2 328.372 3.185 20 5 EGBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225393 214224700 /nfs/dbraw/zinc/22/47/00/214224700.db2.gz KBSUNHSYTHWPEC-UHFFFAOYSA-N 1 2 340.314 3.101 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187053116 236104769 /nfs/dbraw/zinc/10/47/69/236104769.db2.gz KYGYQRJHGAFLGA-AWEZNQCLSA-N 1 2 335.454 3.384 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187053116 236104771 /nfs/dbraw/zinc/10/47/71/236104771.db2.gz KYGYQRJHGAFLGA-AWEZNQCLSA-N 1 2 335.454 3.384 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCc4ccsc4C3)n2)c1 ZINC000132733690 223358499 /nfs/dbraw/zinc/35/84/99/223358499.db2.gz SGHCUVBUCPAZRP-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCc4ccsc4C3)n2)c1 ZINC000132733690 223358501 /nfs/dbraw/zinc/35/85/01/223358501.db2.gz SGHCUVBUCPAZRP-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCc4ccsc4C3)o2)cc1 ZINC000132808956 223363697 /nfs/dbraw/zinc/36/36/97/223363697.db2.gz VEQJJOOPNXYUNG-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCc4ccsc4C3)o2)cc1 ZINC000132808956 223363700 /nfs/dbraw/zinc/36/37/00/223363700.db2.gz VEQJJOOPNXYUNG-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO CC(=O)c1cc(NCc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000225817070 242049698 /nfs/dbraw/zinc/04/96/98/242049698.db2.gz XJNOOZNKZXPBFA-UHFFFAOYSA-N 1 2 340.383 3.405 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000110936220 220081793 /nfs/dbraw/zinc/08/17/93/220081793.db2.gz NMSNOPVTXQGKJD-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000193671735 285112142 /nfs/dbraw/zinc/11/21/42/285112142.db2.gz NXUPLNNLDYVNOF-UHFFFAOYSA-N 1 2 333.266 3.277 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000353441876 141296467 /nfs/dbraw/zinc/29/64/67/141296467.db2.gz BVICLGOWBSYMOS-HNNXBMFYSA-N 1 2 328.397 3.269 20 5 EGBDLO C[C@H]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000351476397 144266229 /nfs/dbraw/zinc/26/62/29/144266229.db2.gz LDPCBRGQDAIAAZ-KBPBESRZSA-N 1 2 342.399 3.337 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(C(F)F)CC3)n2)c1 ZINC000361703631 144351271 /nfs/dbraw/zinc/35/12/71/144351271.db2.gz WCOPLUVZGZCAPG-UHFFFAOYSA-N 1 2 338.314 3.122 20 5 EGBDLO O=C(c1csc([N+](=O)[O-])c1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000362303754 144360081 /nfs/dbraw/zinc/36/00/81/144360081.db2.gz BBKMZRCPOXYBCO-UHFFFAOYSA-N 1 2 346.343 3.366 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190954872 153168117 /nfs/dbraw/zinc/16/81/17/153168117.db2.gz ADMXODPCAGENSB-UHFFFAOYSA-N 1 2 338.367 3.079 20 5 EGBDLO COc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000327741431 154188514 /nfs/dbraw/zinc/18/85/14/154188514.db2.gz KHQDBEBKOZKCBF-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337353513 154302578 /nfs/dbraw/zinc/30/25/78/154302578.db2.gz AEXNBLVVQGEZER-AESZEHBQSA-N 1 2 347.459 3.356 20 5 EGBDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337353513 154302579 /nfs/dbraw/zinc/30/25/79/154302579.db2.gz AEXNBLVVQGEZER-AESZEHBQSA-N 1 2 347.459 3.356 20 5 EGBDLO CC(C)c1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000093358542 162006690 /nfs/dbraw/zinc/00/66/90/162006690.db2.gz RAFMXQOUQJHABD-UHFFFAOYSA-N 1 2 341.411 3.206 20 5 EGBDLO CC(C)c1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000093358542 162006692 /nfs/dbraw/zinc/00/66/92/162006692.db2.gz RAFMXQOUQJHABD-UHFFFAOYSA-N 1 2 341.411 3.206 20 5 EGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000344010145 164082601 /nfs/dbraw/zinc/08/26/01/164082601.db2.gz BDHCLGUQFKTIQO-UHFFFAOYSA-N 1 2 348.428 3.304 20 5 EGBDLO Cc1noc([C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000345335394 164205134 /nfs/dbraw/zinc/20/51/34/164205134.db2.gz RMTDDFHVAFUQKH-BDJLRTHQSA-N 1 2 346.387 3.105 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)cn2c1 ZINC000351650971 165116002 /nfs/dbraw/zinc/11/60/02/165116002.db2.gz OMCVYVDSRCFHTO-UHFFFAOYSA-N 1 2 343.318 3.012 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000352407545 165384585 /nfs/dbraw/zinc/38/45/85/165384585.db2.gz VGGPBVPHYCRMFP-CQSZACIVSA-N 1 2 346.456 3.239 20 5 EGBDLO Cc1cc(Nc2c([N+](=O)[O-])ncn2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000355580965 166250029 /nfs/dbraw/zinc/25/00/29/166250029.db2.gz ZPHQDUHHOZLVLT-LBPRGKRZSA-N 1 2 330.392 3.154 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CCC2 ZINC000366684232 168128663 /nfs/dbraw/zinc/12/86/63/168128663.db2.gz DIMDKOKGAIMGAO-NSHDSACASA-N 1 2 348.790 3.061 20 5 EGBDLO Cc1nc(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2c([nH+]1)CCCC2 ZINC000278016621 267924931 /nfs/dbraw/zinc/92/49/31/267924931.db2.gz OUSCCGFRJDSPAJ-UHFFFAOYSA-N 1 2 338.371 3.060 20 5 EGBDLO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nccs1 ZINC000283929331 275761222 /nfs/dbraw/zinc/76/12/22/275761222.db2.gz CPBVAECPVWLMIO-AWEZNQCLSA-N 1 2 336.373 3.375 20 5 EGBDLO Cc1csc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000283956571 275763672 /nfs/dbraw/zinc/76/36/72/275763672.db2.gz DTWDJLIACFVVQS-UHFFFAOYSA-N 1 2 336.373 3.293 20 5 EGBDLO CCOC(=O)CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285842351 275918569 /nfs/dbraw/zinc/91/85/69/275918569.db2.gz CKCWXXAFUFWEAL-UHFFFAOYSA-N 1 2 342.342 3.038 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000289636156 276370105 /nfs/dbraw/zinc/37/01/05/276370105.db2.gz SDBXSMWBKGJRBU-WBVHZDCISA-N 1 2 343.383 3.270 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000289636156 276370106 /nfs/dbraw/zinc/37/01/06/276370106.db2.gz SDBXSMWBKGJRBU-WBVHZDCISA-N 1 2 343.383 3.270 20 5 EGBDLO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289701372 276380535 /nfs/dbraw/zinc/38/05/35/276380535.db2.gz IOIITXZPXKRNFW-UWVGGRQHSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289701372 276380536 /nfs/dbraw/zinc/38/05/36/276380536.db2.gz IOIITXZPXKRNFW-UWVGGRQHSA-N 1 2 333.215 3.494 20 5 EGBDLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130310636 280220119 /nfs/dbraw/zinc/22/01/19/280220119.db2.gz JZBZJXDIKDXHNP-HNNXBMFYSA-N 1 2 328.372 3.011 20 5 EGBDLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130310636 280220120 /nfs/dbraw/zinc/22/01/20/280220120.db2.gz JZBZJXDIKDXHNP-HNNXBMFYSA-N 1 2 328.372 3.011 20 5 EGBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120203298 304518741 /nfs/dbraw/zinc/51/87/41/304518741.db2.gz QNSCHAHMJOISKJ-LBPRGKRZSA-N 1 2 334.763 3.339 20 5 EGBDLO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000255898161 308062195 /nfs/dbraw/zinc/06/21/95/308062195.db2.gz KYZQKEURTNAHFJ-YFHOEESVSA-N 1 2 348.362 3.110 20 5 EGBDLO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000294667414 308243855 /nfs/dbraw/zinc/24/38/55/308243855.db2.gz HODRMOLMNRLLMK-ZJUUUORDSA-N 1 2 336.417 3.192 20 5 EGBDLO CC[C@H](C)[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000294754835 308253536 /nfs/dbraw/zinc/25/35/36/308253536.db2.gz INRUVVVQEQVUTC-JQFCIGGWSA-N 1 2 346.431 3.068 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296877662 308476520 /nfs/dbraw/zinc/47/65/20/308476520.db2.gz MZAPWXYVLPELQU-AWEZNQCLSA-N 1 2 343.387 3.252 20 5 EGBDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298863578 308645313 /nfs/dbraw/zinc/64/53/13/308645313.db2.gz UAELQHJLENJMDG-UHFFFAOYSA-N 1 2 339.355 3.251 20 5 EGBDLO CCOC1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301098534 308688163 /nfs/dbraw/zinc/68/81/63/308688163.db2.gz JSCJQTIQQCGEBG-UHFFFAOYSA-N 1 2 342.399 3.366 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000301252158 308693648 /nfs/dbraw/zinc/69/36/48/308693648.db2.gz CMDISURIWHZAJT-CQSZACIVSA-N 1 2 336.342 3.291 20 5 EGBDLO CC(C)Oc1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000412394208 308984534 /nfs/dbraw/zinc/98/45/34/308984534.db2.gz FQDZDIGYMGTRJX-YPMHNXCESA-N 1 2 344.371 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]4C[C@H](O)CC[C@H]4C3)c2c1 ZINC000413308650 309026155 /nfs/dbraw/zinc/02/61/55/309026155.db2.gz ADDQMNDCZYHJNQ-IJEWVQPXSA-N 1 2 327.384 3.130 20 5 EGBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417386443 309203953 /nfs/dbraw/zinc/20/39/53/309203953.db2.gz YLCXUBPTQHHWOI-SJORKVTESA-N 1 2 346.431 3.068 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CC)O1 ZINC000420955201 309304115 /nfs/dbraw/zinc/30/41/15/309304115.db2.gz KZANTXMAGHRVGE-GASCZTMLSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CC)O1 ZINC000420955201 309304116 /nfs/dbraw/zinc/30/41/16/309304116.db2.gz KZANTXMAGHRVGE-GASCZTMLSA-N 1 2 346.387 3.034 20 5 EGBDLO C[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448665089 310011431 /nfs/dbraw/zinc/01/14/31/310011431.db2.gz PJZYNBFFWKPGQK-JSGCOSHPSA-N 1 2 328.372 3.089 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449416050 310060069 /nfs/dbraw/zinc/06/00/69/310060069.db2.gz RLTREFMWJVBGHL-QKIRZYONSA-N 1 2 326.400 3.425 20 5 EGBDLO CCC[C@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449868984 310091577 /nfs/dbraw/zinc/09/15/77/310091577.db2.gz FZGZYEHGGBLENN-OAHLLOKOSA-N 1 2 346.412 3.096 20 5 EGBDLO CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449885212 310092355 /nfs/dbraw/zinc/09/23/55/310092355.db2.gz SBAQREZRRWKITH-CQSZACIVSA-N 1 2 342.399 3.433 20 5 EGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000450200275 310108359 /nfs/dbraw/zinc/10/83/59/310108359.db2.gz IQIMMESVEUSIFA-KBPBESRZSA-N 1 2 342.399 3.289 20 5 EGBDLO CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450739033 310140285 /nfs/dbraw/zinc/14/02/85/310140285.db2.gz PVLYLZFCTLXYJF-TZMCWYRMSA-N 1 2 328.372 3.041 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000450769852 310141798 /nfs/dbraw/zinc/14/17/98/310141798.db2.gz YBKODWDKVXLZOA-CALCHBBNSA-N 1 2 345.443 3.053 20 5 EGBDLO CSc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000452340065 310224141 /nfs/dbraw/zinc/22/41/41/310224141.db2.gz HKOOQJDFOIJZST-UHFFFAOYSA-N 1 2 332.385 3.102 20 5 EGBDLO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc(O)c3[N+](=O)[O-])ccc21 ZINC000456327131 310398623 /nfs/dbraw/zinc/39/86/23/310398623.db2.gz RBWQACRMKBLBNJ-OAHLLOKOSA-N 1 2 341.367 3.102 20 5 EGBDLO C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC=CCC1 ZINC000458308794 310497595 /nfs/dbraw/zinc/49/75/95/310497595.db2.gz JCQLSRKWYKWXFD-KRWDZBQOSA-N 1 2 326.356 3.009 20 5 EGBDLO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000459099186 310533503 /nfs/dbraw/zinc/53/35/03/310533503.db2.gz FXLGFOXXXRUDDV-FZMZJTMJSA-N 1 2 343.387 3.032 20 5 EGBDLO CCc1cc(NCC2(C(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000480494695 310895367 /nfs/dbraw/zinc/89/53/67/310895367.db2.gz GJBJYIFAVGZQNG-UHFFFAOYSA-N 1 2 348.353 3.493 20 5 EGBDLO CCn1cc[nH+]c1/C=C\C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000492461465 311253643 /nfs/dbraw/zinc/25/36/43/311253643.db2.gz RTBKPBUHVXOWNT-KTKRTIGZSA-N 1 2 340.383 3.016 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536012358 314087817 /nfs/dbraw/zinc/08/78/17/314087817.db2.gz YEQHYNASOMMODL-UHFFFAOYSA-N 1 2 346.412 3.006 20 5 EGBDLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000539276658 314304087 /nfs/dbraw/zinc/30/40/87/314304087.db2.gz ICPNMNZXVQHDJQ-JTQLQIEISA-N 1 2 335.385 3.079 20 5 EGBDLO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1Cl ZINC000556078125 315414252 /nfs/dbraw/zinc/41/42/52/315414252.db2.gz VQDJEPHJZAMKJW-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000123072350 454599022 /nfs/dbraw/zinc/59/90/22/454599022.db2.gz YIMCCUSRTJJHIY-QWRGUYRKSA-N 1 2 325.796 3.165 20 5 EGBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000123072350 454599027 /nfs/dbraw/zinc/59/90/27/454599027.db2.gz YIMCCUSRTJJHIY-QWRGUYRKSA-N 1 2 325.796 3.165 20 5 EGBDLO CN(CCc1ccccc1[N+](=O)[O-])c1[nH+]c2cccc(F)c2n1C ZINC000561341443 315757635 /nfs/dbraw/zinc/75/76/35/315757635.db2.gz UVLGLSDEZNMXBO-UHFFFAOYSA-N 1 2 328.347 3.300 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000158014506 455259867 /nfs/dbraw/zinc/25/98/67/455259867.db2.gz MBELZCITMQFDFO-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cccc(F)c2C1 ZINC000158014506 455259870 /nfs/dbraw/zinc/25/98/70/455259870.db2.gz MBELZCITMQFDFO-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO CC[N@H+](CCCNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009920113 453266026 /nfs/dbraw/zinc/26/60/26/453266026.db2.gz GOYDVQBYYWPSQD-UHFFFAOYSA-N 1 2 341.411 3.170 20 5 EGBDLO CC[N@@H+](CCCNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009920113 453266034 /nfs/dbraw/zinc/26/60/34/453266034.db2.gz GOYDVQBYYWPSQD-UHFFFAOYSA-N 1 2 341.411 3.170 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000025800994 453786490 /nfs/dbraw/zinc/78/64/90/453786490.db2.gz ICEJABATHCIZSA-UHFFFAOYSA-N 1 2 331.347 3.195 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000025800994 453786493 /nfs/dbraw/zinc/78/64/93/453786493.db2.gz ICEJABATHCIZSA-UHFFFAOYSA-N 1 2 331.347 3.195 20 5 EGBDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348621 453797833 /nfs/dbraw/zinc/79/78/33/453797833.db2.gz HHMUIQRIFTZZDT-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348621 453797835 /nfs/dbraw/zinc/79/78/35/453797835.db2.gz HHMUIQRIFTZZDT-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c(Cl)c1 ZINC000026717258 453804280 /nfs/dbraw/zinc/80/42/80/453804280.db2.gz QRUSRLJRZVQLEX-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO O=[N+]([O-])c1c(NCc2ccc(-n3cc[nH+]c3)cc2)nc2sccn21 ZINC000066372343 453840070 /nfs/dbraw/zinc/84/00/70/453840070.db2.gz HEJZVJMPMCPIQQ-UHFFFAOYSA-N 1 2 340.368 3.102 20 5 EGBDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161954 453865746 /nfs/dbraw/zinc/86/57/46/453865746.db2.gz GUCBXHFGOMPWMJ-ZFWWWQNUSA-N 1 2 342.399 3.431 20 5 EGBDLO COc1cc(C[N@H+](CCO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000184403808 455376653 /nfs/dbraw/zinc/37/66/53/455376653.db2.gz OTHMCAOOAIPRNZ-UHFFFAOYSA-N 1 2 348.374 3.045 20 5 EGBDLO COc1cc(C[N@@H+](CCO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000184403808 455376656 /nfs/dbraw/zinc/37/66/56/455376656.db2.gz OTHMCAOOAIPRNZ-UHFFFAOYSA-N 1 2 348.374 3.045 20 5 EGBDLO COc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1C ZINC000190789425 455382904 /nfs/dbraw/zinc/38/29/04/455382904.db2.gz DXYNDIOMVKFQDQ-ZDUSSCGKSA-N 1 2 344.371 3.002 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c1 ZINC000088701083 454117228 /nfs/dbraw/zinc/11/72/28/454117228.db2.gz QWYDLKXWPVGSNL-CQSZACIVSA-N 1 2 342.399 3.135 20 5 EGBDLO CNc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000069581215 454121545 /nfs/dbraw/zinc/12/15/45/454121545.db2.gz QMOHDDTZFDSFCR-UHFFFAOYSA-N 1 2 337.339 3.075 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000045313058 454151644 /nfs/dbraw/zinc/15/16/44/454151644.db2.gz JZBVENIYGGMPJT-QWRGUYRKSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000045313058 454151647 /nfs/dbraw/zinc/15/16/47/454151647.db2.gz JZBVENIYGGMPJT-QWRGUYRKSA-N 1 2 345.321 3.196 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000070793836 454176772 /nfs/dbraw/zinc/17/67/72/454176772.db2.gz YLTMYNXCPPAVJQ-SFHVURJKSA-N 1 2 327.384 3.080 20 5 EGBDLO CN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000130347050 454191776 /nfs/dbraw/zinc/19/17/76/454191776.db2.gz UUKIXPREPNQLGM-UHFFFAOYSA-N 1 2 339.395 3.222 20 5 EGBDLO CN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000130347050 454191781 /nfs/dbraw/zinc/19/17/81/454191781.db2.gz UUKIXPREPNQLGM-UHFFFAOYSA-N 1 2 339.395 3.222 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000119504950 454199745 /nfs/dbraw/zinc/19/97/45/454199745.db2.gz PRTHAMUNOJBIFN-GFCCVEGCSA-N 1 2 333.413 3.424 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000119504950 454199751 /nfs/dbraw/zinc/19/97/51/454199751.db2.gz PRTHAMUNOJBIFN-GFCCVEGCSA-N 1 2 333.413 3.424 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000130777537 454217537 /nfs/dbraw/zinc/21/75/37/454217537.db2.gz LGRRGQBXJZGQBZ-QGZVFWFLSA-N 1 2 332.787 3.340 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000130777537 454217542 /nfs/dbraw/zinc/21/75/42/454217542.db2.gz LGRRGQBXJZGQBZ-QGZVFWFLSA-N 1 2 332.787 3.340 20 5 EGBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130954355 454228167 /nfs/dbraw/zinc/22/81/67/454228167.db2.gz NLDZDFWITPRIBX-HUUCEWRRSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130954355 454228169 /nfs/dbraw/zinc/22/81/69/454228169.db2.gz NLDZDFWITPRIBX-HUUCEWRRSA-N 1 2 345.443 3.064 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000119978977 454243746 /nfs/dbraw/zinc/24/37/46/454243746.db2.gz YTLKXBUROQFZFS-CYBMUJFWSA-N 1 2 343.387 3.346 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078651020 454292504 /nfs/dbraw/zinc/29/25/04/454292504.db2.gz SCZQNRNSKFJGBZ-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000078674546 454296711 /nfs/dbraw/zinc/29/67/11/454296711.db2.gz UPVYFQLCXTWEDV-UHFFFAOYSA-N 1 2 341.415 3.128 20 5 EGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)S1 ZINC000072769931 454338286 /nfs/dbraw/zinc/33/82/86/454338286.db2.gz LVRXCSAUKJMTDA-AOOOYVTPSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)S1 ZINC000072769931 454338295 /nfs/dbraw/zinc/33/82/95/454338295.db2.gz LVRXCSAUKJMTDA-AOOOYVTPSA-N 1 2 343.836 3.013 20 5 EGBDLO CNC(=O)c1ccc(Nc2ccc([NH+](C)C)c(C)c2)c([N+](=O)[O-])c1 ZINC000064914193 454515906 /nfs/dbraw/zinc/51/59/06/454515906.db2.gz AXVLBGJHWYYVKI-UHFFFAOYSA-N 1 2 328.372 3.072 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000123008233 454590762 /nfs/dbraw/zinc/59/07/62/454590762.db2.gz FNGQKMBFWZWPIH-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)o1 ZINC000080540661 454596386 /nfs/dbraw/zinc/59/63/86/454596386.db2.gz IFMRGSVQVLCBND-KRWDZBQOSA-N 1 2 345.399 3.290 20 5 EGBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C)[NH+]2CCOCC2)o1 ZINC000080540656 454596509 /nfs/dbraw/zinc/59/65/09/454596509.db2.gz IFMRGSVQVLCBND-QGZVFWFLSA-N 1 2 345.399 3.290 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126437456 454893859 /nfs/dbraw/zinc/89/38/59/454893859.db2.gz LBVQHJWQPVIDGV-ABAIWWIYSA-N 1 2 348.790 3.168 20 5 EGBDLO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000127062641 454934914 /nfs/dbraw/zinc/93/49/14/454934914.db2.gz YXQCGQNSUOMZOT-CJNGLKHVSA-N 1 2 343.387 3.215 20 5 EGBDLO Cc1c(C[NH+]2CCN(c3ncccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000155928699 455062978 /nfs/dbraw/zinc/06/29/78/455062978.db2.gz LYBHEIXRYDFNCO-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)c2ncc([N+](=O)[O-])cc2Cl)c1C ZINC000172409335 455151820 /nfs/dbraw/zinc/15/18/20/455151820.db2.gz WXLJAIGXAUIQCE-UHFFFAOYSA-N 1 2 336.779 3.300 20 5 EGBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245435627 455298319 /nfs/dbraw/zinc/29/83/19/455298319.db2.gz QOIFDXLOIAIEQG-SCLBCKFNSA-N 1 2 325.368 3.226 20 5 EGBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245435627 455298322 /nfs/dbraw/zinc/29/83/22/455298322.db2.gz QOIFDXLOIAIEQG-SCLBCKFNSA-N 1 2 325.368 3.226 20 5 EGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncc([N+](=O)[O-])cc1Cl ZINC000265586657 455345480 /nfs/dbraw/zinc/34/54/80/455345480.db2.gz XMIOJSCRQMFVJF-UHFFFAOYSA-N 1 2 349.700 3.038 20 5 EGBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1ccco1 ZINC000184576355 455406718 /nfs/dbraw/zinc/40/67/18/455406718.db2.gz JPGLDESEXSLKBU-OAHLLOKOSA-N 1 2 334.372 3.452 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000192251149 455582000 /nfs/dbraw/zinc/58/20/00/455582000.db2.gz SVLDMKYPMWSPSW-UHFFFAOYSA-N 1 2 348.378 3.045 20 5 EGBDLO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@]1=O ZINC000277725683 455646406 /nfs/dbraw/zinc/64/64/06/455646406.db2.gz STLQJWUHSUFCJZ-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@]1=O ZINC000277725683 455646409 /nfs/dbraw/zinc/64/64/09/455646409.db2.gz STLQJWUHSUFCJZ-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000252173609 455802691 /nfs/dbraw/zinc/80/26/91/455802691.db2.gz OMVAIQJAAKJIPP-WDEREUQCSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000252173609 455802695 /nfs/dbraw/zinc/80/26/95/455802695.db2.gz OMVAIQJAAKJIPP-WDEREUQCSA-N 1 2 325.796 3.307 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757491 456062206 /nfs/dbraw/zinc/06/22/06/456062206.db2.gz BQVMKIBBOJAABY-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757491 456062211 /nfs/dbraw/zinc/06/22/11/456062211.db2.gz BQVMKIBBOJAABY-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000301434923 456114674 /nfs/dbraw/zinc/11/46/74/456114674.db2.gz IYZJDSHXVHOOHO-MRXNPFEDSA-N 1 2 347.440 3.450 20 5 EGBDLO NC(=O)C1CC[NH+](c2ccc(Nc3sccc3[N+](=O)[O-])cc2)CC1 ZINC000302002312 456267496 /nfs/dbraw/zinc/26/74/96/456267496.db2.gz SLDXCBUAYWDZNV-UHFFFAOYSA-N 1 2 346.412 3.102 20 5 EGBDLO COc1cc(C[N@@H+]2CCOc3ccc(C)cc3C2)c([N+](=O)[O-])cc1F ZINC000352832011 456345756 /nfs/dbraw/zinc/34/57/56/456345756.db2.gz NNUWBASNXDLVSC-UHFFFAOYSA-N 1 2 346.358 3.446 20 5 EGBDLO COc1cc(C[N@H+]2CCOc3ccc(C)cc3C2)c([N+](=O)[O-])cc1F ZINC000352832011 456345758 /nfs/dbraw/zinc/34/57/58/456345758.db2.gz NNUWBASNXDLVSC-UHFFFAOYSA-N 1 2 346.358 3.446 20 5 EGBDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000348263180 456580297 /nfs/dbraw/zinc/58/02/97/456580297.db2.gz UHBXAWNXUKBOCO-VNHYZAJKSA-N 1 2 342.399 3.335 20 5 EGBDLO Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC000340769940 456677002 /nfs/dbraw/zinc/67/70/02/456677002.db2.gz CJEGBLJYSUYZBW-UHFFFAOYSA-N 1 2 329.404 3.192 20 5 EGBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC000277413760 456816899 /nfs/dbraw/zinc/81/68/99/456816899.db2.gz LVSKLCLAJCVYDQ-QWRGUYRKSA-N 1 2 333.392 3.086 20 5 EGBDLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@]1=O ZINC000277451742 456830911 /nfs/dbraw/zinc/83/09/11/456830911.db2.gz JXOHAOVUZOFMJA-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@]1=O ZINC000277451742 456830917 /nfs/dbraw/zinc/83/09/17/456830917.db2.gz JXOHAOVUZOFMJA-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO CC(C)([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000292138322 456865470 /nfs/dbraw/zinc/86/54/70/456865470.db2.gz MEVDUMGSGYLROP-UHFFFAOYSA-N 1 2 341.415 3.424 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000339064907 456923438 /nfs/dbraw/zinc/92/34/38/456923438.db2.gz XFFKFKIPGCQKAT-UHFFFAOYSA-N 1 2 327.384 3.150 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000339358705 457065429 /nfs/dbraw/zinc/06/54/29/457065429.db2.gz FJFQQMUOTKPHKJ-UHFFFAOYSA-N 1 2 342.399 3.074 20 5 EGBDLO O=C(C[NH+]1CCC(C(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000362735844 457070338 /nfs/dbraw/zinc/07/03/38/457070338.db2.gz REVUGNPZEXZFFS-UHFFFAOYSA-N 1 2 347.749 3.164 20 5 EGBDLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000342059194 457084805 /nfs/dbraw/zinc/08/48/05/457084805.db2.gz IDGBOSOCFSDMTR-CYBMUJFWSA-N 1 2 336.351 3.272 20 5 EGBDLO Cc1nc(N2CCc3c([nH+]cn3-c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000349901770 457100089 /nfs/dbraw/zinc/10/00/89/457100089.db2.gz DGLMCFSYBFYALX-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000342199742 457164400 /nfs/dbraw/zinc/16/44/00/457164400.db2.gz WMYWHTSPYHGLIJ-UHFFFAOYSA-N 1 2 341.198 3.414 20 5 EGBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000356910407 457213632 /nfs/dbraw/zinc/21/36/32/457213632.db2.gz DAKUVMKWFGIEQD-SNVBAGLBSA-N 1 2 328.328 3.397 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369738378 457376196 /nfs/dbraw/zinc/37/61/96/457376196.db2.gz XDCZBXIUFSPYQG-LLVKDONJSA-N 1 2 348.790 3.002 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccoc1 ZINC000342634094 457418254 /nfs/dbraw/zinc/41/82/54/457418254.db2.gz OFQAYERYEUMYAZ-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccoc1 ZINC000342634094 457418258 /nfs/dbraw/zinc/41/82/58/457418258.db2.gz OFQAYERYEUMYAZ-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402595 457536052 /nfs/dbraw/zinc/53/60/52/457536052.db2.gz IVEUQDKMENLJMV-MFKMUULPSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402595 457536059 /nfs/dbraw/zinc/53/60/59/457536059.db2.gz IVEUQDKMENLJMV-MFKMUULPSA-N 1 2 343.221 3.093 20 5 EGBDLO Cc1ccoc1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000426285211 457800430 /nfs/dbraw/zinc/80/04/30/457800430.db2.gz GJVWOKVTQZWEOB-MRXNPFEDSA-N 1 2 326.356 3.109 20 5 EGBDLO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccnc1 ZINC000444672681 457934714 /nfs/dbraw/zinc/93/47/14/457934714.db2.gz ZJGBUQIYZUIANN-UHFFFAOYSA-N 1 2 325.372 3.277 20 5 EGBDLO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccnc1 ZINC000444672681 457934720 /nfs/dbraw/zinc/93/47/20/457934720.db2.gz ZJGBUQIYZUIANN-UHFFFAOYSA-N 1 2 325.372 3.277 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444696774 457944434 /nfs/dbraw/zinc/94/44/34/457944434.db2.gz PHFNQKFXUXFUAH-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444696774 457944439 /nfs/dbraw/zinc/94/44/39/457944439.db2.gz PHFNQKFXUXFUAH-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000428948045 458239337 /nfs/dbraw/zinc/23/93/37/458239337.db2.gz USFXNSCDDAEFDH-CYBMUJFWSA-N 1 2 348.321 3.015 20 5 EGBDLO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000428948045 458239344 /nfs/dbraw/zinc/23/93/44/458239344.db2.gz USFXNSCDDAEFDH-CYBMUJFWSA-N 1 2 348.321 3.015 20 5 EGBDLO CC[C@@]1(C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817832 458347746 /nfs/dbraw/zinc/34/77/46/458347746.db2.gz QBPSQHHNQGQCFB-SFHVURJKSA-N 1 2 333.432 3.053 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437828783 458498228 /nfs/dbraw/zinc/49/82/28/458498228.db2.gz LXRXCOLXNWVONX-MRXNPFEDSA-N 1 2 339.395 3.159 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437828783 458498231 /nfs/dbraw/zinc/49/82/31/458498231.db2.gz LXRXCOLXNWVONX-MRXNPFEDSA-N 1 2 339.395 3.159 20 5 EGBDLO CCC(=O)c1ccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000373552440 458530206 /nfs/dbraw/zinc/53/02/06/458530206.db2.gz RFNJJMSAXPFRJV-SUMWQHHRSA-N 1 2 342.399 3.472 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456403362 458665787 /nfs/dbraw/zinc/66/57/87/458665787.db2.gz WNYFVMSVKOCHSQ-SUNKGSAMSA-N 1 2 346.412 3.094 20 5 EGBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000595286395 459266637 /nfs/dbraw/zinc/26/66/37/459266637.db2.gz GZHJVLGMRDKAQF-AWEZNQCLSA-N 1 2 332.331 3.006 20 5 EGBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000595286395 459266641 /nfs/dbraw/zinc/26/66/41/459266641.db2.gz GZHJVLGMRDKAQF-AWEZNQCLSA-N 1 2 332.331 3.006 20 5 EGBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595287768 459267420 /nfs/dbraw/zinc/26/74/20/459267420.db2.gz HZPZMWKLWAQOKT-CYBMUJFWSA-N 1 2 347.371 3.246 20 5 EGBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595287768 459267424 /nfs/dbraw/zinc/26/74/24/459267424.db2.gz HZPZMWKLWAQOKT-CYBMUJFWSA-N 1 2 347.371 3.246 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](C2CCC2)C1 ZINC000591125705 459318594 /nfs/dbraw/zinc/31/85/94/459318594.db2.gz LJKYUDXRVYTGKG-HNNXBMFYSA-N 1 2 340.383 3.043 20 5 EGBDLO COC(=O)C1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591146503 459321429 /nfs/dbraw/zinc/32/14/29/459321429.db2.gz FBOOKMDBJKIXFA-UHFFFAOYSA-N 1 2 329.356 3.287 20 5 EGBDLO COC1(C(F)(F)F)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595551459 459344483 /nfs/dbraw/zinc/34/44/83/459344483.db2.gz MCVZBJZOWYRPNM-UHFFFAOYSA-N 1 2 336.285 3.277 20 5 EGBDLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000560469109 459353634 /nfs/dbraw/zinc/35/36/34/459353634.db2.gz YJVVJRSWEDFFRE-LBPRGKRZSA-N 1 2 336.338 3.256 20 5 EGBDLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000560469109 459353637 /nfs/dbraw/zinc/35/36/37/459353637.db2.gz YJVVJRSWEDFFRE-LBPRGKRZSA-N 1 2 336.338 3.256 20 5 EGBDLO O=[N+]([O-])c1cccc(Br)c1NCCCn1cc[nH+]c1 ZINC000596051461 459502940 /nfs/dbraw/zinc/50/29/40/459502940.db2.gz RTRIUPZJCDQQIS-UHFFFAOYSA-N 1 2 325.166 3.056 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596166047 459544974 /nfs/dbraw/zinc/54/49/74/459544974.db2.gz OXTZXPOPZZBCTE-UHFFFAOYSA-N 1 2 328.294 3.337 20 5 EGBDLO Cc1cc(NCC2CC[NH+](CC(F)F)CC2)c(F)cc1[N+](=O)[O-] ZINC000596239593 459571682 /nfs/dbraw/zinc/57/16/82/459571682.db2.gz SQQPXLHHPYBRNY-UHFFFAOYSA-N 1 2 331.338 3.431 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(NCc2ccc[nH+]c2N2CCCC2)c(F)c1 ZINC000596358661 459607531 /nfs/dbraw/zinc/60/75/31/459607531.db2.gz ZDBSQIYUTFDDRX-UHFFFAOYSA-N 1 2 334.326 3.480 20 5 EGBDLO Cc1cc(NCC2(C)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000499678448 459646238 /nfs/dbraw/zinc/64/62/38/459646238.db2.gz ATLKCIYQGSQDLG-UHFFFAOYSA-N 1 2 342.399 3.011 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCOCC3(CCCC3)C2)c(F)c1 ZINC000586769755 459869724 /nfs/dbraw/zinc/86/97/24/459869724.db2.gz ONAROWLLUFIXBM-UHFFFAOYSA-N 1 2 326.343 3.266 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCOCC3(CCCC3)C2)c(F)c1 ZINC000586769755 459869726 /nfs/dbraw/zinc/86/97/26/459869726.db2.gz ONAROWLLUFIXBM-UHFFFAOYSA-N 1 2 326.343 3.266 20 5 EGBDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602450810 459945554 /nfs/dbraw/zinc/94/55/54/459945554.db2.gz YTKLLLIXSHSMGU-UHFFFAOYSA-N 1 2 342.321 3.369 20 5 EGBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602450810 459945556 /nfs/dbraw/zinc/94/55/56/459945556.db2.gz YTKLLLIXSHSMGU-UHFFFAOYSA-N 1 2 342.321 3.369 20 5 EGBDLO CCC1(O)CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602473364 459955406 /nfs/dbraw/zinc/95/54/06/459955406.db2.gz GIQWTRDROKOSQQ-UHFFFAOYSA-N 1 2 349.250 3.156 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000589300736 460067808 /nfs/dbraw/zinc/06/78/08/460067808.db2.gz CEYIXIDSPGRUSN-DOTOQJQBSA-N 1 2 342.399 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000589300736 460067809 /nfs/dbraw/zinc/06/78/09/460067809.db2.gz CEYIXIDSPGRUSN-DOTOQJQBSA-N 1 2 342.399 3.005 20 5 EGBDLO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160418 460073110 /nfs/dbraw/zinc/07/31/10/460073110.db2.gz MPKQMSNJHVCPNI-ZFWWWQNUSA-N 1 2 347.440 3.358 20 5 EGBDLO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160418 460073117 /nfs/dbraw/zinc/07/31/17/460073117.db2.gz MPKQMSNJHVCPNI-ZFWWWQNUSA-N 1 2 347.440 3.358 20 5 EGBDLO Cc1cc2ccccc2[nH+]c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618682573 460124036 /nfs/dbraw/zinc/12/40/36/460124036.db2.gz QKJGXKWSNJXDKR-UHFFFAOYSA-N 1 2 337.383 3.489 20 5 EGBDLO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410330 460144924 /nfs/dbraw/zinc/14/49/24/460144924.db2.gz NVMAZIFOQNVBJS-RISCZKNCSA-N 1 2 348.321 3.015 20 5 EGBDLO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410330 460144929 /nfs/dbraw/zinc/14/49/29/460144929.db2.gz NVMAZIFOQNVBJS-RISCZKNCSA-N 1 2 348.321 3.015 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614923416 460245859 /nfs/dbraw/zinc/24/58/59/460245859.db2.gz ACVVGUFROMJOHC-CQSZACIVSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614923416 460245863 /nfs/dbraw/zinc/24/58/63/460245863.db2.gz ACVVGUFROMJOHC-CQSZACIVSA-N 1 2 348.321 3.147 20 5 EGBDLO O=[N+]([O-])c1cncc(Cl)c1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000603416907 460301647 /nfs/dbraw/zinc/30/16/47/460301647.db2.gz VRJGMWSWLBITEJ-KBPBESRZSA-N 1 2 344.802 3.106 20 5 EGBDLO O=[N+]([O-])c1cncc(Cl)c1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000603416907 460301651 /nfs/dbraw/zinc/30/16/51/460301651.db2.gz VRJGMWSWLBITEJ-KBPBESRZSA-N 1 2 344.802 3.106 20 5 EGBDLO C[N@H+](Cc1cccc(F)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252079 460317107 /nfs/dbraw/zinc/31/71/07/460317107.db2.gz KWIYCXYTUQEPGR-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252079 460317112 /nfs/dbraw/zinc/31/71/12/460317112.db2.gz KWIYCXYTUQEPGR-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccn2cc[nH+]c2c1 ZINC000619578268 460387876 /nfs/dbraw/zinc/38/78/76/460387876.db2.gz JCSSCFKISKGFGU-UHFFFAOYSA-N 1 2 339.355 3.073 20 5 EGBDLO Cc1occc1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560183 460398276 /nfs/dbraw/zinc/39/82/76/460398276.db2.gz AHZSXLLAIRTDAE-MRXNPFEDSA-N 1 2 326.356 3.109 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000611560867 460400275 /nfs/dbraw/zinc/40/02/75/460400275.db2.gz UJMPUSOSXRKVMT-JSGCOSHPSA-N 1 2 336.342 3.195 20 5 EGBDLO COc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000190570884 533798439 /nfs/dbraw/zinc/79/84/39/533798439.db2.gz PMPKLCAWOAXFCJ-UHFFFAOYSA-N 1 2 326.368 3.132 20 5 EGBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)O1 ZINC000153163198 533960623 /nfs/dbraw/zinc/96/06/23/533960623.db2.gz QWSFEGVLERSHMU-LBPRGKRZSA-N 1 2 331.372 3.249 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)O1 ZINC000153163198 533960633 /nfs/dbraw/zinc/96/06/33/533960633.db2.gz QWSFEGVLERSHMU-LBPRGKRZSA-N 1 2 331.372 3.249 20 5 EGBDLO Cc1cc(NC(=O)NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000153754817 533965166 /nfs/dbraw/zinc/96/51/66/533965166.db2.gz YCBSBLRNSUSPOH-UHFFFAOYSA-N 1 2 343.387 3.312 20 5 EGBDLO COC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000130897018 534100186 /nfs/dbraw/zinc/10/01/86/534100186.db2.gz JVGAXWVZDBFUMQ-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000130897018 534100194 /nfs/dbraw/zinc/10/01/94/534100194.db2.gz JVGAXWVZDBFUMQ-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1coc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130909483 534314906 /nfs/dbraw/zinc/31/49/06/534314906.db2.gz WFIHIRQNYSKSOS-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1coc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000130909483 534314908 /nfs/dbraw/zinc/31/49/08/534314908.db2.gz WFIHIRQNYSKSOS-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000174294335 534686161 /nfs/dbraw/zinc/68/61/61/534686161.db2.gz FZOMRJMLJJVUCP-ZFWWWQNUSA-N 1 2 340.383 3.185 20 5 EGBDLO COc1ccc(F)c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000361737757 536601414 /nfs/dbraw/zinc/60/14/14/536601414.db2.gz ZTKQICZAUMHZEC-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1Cn1c2ccccc2[nH+]c1NCCO ZINC000734834441 575563426 /nfs/dbraw/zinc/56/34/26/575563426.db2.gz PMFZFPDGBGZVRG-UHFFFAOYSA-N 1 2 346.774 3.050 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2cc(F)ccc2[N+](=O)[O-])c1C ZINC000736803279 576034653 /nfs/dbraw/zinc/03/46/53/576034653.db2.gz NINPFOFAWBTENS-UHFFFAOYSA-N 1 2 334.303 3.111 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000877473865 1299325800 /nfs/dbraw/zinc/32/58/00/1299325800.db2.gz RYQVSYOTUQTJHA-KRWDZBQOSA-N 1 2 346.456 3.235 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000877473865 1299325811 /nfs/dbraw/zinc/32/58/11/1299325811.db2.gz RYQVSYOTUQTJHA-KRWDZBQOSA-N 1 2 346.456 3.235 20 5 EGBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000072862099 1292295265 /nfs/dbraw/zinc/29/52/65/1292295265.db2.gz WEMCZQFGONBCSD-NSHDSACASA-N 1 2 343.836 3.014 20 5 EGBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000072862099 1292295274 /nfs/dbraw/zinc/29/52/74/1292295274.db2.gz WEMCZQFGONBCSD-NSHDSACASA-N 1 2 343.836 3.014 20 5 EGBDLO CSC1(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000835398550 1293283105 /nfs/dbraw/zinc/28/31/05/1293283105.db2.gz ZECXSLUYNISYNM-UHFFFAOYSA-N 1 2 347.396 3.223 20 5 EGBDLO Cc1nn(C[NH+]2CCC(C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121228745 1293361905 /nfs/dbraw/zinc/36/19/05/1293361905.db2.gz LAILYMAZEPTVMZ-UHFFFAOYSA-N 1 2 342.321 3.485 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000746656457 1298633510 /nfs/dbraw/zinc/63/35/10/1298633510.db2.gz YZWMKMITPHXWOS-UHFFFAOYSA-N 1 2 335.791 3.159 20 5 EGBDLO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767765835 1302760580 /nfs/dbraw/zinc/76/05/80/1302760580.db2.gz PZEMWOXOAHAQSR-PWSUYJOCSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767765835 1302760586 /nfs/dbraw/zinc/76/05/86/1302760586.db2.gz PZEMWOXOAHAQSR-PWSUYJOCSA-N 1 2 345.241 3.412 20 5 EGBDLO CC(C)[C@H]1C[C@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774849870 1303866825 /nfs/dbraw/zinc/86/68/25/1303866825.db2.gz LMNJEPIMVXXURO-UONOGXRCSA-N 1 2 329.356 3.229 20 5 EGBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782066835 1304911288 /nfs/dbraw/zinc/91/12/88/1304911288.db2.gz GYMDFKOUIKWEGK-AWEZNQCLSA-N 1 2 336.775 3.080 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1Cl ZINC000783661354 1305125475 /nfs/dbraw/zinc/12/54/75/1305125475.db2.gz VDJJMZGTTDJNDB-UHFFFAOYSA-N 1 2 338.713 3.137 20 5 EGBDLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000784012593 1305175636 /nfs/dbraw/zinc/17/56/36/1305175636.db2.gz SNBJVAIMOQITLH-MLGOLLRUSA-N 1 2 330.388 3.149 20 5 EGBDLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000784012593 1305175637 /nfs/dbraw/zinc/17/56/37/1305175637.db2.gz SNBJVAIMOQITLH-MLGOLLRUSA-N 1 2 330.388 3.149 20 5 EGBDLO COc1c(O)ccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000892009628 1305229119 /nfs/dbraw/zinc/22/91/19/1305229119.db2.gz LYBXOZDFZAOVKP-NSHDSACASA-N 1 2 332.356 3.208 20 5 EGBDLO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000892009628 1305229121 /nfs/dbraw/zinc/22/91/21/1305229121.db2.gz LYBXOZDFZAOVKP-NSHDSACASA-N 1 2 332.356 3.208 20 5 EGBDLO COc1cc(C[NH2+][C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OC ZINC000892856352 1305580643 /nfs/dbraw/zinc/58/06/43/1305580643.db2.gz PHFJMNBGGVEHGV-JTQLQIEISA-N 1 2 337.401 3.228 20 5 EGBDLO CC(C)(C)[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000790427350 1306324203 /nfs/dbraw/zinc/32/42/03/1306324203.db2.gz HMCYJWOAHMMXPC-QGZVFWFLSA-N 1 2 344.415 3.163 20 5 EGBDLO CC(C)(C)[C@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000790427350 1306324212 /nfs/dbraw/zinc/32/42/12/1306324212.db2.gz HMCYJWOAHMMXPC-QGZVFWFLSA-N 1 2 344.415 3.163 20 5 EGBDLO CSC1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CC1 ZINC000896784149 1310012141 /nfs/dbraw/zinc/01/21/41/1310012141.db2.gz AZXJUROIYLQZNM-UHFFFAOYSA-N 1 2 343.368 3.183 20 5 EGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000800865413 1310821333 /nfs/dbraw/zinc/82/13/33/1310821333.db2.gz BJDNUBLQHWLTCL-MRXNPFEDSA-N 1 2 349.431 3.284 20 5 EGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000800865413 1310821339 /nfs/dbraw/zinc/82/13/39/1310821339.db2.gz BJDNUBLQHWLTCL-MRXNPFEDSA-N 1 2 349.431 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc(Br)c2c1CN(c1cccc[nH+]1)CC2 ZINC000804702751 1317275733 /nfs/dbraw/zinc/27/57/33/1317275733.db2.gz FOXBKRYPHSEADU-UHFFFAOYSA-N 1 2 334.173 3.315 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000805746632 1317416986 /nfs/dbraw/zinc/41/69/86/1317416986.db2.gz DBVXKZFRYJILTL-OAHLLOKOSA-N 1 2 328.328 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000805746632 1317416991 /nfs/dbraw/zinc/41/69/91/1317416991.db2.gz DBVXKZFRYJILTL-OAHLLOKOSA-N 1 2 328.328 3.235 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCCCCNc1cccc[nH+]1 ZINC000807959416 1317604415 /nfs/dbraw/zinc/60/44/15/1317604415.db2.gz SMBZBBWQUDIIJU-UHFFFAOYSA-N 1 2 328.372 3.497 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000817430835 1319358847 /nfs/dbraw/zinc/35/88/47/1319358847.db2.gz OFAUFPNRWFYJCD-UHFFFAOYSA-N 1 2 343.383 3.162 20 5 EGBDLO O=[N+]([O-])c1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cn1 ZINC001203566524 1370171955 /nfs/dbraw/zinc/17/19/55/1370171955.db2.gz KIEAFNFQZJAKFE-UHFFFAOYSA-N 1 2 345.156 3.466 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1c[nH+]cn1CC ZINC001123379366 1372447625 /nfs/dbraw/zinc/44/76/25/1372447625.db2.gz UELJXGFWDCGMTC-UHFFFAOYSA-N 1 2 335.385 3.280 20 5 EGBDLO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001212841180 1372783078 /nfs/dbraw/zinc/78/30/78/1372783078.db2.gz DIPBDRZRKBVSLT-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO Cc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC001214164738 1373018230 /nfs/dbraw/zinc/01/82/30/1373018230.db2.gz BCOOIUDZUITCJC-UHFFFAOYSA-N 1 2 328.372 3.003 20 5 EGBDLO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]CC2(F)F)c(Cl)c1Cl ZINC001218009494 1373535847 /nfs/dbraw/zinc/53/58/47/1373535847.db2.gz IGUUJILAKUDPIF-QMMMGPOBSA-N 1 2 327.114 3.278 20 5 EGBDLO C[C@@H](Oc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227479692 1375435636 /nfs/dbraw/zinc/43/56/36/1375435636.db2.gz HXQSPXVSZMQACN-BEFAXECRSA-N 1 2 342.395 3.263 20 5 EGBDLO C[C@@H](Oc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227479692 1375435648 /nfs/dbraw/zinc/43/56/48/1375435648.db2.gz HXQSPXVSZMQACN-BEFAXECRSA-N 1 2 342.395 3.263 20 5 EGBDLO O=[N+]([O-])c1ccc2c(ccnc2NCCc2cn3ccccc3[nH+]2)c1 ZINC001158148499 1381141434 /nfs/dbraw/zinc/14/14/34/1381141434.db2.gz SPWMATDXPIBTHO-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO CSc1nc(Cl)nc(NCc2c[nH+]cn2C(C)C)c1[N+](=O)[O-] ZINC001161566026 1382440783 /nfs/dbraw/zinc/44/07/83/1382440783.db2.gz YYPQOJTZOJZJOY-UHFFFAOYSA-N 1 2 342.812 3.150 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167123565 1383545362 /nfs/dbraw/zinc/54/53/62/1383545362.db2.gz CFUHPWRWWDKYAY-UHFFFAOYSA-N 1 2 342.186 3.335 20 5 EGBDLO CN(CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001321291566 1386868427 /nfs/dbraw/zinc/86/84/27/1386868427.db2.gz YHHUDEKTNRHZSE-UHFFFAOYSA-N 1 2 335.404 3.167 20 5 EGBDLO CN(CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)OC(C)(C)C ZINC001321291566 1386868431 /nfs/dbraw/zinc/86/84/31/1386868431.db2.gz YHHUDEKTNRHZSE-UHFFFAOYSA-N 1 2 335.404 3.167 20 5 EGBDLO COc1c(O)ccc(C[NH2+]C2(c3nccs3)CCCC2)c1[N+](=O)[O-] ZINC001334183869 1390494699 /nfs/dbraw/zinc/49/46/99/1390494699.db2.gz PTZLWYDZIVYLEC-UHFFFAOYSA-N 1 2 349.412 3.325 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173768183 231027753 /nfs/dbraw/zinc/02/77/53/231027753.db2.gz FYQFZINPDQSXFH-SNVBAGLBSA-N 1 2 345.321 3.196 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000181820989 234337286 /nfs/dbraw/zinc/33/72/86/234337286.db2.gz KTRCZANQAJJCBW-LLVKDONJSA-N 1 2 328.328 3.397 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000080026174 217273118 /nfs/dbraw/zinc/27/31/18/217273118.db2.gz IOKQQUUCJZYBAS-MRXNPFEDSA-N 1 2 328.372 3.007 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000080026174 217273123 /nfs/dbraw/zinc/27/31/23/217273123.db2.gz IOKQQUUCJZYBAS-MRXNPFEDSA-N 1 2 328.372 3.007 20 5 EGBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000111376348 220148831 /nfs/dbraw/zinc/14/88/31/220148831.db2.gz VPAFBWDMOXVKQD-QWRGUYRKSA-N 1 2 348.428 3.292 20 5 EGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2CC)cc1OC ZINC000265052491 247163674 /nfs/dbraw/zinc/16/36/74/247163674.db2.gz ORGFSINFDKVHIC-UHFFFAOYSA-N 1 2 345.355 3.212 20 5 EGBDLO C[C@H](N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000093882759 218254176 /nfs/dbraw/zinc/25/41/76/218254176.db2.gz BAJSYXGFNXJTNU-BPJJOFIESA-N 1 2 343.349 3.176 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCCCO3)CC2 ZINC000093338228 285142712 /nfs/dbraw/zinc/14/27/12/285142712.db2.gz RJLJRSCZZTXZJY-UHFFFAOYSA-N 1 2 340.379 3.314 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCCCO3)CC2 ZINC000093338228 285142714 /nfs/dbraw/zinc/14/27/14/285142714.db2.gz RJLJRSCZZTXZJY-UHFFFAOYSA-N 1 2 340.379 3.314 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000098073822 285163762 /nfs/dbraw/zinc/16/37/62/285163762.db2.gz PJUYRXCDGMSXOX-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000012796756 292055652 /nfs/dbraw/zinc/05/56/52/292055652.db2.gz CNGFOLIFJWKKGB-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000012796756 292055653 /nfs/dbraw/zinc/05/56/53/292055653.db2.gz CNGFOLIFJWKKGB-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353441229 141296351 /nfs/dbraw/zinc/29/63/51/141296351.db2.gz ASKVQPKZIMWGQZ-KRWDZBQOSA-N 1 2 340.358 3.347 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000353464302 141303010 /nfs/dbraw/zinc/30/30/10/141303010.db2.gz UCAHDWPVQJGDLM-HNNXBMFYSA-N 1 2 328.397 3.269 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])cc1F ZINC000184247298 144089756 /nfs/dbraw/zinc/08/97/56/144089756.db2.gz LHWQJNKXRRTIJT-UHFFFAOYSA-N 1 2 325.365 3.139 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])cc1F ZINC000184247298 144089758 /nfs/dbraw/zinc/08/97/58/144089758.db2.gz LHWQJNKXRRTIJT-UHFFFAOYSA-N 1 2 325.365 3.139 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1OC ZINC000185288198 144110140 /nfs/dbraw/zinc/11/01/40/144110140.db2.gz VLSJOGOXBCQXDL-CYBMUJFWSA-N 1 2 329.356 3.206 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCCO)Cc2ccccc2)c(F)c1 ZINC000351870832 144318217 /nfs/dbraw/zinc/31/82/17/144318217.db2.gz OVLVCMJEJGBLID-UHFFFAOYSA-N 1 2 336.338 3.258 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCCO)Cc2ccccc2)c(F)c1 ZINC000351870832 144318218 /nfs/dbraw/zinc/31/82/18/144318218.db2.gz OVLVCMJEJGBLID-UHFFFAOYSA-N 1 2 336.338 3.258 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000338501732 163248834 /nfs/dbraw/zinc/24/88/34/163248834.db2.gz QHTGRYBHMSBQAB-UHFFFAOYSA-N 1 2 339.351 3.218 20 5 EGBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000338634916 163299041 /nfs/dbraw/zinc/29/90/41/163299041.db2.gz ICMNJMUOGZBYHV-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000338634916 163299046 /nfs/dbraw/zinc/29/90/46/163299046.db2.gz ICMNJMUOGZBYHV-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352401572 165383014 /nfs/dbraw/zinc/38/30/14/165383014.db2.gz IJRCSPOLPSEJCK-UHFFFAOYSA-N 1 2 336.342 3.038 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCc4occc4C3)n2)c1 ZINC000367323053 168207883 /nfs/dbraw/zinc/20/78/83/168207883.db2.gz YQNYHXMXQCRTNY-UHFFFAOYSA-N 1 2 340.339 3.186 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCc4occc4C3)n2)c1 ZINC000367323053 168207886 /nfs/dbraw/zinc/20/78/86/168207886.db2.gz YQNYHXMXQCRTNY-UHFFFAOYSA-N 1 2 340.339 3.186 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC2(CCC2)C1 ZINC000123362815 222263716 /nfs/dbraw/zinc/26/37/16/222263716.db2.gz CPPYZQUPFUEOSY-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC2(CCC2)C1 ZINC000123362815 222263720 /nfs/dbraw/zinc/26/37/20/222263720.db2.gz CPPYZQUPFUEOSY-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO CCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000084252469 264650606 /nfs/dbraw/zinc/65/06/06/264650606.db2.gz HHESFPZIKXXGKN-UHFFFAOYSA-N 1 2 328.372 3.091 20 5 EGBDLO Cc1cc(NCCCOC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000193618392 266047961 /nfs/dbraw/zinc/04/79/61/266047961.db2.gz MFBQMWWNSVXUSB-UHFFFAOYSA-N 1 2 338.314 3.401 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])cc1F ZINC000362313754 274093721 /nfs/dbraw/zinc/09/37/21/274093721.db2.gz DOTUZWWAJFYNDS-UHFFFAOYSA-N 1 2 332.331 3.006 20 5 EGBDLO COc1cc(C[N@H+]2CCc3ccc(O)cc3C2)c([N+](=O)[O-])cc1F ZINC000362313754 274093722 /nfs/dbraw/zinc/09/37/22/274093722.db2.gz DOTUZWWAJFYNDS-UHFFFAOYSA-N 1 2 332.331 3.006 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000281880773 275585009 /nfs/dbraw/zinc/58/50/09/275585009.db2.gz SFHKJYKIHSNKJB-MRXNPFEDSA-N 1 2 342.399 3.108 20 5 EGBDLO Cc1cccc(CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[nH+]1 ZINC000286630651 276025429 /nfs/dbraw/zinc/02/54/29/276025429.db2.gz SDGAHNAJOCPIBQ-UHFFFAOYSA-N 1 2 340.383 3.228 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000289709813 276381504 /nfs/dbraw/zinc/38/15/04/276381504.db2.gz CHIYDEMTRPOMOZ-LBPRGKRZSA-N 1 2 347.762 3.033 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000289709813 276381505 /nfs/dbraw/zinc/38/15/05/276381505.db2.gz CHIYDEMTRPOMOZ-LBPRGKRZSA-N 1 2 347.762 3.033 20 5 EGBDLO COc1ccc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000359839771 295132569 /nfs/dbraw/zinc/13/25/69/295132569.db2.gz DRCOJVPZNXSJFL-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1ccc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000359839771 295132571 /nfs/dbraw/zinc/13/25/71/295132571.db2.gz DRCOJVPZNXSJFL-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000414092548 309060485 /nfs/dbraw/zinc/06/04/85/309060485.db2.gz DZGPNGLEHFWZIB-UWVGGRQHSA-N 1 2 335.385 3.250 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](CF)C3)s2)cc1 ZINC000414465896 309081810 /nfs/dbraw/zinc/08/18/10/309081810.db2.gz AKXKXWNJQCSBOD-CQSZACIVSA-N 1 2 336.388 3.494 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H](CF)C3)s2)cc1 ZINC000414465896 309081811 /nfs/dbraw/zinc/08/18/11/309081811.db2.gz AKXKXWNJQCSBOD-CQSZACIVSA-N 1 2 336.388 3.494 20 5 EGBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000294949801 308275326 /nfs/dbraw/zinc/27/53/26/308275326.db2.gz CZLFCVNVGGPFGQ-CYBMUJFWSA-N 1 2 326.805 3.475 20 5 EGBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000294949801 308275327 /nfs/dbraw/zinc/27/53/27/308275327.db2.gz CZLFCVNVGGPFGQ-CYBMUJFWSA-N 1 2 326.805 3.475 20 5 EGBDLO Cc1cc(NC[C@@H](C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000294987749 308279102 /nfs/dbraw/zinc/27/91/02/308279102.db2.gz PZVRFUVNPBPDMA-LBPRGKRZSA-N 1 2 330.388 3.181 20 5 EGBDLO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000296753295 308463647 /nfs/dbraw/zinc/46/36/47/308463647.db2.gz PWTWCHYNUKVETJ-SCLBCKFNSA-N 1 2 339.395 3.265 20 5 EGBDLO Cc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301440580 308700366 /nfs/dbraw/zinc/70/03/66/308700366.db2.gz MLLACFKLXRLINJ-MRXNPFEDSA-N 1 2 347.440 3.450 20 5 EGBDLO CCOC(=O)c1cc(NCCc2ccc(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000413348954 309028163 /nfs/dbraw/zinc/02/81/63/309028163.db2.gz FKUCKMIYXJEYMM-UHFFFAOYSA-N 1 2 329.356 3.130 20 5 EGBDLO CC[C@H]1C[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CC)O1 ZINC000420955202 309304208 /nfs/dbraw/zinc/30/42/08/309304208.db2.gz KZANTXMAGHRVGE-GJZGRUSLSA-N 1 2 346.387 3.034 20 5 EGBDLO CC(C)([NH2+]Cc1ncnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429232914 309574452 /nfs/dbraw/zinc/57/44/52/309574452.db2.gz CBMUOOHIIBUZDW-UHFFFAOYSA-N 1 2 337.383 3.200 20 5 EGBDLO Cc1ccn2cc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3C)[nH+]c2c1 ZINC000446489458 309962695 /nfs/dbraw/zinc/96/26/95/309962695.db2.gz YXLGZILSURTNSZ-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO CC[C@H](C)[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000449403471 310059286 /nfs/dbraw/zinc/05/92/86/310059286.db2.gz QAUUAQFCQFBLEE-JQFCIGGWSA-N 1 2 346.431 3.068 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000449526027 310069217 /nfs/dbraw/zinc/06/92/17/310069217.db2.gz VAKPKXKCKCBDLB-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000449526027 310069218 /nfs/dbraw/zinc/06/92/18/310069218.db2.gz VAKPKXKCKCBDLB-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO CC[C@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450102905 310103581 /nfs/dbraw/zinc/10/35/81/310103581.db2.gz SLARUSOMKRANJQ-QGZVFWFLSA-N 1 2 328.372 3.043 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(C1)CCCCC2 ZINC000450497782 310126510 /nfs/dbraw/zinc/12/65/10/310126510.db2.gz DGHUYRNCEUCLDB-UHFFFAOYSA-N 1 2 340.383 3.187 20 5 EGBDLO C[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000450671916 310136468 /nfs/dbraw/zinc/13/64/68/310136468.db2.gz GSSHSMNHBQYLCU-SNVBAGLBSA-N 1 2 328.294 3.204 20 5 EGBDLO CCC(C)(C)OCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000453419884 310276185 /nfs/dbraw/zinc/27/61/85/310276185.db2.gz XASAGDOMZZKUPX-INIZCTEOSA-N 1 2 346.431 3.213 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456403366 310404288 /nfs/dbraw/zinc/40/42/88/310404288.db2.gz WNYFVMSVKOCHSQ-UHIISALHSA-N 1 2 346.412 3.094 20 5 EGBDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000492413645 311248006 /nfs/dbraw/zinc/24/80/06/311248006.db2.gz YENDTIKXQSLYGK-SBDDDAINSA-N 1 2 328.372 3.010 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000505614472 312028469 /nfs/dbraw/zinc/02/84/69/312028469.db2.gz YANHKJOKKOEZAR-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO CC[C@H]([NH2+]Cc1n[nH]cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000532224375 313771269 /nfs/dbraw/zinc/77/12/69/313771269.db2.gz WDMIYVROPBFEGT-LBPRGKRZSA-N 1 2 339.193 3.321 20 5 EGBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000536683300 314138088 /nfs/dbraw/zinc/13/80/88/314138088.db2.gz VLBIYASHRNWNCH-HCWHUNCVSA-N 1 2 340.379 3.454 20 5 EGBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000536683300 314138091 /nfs/dbraw/zinc/13/80/91/314138091.db2.gz VLBIYASHRNWNCH-HCWHUNCVSA-N 1 2 340.379 3.454 20 5 EGBDLO CCc1ccc([C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543405322 314626448 /nfs/dbraw/zinc/62/64/48/314626448.db2.gz ZQLAAKKAZPJIRT-ZBQZNYHESA-N 1 2 342.395 3.366 20 5 EGBDLO C[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000563581806 316040961 /nfs/dbraw/zinc/04/09/61/316040961.db2.gz NQUCPJVVDRRZSK-JKIFEVAISA-N 1 2 342.399 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCC[C@@H](F)C1 ZINC000564902967 316229999 /nfs/dbraw/zinc/22/99/99/316229999.db2.gz FUTDQHIXGGGBBH-CABCVRRESA-N 1 2 337.395 3.120 20 5 EGBDLO Cc1nc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH]c1C ZINC000565239670 316297192 /nfs/dbraw/zinc/29/71/92/316297192.db2.gz YMAYOKDZFVMPDU-UHFFFAOYSA-N 1 2 328.294 3.243 20 5 EGBDLO Cc1[nH]c(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH+]c1C ZINC000565239670 316297194 /nfs/dbraw/zinc/29/71/94/316297194.db2.gz YMAYOKDZFVMPDU-UHFFFAOYSA-N 1 2 328.294 3.243 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H](NCCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000583386116 325519495 /nfs/dbraw/zinc/51/94/95/325519495.db2.gz HORXKNKKOMDCNK-ZDUSSCGKSA-N 1 2 328.294 3.075 20 5 EGBDLO CNc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000010895816 453305527 /nfs/dbraw/zinc/30/55/27/453305527.db2.gz CWIIMDYJSFHSNA-UHFFFAOYSA-N 1 2 325.328 3.074 20 5 EGBDLO CNc1ccc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000010895816 453305531 /nfs/dbraw/zinc/30/55/31/453305531.db2.gz CWIIMDYJSFHSNA-UHFFFAOYSA-N 1 2 325.328 3.074 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000015304849 453566103 /nfs/dbraw/zinc/56/61/03/453566103.db2.gz WDQARTGTKUEDHZ-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000015304849 453566105 /nfs/dbraw/zinc/56/61/05/453566105.db2.gz WDQARTGTKUEDHZ-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)c2c1 ZINC000016354302 453602221 /nfs/dbraw/zinc/60/22/21/453602221.db2.gz DYUKILRRDOZUFN-NSHDSACASA-N 1 2 328.294 3.176 20 5 EGBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H](C(F)(F)F)C3)c2c1 ZINC000016354302 453602223 /nfs/dbraw/zinc/60/22/23/453602223.db2.gz DYUKILRRDOZUFN-NSHDSACASA-N 1 2 328.294 3.176 20 5 EGBDLO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021917971 453683347 /nfs/dbraw/zinc/68/33/47/453683347.db2.gz JPYFIJVGKYESJT-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000021917971 453683352 /nfs/dbraw/zinc/68/33/52/453683352.db2.gz JPYFIJVGKYESJT-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000025944201 453790357 /nfs/dbraw/zinc/79/03/57/453790357.db2.gz IHNRKDQEDHBKFR-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000025944201 453790358 /nfs/dbraw/zinc/79/03/58/453790358.db2.gz IHNRKDQEDHBKFR-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO Cc1cccc([C@@H](CNc2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000029626565 453830289 /nfs/dbraw/zinc/83/02/89/453830289.db2.gz MENLHGRPGFTJFE-LJQANCHMSA-N 1 2 341.411 3.389 20 5 EGBDLO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000029799934 453831633 /nfs/dbraw/zinc/83/16/33/453831633.db2.gz ZQOHAFOXEPHWPV-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO C[C@H](N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000032162184 453865738 /nfs/dbraw/zinc/86/57/38/453865738.db2.gz NZYCZROZWJAYIY-LBPRGKRZSA-N 1 2 330.388 3.287 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000085620321 454035012 /nfs/dbraw/zinc/03/50/12/454035012.db2.gz UUXNUMZIJVKDNX-ZDUSSCGKSA-N 1 2 343.387 3.346 20 5 EGBDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000056491411 454061608 /nfs/dbraw/zinc/06/16/08/454061608.db2.gz DOIKNCUNLNTBDC-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO CC(C)[C@H](C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000046443892 454252383 /nfs/dbraw/zinc/25/23/83/454252383.db2.gz ZPXODBXPFFZKEF-ZDUSSCGKSA-N 1 2 342.399 3.430 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121618095 454457602 /nfs/dbraw/zinc/45/76/02/454457602.db2.gz IKYWTCWLBFEKOH-LJQANCHMSA-N 1 2 342.395 3.351 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121618095 454457608 /nfs/dbraw/zinc/45/76/08/454457608.db2.gz IKYWTCWLBFEKOH-LJQANCHMSA-N 1 2 342.395 3.351 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccoc1 ZINC000102409394 454502560 /nfs/dbraw/zinc/50/25/60/454502560.db2.gz UKAZIGXBNKTARZ-UHFFFAOYSA-N 1 2 337.763 3.302 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccoc1 ZINC000102409394 454502565 /nfs/dbraw/zinc/50/25/65/454502565.db2.gz UKAZIGXBNKTARZ-UHFFFAOYSA-N 1 2 337.763 3.302 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(C)s1 ZINC000102774611 454519606 /nfs/dbraw/zinc/51/96/06/454519606.db2.gz ZLPLZNDZUIAKRT-UHFFFAOYSA-N 1 2 349.412 3.044 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(C)s1 ZINC000102774611 454519612 /nfs/dbraw/zinc/51/96/12/454519612.db2.gz ZLPLZNDZUIAKRT-UHFFFAOYSA-N 1 2 349.412 3.044 20 5 EGBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000134726983 454583259 /nfs/dbraw/zinc/58/32/59/454583259.db2.gz PVKVGUUGUQRWSJ-ZDUSSCGKSA-N 1 2 334.763 3.339 20 5 EGBDLO CC[C@@]1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000135746280 454701218 /nfs/dbraw/zinc/70/12/18/454701218.db2.gz IZZMATMMSUMZEW-KRWDZBQOSA-N 1 2 331.372 3.251 20 5 EGBDLO CC[C@@]1(C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000135746280 454701220 /nfs/dbraw/zinc/70/12/20/454701220.db2.gz IZZMATMMSUMZEW-KRWDZBQOSA-N 1 2 331.372 3.251 20 5 EGBDLO CC[C@]1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000135746240 454701339 /nfs/dbraw/zinc/70/13/39/454701339.db2.gz IZZMATMMSUMZEW-QGZVFWFLSA-N 1 2 331.372 3.251 20 5 EGBDLO CC[C@]1(C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000135746240 454701341 /nfs/dbraw/zinc/70/13/41/454701341.db2.gz IZZMATMMSUMZEW-QGZVFWFLSA-N 1 2 331.372 3.251 20 5 EGBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093888789 454744350 /nfs/dbraw/zinc/74/43/50/454744350.db2.gz RGEWGAVCSSYEBO-OIRASMEMSA-N 1 2 348.424 3.231 20 5 EGBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093888789 454744357 /nfs/dbraw/zinc/74/43/57/454744357.db2.gz RGEWGAVCSSYEBO-OIRASMEMSA-N 1 2 348.424 3.231 20 5 EGBDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153301486 454780177 /nfs/dbraw/zinc/78/01/77/454780177.db2.gz AJNDPHYKDKHUBM-GJZGRUSLSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153301486 454780182 /nfs/dbraw/zinc/78/01/82/454780182.db2.gz AJNDPHYKDKHUBM-GJZGRUSLSA-N 1 2 345.443 3.349 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000163031392 454818651 /nfs/dbraw/zinc/81/86/51/454818651.db2.gz PIHKSJJRCKLSCV-LRDDRELGSA-N 1 2 343.387 3.215 20 5 EGBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000182220364 455465152 /nfs/dbraw/zinc/46/51/52/455465152.db2.gz ACMKXRHRGKENJO-UHFFFAOYSA-N 1 2 331.338 3.053 20 5 EGBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000182220364 455465155 /nfs/dbraw/zinc/46/51/55/455465155.db2.gz ACMKXRHRGKENJO-UHFFFAOYSA-N 1 2 331.338 3.053 20 5 EGBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178494343 454956721 /nfs/dbraw/zinc/95/67/21/454956721.db2.gz IODFLFZJPMQQDW-OAHLLOKOSA-N 1 2 334.807 3.491 20 5 EGBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178494343 454956724 /nfs/dbraw/zinc/95/67/24/454956724.db2.gz IODFLFZJPMQQDW-OAHLLOKOSA-N 1 2 334.807 3.491 20 5 EGBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182357547 455496770 /nfs/dbraw/zinc/49/67/70/455496770.db2.gz HHVZJQMJPHQVLM-OAHLLOKOSA-N 1 2 334.807 3.491 20 5 EGBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182357547 455496773 /nfs/dbraw/zinc/49/67/73/455496773.db2.gz HHVZJQMJPHQVLM-OAHLLOKOSA-N 1 2 334.807 3.491 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000171040864 455020048 /nfs/dbraw/zinc/02/00/48/455020048.db2.gz ZRKXEAHPHSZHMR-UHFFFAOYSA-N 1 2 340.383 3.122 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000171040864 455020050 /nfs/dbraw/zinc/02/00/50/455020050.db2.gz ZRKXEAHPHSZHMR-UHFFFAOYSA-N 1 2 340.383 3.122 20 5 EGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171158713 455038552 /nfs/dbraw/zinc/03/85/52/455038552.db2.gz GOYXJODRLXDDQQ-UHFFFAOYSA-N 1 2 338.367 3.293 20 5 EGBDLO CCc1cc(NC[C@H](CC)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000152366247 455108624 /nfs/dbraw/zinc/10/86/24/455108624.db2.gz QFITWTINZXPNNW-CYBMUJFWSA-N 1 2 344.415 3.435 20 5 EGBDLO O=C(Nc1ncccc1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179971383 455108918 /nfs/dbraw/zinc/10/89/18/455108918.db2.gz SGMVCKCPMYUQLW-UHFFFAOYSA-N 1 2 343.730 3.081 20 5 EGBDLO Cc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000264758822 455277451 /nfs/dbraw/zinc/27/74/51/455277451.db2.gz SYCUMOQQRIHVDE-LBPRGKRZSA-N 1 2 329.360 3.038 20 5 EGBDLO CC[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181549446 455353215 /nfs/dbraw/zinc/35/32/15/455353215.db2.gz FNKFUZWOGNOMBH-KRWDZBQOSA-N 1 2 337.383 3.416 20 5 EGBDLO CCn1c2ccccc2[nH+]c1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000266811139 455455792 /nfs/dbraw/zinc/45/57/92/455455792.db2.gz GJPALQBYQOXFQY-UHFFFAOYSA-N 1 2 325.372 3.322 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000182588305 455548374 /nfs/dbraw/zinc/54/83/74/455548374.db2.gz DUSCFQBUPWWKHA-LBPRGKRZSA-N 1 2 331.338 3.144 20 5 EGBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000247097324 455558538 /nfs/dbraw/zinc/55/85/38/455558538.db2.gz XUINIQJJSYXATB-MNOVXSKESA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000247097324 455558543 /nfs/dbraw/zinc/55/85/43/455558543.db2.gz XUINIQJJSYXATB-MNOVXSKESA-N 1 2 325.796 3.307 20 5 EGBDLO COc1ccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000292240865 455606469 /nfs/dbraw/zinc/60/64/69/455606469.db2.gz RQLITESZZTZBOI-INIZCTEOSA-N 1 2 345.403 3.133 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000292537682 455690936 /nfs/dbraw/zinc/69/09/36/455690936.db2.gz AVNYAESGZUMNQY-UHFFFAOYSA-N 1 2 339.193 3.429 20 5 EGBDLO Cc1nc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc[nH+]1 ZINC000286348006 456029810 /nfs/dbraw/zinc/02/98/10/456029810.db2.gz HETHHDHDHCCTSA-UHFFFAOYSA-N 1 2 349.188 3.018 20 5 EGBDLO CCc1[nH+]c2ccccc2n1Cc1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000297120896 456124328 /nfs/dbraw/zinc/12/43/28/456124328.db2.gz YNLADFACRPYUNL-UHFFFAOYSA-N 1 2 343.387 3.018 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281630626 456278478 /nfs/dbraw/zinc/27/84/78/456278478.db2.gz IFFLHIVFCHOIRS-KRWDZBQOSA-N 1 2 348.786 3.008 20 5 EGBDLO CC[C@]1(C)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000302704598 456379166 /nfs/dbraw/zinc/37/91/66/456379166.db2.gz YAZRKPPKJMRXRG-GOSISDBHSA-N 1 2 342.399 3.366 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348104289 456483819 /nfs/dbraw/zinc/48/38/19/456483819.db2.gz BDHGXPSZQBGSRQ-UHFFFAOYSA-N 1 2 347.365 3.191 20 5 EGBDLO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(F)F ZINC000299571938 456731373 /nfs/dbraw/zinc/73/13/73/456731373.db2.gz PRJBFHUOPZEROZ-UHFFFAOYSA-N 1 2 329.347 3.209 20 5 EGBDLO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(F)F ZINC000299571938 456731379 /nfs/dbraw/zinc/73/13/79/456731379.db2.gz PRJBFHUOPZEROZ-UHFFFAOYSA-N 1 2 329.347 3.209 20 5 EGBDLO CCc1[nH+]c2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2n1C1CC1 ZINC000338487779 456831082 /nfs/dbraw/zinc/83/10/82/456831082.db2.gz SBQICPWZLSXHCJ-UHFFFAOYSA-N 1 2 337.383 3.271 20 5 EGBDLO C[C@H](C1CCC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356532219 457040556 /nfs/dbraw/zinc/04/05/56/457040556.db2.gz DLLGGOHMDATINT-GFCCVEGCSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000354140795 457090829 /nfs/dbraw/zinc/09/08/29/457090829.db2.gz JYMIQIIUJHYACS-UHFFFAOYSA-N 1 2 338.367 3.098 20 5 EGBDLO COc1cc(C[N@@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000347391266 457396966 /nfs/dbraw/zinc/39/69/66/457396966.db2.gz OZYZIQZSCDZZSH-AWEZNQCLSA-N 1 2 334.294 3.139 20 5 EGBDLO COc1cc(C[N@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000347391266 457396969 /nfs/dbraw/zinc/39/69/69/457396969.db2.gz OZYZIQZSCDZZSH-AWEZNQCLSA-N 1 2 334.294 3.139 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+](CC)c1ccccc1 ZINC000360879641 457402044 /nfs/dbraw/zinc/40/20/44/457402044.db2.gz JTGMPIOUWUSORM-UHFFFAOYSA-N 1 2 331.420 3.448 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+](CC)c1ccccc1 ZINC000360879641 457402051 /nfs/dbraw/zinc/40/20/51/457402051.db2.gz JTGMPIOUWUSORM-UHFFFAOYSA-N 1 2 331.420 3.448 20 5 EGBDLO CC(C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342771058 457513330 /nfs/dbraw/zinc/51/33/30/457513330.db2.gz YEDNTLOKFBXIDN-HNNXBMFYSA-N 1 2 342.399 3.431 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(F)c1 ZINC000361022671 457517214 /nfs/dbraw/zinc/51/72/14/457517214.db2.gz OMBSWZZRDASEJF-UHFFFAOYSA-N 1 2 328.343 3.487 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c(F)c1 ZINC000361022671 457517220 /nfs/dbraw/zinc/51/72/20/457517220.db2.gz OMBSWZZRDASEJF-UHFFFAOYSA-N 1 2 328.343 3.487 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000347596105 457536617 /nfs/dbraw/zinc/53/66/17/457536617.db2.gz ONXZGPYMZOEUTB-UHFFFAOYSA-N 1 2 348.428 3.482 20 5 EGBDLO C[C@H]1CSCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424299 457548834 /nfs/dbraw/zinc/54/88/34/457548834.db2.gz WQUUAEIMGZVOKQ-VIFPVBQESA-N 1 2 331.235 3.295 20 5 EGBDLO C[C@H]1CSCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424299 457548840 /nfs/dbraw/zinc/54/88/40/457548840.db2.gz WQUUAEIMGZVOKQ-VIFPVBQESA-N 1 2 331.235 3.295 20 5 EGBDLO C[NH+](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000356320523 457571154 /nfs/dbraw/zinc/57/11/54/457571154.db2.gz KUORWQWYRVSXIZ-HNNXBMFYSA-N 1 2 349.774 3.195 20 5 EGBDLO Cc1cnc(N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000361264553 457671971 /nfs/dbraw/zinc/67/19/71/457671971.db2.gz ZTUURNMNCQKALA-OAHLLOKOSA-N 1 2 341.346 3.372 20 5 EGBDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361266359 457672569 /nfs/dbraw/zinc/67/25/69/457672569.db2.gz NLQVXQVFMAFWFH-LLVKDONJSA-N 1 2 326.356 3.370 20 5 EGBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361266359 457672571 /nfs/dbraw/zinc/67/25/71/457672571.db2.gz NLQVXQVFMAFWFH-LLVKDONJSA-N 1 2 326.356 3.370 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361492144 457752119 /nfs/dbraw/zinc/75/21/19/457752119.db2.gz DTIOWTHAINFHTN-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361492144 457752123 /nfs/dbraw/zinc/75/21/23/457752123.db2.gz DTIOWTHAINFHTN-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653181 457928623 /nfs/dbraw/zinc/92/86/23/457928623.db2.gz LCHBFTCNOXOJNT-UHFFFAOYSA-N 1 2 333.779 3.095 20 5 EGBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653181 457928627 /nfs/dbraw/zinc/92/86/27/457928627.db2.gz LCHBFTCNOXOJNT-UHFFFAOYSA-N 1 2 333.779 3.095 20 5 EGBDLO CC[N@H+](Cc1occc1C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412025533 458050128 /nfs/dbraw/zinc/05/01/28/458050128.db2.gz JCIGAVPRCLKNRH-CYBMUJFWSA-N 1 2 331.372 3.345 20 5 EGBDLO CC[N@@H+](Cc1occc1C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412025533 458050136 /nfs/dbraw/zinc/05/01/36/458050136.db2.gz JCIGAVPRCLKNRH-CYBMUJFWSA-N 1 2 331.372 3.345 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412395174 458191927 /nfs/dbraw/zinc/19/19/27/458191927.db2.gz GWUZUKXNRHPKSK-LBPRGKRZSA-N 1 2 346.387 3.089 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccsc1 ZINC000447808433 458344990 /nfs/dbraw/zinc/34/49/90/458344990.db2.gz VDBOCJUDTZMVGR-UHFFFAOYSA-N 1 2 333.413 3.101 20 5 EGBDLO C[C@@H]1CCCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447807067 458345083 /nfs/dbraw/zinc/34/50/83/458345083.db2.gz PATXWUXTEZQXDM-OAHLLOKOSA-N 1 2 333.432 3.053 20 5 EGBDLO COCC[N@H+](Cc1cncs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447829812 458349873 /nfs/dbraw/zinc/34/98/73/458349873.db2.gz HGUZVDJRIOYOER-UHFFFAOYSA-N 1 2 341.820 3.353 20 5 EGBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447829812 458349877 /nfs/dbraw/zinc/34/98/77/458349877.db2.gz HGUZVDJRIOYOER-UHFFFAOYSA-N 1 2 341.820 3.353 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000372991141 458368711 /nfs/dbraw/zinc/36/87/11/458368711.db2.gz DNZDJGOCLPSVJV-UHFFFAOYSA-N 1 2 348.790 3.053 20 5 EGBDLO O=C1[C@@H]([N@@H+]2CC[C@@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437566012 458467681 /nfs/dbraw/zinc/46/76/81/458467681.db2.gz GYKROUGHTOKQLJ-MSOLQXFVSA-N 1 2 337.379 3.147 20 5 EGBDLO O=C1[C@@H]([N@H+]2CC[C@@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437566012 458467683 /nfs/dbraw/zinc/46/76/83/458467683.db2.gz GYKROUGHTOKQLJ-MSOLQXFVSA-N 1 2 337.379 3.147 20 5 EGBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000439003709 458640699 /nfs/dbraw/zinc/64/06/99/458640699.db2.gz IBMJWNUIGGPHLI-KRWDZBQOSA-N 1 2 344.415 3.417 20 5 EGBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000439003709 458640704 /nfs/dbraw/zinc/64/07/04/458640704.db2.gz IBMJWNUIGGPHLI-KRWDZBQOSA-N 1 2 344.415 3.417 20 5 EGBDLO CNc1c(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cccc1[N+](=O)[O-] ZINC000546615360 458644254 /nfs/dbraw/zinc/64/42/54/458644254.db2.gz AGAPXONQOVMFSB-UHFFFAOYSA-N 1 2 339.355 3.084 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456371026 458651295 /nfs/dbraw/zinc/65/12/95/458651295.db2.gz DQTJKWYCHZUEFQ-VXGBXAGGSA-N 1 2 348.428 3.169 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432135683 458687511 /nfs/dbraw/zinc/68/75/11/458687511.db2.gz KTZZNBQSEPDGLT-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO O=C(N[C@H](C1CC1)C1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457235382 458903798 /nfs/dbraw/zinc/90/37/98/458903798.db2.gz IEIGULJKUDJTTF-KRWDZBQOSA-N 1 2 340.383 3.089 20 5 EGBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566625331 458972151 /nfs/dbraw/zinc/97/21/51/458972151.db2.gz NKWAYGLLQAKCTQ-LBPRGKRZSA-N 1 2 331.376 3.201 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCSC4(CCOCC4)C3)c2c1 ZINC000577350808 459019997 /nfs/dbraw/zinc/01/99/97/459019997.db2.gz QMIBXVADOCVFST-UHFFFAOYSA-N 1 2 345.424 3.245 20 5 EGBDLO CCC[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594511400 459069714 /nfs/dbraw/zinc/06/97/14/459069714.db2.gz MWCLUHYATZSOSF-CABCVRRESA-N 1 2 345.403 3.195 20 5 EGBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000496689113 459287696 /nfs/dbraw/zinc/28/76/96/459287696.db2.gz DQWYYHSRPSOWHQ-GDBMZVCRSA-N 1 2 347.415 3.036 20 5 EGBDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000496689113 459287705 /nfs/dbraw/zinc/28/77/05/459287705.db2.gz DQWYYHSRPSOWHQ-GDBMZVCRSA-N 1 2 347.415 3.036 20 5 EGBDLO COc1cc(F)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000582067033 459301053 /nfs/dbraw/zinc/30/10/53/459301053.db2.gz BUYSSAAURSGTIT-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1cc(F)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000582067033 459301061 /nfs/dbraw/zinc/30/10/61/459301061.db2.gz BUYSSAAURSGTIT-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566166 459349577 /nfs/dbraw/zinc/34/95/77/459349577.db2.gz MBYPTCXIUOBBEY-PGUXBMHVSA-N 1 2 337.807 3.450 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566166 459349582 /nfs/dbraw/zinc/34/95/82/459349582.db2.gz MBYPTCXIUOBBEY-PGUXBMHVSA-N 1 2 337.807 3.450 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000595656881 459386138 /nfs/dbraw/zinc/38/61/38/459386138.db2.gz GZDNZQBQCDJZDZ-UHFFFAOYSA-N 1 2 340.379 3.328 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)CC2 ZINC000595656881 459386144 /nfs/dbraw/zinc/38/61/44/459386144.db2.gz GZDNZQBQCDJZDZ-UHFFFAOYSA-N 1 2 340.379 3.328 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CCO)c2ccccc2F)c(F)c1 ZINC000592162126 459541085 /nfs/dbraw/zinc/54/10/85/459541085.db2.gz VFBWRWBLAZGDHK-INIZCTEOSA-N 1 2 340.301 3.225 20 5 EGBDLO CN(CCC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000592684801 459665455 /nfs/dbraw/zinc/66/54/55/459665455.db2.gz RQZFXLZSRCKZIA-UHFFFAOYSA-N 1 2 330.388 3.289 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccnn2CC2CC2)C2CC2)c1 ZINC000596979034 459808568 /nfs/dbraw/zinc/80/85/68/459808568.db2.gz FPZDSLDVPHVJJE-UHFFFAOYSA-N 1 2 326.400 3.366 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccnn2CC2CC2)C2CC2)c1 ZINC000596979034 459808573 /nfs/dbraw/zinc/80/85/73/459808573.db2.gz FPZDSLDVPHVJJE-UHFFFAOYSA-N 1 2 326.400 3.366 20 5 EGBDLO CC(C)CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000598401781 459890575 /nfs/dbraw/zinc/89/05/75/459890575.db2.gz BVDTWCGHFZLYJW-UHFFFAOYSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCc2sccc2C1 ZINC000609322808 459943755 /nfs/dbraw/zinc/94/37/55/459943755.db2.gz MDANKAGMQNEXBA-GFCCVEGCSA-N 1 2 345.424 3.432 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCc2sccc2C1 ZINC000609322808 459943765 /nfs/dbraw/zinc/94/37/65/459943765.db2.gz MDANKAGMQNEXBA-GFCCVEGCSA-N 1 2 345.424 3.432 20 5 EGBDLO O=C(C[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609540174 459977823 /nfs/dbraw/zinc/97/78/23/459977823.db2.gz SABOCIGCNJRKIW-LLVKDONJSA-N 1 2 349.774 3.269 20 5 EGBDLO O=C(C[N@H+]1CC[C@@H](c2ccco2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609540174 459977831 /nfs/dbraw/zinc/97/78/31/459977831.db2.gz SABOCIGCNJRKIW-LLVKDONJSA-N 1 2 349.774 3.269 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000602678839 460061483 /nfs/dbraw/zinc/06/14/83/460061483.db2.gz OOLKZSBEXDJRRW-HNNXBMFYSA-N 1 2 341.371 3.053 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000604525186 460441207 /nfs/dbraw/zinc/44/12/07/460441207.db2.gz VZIWTTLYLWTPQM-UHFFFAOYSA-N 1 2 333.310 3.116 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000604525186 460441209 /nfs/dbraw/zinc/44/12/09/460441209.db2.gz VZIWTTLYLWTPQM-UHFFFAOYSA-N 1 2 333.310 3.116 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601239713 460762720 /nfs/dbraw/zinc/76/27/20/460762720.db2.gz BCSIQZBIPCKRLX-UHFFFAOYSA-N 1 2 344.440 3.464 20 5 EGBDLO COc1cc(C[N@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184295317 533798098 /nfs/dbraw/zinc/79/80/98/533798098.db2.gz IEFBHJQPEUHWIM-UHFFFAOYSA-N 1 2 331.347 3.302 20 5 EGBDLO COc1cc(C[N@@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184295317 533798102 /nfs/dbraw/zinc/79/81/02/533798102.db2.gz IEFBHJQPEUHWIM-UHFFFAOYSA-N 1 2 331.347 3.302 20 5 EGBDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000175260868 534621678 /nfs/dbraw/zinc/62/16/78/534621678.db2.gz WMCKQMDXPDHSFX-GHMZBOCLSA-N 1 2 334.401 3.038 20 5 EGBDLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000181817716 527102314 /nfs/dbraw/zinc/10/23/14/527102314.db2.gz JYZXQQHZZVLNOO-SNVBAGLBSA-N 1 2 334.401 3.169 20 5 EGBDLO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000738052190 574577392 /nfs/dbraw/zinc/57/73/92/574577392.db2.gz CQXHFNKUQSBITN-CMPLNLGQSA-N 1 2 345.241 3.412 20 5 EGBDLO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000738052190 574577394 /nfs/dbraw/zinc/57/73/94/574577394.db2.gz CQXHFNKUQSBITN-CMPLNLGQSA-N 1 2 345.241 3.412 20 5 EGBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000733790595 575389951 /nfs/dbraw/zinc/38/99/51/575389951.db2.gz NWZRIUIJATYBRW-GOSISDBHSA-N 1 2 344.415 3.163 20 5 EGBDLO CC(C)C[C@@H]1COCC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000733790595 575389955 /nfs/dbraw/zinc/38/99/55/575389955.db2.gz NWZRIUIJATYBRW-GOSISDBHSA-N 1 2 344.415 3.163 20 5 EGBDLO O=C(O[C@H]1CCCC[C@@H]1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835448540 1293293425 /nfs/dbraw/zinc/29/34/25/1293293425.db2.gz CMUICDAXRLUNJU-WFASDCNBSA-N 1 2 333.319 3.218 20 5 EGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+](Cc1ccccc1)C1CC1 ZINC000124347242 1293473458 /nfs/dbraw/zinc/47/34/58/1293473458.db2.gz HGWXWHIMZAEJIP-UHFFFAOYSA-N 1 2 339.351 3.125 20 5 EGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000124347242 1293473461 /nfs/dbraw/zinc/47/34/61/1293473461.db2.gz HGWXWHIMZAEJIP-UHFFFAOYSA-N 1 2 339.351 3.125 20 5 EGBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Br)cc[nH+]1 ZINC000159135222 1294226665 /nfs/dbraw/zinc/22/66/65/1294226665.db2.gz MKSOEQZHUOCSCA-UHFFFAOYSA-N 1 2 336.145 3.313 20 5 EGBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178158041 1294719128 /nfs/dbraw/zinc/71/91/28/1294719128.db2.gz HZMSKMNTUYRRHY-UHFFFAOYSA-N 1 2 345.746 3.218 20 5 EGBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000180422861 1294886812 /nfs/dbraw/zinc/88/68/12/1294886812.db2.gz BNRRXEHOWMYNHM-JTQLQIEISA-N 1 2 342.311 3.495 20 5 EGBDLO C[C@H](C(=O)OCc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1F ZINC000755745516 1300388117 /nfs/dbraw/zinc/38/81/17/1300388117.db2.gz LEYIWQMAQQUPSH-NSHDSACASA-N 1 2 343.314 3.229 20 5 EGBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000879188103 1300419644 /nfs/dbraw/zinc/41/96/44/1300419644.db2.gz HGFSLYDGMQYXMM-UHFFFAOYSA-N 1 2 339.193 3.021 20 5 EGBDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000879188103 1300419649 /nfs/dbraw/zinc/41/96/49/1300419649.db2.gz HGFSLYDGMQYXMM-UHFFFAOYSA-N 1 2 339.193 3.021 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CF)C1 ZINC000880234412 1300997227 /nfs/dbraw/zinc/99/72/27/1300997227.db2.gz RMQUUGADJLIIMV-WDEREUQCSA-N 1 2 343.786 3.257 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CF)C1 ZINC000880234412 1300997231 /nfs/dbraw/zinc/99/72/31/1300997231.db2.gz RMQUUGADJLIIMV-WDEREUQCSA-N 1 2 343.786 3.257 20 5 EGBDLO C[C@@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000759140843 1301023790 /nfs/dbraw/zinc/02/37/90/1301023790.db2.gz WOWDKENTNOZZPZ-DOMZBBRYSA-N 1 2 345.428 3.071 20 5 EGBDLO CC[N@@H+](Cc1ccccn1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777963373 1304374488 /nfs/dbraw/zinc/37/44/88/1304374488.db2.gz KJLOXANUOXOSHN-UHFFFAOYSA-N 1 2 337.383 3.333 20 5 EGBDLO CC[N@H+](Cc1ccccn1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777963373 1304374491 /nfs/dbraw/zinc/37/44/91/1304374491.db2.gz KJLOXANUOXOSHN-UHFFFAOYSA-N 1 2 337.383 3.333 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000782837303 1305015559 /nfs/dbraw/zinc/01/55/59/1305015559.db2.gz HWURLKBSZKFSEF-HNNXBMFYSA-N 1 2 345.403 3.336 20 5 EGBDLO COc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000784390010 1305239520 /nfs/dbraw/zinc/23/95/20/1305239520.db2.gz KNYSMKRAYJCUNA-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO CO[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000895969262 1309619871 /nfs/dbraw/zinc/61/98/71/1309619871.db2.gz JNLVKPGDPOOBSX-MRXNPFEDSA-N 1 2 334.397 3.128 20 5 EGBDLO CO[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000895969262 1309619874 /nfs/dbraw/zinc/61/98/74/1309619874.db2.gz JNLVKPGDPOOBSX-MRXNPFEDSA-N 1 2 334.397 3.128 20 5 EGBDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795677212 1309805721 /nfs/dbraw/zinc/80/57/21/1309805721.db2.gz XFUSMQOMOAAGIS-DZGCQCFKSA-N 1 2 330.388 3.231 20 5 EGBDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795677212 1309805732 /nfs/dbraw/zinc/80/57/32/1309805732.db2.gz XFUSMQOMOAAGIS-DZGCQCFKSA-N 1 2 330.388 3.231 20 5 EGBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C2 ZINC000896660882 1309962139 /nfs/dbraw/zinc/96/21/39/1309962139.db2.gz VEEHJQALUSZYMT-UHFFFAOYSA-N 1 2 340.305 3.393 20 5 EGBDLO NC(=O)C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC000809943152 1317921350 /nfs/dbraw/zinc/92/13/50/1317921350.db2.gz XOGZDVFPGFNNSI-UHFFFAOYSA-N 1 2 346.214 3.132 20 5 EGBDLO NC(=O)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC000809943152 1317921357 /nfs/dbraw/zinc/92/13/57/1317921357.db2.gz XOGZDVFPGFNNSI-UHFFFAOYSA-N 1 2 346.214 3.132 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000811497797 1318186442 /nfs/dbraw/zinc/18/64/42/1318186442.db2.gz FBVFPENUIUENLU-SECBINFHSA-N 1 2 331.199 3.370 20 5 EGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000914564978 1319345675 /nfs/dbraw/zinc/34/56/75/1319345675.db2.gz AYWIBJAJGFBMQQ-LBPRGKRZSA-N 1 2 343.412 3.238 20 5 EGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000914564978 1319345685 /nfs/dbraw/zinc/34/56/85/1319345685.db2.gz AYWIBJAJGFBMQQ-LBPRGKRZSA-N 1 2 343.412 3.238 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916152514 1319611780 /nfs/dbraw/zinc/61/17/80/1319611780.db2.gz SQPBHBBBEGEESM-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916152514 1319611792 /nfs/dbraw/zinc/61/17/92/1319611792.db2.gz SQPBHBBBEGEESM-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO CC[N@@H+](Cc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917614128 1319850032 /nfs/dbraw/zinc/85/00/32/1319850032.db2.gz YWILCTNQDRWNAP-UHFFFAOYSA-N 1 2 339.193 3.033 20 5 EGBDLO CC[N@H+](Cc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917614128 1319850040 /nfs/dbraw/zinc/85/00/40/1319850040.db2.gz YWILCTNQDRWNAP-UHFFFAOYSA-N 1 2 339.193 3.033 20 5 EGBDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839526098 1320932293 /nfs/dbraw/zinc/93/22/93/1320932293.db2.gz AVQNXGJISCNMBI-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839526098 1320932297 /nfs/dbraw/zinc/93/22/97/1320932297.db2.gz AVQNXGJISCNMBI-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000851397090 1323031324 /nfs/dbraw/zinc/03/13/24/1323031324.db2.gz DRVORBYNWDNQKV-UHFFFAOYSA-N 1 2 341.367 3.063 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000860044619 1329133013 /nfs/dbraw/zinc/13/30/13/1329133013.db2.gz LAUGQADDGRAZIV-FZMZJTMJSA-N 1 2 348.790 3.168 20 5 EGBDLO CC(C)=CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039503427 1345118207 /nfs/dbraw/zinc/11/82/07/1345118207.db2.gz XLGLGZNJNKXVEY-CALCHBBNSA-N 1 2 343.427 3.126 20 5 EGBDLO CC(C)=CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039503427 1345118208 /nfs/dbraw/zinc/11/82/08/1345118208.db2.gz XLGLGZNJNKXVEY-CALCHBBNSA-N 1 2 343.427 3.126 20 5 EGBDLO Cc1cc(C)c(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC001094912728 1361940806 /nfs/dbraw/zinc/94/08/06/1361940806.db2.gz AUSSYXAODQIOMC-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO O=[N+]([O-])c1ccccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001206165190 1370977104 /nfs/dbraw/zinc/97/71/04/1370977104.db2.gz ZFBURJXKOQRSBQ-UHFFFAOYSA-N 1 2 343.383 3.049 20 5 EGBDLO CCn1c[nH+]cc1COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001123375987 1372446737 /nfs/dbraw/zinc/44/67/37/1372446737.db2.gz ATGBPJFWWRQXGA-UHFFFAOYSA-N 1 2 343.261 3.187 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[NH2+]CC2(F)F)cc1Cl ZINC001218005128 1373534058 /nfs/dbraw/zinc/53/40/58/1373534058.db2.gz FFKPKIALPXPEGV-JTQLQIEISA-N 1 2 327.114 3.278 20 5 EGBDLO CC(C)(C)[NH+]1CC(Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227285720 1375416045 /nfs/dbraw/zinc/41/60/45/1375416045.db2.gz FKTALZOPWPIICN-UHFFFAOYSA-N 1 2 347.184 3.358 20 5 EGBDLO CCc1c(Cl)cc([N+](=O)[O-])c(OC[C@H]2C[N@H+](C)CCO2)c1Cl ZINC001228257428 1375535395 /nfs/dbraw/zinc/53/53/95/1375535395.db2.gz FMSMLCDMPUCBCL-SECBINFHSA-N 1 2 349.214 3.173 20 5 EGBDLO CCc1c(Cl)cc([N+](=O)[O-])c(OC[C@H]2C[N@@H+](C)CCO2)c1Cl ZINC001228257428 1375535398 /nfs/dbraw/zinc/53/53/98/1375535398.db2.gz FMSMLCDMPUCBCL-SECBINFHSA-N 1 2 349.214 3.173 20 5 EGBDLO Cc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001228832745 1375689114 /nfs/dbraw/zinc/68/91/14/1375689114.db2.gz BUFXBYYRIIUUQH-LJQANCHMSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001228832745 1375689116 /nfs/dbraw/zinc/68/91/16/1375689116.db2.gz BUFXBYYRIIUUQH-LJQANCHMSA-N 1 2 342.395 3.183 20 5 EGBDLO O=C(Nc1cc[nH+]c2c1CCC2)c1cccc2nc3ccccc3nc21 ZINC001153864755 1380146447 /nfs/dbraw/zinc/14/64/47/1380146447.db2.gz MHTONGHNMXDBQC-UHFFFAOYSA-N 1 2 340.386 3.341 20 5 EGBDLO C[N@@H+]1CCO[C@@H](CNc2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001155195630 1380423474 /nfs/dbraw/zinc/42/34/74/1380423474.db2.gz BBPOTILXYKNMBQ-AWEZNQCLSA-N 1 2 342.830 3.179 20 5 EGBDLO C[N@H+]1CCO[C@@H](CNc2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001155195630 1380423480 /nfs/dbraw/zinc/42/34/80/1380423480.db2.gz BBPOTILXYKNMBQ-AWEZNQCLSA-N 1 2 342.830 3.179 20 5 EGBDLO Cc1cccn2c([C@H](C)Nc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])c[nH+]c12 ZINC001160684202 1382170897 /nfs/dbraw/zinc/17/08/97/1382170897.db2.gz YTHUFYAVWFFFCW-JTQLQIEISA-N 1 2 342.315 3.027 20 5 EGBDLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001339114716 1389906892 /nfs/dbraw/zinc/90/68/92/1389906892.db2.gz WBXTUZWCUKDXIO-GFCCVEGCSA-N 1 2 331.397 3.148 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000054225570 214224207 /nfs/dbraw/zinc/22/42/07/214224207.db2.gz BIRBIIUOKOPCEU-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000180979314 234051494 /nfs/dbraw/zinc/05/14/94/234051494.db2.gz ZDBBGAFNWDPTTP-UHFFFAOYSA-N 1 2 328.372 3.003 20 5 EGBDLO COc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193608416 240231726 /nfs/dbraw/zinc/23/17/26/240231726.db2.gz YXQIAGBCHUTXFK-UHFFFAOYSA-N 1 2 331.328 3.144 20 5 EGBDLO COc1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193608416 240231733 /nfs/dbraw/zinc/23/17/33/240231733.db2.gz YXQIAGBCHUTXFK-UHFFFAOYSA-N 1 2 331.328 3.144 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000227684544 242130943 /nfs/dbraw/zinc/13/09/43/242130943.db2.gz LWFRKNJSRJNHOM-GHMZBOCLSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000227684544 242130947 /nfs/dbraw/zinc/13/09/47/242130947.db2.gz LWFRKNJSRJNHOM-GHMZBOCLSA-N 1 2 325.796 3.307 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCc4sccc4C3)o2)cc1 ZINC000021418641 212223008 /nfs/dbraw/zinc/22/30/08/212223008.db2.gz YXUDGHZHNRFJFT-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCc4sccc4C3)o2)cc1 ZINC000021418641 212223013 /nfs/dbraw/zinc/22/30/13/212223013.db2.gz YXUDGHZHNRFJFT-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000111375897 220148400 /nfs/dbraw/zinc/14/84/00/220148400.db2.gz SSNOTISNPXAFCU-GHMZBOCLSA-N 1 2 348.428 3.292 20 5 EGBDLO Cc1nc(CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000266505764 248335471 /nfs/dbraw/zinc/33/54/71/248335471.db2.gz BSFNWYBDIBUZPJ-CQSZACIVSA-N 1 2 344.415 3.078 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377691896 169061637 /nfs/dbraw/zinc/06/16/37/169061637.db2.gz FWHVXRMMCICKLC-ZWKOTPCHSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377691896 169061640 /nfs/dbraw/zinc/06/16/40/169061640.db2.gz FWHVXRMMCICKLC-ZWKOTPCHSA-N 1 2 334.416 3.098 20 5 EGBDLO Cc1ccnc(NCCCc2[nH+]c3ccccc3n2C)c1[N+](=O)[O-] ZINC000267205968 250831965 /nfs/dbraw/zinc/83/19/65/250831965.db2.gz GSGZBJDBYXEGIZ-UHFFFAOYSA-N 1 2 325.372 3.230 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)nc1-c1ccccc1 ZINC000341218987 141140473 /nfs/dbraw/zinc/14/04/73/141140473.db2.gz ZHKKEXRYYCTLCG-UHFFFAOYSA-N 1 2 345.362 3.339 20 5 EGBDLO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000173367767 144040610 /nfs/dbraw/zinc/04/06/10/144040610.db2.gz HOHIDMAQSHPYMU-RYUDHWBXSA-N 1 2 339.355 3.452 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000173772345 144048375 /nfs/dbraw/zinc/04/83/75/144048375.db2.gz RSWZLKPAWKYSDD-UHFFFAOYSA-N 1 2 345.321 3.116 20 5 EGBDLO COc1c(O)cccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000352692896 286187028 /nfs/dbraw/zinc/18/70/28/286187028.db2.gz PJOBXTLIZJVXHA-UHFFFAOYSA-N 1 2 328.368 3.474 20 5 EGBDLO COc1c(O)cccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000352692896 286187030 /nfs/dbraw/zinc/18/70/30/286187030.db2.gz PJOBXTLIZJVXHA-UHFFFAOYSA-N 1 2 328.368 3.474 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000358030417 292282300 /nfs/dbraw/zinc/28/23/00/292282300.db2.gz GOLXFABRCIKAMX-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000358030417 292282302 /nfs/dbraw/zinc/28/23/02/292282302.db2.gz GOLXFABRCIKAMX-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO Nc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000192783827 153259640 /nfs/dbraw/zinc/25/96/40/153259640.db2.gz MRRDFYCDCOQFQO-UHFFFAOYSA-N 1 2 327.319 3.114 20 5 EGBDLO Cc1[nH]c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2[nH+]1 ZINC000340040116 155079198 /nfs/dbraw/zinc/07/91/98/155079198.db2.gz QFKAPCMFOFWGNV-UHFFFAOYSA-N 1 2 349.350 3.442 20 5 EGBDLO CCOc1cccc(NC[C@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000365398036 157114233 /nfs/dbraw/zinc/11/42/33/157114233.db2.gz XUDOKTXOURYEOD-CYBMUJFWSA-N 1 2 330.388 3.488 20 5 EGBDLO COCCOc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338361 162003923 /nfs/dbraw/zinc/00/39/23/162003923.db2.gz DBCUUXOLJGQEBO-UHFFFAOYSA-N 1 2 342.395 3.178 20 5 EGBDLO COCCOc1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338361 162003926 /nfs/dbraw/zinc/00/39/26/162003926.db2.gz DBCUUXOLJGQEBO-UHFFFAOYSA-N 1 2 342.395 3.178 20 5 EGBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000125729210 162286477 /nfs/dbraw/zinc/28/64/77/162286477.db2.gz HVKXXUMSJBZKKN-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000125729210 162286479 /nfs/dbraw/zinc/28/64/79/162286479.db2.gz HVKXXUMSJBZKKN-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1C ZINC000338317767 163211084 /nfs/dbraw/zinc/21/10/84/163211084.db2.gz UVBVYJXQJQAHPB-UHFFFAOYSA-N 1 2 347.440 3.103 20 5 EGBDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cccc([N+](=O)[O-])c1C ZINC000338317767 163211086 /nfs/dbraw/zinc/21/10/86/163211086.db2.gz UVBVYJXQJQAHPB-UHFFFAOYSA-N 1 2 347.440 3.103 20 5 EGBDLO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)c(Br)c1 ZINC000338714371 163328882 /nfs/dbraw/zinc/32/88/82/163328882.db2.gz YNBQRCKHKHLXHS-UHFFFAOYSA-N 1 2 326.194 3.031 20 5 EGBDLO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)c(Br)c1 ZINC000338714371 163328885 /nfs/dbraw/zinc/32/88/85/163328885.db2.gz YNBQRCKHKHLXHS-UHFFFAOYSA-N 1 2 326.194 3.031 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000358940711 167013947 /nfs/dbraw/zinc/01/39/47/167013947.db2.gz WUKSZRNMIBSWTL-UHFFFAOYSA-N 1 2 340.314 3.304 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000359577396 167198976 /nfs/dbraw/zinc/19/89/76/167198976.db2.gz FEKMVWZLZBSDMK-UHFFFAOYSA-N 1 2 346.435 3.013 20 5 EGBDLO COC(=O)c1oc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000178002539 265291332 /nfs/dbraw/zinc/29/13/32/265291332.db2.gz FYJLLCKHLNSJME-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO COC(=O)c1oc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000178002539 265291336 /nfs/dbraw/zinc/29/13/36/265291336.db2.gz FYJLLCKHLNSJME-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775006 265340632 /nfs/dbraw/zinc/34/06/32/265340632.db2.gz IWDWSPIUIWDMBT-QLFBSQMISA-N 1 2 333.432 3.205 20 5 EGBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775006 265340634 /nfs/dbraw/zinc/34/06/34/265340634.db2.gz IWDWSPIUIWDMBT-QLFBSQMISA-N 1 2 333.432 3.205 20 5 EGBDLO COc1cc(C)nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000270876861 266568945 /nfs/dbraw/zinc/56/89/45/266568945.db2.gz KOVPYVFRUPNSQT-UHFFFAOYSA-N 1 2 327.384 3.471 20 5 EGBDLO COc1cc(C)nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000270876861 266568947 /nfs/dbraw/zinc/56/89/47/266568947.db2.gz KOVPYVFRUPNSQT-UHFFFAOYSA-N 1 2 327.384 3.471 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000274326516 267217796 /nfs/dbraw/zinc/21/77/96/267217796.db2.gz VGDZJKYPVCQPJB-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1O ZINC000083206554 275152496 /nfs/dbraw/zinc/15/24/96/275152496.db2.gz PSUMSXFHSFVOFB-UHFFFAOYSA-N 1 2 343.339 3.082 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1O ZINC000083206554 275152497 /nfs/dbraw/zinc/15/24/97/275152497.db2.gz PSUMSXFHSFVOFB-UHFFFAOYSA-N 1 2 343.339 3.082 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000279166857 275309307 /nfs/dbraw/zinc/30/93/07/275309307.db2.gz CJUCMAOYNRRGGD-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000288444905 276214796 /nfs/dbraw/zinc/21/47/96/276214796.db2.gz OOPMOOPWNBTFRI-ZDUSSCGKSA-N 1 2 332.408 3.068 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000289623017 276367857 /nfs/dbraw/zinc/36/78/57/276367857.db2.gz ROODFPDVZVVBRZ-HOTGVXAUSA-N 1 2 347.371 3.037 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000289623017 276367859 /nfs/dbraw/zinc/36/78/59/276367859.db2.gz ROODFPDVZVVBRZ-HOTGVXAUSA-N 1 2 347.371 3.037 20 5 EGBDLO C[C@@H](O)c1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000290312386 276478490 /nfs/dbraw/zinc/47/84/90/276478490.db2.gz IWWLPDRXYXUIIC-MRVPVSSYSA-N 1 2 327.793 3.048 20 5 EGBDLO Cc1ccnc(N2CCc3c([nH+]cn3-c3ccccc3)C2)c1[N+](=O)[O-] ZINC000349869603 278985966 /nfs/dbraw/zinc/98/59/66/278985966.db2.gz DLWXVXHVEOLGBK-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ccc([N+](=O)[O-])cn2)C3)cc1 ZINC000362950553 280746507 /nfs/dbraw/zinc/74/65/07/280746507.db2.gz DUAGEABBVUONHF-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361603376 281072242 /nfs/dbraw/zinc/07/22/42/281072242.db2.gz MOOIHPRJTJCHNH-CYBMUJFWSA-N 1 2 325.368 3.246 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361603376 281072244 /nfs/dbraw/zinc/07/22/44/281072244.db2.gz MOOIHPRJTJCHNH-CYBMUJFWSA-N 1 2 325.368 3.246 20 5 EGBDLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000414263189 309069388 /nfs/dbraw/zinc/06/93/88/309069388.db2.gz SLVCXKKUTGYRPS-VIFPVBQESA-N 1 2 326.278 3.254 20 5 EGBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000299682133 308684232 /nfs/dbraw/zinc/68/42/32/308684232.db2.gz LLHUKZULQLLGHO-UHFFFAOYSA-N 1 2 340.383 3.040 20 5 EGBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000301558014 308705032 /nfs/dbraw/zinc/70/50/32/308705032.db2.gz SUJQASYDPJSVLT-UHFFFAOYSA-N 1 2 337.177 3.110 20 5 EGBDLO C[C@@H]1CCC(C)(C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000411077432 308925757 /nfs/dbraw/zinc/92/57/57/308925757.db2.gz UDWAUIQFDCRZEG-GFCCVEGCSA-N 1 2 328.372 3.184 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000421762458 309338966 /nfs/dbraw/zinc/33/89/66/309338966.db2.gz NAICVTZXZLWPCE-UHFFFAOYSA-N 1 2 342.399 3.229 20 5 EGBDLO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2ccc3c(c2)CC[NH2+]3)n1 ZINC000423208100 309390490 /nfs/dbraw/zinc/39/04/90/309390490.db2.gz CYPAEZQVBUULHS-JKSUJKDBSA-N 1 2 327.388 3.355 20 5 EGBDLO CC(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448840218 310020477 /nfs/dbraw/zinc/02/04/77/310020477.db2.gz JDXJBERWDLXEDQ-OAHLLOKOSA-N 1 2 342.399 3.431 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000449571990 310072810 /nfs/dbraw/zinc/07/28/10/310072810.db2.gz LWORFYHTHGGHHE-QHCPKHFHSA-N 1 2 338.473 3.451 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000449571990 310072811 /nfs/dbraw/zinc/07/28/11/310072811.db2.gz LWORFYHTHGGHHE-QHCPKHFHSA-N 1 2 338.473 3.451 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450826615 310144347 /nfs/dbraw/zinc/14/43/47/310144347.db2.gz GKGQWVLAMAKKSU-GXFFZTMASA-N 1 2 330.344 3.004 20 5 EGBDLO CO[C@@H]([C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000450862356 310146463 /nfs/dbraw/zinc/14/64/63/310146463.db2.gz QSUASKUVSQPKEH-PXAZEXFGSA-N 1 2 342.399 3.008 20 5 EGBDLO CO[C@@H]1C[C@@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451867741 310201011 /nfs/dbraw/zinc/20/10/11/310201011.db2.gz OMAKALFZJCHCCT-HUUCEWRRSA-N 1 2 326.343 3.262 20 5 EGBDLO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451867741 310201012 /nfs/dbraw/zinc/20/10/12/310201012.db2.gz OMAKALFZJCHCCT-HUUCEWRRSA-N 1 2 326.343 3.262 20 5 EGBDLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000454369241 310305800 /nfs/dbraw/zinc/30/58/00/310305800.db2.gz SEWUSHMWQPEEKE-CYBMUJFWSA-N 1 2 328.372 3.167 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454944290 310336768 /nfs/dbraw/zinc/33/67/68/310336768.db2.gz QFHIPKGVQGYHNR-CMPLNLGQSA-N 1 2 329.360 3.236 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000455150867 310347366 /nfs/dbraw/zinc/34/73/66/310347366.db2.gz YQFMBVIITUOZAD-LBPRGKRZSA-N 1 2 331.376 3.311 20 5 EGBDLO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000459099184 310533532 /nfs/dbraw/zinc/53/35/32/310533532.db2.gz FXLGFOXXXRUDDV-BXUZGUMPSA-N 1 2 343.387 3.032 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000481157165 310907440 /nfs/dbraw/zinc/90/74/40/310907440.db2.gz UXGRGWGRHFSPNA-CQSZACIVSA-N 1 2 348.447 3.090 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000481157164 310907599 /nfs/dbraw/zinc/90/75/99/310907599.db2.gz UXGRGWGRHFSPNA-AWEZNQCLSA-N 1 2 348.447 3.090 20 5 EGBDLO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000488073912 311050340 /nfs/dbraw/zinc/05/03/40/311050340.db2.gz ATBPNEUKNJMBJK-AWEZNQCLSA-N 1 2 336.351 3.196 20 5 EGBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1[nH+]c2cccc(F)c2n1C ZINC000509466662 312117821 /nfs/dbraw/zinc/11/78/21/312117821.db2.gz VEOHJAXNWUMWCA-UHFFFAOYSA-N 1 2 328.347 3.300 20 5 EGBDLO CN(C(=O)C[NH2+]C1(C(F)F)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000510157671 312134785 /nfs/dbraw/zinc/13/47/85/312134785.db2.gz ADJZTZNCJZMFFG-UHFFFAOYSA-N 1 2 341.358 3.115 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCCOC2)O1 ZINC000514736182 312242674 /nfs/dbraw/zinc/24/26/74/312242674.db2.gz IDDGDBRYCSWHIJ-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCCOC2)O1 ZINC000514736182 312242675 /nfs/dbraw/zinc/24/26/75/312242675.db2.gz IDDGDBRYCSWHIJ-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO CCCC[C@@H](COC)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000524053246 312643407 /nfs/dbraw/zinc/64/34/07/312643407.db2.gz ZTGGPWUXZNZPFK-HNNXBMFYSA-N 1 2 344.415 3.399 20 5 EGBDLO Cc1c(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000537375163 314177287 /nfs/dbraw/zinc/17/72/87/314177287.db2.gz QWCXFDGYQKZADR-SFHVURJKSA-N 1 2 326.396 3.347 20 5 EGBDLO Cc1c(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000537375163 314177288 /nfs/dbraw/zinc/17/72/88/314177288.db2.gz QWCXFDGYQKZADR-SFHVURJKSA-N 1 2 326.396 3.347 20 5 EGBDLO CO[C@@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539232411 314302228 /nfs/dbraw/zinc/30/22/28/314302228.db2.gz FPEZOFHOWLAHDN-GDBMZVCRSA-N 1 2 342.399 3.009 20 5 EGBDLO Cn1c2c(cccc2F)[nH+]c1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548760786 315044401 /nfs/dbraw/zinc/04/44/01/315044401.db2.gz WRKXVXVHRNTUDH-UHFFFAOYSA-N 1 2 326.331 3.183 20 5 EGBDLO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(F)F ZINC000299564535 456729734 /nfs/dbraw/zinc/72/97/34/456729734.db2.gz OHCLUYJSBFAWKI-UHFFFAOYSA-N 1 2 329.347 3.209 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000016695360 453619408 /nfs/dbraw/zinc/61/94/08/453619408.db2.gz SJRNRUJQJZCJSJ-GFCCVEGCSA-N 1 2 346.305 3.236 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c2c(c1)COCO2 ZINC000016695360 453619412 /nfs/dbraw/zinc/61/94/12/453619412.db2.gz SJRNRUJQJZCJSJ-GFCCVEGCSA-N 1 2 346.305 3.236 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccco1 ZINC000023992917 453721214 /nfs/dbraw/zinc/72/12/14/453721214.db2.gz OCAQBDLOCKMQDK-JTQLQIEISA-N 1 2 337.763 3.300 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccco1 ZINC000023992917 453721221 /nfs/dbraw/zinc/72/12/21/453721221.db2.gz OCAQBDLOCKMQDK-JTQLQIEISA-N 1 2 337.763 3.300 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)cc1F ZINC000024946540 453752395 /nfs/dbraw/zinc/75/23/95/453752395.db2.gz XUHDCJZZLYIZME-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024946540 453752399 /nfs/dbraw/zinc/75/23/99/453752399.db2.gz XUHDCJZZLYIZME-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000026347870 453797764 /nfs/dbraw/zinc/79/77/64/453797764.db2.gz IMTNTHQJPYYPTH-SFHVURJKSA-N 1 2 339.395 3.047 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000026347870 453797765 /nfs/dbraw/zinc/79/77/65/453797765.db2.gz IMTNTHQJPYYPTH-SFHVURJKSA-N 1 2 339.395 3.047 20 5 EGBDLO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000030029101 453833622 /nfs/dbraw/zinc/83/36/22/453833622.db2.gz UIKNHGGCVKOAOA-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000030029101 453833623 /nfs/dbraw/zinc/83/36/23/453833623.db2.gz UIKNHGGCVKOAOA-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)cc1 ZINC000066372983 453840011 /nfs/dbraw/zinc/84/00/11/453840011.db2.gz SUPLBBZANOMCKT-SFHVURJKSA-N 1 2 345.374 3.219 20 5 EGBDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053125016 453859948 /nfs/dbraw/zinc/85/99/48/453859948.db2.gz HPIYOEXBNZCBHG-LLVKDONJSA-N 1 2 331.347 3.026 20 5 EGBDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053125016 453859952 /nfs/dbraw/zinc/85/99/52/453859952.db2.gz HPIYOEXBNZCBHG-LLVKDONJSA-N 1 2 331.347 3.026 20 5 EGBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000032935951 453898302 /nfs/dbraw/zinc/89/83/02/453898302.db2.gz DKNKJWJVCPAIMY-CQSZACIVSA-N 1 2 331.376 3.028 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075553433 453904144 /nfs/dbraw/zinc/90/41/44/453904144.db2.gz NGWWIZICERLKII-LLVKDONJSA-N 1 2 346.412 3.060 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000076118833 453967227 /nfs/dbraw/zinc/96/72/27/453967227.db2.gz XBLYZSFJPXDAJN-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000076118833 453967231 /nfs/dbraw/zinc/96/72/31/453967231.db2.gz XBLYZSFJPXDAJN-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000069161192 454083603 /nfs/dbraw/zinc/08/36/03/454083603.db2.gz RNRHSSCIKUXFDB-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc1 ZINC000057366522 454121971 /nfs/dbraw/zinc/12/19/71/454121971.db2.gz PHLZVSIVWHAVOL-SFHVURJKSA-N 1 2 345.374 3.219 20 5 EGBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000089910229 454232277 /nfs/dbraw/zinc/23/22/77/454232277.db2.gz KPDCHFXOIZWHAT-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000089910229 454232281 /nfs/dbraw/zinc/23/22/81/454232281.db2.gz KPDCHFXOIZWHAT-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC4(CCCC4)C3)co2)cc1 ZINC000089909987 454232468 /nfs/dbraw/zinc/23/24/68/454232468.db2.gz WNTCOUCMAIRCKQ-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC4(CCCC4)C3)co2)cc1 ZINC000089909987 454232470 /nfs/dbraw/zinc/23/24/70/454232470.db2.gz WNTCOUCMAIRCKQ-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000120838666 454354843 /nfs/dbraw/zinc/35/48/43/454354843.db2.gz CGGGOARYRZYOGS-CQSZACIVSA-N 1 2 343.387 3.105 20 5 EGBDLO Cc1csc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000063560048 454423849 /nfs/dbraw/zinc/42/38/49/454423849.db2.gz ZAXOBNCDNKROOP-UHFFFAOYSA-N 1 2 348.428 3.209 20 5 EGBDLO Cc1csc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000063560048 454423855 /nfs/dbraw/zinc/42/38/55/454423855.db2.gz ZAXOBNCDNKROOP-UHFFFAOYSA-N 1 2 348.428 3.209 20 5 EGBDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121891853 454490121 /nfs/dbraw/zinc/49/01/21/454490121.db2.gz LWJZBGNQFZRBQY-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000121891853 454490125 /nfs/dbraw/zinc/49/01/25/454490125.db2.gz LWJZBGNQFZRBQY-GOSISDBHSA-N 1 2 339.395 3.032 20 5 EGBDLO C[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134146071 454508568 /nfs/dbraw/zinc/50/85/68/454508568.db2.gz MQJDCHVDVCYSCC-DYVFJYSZSA-N 1 2 337.383 3.427 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092753764 454625116 /nfs/dbraw/zinc/62/51/16/454625116.db2.gz FRJIMGVKQSNELO-UHFFFAOYSA-N 1 2 336.310 3.386 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092753764 454625120 /nfs/dbraw/zinc/62/51/20/454625120.db2.gz FRJIMGVKQSNELO-UHFFFAOYSA-N 1 2 336.310 3.386 20 5 EGBDLO Cc1[nH]c2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2[nH+]1 ZINC000065841867 454629462 /nfs/dbraw/zinc/62/94/62/454629462.db2.gz NSBVEKPNDMRIOT-UHFFFAOYSA-N 1 2 349.350 3.373 20 5 EGBDLO Cc1cc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000074763581 454631439 /nfs/dbraw/zinc/63/14/39/454631439.db2.gz KVFOPNLUXNFUQJ-AWEZNQCLSA-N 1 2 336.342 3.291 20 5 EGBDLO CN(C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000135237322 454650992 /nfs/dbraw/zinc/65/09/92/454650992.db2.gz GGALFYNRRNJJKH-UHFFFAOYSA-N 1 2 339.395 3.222 20 5 EGBDLO CN(C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000135237322 454650995 /nfs/dbraw/zinc/65/09/95/454650995.db2.gz GGALFYNRRNJJKH-UHFFFAOYSA-N 1 2 339.395 3.222 20 5 EGBDLO CN(C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCCC1 ZINC000135236846 454651402 /nfs/dbraw/zinc/65/14/02/454651402.db2.gz WHKBKGQKMQERRQ-UHFFFAOYSA-N 1 2 345.443 3.350 20 5 EGBDLO CN(C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCCC1 ZINC000135236846 454651408 /nfs/dbraw/zinc/65/14/08/454651408.db2.gz WHKBKGQKMQERRQ-UHFFFAOYSA-N 1 2 345.443 3.350 20 5 EGBDLO CC1CCC(NC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000135237350 454651449 /nfs/dbraw/zinc/65/14/49/454651449.db2.gz XJGMHTFPLHTWPI-UHFFFAOYSA-N 1 2 345.443 3.254 20 5 EGBDLO CC1CCC(NC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000135237350 454651451 /nfs/dbraw/zinc/65/14/51/454651451.db2.gz XJGMHTFPLHTWPI-UHFFFAOYSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000093228217 454694585 /nfs/dbraw/zinc/69/45/85/454694585.db2.gz BPNVORANHJEQFT-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000093228217 454694588 /nfs/dbraw/zinc/69/45/88/454694588.db2.gz BPNVORANHJEQFT-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000093287135 454700108 /nfs/dbraw/zinc/70/01/08/454700108.db2.gz NZPBCBPWAQHJET-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000093287135 454700110 /nfs/dbraw/zinc/70/01/10/454700110.db2.gz NZPBCBPWAQHJET-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162731478 454797562 /nfs/dbraw/zinc/79/75/62/454797562.db2.gz YNAYBCLYHYJUMI-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000127061925 454934795 /nfs/dbraw/zinc/93/47/95/454934795.db2.gz YXQCGQNSUOMZOT-XJKSGUPXSA-N 1 2 343.387 3.215 20 5 EGBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000172589144 455163729 /nfs/dbraw/zinc/16/37/29/455163729.db2.gz SZPWESDXZZONDW-VIFPVBQESA-N 1 2 348.371 3.142 20 5 EGBDLO COc1cc(C[N@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000172589144 455163730 /nfs/dbraw/zinc/16/37/30/455163730.db2.gz SZPWESDXZZONDW-VIFPVBQESA-N 1 2 348.371 3.142 20 5 EGBDLO Cc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000182872147 455180533 /nfs/dbraw/zinc/18/05/33/455180533.db2.gz PIWDGTQRSYAEBJ-CQSZACIVSA-N 1 2 342.399 3.308 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000182942383 455196052 /nfs/dbraw/zinc/19/60/52/455196052.db2.gz OWIPQLGOGOPDCL-MRXNPFEDSA-N 1 2 340.427 3.177 20 5 EGBDLO O=C(N[C@H]1CC12CCCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180637162 455215333 /nfs/dbraw/zinc/21/53/33/455215333.db2.gz XHHDRUOEHYSNPF-INIZCTEOSA-N 1 2 340.383 3.233 20 5 EGBDLO CCn1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000265458842 455328567 /nfs/dbraw/zinc/32/85/67/455328567.db2.gz GFOKZWJVVGKUHJ-UHFFFAOYSA-N 1 2 343.412 3.225 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)CCc2ccccc2)cc1 ZINC000184706366 455432398 /nfs/dbraw/zinc/43/23/98/455432398.db2.gz ZDIAGRGYAZSLQJ-SFHVURJKSA-N 1 2 337.379 3.452 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000182612937 455553204 /nfs/dbraw/zinc/55/32/04/455553204.db2.gz SRYZYKWBSBMBDX-AWEZNQCLSA-N 1 2 333.432 3.155 20 5 EGBDLO COc1cccc2c1CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000182708510 455572946 /nfs/dbraw/zinc/57/29/46/455572946.db2.gz NIVWWVNZFFPIEI-UHFFFAOYSA-N 1 2 339.351 3.303 20 5 EGBDLO COc1cccc2c1CC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000182708510 455572948 /nfs/dbraw/zinc/57/29/48/455572948.db2.gz NIVWWVNZFFPIEI-UHFFFAOYSA-N 1 2 339.351 3.303 20 5 EGBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000270074516 455871977 /nfs/dbraw/zinc/87/19/77/455871977.db2.gz SSDRTXIORNXZDO-AWEZNQCLSA-N 1 2 337.383 3.317 20 5 EGBDLO CC[N@@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC000288212047 456089858 /nfs/dbraw/zinc/08/98/58/456089858.db2.gz CJBQLHRSFZIJBH-CQSZACIVSA-N 1 2 349.434 3.260 20 5 EGBDLO CC[N@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@H](C)C1 ZINC000288212047 456089860 /nfs/dbraw/zinc/08/98/60/456089860.db2.gz CJBQLHRSFZIJBH-CQSZACIVSA-N 1 2 349.434 3.260 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000289824639 456145440 /nfs/dbraw/zinc/14/54/40/456145440.db2.gz OIBCQULHYIUBAS-JQWIXIFHSA-N 1 2 341.358 3.207 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000289824639 456145448 /nfs/dbraw/zinc/14/54/48/456145448.db2.gz OIBCQULHYIUBAS-JQWIXIFHSA-N 1 2 341.358 3.207 20 5 EGBDLO COc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000301924241 456251902 /nfs/dbraw/zinc/25/19/02/456251902.db2.gz GMAOTDNWKMQWAK-UHFFFAOYSA-N 1 2 346.362 3.350 20 5 EGBDLO Cc1ccc([C@@H](CNc2sccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000301990103 456265595 /nfs/dbraw/zinc/26/55/95/456265595.db2.gz MMQABCLTGMOVRU-MRXNPFEDSA-N 1 2 347.440 3.450 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352772185 456293653 /nfs/dbraw/zinc/29/36/53/456293653.db2.gz PVTRNOUPBBZUBD-AWEZNQCLSA-N 1 2 342.380 3.241 20 5 EGBDLO Cc1cccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000302501868 456351045 /nfs/dbraw/zinc/35/10/45/456351045.db2.gz OXUNOWSJYDOUOX-GOSISDBHSA-N 1 2 341.411 3.389 20 5 EGBDLO Cc1ccc([C@H](C)NC(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000353326805 456641441 /nfs/dbraw/zinc/64/14/41/456641441.db2.gz DCRZWOAZCKYGBV-LBPRGKRZSA-N 1 2 339.355 3.434 20 5 EGBDLO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(F)F ZINC000299564535 456729728 /nfs/dbraw/zinc/72/97/28/456729728.db2.gz OHCLUYJSBFAWKI-UHFFFAOYSA-N 1 2 329.347 3.209 20 5 EGBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299662745 456757983 /nfs/dbraw/zinc/75/79/83/456757983.db2.gz NLJUDMGKKMLXIQ-OAHLLOKOSA-N 1 2 339.355 3.167 20 5 EGBDLO CCCc1nc(C)c(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000291796438 456760491 /nfs/dbraw/zinc/76/04/91/456760491.db2.gz WSVLJNRFAYFANZ-UHFFFAOYSA-N 1 2 349.387 3.151 20 5 EGBDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000353595381 456791069 /nfs/dbraw/zinc/79/10/69/456791069.db2.gz JTVGRCHAPFJTGR-UHFFFAOYSA-N 1 2 342.355 3.033 20 5 EGBDLO Cc1cc(NC[C@H](O)c2ccco2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301093372 456795553 /nfs/dbraw/zinc/79/55/53/456795553.db2.gz IDAFPNVUOUESPS-AWEZNQCLSA-N 1 2 340.339 3.099 20 5 EGBDLO CCO[C@@H](C)c1noc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000353971864 456984520 /nfs/dbraw/zinc/98/45/20/456984520.db2.gz MGONMRBKSJLSKK-XOVSCCBYSA-N 1 2 346.387 3.221 20 5 EGBDLO CCO[C@@H](C)c1noc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000353971864 456984523 /nfs/dbraw/zinc/98/45/23/456984523.db2.gz MGONMRBKSJLSKK-XOVSCCBYSA-N 1 2 346.387 3.221 20 5 EGBDLO CO[C@@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000359898331 457140117 /nfs/dbraw/zinc/14/01/17/457140117.db2.gz LEMYYKREKLVBBI-MRXNPFEDSA-N 1 2 342.399 3.366 20 5 EGBDLO COc1ccc(C)cc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352675288 457521243 /nfs/dbraw/zinc/52/12/43/457521243.db2.gz FRUYINKKZFGXKK-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1ccc(C)cc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352675288 457521246 /nfs/dbraw/zinc/52/12/46/457521246.db2.gz FRUYINKKZFGXKK-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO CC(=O)c1ccc(NCC2CC[NH+](CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000408518699 457576140 /nfs/dbraw/zinc/57/61/40/457576140.db2.gz VOILKZZFEZQFRT-UHFFFAOYSA-N 1 2 341.358 3.186 20 5 EGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000444684289 457940363 /nfs/dbraw/zinc/94/03/63/457940363.db2.gz JEYKDMNLHPQNNX-OAHLLOKOSA-N 1 2 344.371 3.104 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000362342824 458115925 /nfs/dbraw/zinc/11/59/25/458115925.db2.gz CKRJGLVFYNNQMT-UHFFFAOYSA-N 1 2 338.367 3.454 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000369290304 458159160 /nfs/dbraw/zinc/15/91/60/458159160.db2.gz LAWURTBLSNJDBL-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000369290304 458159165 /nfs/dbraw/zinc/15/91/65/458159165.db2.gz LAWURTBLSNJDBL-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO Cc1nc2ccccc2nc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446725409 458219262 /nfs/dbraw/zinc/21/92/62/458219262.db2.gz JPBMUBKKTTVXBZ-UHFFFAOYSA-N 1 2 334.379 3.405 20 5 EGBDLO Cc1nc2ccccc2nc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446725409 458219268 /nfs/dbraw/zinc/21/92/68/458219268.db2.gz JPBMUBKKTTVXBZ-UHFFFAOYSA-N 1 2 334.379 3.405 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429159124 458284085 /nfs/dbraw/zinc/28/40/85/458284085.db2.gz FEBAQJBXNGTEDC-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429159124 458284093 /nfs/dbraw/zinc/28/40/93/458284093.db2.gz FEBAQJBXNGTEDC-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO CC1(C)CCCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447812615 458345434 /nfs/dbraw/zinc/34/54/34/458345434.db2.gz MWRUKAOJQWTGAI-UHFFFAOYSA-N 1 2 347.459 3.444 20 5 EGBDLO C[C@H]1CCC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817394 458347252 /nfs/dbraw/zinc/34/72/52/458347252.db2.gz NZVSESKPUUIJOA-HOCLYGCPSA-N 1 2 333.432 3.418 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000430225858 458424122 /nfs/dbraw/zinc/42/41/22/458424122.db2.gz ZFENBNONFTZRGY-OAHLLOKOSA-N 1 2 346.387 3.351 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000430230401 458425480 /nfs/dbraw/zinc/42/54/80/458425480.db2.gz YNOWPICGPHAIKX-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CCCn1nc(C)c(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000459619815 458428830 /nfs/dbraw/zinc/42/88/30/458428830.db2.gz JERPUUJXKXGZGW-UHFFFAOYSA-N 1 2 344.415 3.081 20 5 EGBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3scnc3C3CC3)C2)cc1 ZINC000459617043 458429084 /nfs/dbraw/zinc/42/90/84/458429084.db2.gz BOOQOGMOCDCILO-UHFFFAOYSA-N 1 2 331.397 3.192 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494222826 458642175 /nfs/dbraw/zinc/64/21/75/458642175.db2.gz IPKWRUIUDMIQTL-GFCCVEGCSA-N 1 2 341.358 3.209 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494222826 458642180 /nfs/dbraw/zinc/64/21/80/458642180.db2.gz IPKWRUIUDMIQTL-GFCCVEGCSA-N 1 2 341.358 3.209 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456371015 458651814 /nfs/dbraw/zinc/65/18/14/458651814.db2.gz DQTJKWYCHZUEFQ-NEPJUHHUSA-N 1 2 348.428 3.169 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494291317 458654215 /nfs/dbraw/zinc/65/42/15/458654215.db2.gz VKASQSPDIOWCPK-GFCCVEGCSA-N 1 2 341.358 3.209 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494291317 458654225 /nfs/dbraw/zinc/65/42/25/458654225.db2.gz VKASQSPDIOWCPK-GFCCVEGCSA-N 1 2 341.358 3.209 20 5 EGBDLO O=[N+]([O-])c1cccc2c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)ccnc21 ZINC000432135930 458687150 /nfs/dbraw/zinc/68/71/50/458687150.db2.gz NNABTFVOEFHYGR-CQSZACIVSA-N 1 2 336.351 3.196 20 5 EGBDLO Cn1cc(C(C)(C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000547413763 458734294 /nfs/dbraw/zinc/73/42/94/458734294.db2.gz SDTJJOFNRIRFFA-UHFFFAOYSA-N 1 2 341.371 3.008 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccccc1 ZINC000471821752 458737869 /nfs/dbraw/zinc/73/78/69/458737869.db2.gz MOEUTTSEILOELX-UHFFFAOYSA-N 1 2 327.384 3.039 20 5 EGBDLO CSc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000456857280 458802736 /nfs/dbraw/zinc/80/27/36/458802736.db2.gz KIXCHJYKHUZHSU-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c2c(c1)COCO2 ZINC000530724929 458817963 /nfs/dbraw/zinc/81/79/63/458817963.db2.gz SKSVXPXKJVEKCL-KRWDZBQOSA-N 1 2 341.367 3.193 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c2c(c1)COCO2 ZINC000530724929 458817965 /nfs/dbraw/zinc/81/79/65/458817965.db2.gz SKSVXPXKJVEKCL-KRWDZBQOSA-N 1 2 341.367 3.193 20 5 EGBDLO CCC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)(C(=O)OC)CC1 ZINC000440910187 458864579 /nfs/dbraw/zinc/86/45/79/458864579.db2.gz HODQDQCFVFMSMZ-UHFFFAOYSA-N 1 2 334.416 3.239 20 5 EGBDLO Cc1noc(C[N@H+](C)CCOc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000595284872 459266808 /nfs/dbraw/zinc/26/68/08/459266808.db2.gz HWMFYFZYMCGBTD-UHFFFAOYSA-N 1 2 325.752 3.055 20 5 EGBDLO Cc1noc(C[N@@H+](C)CCOc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000595284872 459266814 /nfs/dbraw/zinc/26/68/14/459266814.db2.gz HWMFYFZYMCGBTD-UHFFFAOYSA-N 1 2 325.752 3.055 20 5 EGBDLO C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568450323 459288682 /nfs/dbraw/zinc/28/86/82/459288682.db2.gz SWMAZXPQAUKPGL-YOEHRIQHSA-N 1 2 334.416 3.385 20 5 EGBDLO C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568450323 459288685 /nfs/dbraw/zinc/28/86/85/459288685.db2.gz SWMAZXPQAUKPGL-YOEHRIQHSA-N 1 2 334.416 3.385 20 5 EGBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482566291 459315587 /nfs/dbraw/zinc/31/55/87/459315587.db2.gz PVNQJBOMPKGIOK-LLVKDONJSA-N 1 2 334.397 3.317 20 5 EGBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482566291 459315591 /nfs/dbraw/zinc/31/55/91/459315591.db2.gz PVNQJBOMPKGIOK-LLVKDONJSA-N 1 2 334.397 3.317 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(CCCC3)O1)CCO2 ZINC000562072365 459508869 /nfs/dbraw/zinc/50/88/69/459508869.db2.gz NLIYKKAHXRYDIC-MRXNPFEDSA-N 1 2 332.400 3.281 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(CCCC3)O1)CCO2 ZINC000562072365 459508876 /nfs/dbraw/zinc/50/88/76/459508876.db2.gz NLIYKKAHXRYDIC-MRXNPFEDSA-N 1 2 332.400 3.281 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000596357730 459606535 /nfs/dbraw/zinc/60/65/35/459606535.db2.gz SEDYZKNHFHYVGD-UHFFFAOYSA-N 1 2 328.372 3.211 20 5 EGBDLO C[C@H](Nc1c(Br)cccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596542707 459671160 /nfs/dbraw/zinc/67/11/60/459671160.db2.gz OYKRANBZKDQBEL-QMMMGPOBSA-N 1 2 325.166 3.264 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1Br ZINC000602484545 459961864 /nfs/dbraw/zinc/96/18/64/459961864.db2.gz OHKHBCOSURVFTP-GFCCVEGCSA-N 1 2 347.234 3.031 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1Br ZINC000602484545 459961862 /nfs/dbraw/zinc/96/18/62/459961862.db2.gz OHKHBCOSURVFTP-GFCCVEGCSA-N 1 2 347.234 3.031 20 5 EGBDLO COc1cccnc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602681072 460061524 /nfs/dbraw/zinc/06/15/24/460061524.db2.gz JGDMLWMHUWOWRW-UHFFFAOYSA-N 1 2 341.289 3.307 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](OC4CCC4)C3)nc2c1 ZINC000594026726 460061610 /nfs/dbraw/zinc/06/16/10/460061610.db2.gz NXLRAUBSGYRGNY-CQSZACIVSA-N 1 2 330.388 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](OC4CCC4)C3)nc2c1 ZINC000594026726 460061614 /nfs/dbraw/zinc/06/16/14/460061614.db2.gz NXLRAUBSGYRGNY-CQSZACIVSA-N 1 2 330.388 3.005 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ncccn2)ccc1[N+](=O)[O-] ZINC000602900755 460177018 /nfs/dbraw/zinc/17/70/18/460177018.db2.gz VDVVHTVTJFHIKB-HNNXBMFYSA-N 1 2 328.372 3.121 20 5 EGBDLO CCOc1cc(C[N@H+]2CCC[C@H]2c2ncccn2)ccc1[N+](=O)[O-] ZINC000602900755 460177022 /nfs/dbraw/zinc/17/70/22/460177022.db2.gz VDVVHTVTJFHIKB-HNNXBMFYSA-N 1 2 328.372 3.121 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000616122826 460478664 /nfs/dbraw/zinc/47/86/64/460478664.db2.gz VYTZACNZQNTCDF-CQSZACIVSA-N 1 2 343.387 3.277 20 5 EGBDLO O=C(C[NH+]1CCC(c2ccsc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000186927129 534521013 /nfs/dbraw/zinc/52/10/13/534521013.db2.gz VEGRVNYWGRLJEN-UHFFFAOYSA-N 1 2 345.424 3.474 20 5 EGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000132288634 526594401 /nfs/dbraw/zinc/59/44/01/526594401.db2.gz LJNXEOBPUFTSNO-UHFFFAOYSA-N 1 2 329.356 3.348 20 5 EGBDLO C[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000735957569 575740833 /nfs/dbraw/zinc/74/08/33/575740833.db2.gz RAZKBAMWWKBGSS-CQSZACIVSA-N 1 2 340.379 3.085 20 5 EGBDLO C[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000735957569 575740834 /nfs/dbraw/zinc/74/08/34/575740834.db2.gz RAZKBAMWWKBGSS-CQSZACIVSA-N 1 2 340.379 3.085 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000745100651 576841146 /nfs/dbraw/zinc/84/11/46/576841146.db2.gz MOWMTLTVQRGZRF-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000745100651 576841147 /nfs/dbraw/zinc/84/11/47/576841147.db2.gz MOWMTLTVQRGZRF-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO C[C@H]1COc2ccccc2C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000782286718 1304947637 /nfs/dbraw/zinc/94/76/37/1304947637.db2.gz DVYJANHTMRVKDN-ZDUSSCGKSA-N 1 2 338.367 3.185 20 5 EGBDLO C[C@H]1COc2ccccc2C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000782286718 1304947641 /nfs/dbraw/zinc/94/76/41/1304947641.db2.gz DVYJANHTMRVKDN-ZDUSSCGKSA-N 1 2 338.367 3.185 20 5 EGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000077509873 1292470017 /nfs/dbraw/zinc/47/00/17/1292470017.db2.gz ANXZPUQSFPTZQX-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000113684506 1293156205 /nfs/dbraw/zinc/15/62/05/1293156205.db2.gz IHTUQMIXEDOYGB-LBPRGKRZSA-N 1 2 338.323 3.094 20 5 EGBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000835077040 1293202238 /nfs/dbraw/zinc/20/22/38/1293202238.db2.gz HOEQASXVAKVLMH-UHFFFAOYSA-N 1 2 343.811 3.205 20 5 EGBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000835077040 1293202239 /nfs/dbraw/zinc/20/22/39/1293202239.db2.gz HOEQASXVAKVLMH-UHFFFAOYSA-N 1 2 343.811 3.205 20 5 EGBDLO CN(C)c1cc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000755884805 1300408125 /nfs/dbraw/zinc/40/81/25/1300408125.db2.gz CLPCXNOXUVMPLW-UHFFFAOYSA-N 1 2 335.747 3.066 20 5 EGBDLO CN(C)c1cc(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000755904799 1300413452 /nfs/dbraw/zinc/41/34/52/1300413452.db2.gz ILARXQNKRZZMEN-UHFFFAOYSA-N 1 2 335.747 3.066 20 5 EGBDLO C[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000759140845 1301023765 /nfs/dbraw/zinc/02/37/65/1301023765.db2.gz WOWDKENTNOZZPZ-SWLSCSKDSA-N 1 2 345.428 3.071 20 5 EGBDLO Cn1nnc2cc(C[N@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000759612767 1301128235 /nfs/dbraw/zinc/12/82/35/1301128235.db2.gz AYCCBKBMXIRKGW-UHFFFAOYSA-N 1 2 345.790 3.162 20 5 EGBDLO Cn1nnc2cc(C[N@@H+](C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000759612767 1301128241 /nfs/dbraw/zinc/12/82/41/1301128241.db2.gz AYCCBKBMXIRKGW-UHFFFAOYSA-N 1 2 345.790 3.162 20 5 EGBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC000761505908 1301487598 /nfs/dbraw/zinc/48/75/98/1301487598.db2.gz IACMJTKPVQDETF-UHFFFAOYSA-N 1 2 335.791 3.159 20 5 EGBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000768261451 1302869697 /nfs/dbraw/zinc/86/96/97/1302869697.db2.gz CTZXCOJMOOXNMN-SECBINFHSA-N 1 2 331.235 3.295 20 5 EGBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000768261451 1302869707 /nfs/dbraw/zinc/86/97/07/1302869707.db2.gz CTZXCOJMOOXNMN-SECBINFHSA-N 1 2 331.235 3.295 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c(OC)c1 ZINC000885932811 1303283844 /nfs/dbraw/zinc/28/38/44/1303283844.db2.gz CNHJEBCOWLCPSO-INIZCTEOSA-N 1 2 343.383 3.344 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])c(OC)c1 ZINC000885932811 1303283848 /nfs/dbraw/zinc/28/38/48/1303283848.db2.gz CNHJEBCOWLCPSO-INIZCTEOSA-N 1 2 343.383 3.344 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000886247581 1303412444 /nfs/dbraw/zinc/41/24/44/1303412444.db2.gz VGWCFYHKRHLMRX-KRWDZBQOSA-N 1 2 339.395 3.344 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000886247581 1303412447 /nfs/dbraw/zinc/41/24/47/1303412447.db2.gz VGWCFYHKRHLMRX-KRWDZBQOSA-N 1 2 339.395 3.344 20 5 EGBDLO COc1cc2c(cc1O)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000887108237 1303678859 /nfs/dbraw/zinc/67/88/59/1303678859.db2.gz AFAZKZDKRCYXGY-UHFFFAOYSA-N 1 2 328.368 3.176 20 5 EGBDLO COc1cc2c(cc1O)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000887108237 1303678866 /nfs/dbraw/zinc/67/88/66/1303678866.db2.gz AFAZKZDKRCYXGY-UHFFFAOYSA-N 1 2 328.368 3.176 20 5 EGBDLO COc1ccc2cc(C[N@H+](C)Cn3cc([N+](=O)[O-])c(C)n3)ccc2c1 ZINC000779859708 1304615951 /nfs/dbraw/zinc/61/59/51/1304615951.db2.gz LKDGNSRAWJVEJK-UHFFFAOYSA-N 1 2 340.383 3.351 20 5 EGBDLO COc1ccc2cc(C[N@@H+](C)Cn3cc([N+](=O)[O-])c(C)n3)ccc2c1 ZINC000779859708 1304615956 /nfs/dbraw/zinc/61/59/56/1304615956.db2.gz LKDGNSRAWJVEJK-UHFFFAOYSA-N 1 2 340.383 3.351 20 5 EGBDLO Cc1nn(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000779863280 1304616188 /nfs/dbraw/zinc/61/61/88/1304616188.db2.gz NICVYSWQLZYNIR-UHFFFAOYSA-N 1 2 336.436 3.119 20 5 EGBDLO Cc1cc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000781170103 1304783048 /nfs/dbraw/zinc/78/30/48/1304783048.db2.gz FTDOURDSPJCORE-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000783565531 1305108319 /nfs/dbraw/zinc/10/83/19/1305108319.db2.gz BZGZSKOKRDVDDX-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000783565531 1305108322 /nfs/dbraw/zinc/10/83/22/1305108322.db2.gz BZGZSKOKRDVDDX-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000786581580 1305603441 /nfs/dbraw/zinc/60/34/41/1305603441.db2.gz OZXUBTPFFOHDJL-CHWSQXEVSA-N 1 2 349.431 3.097 20 5 EGBDLO CCOCCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896434 1309252689 /nfs/dbraw/zinc/25/26/89/1309252689.db2.gz HPBKRDDNCFIZDM-UHFFFAOYSA-N 1 2 343.221 3.142 20 5 EGBDLO CCOCCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896434 1309252696 /nfs/dbraw/zinc/25/26/96/1309252696.db2.gz HPBKRDDNCFIZDM-UHFFFAOYSA-N 1 2 343.221 3.142 20 5 EGBDLO CO[C@@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000794654883 1309565159 /nfs/dbraw/zinc/56/51/59/1309565159.db2.gz JFTGRQGPUPZCHG-HNNXBMFYSA-N 1 2 338.795 3.056 20 5 EGBDLO CO[C@@]1(C)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000794654883 1309565163 /nfs/dbraw/zinc/56/51/63/1309565163.db2.gz JFTGRQGPUPZCHG-HNNXBMFYSA-N 1 2 338.795 3.056 20 5 EGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCCCF)CC2 ZINC000796060793 1309896781 /nfs/dbraw/zinc/89/67/81/1309896781.db2.gz JABLAUDVZAFZAD-UHFFFAOYSA-N 1 2 331.185 3.465 20 5 EGBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCCCF)CC2 ZINC000796060793 1309896787 /nfs/dbraw/zinc/89/67/87/1309896787.db2.gz JABLAUDVZAFZAD-UHFFFAOYSA-N 1 2 331.185 3.465 20 5 EGBDLO CCn1c[nH+]c2c1CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C2 ZINC000897336462 1310298164 /nfs/dbraw/zinc/29/81/64/1310298164.db2.gz GLYMVYPQOVRRIO-UHFFFAOYSA-N 1 2 328.416 3.493 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000798965427 1310465606 /nfs/dbraw/zinc/46/56/06/1310465606.db2.gz XKPKQHXBHGTGGR-LLVKDONJSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000798965427 1310465610 /nfs/dbraw/zinc/46/56/10/1310465610.db2.gz XKPKQHXBHGTGGR-LLVKDONJSA-N 1 2 343.221 3.358 20 5 EGBDLO CCOC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000801523356 1310952397 /nfs/dbraw/zinc/95/23/97/1310952397.db2.gz GFMYEFBHQYFNPL-UHFFFAOYSA-N 1 2 338.379 3.432 20 5 EGBDLO CCOC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000801523356 1310952405 /nfs/dbraw/zinc/95/24/05/1310952405.db2.gz GFMYEFBHQYFNPL-UHFFFAOYSA-N 1 2 338.379 3.432 20 5 EGBDLO C[N@@H+](CCn1cc(Cl)cn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000838871676 1320827888 /nfs/dbraw/zinc/82/78/88/1320827888.db2.gz RJNJUODGJVWWAG-UHFFFAOYSA-N 1 2 329.187 3.230 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cn2cccc(C)c2[nH+]1 ZINC000804530397 1317255517 /nfs/dbraw/zinc/25/55/17/1317255517.db2.gz CNYHAARAEWOCGB-UHFFFAOYSA-N 1 2 338.367 3.408 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000811483986 1318183460 /nfs/dbraw/zinc/18/34/60/1318183460.db2.gz SYCCHPLHAKSUSE-NSHDSACASA-N 1 2 341.198 3.272 20 5 EGBDLO Cc1nn(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000811776125 1318261638 /nfs/dbraw/zinc/26/16/38/1318261638.db2.gz AMBVJQNZGOKANA-DLBZAZTESA-N 1 2 344.415 3.100 20 5 EGBDLO Cc1nn(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000811776125 1318261649 /nfs/dbraw/zinc/26/16/49/1318261649.db2.gz AMBVJQNZGOKANA-DLBZAZTESA-N 1 2 344.415 3.100 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820858974 1319969326 /nfs/dbraw/zinc/96/93/26/1319969326.db2.gz CYBJGWUQJSSKMB-WBMJQRKESA-N 1 2 342.399 3.131 20 5 EGBDLO C[N@H+](CCn1cc(Cl)cn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000838871676 1320827881 /nfs/dbraw/zinc/82/78/81/1320827881.db2.gz RJNJUODGJVWWAG-UHFFFAOYSA-N 1 2 329.187 3.230 20 5 EGBDLO Cc1ccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1C ZINC000840149055 1321039385 /nfs/dbraw/zinc/03/93/85/1321039385.db2.gz ZNIJYYMZLQFANZ-UHFFFAOYSA-N 1 2 341.367 3.209 20 5 EGBDLO Cc1ccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1C ZINC000840149055 1321039388 /nfs/dbraw/zinc/03/93/88/1321039388.db2.gz ZNIJYYMZLQFANZ-UHFFFAOYSA-N 1 2 341.367 3.209 20 5 EGBDLO COC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000852445449 1323192274 /nfs/dbraw/zinc/19/22/74/1323192274.db2.gz CIMUACSPNCANKX-INIZCTEOSA-N 1 2 334.347 3.220 20 5 EGBDLO Cc1cc(CNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)cc(C)[nH+]1 ZINC000854961011 1325328066 /nfs/dbraw/zinc/32/80/66/1325328066.db2.gz PMILJLUKBRMECD-UHFFFAOYSA-N 1 2 335.310 3.123 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(-n4cc[nH+]c4)cc3)o2)c1 ZINC001324018903 1387511467 /nfs/dbraw/zinc/51/14/67/1387511467.db2.gz AERBTMLHGOAFPD-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001123317034 1372423083 /nfs/dbraw/zinc/42/30/83/1372423083.db2.gz CTMYFJGDVAGGRY-UHFFFAOYSA-N 1 2 343.387 3.048 20 5 EGBDLO CCOC(=O)c1cc(Nc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])c1 ZINC001211371704 1372542522 /nfs/dbraw/zinc/54/25/22/1372542522.db2.gz RJFOVPADQMTSFG-UHFFFAOYSA-N 1 2 326.312 3.163 20 5 EGBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001124126185 1372676788 /nfs/dbraw/zinc/67/67/88/1372676788.db2.gz GKZQFUGUJVIJGI-UHFFFAOYSA-N 1 2 348.790 3.002 20 5 EGBDLO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]CC2(F)F)c(Cl)cc1Cl ZINC001218007930 1373534596 /nfs/dbraw/zinc/53/45/96/1373534596.db2.gz SHDODWSPIYXRGA-SNVBAGLBSA-N 1 2 327.114 3.278 20 5 EGBDLO O=c1c2ccc(O)cc2oc2cc(O[C@H]3CC[NH2+]CC3(F)F)ccc12 ZINC001218010678 1373535663 /nfs/dbraw/zinc/53/56/63/1373535663.db2.gz RCQBNHJMOTWGCM-INIZCTEOSA-N 1 2 347.317 3.028 20 5 EGBDLO O=[N+]([O-])c1c(O)cc(O)cc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001228970218 1375726962 /nfs/dbraw/zinc/72/69/62/1375726962.db2.gz HSCXMGDQLWOHDR-UHFFFAOYSA-N 1 2 344.367 3.049 20 5 EGBDLO CC[N@@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898719 1375915836 /nfs/dbraw/zinc/91/58/36/1375915836.db2.gz IQLHCVFUBHFRIR-SNVBAGLBSA-N 1 2 347.184 3.360 20 5 EGBDLO CC[N@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898719 1375915838 /nfs/dbraw/zinc/91/58/38/1375915838.db2.gz IQLHCVFUBHFRIR-SNVBAGLBSA-N 1 2 347.184 3.360 20 5 EGBDLO Nc1cc(CNc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)cc[nH+]1 ZINC001156756590 1380627336 /nfs/dbraw/zinc/62/73/36/1380627336.db2.gz AQPICOLKNKSVOS-UHFFFAOYSA-N 1 2 329.747 3.386 20 5 EGBDLO FC1(F)C[NH2+]CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001164493384 1383193349 /nfs/dbraw/zinc/19/33/49/1383193349.db2.gz WFYQJGJJPYOUKQ-UHFFFAOYSA-N 1 2 348.784 3.481 20 5 EGBDLO COCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001338319640 1389634567 /nfs/dbraw/zinc/63/45/67/1389634567.db2.gz KNWOAGYZJQPNGW-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO COCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001338319640 1389634570 /nfs/dbraw/zinc/63/45/70/1389634570.db2.gz KNWOAGYZJQPNGW-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001338903176 1389814345 /nfs/dbraw/zinc/81/43/45/1389814345.db2.gz HJHGNNOIRDGXRV-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CCOc1ccc(OCC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001339642453 1390093779 /nfs/dbraw/zinc/09/37/79/1390093779.db2.gz MAUDFHBTQHVDIK-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO CCOc1ccc(OCC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001339642453 1390093786 /nfs/dbraw/zinc/09/37/86/1390093786.db2.gz MAUDFHBTQHVDIK-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Br)c1 ZINC001332539965 1390132997 /nfs/dbraw/zinc/13/29/97/1390132997.db2.gz SLABQWPSSQLUOD-AOOOYVTPSA-N 1 2 333.132 3.054 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Br)c1 ZINC001332539965 1390133000 /nfs/dbraw/zinc/13/30/00/1390133000.db2.gz SLABQWPSSQLUOD-AOOOYVTPSA-N 1 2 333.132 3.054 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173768167 231028255 /nfs/dbraw/zinc/02/82/55/231028255.db2.gz FYQFZINPDQSXFH-JTQLQIEISA-N 1 2 345.321 3.196 20 5 EGBDLO Cc1nc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000174244401 231158691 /nfs/dbraw/zinc/15/86/91/231158691.db2.gz BJXYCPLOTLUMHV-UHFFFAOYSA-N 1 2 331.372 3.243 20 5 EGBDLO Cc1noc(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000172019592 282394414 /nfs/dbraw/zinc/39/44/14/282394414.db2.gz JETIJCMLXCBZFP-UHFFFAOYSA-N 1 2 336.779 3.319 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C)CC1 ZINC000003538731 210050326 /nfs/dbraw/zinc/05/03/26/210050326.db2.gz FCNGVAJUOXXVSX-NSHDSACASA-N 1 2 325.796 3.307 20 5 EGBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000003359814 210017840 /nfs/dbraw/zinc/01/78/40/210017840.db2.gz XCEVZULHCRZQMO-GFCCVEGCSA-N 1 2 349.412 3.206 20 5 EGBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000012520616 211397488 /nfs/dbraw/zinc/39/74/88/211397488.db2.gz ZEUUDZSNUJXGRE-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO CC1(C)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112702360 220380574 /nfs/dbraw/zinc/38/05/74/220380574.db2.gz VHWQVZANYXFERK-UHFFFAOYSA-N 1 2 325.796 3.309 20 5 EGBDLO CC1(C)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112702360 220380578 /nfs/dbraw/zinc/38/05/78/220380578.db2.gz VHWQVZANYXFERK-UHFFFAOYSA-N 1 2 325.796 3.309 20 5 EGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncc1F ZINC000338361384 141106784 /nfs/dbraw/zinc/10/67/84/141106784.db2.gz ZITKRGKJICFJDJ-JTQLQIEISA-N 1 2 343.318 3.030 20 5 EGBDLO C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccncc1F ZINC000338370334 141109577 /nfs/dbraw/zinc/10/95/77/141109577.db2.gz NJFOLUCIGYUYPJ-SNVBAGLBSA-N 1 2 343.318 3.030 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246289403 142608875 /nfs/dbraw/zinc/60/88/75/142608875.db2.gz BIQRIWJBWYELDN-GUYCJALGSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246289403 142608876 /nfs/dbraw/zinc/60/88/76/142608876.db2.gz BIQRIWJBWYELDN-GUYCJALGSA-N 1 2 348.424 3.497 20 5 EGBDLO COc1cccc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c1[N+](=O)[O-] ZINC000185292725 144109997 /nfs/dbraw/zinc/10/99/97/144109997.db2.gz VOLMLZXZTQFUOW-UHFFFAOYSA-N 1 2 331.372 3.260 20 5 EGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000344893616 144238198 /nfs/dbraw/zinc/23/81/98/144238198.db2.gz BGYHVMXKBOTKSP-UHFFFAOYSA-N 1 2 327.262 3.020 20 5 EGBDLO COc1ccc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)cc1[N+](=O)[O-] ZINC000359839768 286309728 /nfs/dbraw/zinc/30/97/28/286309728.db2.gz DRCOJVPZNXSJFL-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1ccc(C[N@H+]2Cc3ccccc3OC[C@H]2C)cc1[N+](=O)[O-] ZINC000359839768 286309730 /nfs/dbraw/zinc/30/97/30/286309730.db2.gz DRCOJVPZNXSJFL-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120609429 152287783 /nfs/dbraw/zinc/28/77/83/152287783.db2.gz VHZZUUGADKORSJ-SUMWQHHRSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120609429 152287785 /nfs/dbraw/zinc/28/77/85/152287785.db2.gz VHZZUUGADKORSJ-SUMWQHHRSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000302172298 154025855 /nfs/dbraw/zinc/02/58/55/154025855.db2.gz MCSMJUZHDVPQMT-NFAWXSAZSA-N 1 2 342.399 3.335 20 5 EGBDLO COCC1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000336927207 163089484 /nfs/dbraw/zinc/08/94/84/163089484.db2.gz MOCITTXDKLLDEK-UHFFFAOYSA-N 1 2 342.399 3.011 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337217514 163166850 /nfs/dbraw/zinc/16/68/50/163166850.db2.gz IKCJFJBNPUTNFJ-ZDUSSCGKSA-N 1 2 342.729 3.350 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(OCC3CC3)CC2)c(F)c1 ZINC000352050594 165210905 /nfs/dbraw/zinc/21/09/05/165210905.db2.gz SFWRPVGCYPCVBQ-UHFFFAOYSA-N 1 2 326.343 3.264 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3c(F)cccc3F)CC2)c1 ZINC000352345851 165354961 /nfs/dbraw/zinc/35/49/61/165354961.db2.gz OTFMTRKRRVXROC-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000355556328 166242748 /nfs/dbraw/zinc/24/27/48/166242748.db2.gz IYLZPLDAHPKGPI-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606506 264706226 /nfs/dbraw/zinc/70/62/26/264706226.db2.gz KZSHNRBDBZATIF-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1cc(C)cc(NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606506 264706228 /nfs/dbraw/zinc/70/62/28/264706228.db2.gz KZSHNRBDBZATIF-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000177414639 265252570 /nfs/dbraw/zinc/25/25/70/265252570.db2.gz ZDUULWSIAAEJDW-SJCJKPOMSA-N 1 2 346.358 3.374 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000194633641 266133185 /nfs/dbraw/zinc/13/31/85/266133185.db2.gz TYTQPIHSYBPNQF-UHFFFAOYSA-N 1 2 344.371 3.279 20 5 EGBDLO Cc1cc(N[C@@H]2CCCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266311506 266275325 /nfs/dbraw/zinc/27/53/25/266275325.db2.gz DLYLCIATWSVFMH-HUUCEWRRSA-N 1 2 328.372 3.076 20 5 EGBDLO Cc1cc(N[C@H]2CCCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266311509 266275621 /nfs/dbraw/zinc/27/56/21/266275621.db2.gz DLYLCIATWSVFMH-LSDHHAIUSA-N 1 2 328.372 3.076 20 5 EGBDLO COCC1=CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000274733014 267279032 /nfs/dbraw/zinc/27/90/32/267279032.db2.gz MECFCPNVMDGFBC-UHFFFAOYSA-N 1 2 340.383 3.143 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c(Cl)ncnc2N(C)C)cc1[N+](=O)[O-] ZINC000278553780 268038597 /nfs/dbraw/zinc/03/85/97/268038597.db2.gz HQWDKVNQAFMNLS-LLVKDONJSA-N 1 2 349.822 3.263 20 5 EGBDLO CCC(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000280654129 275477887 /nfs/dbraw/zinc/47/78/87/275477887.db2.gz FVFQDODCYZBQBJ-UHFFFAOYSA-N 1 2 328.372 3.226 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000286474048 276004799 /nfs/dbraw/zinc/00/47/99/276004799.db2.gz PJCQYNMQHKCGEZ-MEDUHNTESA-N 1 2 326.343 3.000 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000286474048 276004800 /nfs/dbraw/zinc/00/48/00/276004800.db2.gz PJCQYNMQHKCGEZ-MEDUHNTESA-N 1 2 326.343 3.000 20 5 EGBDLO Cc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000289187624 276301912 /nfs/dbraw/zinc/30/19/12/276301912.db2.gz ZGCMKZKGZPTAIE-UHFFFAOYSA-N 1 2 328.372 3.313 20 5 EGBDLO Cc1cc(NC[C@@H]2C[C@H](C)O[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413540479 309036467 /nfs/dbraw/zinc/03/64/67/309036467.db2.gz UYTSRHXMCPLZHS-YDHLFZDLSA-N 1 2 342.399 3.008 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])c1C ZINC000058957117 307350324 /nfs/dbraw/zinc/35/03/24/307350324.db2.gz WOZDFGQFHVLMOW-UHFFFAOYSA-N 1 2 343.383 3.196 20 5 EGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000414148256 309063532 /nfs/dbraw/zinc/06/35/32/309063532.db2.gz SNGOSJPVVHUGJN-UWVGGRQHSA-N 1 2 335.385 3.250 20 5 EGBDLO CCn1cc([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000295267125 308309141 /nfs/dbraw/zinc/30/91/41/308309141.db2.gz ANSZDWFMXQETPS-LBPRGKRZSA-N 1 2 341.371 3.317 20 5 EGBDLO Cn1c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000295423401 308325541 /nfs/dbraw/zinc/32/55/41/308325541.db2.gz FBPJMDKETDMICE-UHFFFAOYSA-N 1 2 330.388 3.225 20 5 EGBDLO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000414623027 309092118 /nfs/dbraw/zinc/09/21/18/309092118.db2.gz NEIFDBANPPWOOG-GFCCVEGCSA-N 1 2 342.359 3.081 20 5 EGBDLO CCC[C@H](OC)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000295783585 308359348 /nfs/dbraw/zinc/35/93/48/308359348.db2.gz ABGZOXUGHNPKHH-AWEZNQCLSA-N 1 2 343.343 3.318 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000296433044 308427002 /nfs/dbraw/zinc/42/70/02/308427002.db2.gz YFIPEGDPVGGMDN-ZDUSSCGKSA-N 1 2 348.790 3.205 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296877667 308476454 /nfs/dbraw/zinc/47/64/54/308476454.db2.gz MZAPWXYVLPELQU-CQSZACIVSA-N 1 2 343.387 3.252 20 5 EGBDLO O=[N+]([O-])c1c(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc2ncccc21 ZINC000301779212 308714945 /nfs/dbraw/zinc/71/49/45/308714945.db2.gz QJOKYTHLEWEKRK-ZDUSSCGKSA-N 1 2 335.367 3.229 20 5 EGBDLO O=[N+]([O-])c1cnc(Nc2ccc([NH2+]C3CCOCC3)cc2)c(F)c1 ZINC000413117008 309016969 /nfs/dbraw/zinc/01/69/69/309016969.db2.gz WUWNYGJVGCORIP-UHFFFAOYSA-N 1 2 332.335 3.463 20 5 EGBDLO CC(C)(C)n1ncnc1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413290518 309025355 /nfs/dbraw/zinc/02/53/55/309025355.db2.gz ZUKVEKLREHEAIT-UHFFFAOYSA-N 1 2 326.360 3.102 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](n4cc(Cl)cn4)C3)c2c1 ZINC000413310916 309026108 /nfs/dbraw/zinc/02/61/08/309026108.db2.gz NTQAXXLHXLVUOZ-AWEZNQCLSA-N 1 2 343.774 3.444 20 5 EGBDLO CC[C@@H]1C[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420956815 309304232 /nfs/dbraw/zinc/30/42/32/309304232.db2.gz NLZFGLXCGAOBEI-CHWSQXEVSA-N 1 2 326.368 3.132 20 5 EGBDLO C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000429245826 309575141 /nfs/dbraw/zinc/57/51/41/309575141.db2.gz LSLJHQYKMVZRMY-GXTWGEPZSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000446901009 309970586 /nfs/dbraw/zinc/97/05/86/309970586.db2.gz UUVUDHMDFSFHNK-GOSISDBHSA-N 1 2 341.411 3.389 20 5 EGBDLO CC[C@]1(C)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447800116 309988734 /nfs/dbraw/zinc/98/87/34/309988734.db2.gz PUTDUIIODWYVKY-LJQANCHMSA-N 1 2 347.459 3.444 20 5 EGBDLO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cncs1 ZINC000448369984 310003181 /nfs/dbraw/zinc/00/31/81/310003181.db2.gz DLWQLJGKRCWLKF-XQRVVYSFSA-N 1 2 333.413 3.213 20 5 EGBDLO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cncs1 ZINC000448369984 310003182 /nfs/dbraw/zinc/00/31/82/310003182.db2.gz DLWQLJGKRCWLKF-XQRVVYSFSA-N 1 2 333.413 3.213 20 5 EGBDLO CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448912540 310023642 /nfs/dbraw/zinc/02/36/42/310023642.db2.gz SPRZXSBXQVZVHX-INIZCTEOSA-N 1 2 342.399 3.431 20 5 EGBDLO CCC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450105449 310103649 /nfs/dbraw/zinc/10/36/49/310103649.db2.gz OVWJGUOHBOPJFX-CQSZACIVSA-N 1 2 342.399 3.433 20 5 EGBDLO C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450837032 310145135 /nfs/dbraw/zinc/14/51/35/310145135.db2.gz ZXKGJSLGSRFLCS-VXNVDRBHSA-N 1 2 327.266 3.323 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000455357553 310357243 /nfs/dbraw/zinc/35/72/43/310357243.db2.gz KYFHHICSZZACJA-LLVKDONJSA-N 1 2 347.375 3.093 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000456347956 310400078 /nfs/dbraw/zinc/40/00/78/310400078.db2.gz HZBDFZJTBXNNQW-ZDUSSCGKSA-N 1 2 330.388 3.227 20 5 EGBDLO COC(=O)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000475133699 310806657 /nfs/dbraw/zinc/80/66/57/310806657.db2.gz CZRLTGQWZXVYAK-MRXNPFEDSA-N 1 2 346.408 3.365 20 5 EGBDLO CC1CCC(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000490044095 311131080 /nfs/dbraw/zinc/13/10/80/311131080.db2.gz DCMWWTGBVHDGGY-UHFFFAOYSA-N 1 2 345.443 3.254 20 5 EGBDLO CC1CCC(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000490044095 311131081 /nfs/dbraw/zinc/13/10/81/311131081.db2.gz DCMWWTGBVHDGGY-UHFFFAOYSA-N 1 2 345.443 3.254 20 5 EGBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000492343942 311240065 /nfs/dbraw/zinc/24/00/65/311240065.db2.gz WXYHOGHXPPQFIA-CMDGGOBGSA-N 1 2 348.362 3.315 20 5 EGBDLO COc1ccc(OCC[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505628006 312028750 /nfs/dbraw/zinc/02/87/50/312028750.db2.gz BXUYGANIAVXKPI-UHFFFAOYSA-N 1 2 334.347 3.253 20 5 EGBDLO COc1ccc(OCC[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505628006 312028753 /nfs/dbraw/zinc/02/87/53/312028753.db2.gz BXUYGANIAVXKPI-UHFFFAOYSA-N 1 2 334.347 3.253 20 5 EGBDLO Cc1[nH]nc2ncc(C[N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc12 ZINC000507187881 312062204 /nfs/dbraw/zinc/06/22/04/312062204.db2.gz MVTPHOFVZCKQAK-UHFFFAOYSA-N 1 2 337.383 3.339 20 5 EGBDLO Cc1[nH]nc2ncc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc12 ZINC000507187881 312062206 /nfs/dbraw/zinc/06/22/06/312062206.db2.gz MVTPHOFVZCKQAK-UHFFFAOYSA-N 1 2 337.383 3.339 20 5 EGBDLO CCc1cc(N[C@@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537673944 314201892 /nfs/dbraw/zinc/20/18/92/314201892.db2.gz VVCVLVQSLSIDHS-SWLSCSKDSA-N 1 2 342.399 3.016 20 5 EGBDLO CC[C@H](C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000539493874 314317381 /nfs/dbraw/zinc/31/73/81/314317381.db2.gz SIUPBSMQBUMVQU-BBRMVZONSA-N 1 2 336.432 3.483 20 5 EGBDLO CC1(C)c2ccccc2CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552678690 315228271 /nfs/dbraw/zinc/22/82/71/315228271.db2.gz YURQUPYZPPMFGI-UHFFFAOYSA-N 1 2 339.395 3.327 20 5 EGBDLO CC1(C)c2ccccc2CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000552678690 315228274 /nfs/dbraw/zinc/22/82/74/315228274.db2.gz YURQUPYZPPMFGI-UHFFFAOYSA-N 1 2 339.395 3.327 20 5 EGBDLO CCOC(=O)c1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000570755417 317102567 /nfs/dbraw/zinc/10/25/67/317102567.db2.gz LRJXSUMVSFMYLP-UHFFFAOYSA-N 1 2 349.412 3.253 20 5 EGBDLO CS[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296501149 455956572 /nfs/dbraw/zinc/95/65/72/455956572.db2.gz ZGLBZAMXPDQEEA-MWLCHTKSSA-N 1 2 343.836 3.013 20 5 EGBDLO CS[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000296501149 455956576 /nfs/dbraw/zinc/95/65/76/455956576.db2.gz ZGLBZAMXPDQEEA-MWLCHTKSSA-N 1 2 343.836 3.013 20 5 EGBDLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181837310 323507138 /nfs/dbraw/zinc/50/71/38/323507138.db2.gz MVBWJKSAHGRASP-RYUDHWBXSA-N 1 2 334.376 3.235 20 5 EGBDLO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000185181721 323691055 /nfs/dbraw/zinc/69/10/55/323691055.db2.gz WZIUDFRGAOIWCA-LLVKDONJSA-N 1 2 334.376 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(CCc3[nH]c4ccccc4[nH+]3)n2)s1 ZINC000350824069 324125184 /nfs/dbraw/zinc/12/51/84/324125184.db2.gz OSSKUKSCKLFDPY-UHFFFAOYSA-N 1 2 341.352 3.368 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC[C@@H]3C3CCC3)co2)cc1 ZINC000580950269 325313152 /nfs/dbraw/zinc/31/31/52/325313152.db2.gz KXERVJKMLMTGKS-QGZVFWFLSA-N 1 2 343.383 3.251 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC[C@@H]3C3CCC3)co2)cc1 ZINC000580950269 325313156 /nfs/dbraw/zinc/31/31/56/325313156.db2.gz KXERVJKMLMTGKS-QGZVFWFLSA-N 1 2 343.383 3.251 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026346305 453797794 /nfs/dbraw/zinc/79/77/94/453797794.db2.gz UKSNHHPNLIIWPQ-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026346305 453797795 /nfs/dbraw/zinc/79/77/95/453797795.db2.gz UKSNHHPNLIIWPQ-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000026346540 453797821 /nfs/dbraw/zinc/79/78/21/453797821.db2.gz JDWHAOPKXHHKML-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000026346540 453797824 /nfs/dbraw/zinc/79/78/24/453797824.db2.gz JDWHAOPKXHHKML-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027359744 453815354 /nfs/dbraw/zinc/81/53/54/453815354.db2.gz TYZCZBIMCSMZGH-UHFFFAOYSA-N 1 2 339.804 3.041 20 5 EGBDLO C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027359744 453815357 /nfs/dbraw/zinc/81/53/57/453815357.db2.gz TYZCZBIMCSMZGH-UHFFFAOYSA-N 1 2 339.804 3.041 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]1c1ccccc1 ZINC000053080584 453856349 /nfs/dbraw/zinc/85/63/49/453856349.db2.gz FXHASYNPPQTPME-INIZCTEOSA-N 1 2 348.362 3.368 20 5 EGBDLO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000054362079 453926283 /nfs/dbraw/zinc/92/62/83/453926283.db2.gz DXEGZIRXBSNCGX-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000054362079 453926287 /nfs/dbraw/zinc/92/62/87/453926287.db2.gz DXEGZIRXBSNCGX-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606193 454114628 /nfs/dbraw/zinc/11/46/28/454114628.db2.gz BMGWALCIIVXBDS-AWEZNQCLSA-N 1 2 339.395 3.004 20 5 EGBDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606193 454114633 /nfs/dbraw/zinc/11/46/33/454114633.db2.gz BMGWALCIIVXBDS-AWEZNQCLSA-N 1 2 339.395 3.004 20 5 EGBDLO COC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)oc1C ZINC000130686035 454213204 /nfs/dbraw/zinc/21/32/04/454213204.db2.gz ZKIBMIKFSPWUIR-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)oc1C ZINC000130686035 454213209 /nfs/dbraw/zinc/21/32/09/454213209.db2.gz ZKIBMIKFSPWUIR-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCOCC2)cc1 ZINC000071968828 454263064 /nfs/dbraw/zinc/26/30/64/454263064.db2.gz BNIGSNJAEFMMEU-IBGZPJMESA-N 1 2 341.411 3.389 20 5 EGBDLO Cc1cnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c([N+](=O)[O-])c1 ZINC000078654284 454292249 /nfs/dbraw/zinc/29/22/49/454292249.db2.gz PPCGWSUTEYQZQV-UHFFFAOYSA-N 1 2 327.319 3.235 20 5 EGBDLO Cc1cc(N(C)Cc2cscn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060861636 454317605 /nfs/dbraw/zinc/31/76/05/454317605.db2.gz MESGRWNPDSSPHI-UHFFFAOYSA-N 1 2 341.396 3.453 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)on1 ZINC000047273776 454351461 /nfs/dbraw/zinc/35/14/61/454351461.db2.gz ZVJRJLNCLQGYDA-HNNXBMFYSA-N 1 2 345.355 3.095 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)on1 ZINC000047273776 454351463 /nfs/dbraw/zinc/35/14/63/454351463.db2.gz ZVJRJLNCLQGYDA-HNNXBMFYSA-N 1 2 345.355 3.095 20 5 EGBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC000121555809 454452166 /nfs/dbraw/zinc/45/21/66/454452166.db2.gz FEMNUYCBVZYPSG-UHFFFAOYSA-N 1 2 344.327 3.384 20 5 EGBDLO CC(C)[N@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000048273022 454466285 /nfs/dbraw/zinc/46/62/85/454466285.db2.gz IMNRPCBZBNJPQT-UHFFFAOYSA-N 1 2 343.383 3.267 20 5 EGBDLO CC(C)[N@@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000048273022 454466291 /nfs/dbraw/zinc/46/62/91/454466291.db2.gz IMNRPCBZBNJPQT-UHFFFAOYSA-N 1 2 343.383 3.267 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000121905695 454492488 /nfs/dbraw/zinc/49/24/88/454492488.db2.gz BUJZCYRMKJXMDX-LJQANCHMSA-N 1 2 342.395 3.221 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000121905695 454492493 /nfs/dbraw/zinc/49/24/93/454492493.db2.gz BUJZCYRMKJXMDX-LJQANCHMSA-N 1 2 342.395 3.221 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000107291915 454749941 /nfs/dbraw/zinc/74/99/41/454749941.db2.gz KALBIJQTKIXXDD-UHFFFAOYSA-N 1 2 343.386 3.497 20 5 EGBDLO COC(=O)c1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)oc1C ZINC000153250062 454774724 /nfs/dbraw/zinc/77/47/24/454774724.db2.gz SJOFKLMEVUQLLK-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)oc1C ZINC000153250062 454774729 /nfs/dbraw/zinc/77/47/29/454774729.db2.gz SJOFKLMEVUQLLK-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000163274277 454835843 /nfs/dbraw/zinc/83/58/43/454835843.db2.gz LEQZKIXZEHUCMJ-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)cc1[N+](=O)[O-] ZINC000165270921 454897203 /nfs/dbraw/zinc/89/72/03/454897203.db2.gz QODHPAPFFCJUGG-UHFFFAOYSA-N 1 2 341.776 3.061 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000268005065 455578093 /nfs/dbraw/zinc/57/80/93/455578093.db2.gz VESPVHUMACNWFI-UHFFFAOYSA-N 1 2 343.387 3.066 20 5 EGBDLO Cc1cc(N[C@@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000271451439 455641607 /nfs/dbraw/zinc/64/16/07/455641607.db2.gz XIJABPVBAUNVMD-TZMCWYRMSA-N 1 2 328.372 3.340 20 5 EGBDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635442 455658715 /nfs/dbraw/zinc/65/87/15/455658715.db2.gz BRNNVTPDUJQSMG-CQSZACIVSA-N 1 2 333.432 3.112 20 5 EGBDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635442 455658724 /nfs/dbraw/zinc/65/87/24/455658724.db2.gz BRNNVTPDUJQSMG-CQSZACIVSA-N 1 2 333.432 3.112 20 5 EGBDLO CSc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192640177 455659924 /nfs/dbraw/zinc/65/99/24/455659924.db2.gz DWQIQHAMPARFOQ-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO CSc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192640177 455659929 /nfs/dbraw/zinc/65/99/29/455659929.db2.gz DWQIQHAMPARFOQ-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO CCC[C@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000247988655 455666614 /nfs/dbraw/zinc/66/66/14/455666614.db2.gz IUTZKBUEMDWUOD-DOMZBBRYSA-N 1 2 346.387 3.207 20 5 EGBDLO CCC[C@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000247988655 455666619 /nfs/dbraw/zinc/66/66/19/455666619.db2.gz IUTZKBUEMDWUOD-DOMZBBRYSA-N 1 2 346.387 3.207 20 5 EGBDLO COC(=O)c1cc([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C ZINC000292562497 455697936 /nfs/dbraw/zinc/69/79/36/455697936.db2.gz IEAFSPNDAUMAEA-LLVKDONJSA-N 1 2 332.356 3.476 20 5 EGBDLO COC(=O)c1cc([C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C ZINC000292562497 455697938 /nfs/dbraw/zinc/69/79/38/455697938.db2.gz IEAFSPNDAUMAEA-LLVKDONJSA-N 1 2 332.356 3.476 20 5 EGBDLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000280078541 455886615 /nfs/dbraw/zinc/88/66/15/455886615.db2.gz NRFRPSBAUBFARH-DOMZBBRYSA-N 1 2 346.387 3.236 20 5 EGBDLO CC(C)c1nnc([C@@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000280078541 455886620 /nfs/dbraw/zinc/88/66/20/455886620.db2.gz NRFRPSBAUBFARH-DOMZBBRYSA-N 1 2 346.387 3.236 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCO[C@@H]4CCC[C@H]43)cs2)c1 ZINC000271126996 456133408 /nfs/dbraw/zinc/13/34/08/456133408.db2.gz NCCKHYCYTUPMQK-HZPDHXFCSA-N 1 2 345.424 3.472 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)cs2)c1 ZINC000271126996 456133411 /nfs/dbraw/zinc/13/34/11/456133411.db2.gz NCCKHYCYTUPMQK-HZPDHXFCSA-N 1 2 345.424 3.472 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000301547198 456143835 /nfs/dbraw/zinc/14/38/35/456143835.db2.gz PSQHAPACCSKOPK-UHFFFAOYSA-N 1 2 345.290 3.173 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CCOC(C)C)CC1 ZINC000302813438 456407167 /nfs/dbraw/zinc/40/71/67/456407167.db2.gz HRMCHLIIIXIRMS-UHFFFAOYSA-N 1 2 341.839 3.104 20 5 EGBDLO CC(C)[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276447984 456485244 /nfs/dbraw/zinc/48/52/44/456485244.db2.gz BNVHPBSSTYAVTO-OAHLLOKOSA-N 1 2 343.387 3.019 20 5 EGBDLO CC(C)(C)n1ncnc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000282483039 456528409 /nfs/dbraw/zinc/52/84/09/456528409.db2.gz HFVRYDAXANEMNC-HNNXBMFYSA-N 1 2 329.404 3.109 20 5 EGBDLO COc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000340775375 456679694 /nfs/dbraw/zinc/67/96/94/456679694.db2.gz HVNUPFXZMKQQBR-UHFFFAOYSA-N 1 2 344.415 3.497 20 5 EGBDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000343547155 456699201 /nfs/dbraw/zinc/69/92/01/456699201.db2.gz JCEJHKMDDRFLBU-UHFFFAOYSA-N 1 2 343.431 3.003 20 5 EGBDLO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000348548573 456758825 /nfs/dbraw/zinc/75/88/25/456758825.db2.gz QLSOYBROKRANEG-CJVSPLEFSA-N 1 2 336.457 3.230 20 5 EGBDLO CC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000348548573 456758828 /nfs/dbraw/zinc/75/88/28/456758828.db2.gz QLSOYBROKRANEG-CJVSPLEFSA-N 1 2 336.457 3.230 20 5 EGBDLO C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000353669777 456843743 /nfs/dbraw/zinc/84/37/43/456843743.db2.gz FDYBHHHDZJXYEZ-MFKMUULPSA-N 1 2 342.321 3.206 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338998195 456893622 /nfs/dbraw/zinc/89/36/22/456893622.db2.gz YAHYHZSSFJQLOA-HNNXBMFYSA-N 1 2 341.411 3.007 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338998195 456893624 /nfs/dbraw/zinc/89/36/24/456893624.db2.gz YAHYHZSSFJQLOA-HNNXBMFYSA-N 1 2 341.411 3.007 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000349893906 457096976 /nfs/dbraw/zinc/09/69/76/457096976.db2.gz MQOZDVMCKDYSII-HNNXBMFYSA-N 1 2 343.387 3.218 20 5 EGBDLO Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000360172651 457287469 /nfs/dbraw/zinc/28/74/69/457287469.db2.gz YMXWJNRJMPBFEM-MRXNPFEDSA-N 1 2 325.368 3.116 20 5 EGBDLO Cc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000360172651 457287471 /nfs/dbraw/zinc/28/74/71/457287471.db2.gz YMXWJNRJMPBFEM-MRXNPFEDSA-N 1 2 325.368 3.116 20 5 EGBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000357193060 457368563 /nfs/dbraw/zinc/36/85/63/457368563.db2.gz VEJSHRCAYVDGAV-OAHLLOKOSA-N 1 2 330.388 3.335 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000355503316 457381989 /nfs/dbraw/zinc/38/19/89/457381989.db2.gz FOTCHBLUDATDCR-LJQANCHMSA-N 1 2 342.395 3.074 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000355503316 457381995 /nfs/dbraw/zinc/38/19/95/457381995.db2.gz FOTCHBLUDATDCR-LJQANCHMSA-N 1 2 342.395 3.074 20 5 EGBDLO COC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472826 457568322 /nfs/dbraw/zinc/56/83/22/457568322.db2.gz HTFHSOXKXVCLBA-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO COC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472826 457568328 /nfs/dbraw/zinc/56/83/28/457568328.db2.gz HTFHSOXKXVCLBA-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1COc2ccccc2O1 ZINC000352744547 457576439 /nfs/dbraw/zinc/57/64/39/457576439.db2.gz OZAQRXUTBPPZOR-CQSZACIVSA-N 1 2 332.331 3.006 20 5 EGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1COc2ccccc2O1 ZINC000352744547 457576447 /nfs/dbraw/zinc/57/64/47/457576447.db2.gz OZAQRXUTBPPZOR-CQSZACIVSA-N 1 2 332.331 3.006 20 5 EGBDLO O=C(c1cccs1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000365206757 457729984 /nfs/dbraw/zinc/72/99/84/457729984.db2.gz ITWAEURWMQBGGL-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO O=C(c1cccs1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000365206757 457729987 /nfs/dbraw/zinc/72/99/87/457729987.db2.gz ITWAEURWMQBGGL-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000444742664 457961994 /nfs/dbraw/zinc/96/19/94/457961994.db2.gz WWKFGIAIRQWLGD-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000444742664 457961998 /nfs/dbraw/zinc/96/19/98/457961998.db2.gz WWKFGIAIRQWLGD-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000411918565 458010723 /nfs/dbraw/zinc/01/07/23/458010723.db2.gz DBJYHSRPASDBHA-ZBFHGGJFSA-N 1 2 346.358 3.050 20 5 EGBDLO COc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000411918565 458010728 /nfs/dbraw/zinc/01/07/28/458010728.db2.gz DBJYHSRPASDBHA-ZBFHGGJFSA-N 1 2 346.358 3.050 20 5 EGBDLO CC[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000362569683 458275699 /nfs/dbraw/zinc/27/56/99/458275699.db2.gz YPOPCMOIGFPITI-GXTWGEPZSA-N 1 2 328.372 3.089 20 5 EGBDLO Cc1cccn2cc(Cc3noc(-c4ccccc4[N+](=O)[O-])n3)[nH+]c12 ZINC000547092560 458698005 /nfs/dbraw/zinc/69/80/05/458698005.db2.gz RLGSNIIHWIPHBU-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000440476366 458817001 /nfs/dbraw/zinc/81/70/01/458817001.db2.gz GVIMKFVZRUFUKQ-UHFFFAOYSA-N 1 2 330.388 3.149 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000440476366 458817006 /nfs/dbraw/zinc/81/70/06/458817006.db2.gz GVIMKFVZRUFUKQ-UHFFFAOYSA-N 1 2 330.388 3.149 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2cc[nH+]cc21 ZINC000531527119 458928911 /nfs/dbraw/zinc/92/89/11/458928911.db2.gz AQWZJSYNQBPIQD-UHFFFAOYSA-N 1 2 343.364 3.252 20 5 EGBDLO CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1[nH]cc[nH+]1 ZINC000442825907 459043762 /nfs/dbraw/zinc/04/37/62/459043762.db2.gz WJZWIYWRIHZLEB-NSHDSACASA-N 1 2 342.277 3.218 20 5 EGBDLO CCOc1ncccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595007221 459213076 /nfs/dbraw/zinc/21/30/76/459213076.db2.gz KHEVHTRTGPWZJI-GFCCVEGCSA-N 1 2 331.372 3.248 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000595036187 459224993 /nfs/dbraw/zinc/22/49/93/459224993.db2.gz QHACOJUEEKIOSB-FZKQIMNGSA-N 1 2 341.411 3.441 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000595036187 459224997 /nfs/dbraw/zinc/22/49/97/459224997.db2.gz QHACOJUEEKIOSB-FZKQIMNGSA-N 1 2 341.411 3.441 20 5 EGBDLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595390716 459289689 /nfs/dbraw/zinc/28/96/89/459289689.db2.gz KEJORIGQNUBBIM-UHFFFAOYSA-N 1 2 331.372 3.238 20 5 EGBDLO CCCOc1ccc2c(c1)CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595390716 459289694 /nfs/dbraw/zinc/28/96/94/459289694.db2.gz KEJORIGQNUBBIM-UHFFFAOYSA-N 1 2 331.372 3.238 20 5 EGBDLO COc1cc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000523401165 459296527 /nfs/dbraw/zinc/29/65/27/459296527.db2.gz GGPFPYTWZXFHID-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595449818 459307459 /nfs/dbraw/zinc/30/74/59/459307459.db2.gz LUUKTZMWHSAWOF-CYBMUJFWSA-N 1 2 336.285 3.277 20 5 EGBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595449818 459307463 /nfs/dbraw/zinc/30/74/63/459307463.db2.gz LUUKTZMWHSAWOF-CYBMUJFWSA-N 1 2 336.285 3.277 20 5 EGBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](C(F)(F)F)O1 ZINC000591150938 459323121 /nfs/dbraw/zinc/32/31/21/459323121.db2.gz VUPYKYQQHKBIII-ZANVPECISA-N 1 2 341.289 3.299 20 5 EGBDLO Cn1c[nH+]cc1CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000541548898 459465962 /nfs/dbraw/zinc/46/59/62/459465962.db2.gz NXHDWNXBPZHCHV-UHFFFAOYSA-N 1 2 330.391 3.094 20 5 EGBDLO C[C@H](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000573210820 459644247 /nfs/dbraw/zinc/64/42/47/459644247.db2.gz YARLVYXXCNTSJQ-WBMJQRKESA-N 1 2 346.412 3.017 20 5 EGBDLO Cc1cc(N(C)CC2=CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596554532 459675335 /nfs/dbraw/zinc/67/53/35/459675335.db2.gz SRLBCYXIUVHNBB-UHFFFAOYSA-N 1 2 342.424 3.470 20 5 EGBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593057648 459757654 /nfs/dbraw/zinc/75/76/54/459757654.db2.gz GTVZPUXNZMOXAJ-HIFRSBDPSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593057648 459757658 /nfs/dbraw/zinc/75/76/58/459757658.db2.gz GTVZPUXNZMOXAJ-HIFRSBDPSA-N 1 2 346.387 3.034 20 5 EGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586766463 459868383 /nfs/dbraw/zinc/86/83/83/459868383.db2.gz IFQVXCORYFUUIB-INIZCTEOSA-N 1 2 336.342 3.252 20 5 EGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586766463 459868389 /nfs/dbraw/zinc/86/83/89/459868389.db2.gz IFQVXCORYFUUIB-INIZCTEOSA-N 1 2 336.342 3.252 20 5 EGBDLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598445073 459900536 /nfs/dbraw/zinc/90/05/36/459900536.db2.gz SDXRRPQHILKVJG-LQDVMPOASA-N 1 2 340.383 3.184 20 5 EGBDLO COCCc1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000602440621 459939263 /nfs/dbraw/zinc/93/92/63/459939263.db2.gz QIIPUFMONLXLEL-UHFFFAOYSA-N 1 2 347.440 3.405 20 5 EGBDLO COCCc1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000602440621 459939269 /nfs/dbraw/zinc/93/92/69/459939269.db2.gz QIIPUFMONLXLEL-UHFFFAOYSA-N 1 2 347.440 3.405 20 5 EGBDLO CC[C@@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000597664668 460022560 /nfs/dbraw/zinc/02/25/60/460022560.db2.gz BFCFXBJHXJXVCH-CABCVRRESA-N 1 2 349.431 3.040 20 5 EGBDLO CC[C@@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[N@H+]1CCO[C@H](CC)C1 ZINC000597664668 460022565 /nfs/dbraw/zinc/02/25/65/460022565.db2.gz BFCFXBJHXJXVCH-CABCVRRESA-N 1 2 349.431 3.040 20 5 EGBDLO CCc1ccc([C@H]2COCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000609895650 460037285 /nfs/dbraw/zinc/03/72/85/460037285.db2.gz MUPBEZMNBWAQHV-QGZVFWFLSA-N 1 2 330.384 3.366 20 5 EGBDLO CCc1ccc([C@H]2COCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000609895650 460037293 /nfs/dbraw/zinc/03/72/93/460037293.db2.gz MUPBEZMNBWAQHV-QGZVFWFLSA-N 1 2 330.384 3.366 20 5 EGBDLO O=[N+]([O-])c1sc(C[NH+]2CCC3(CCO3)CC2)cc1Br ZINC000602659433 460048914 /nfs/dbraw/zinc/04/89/14/460048914.db2.gz PZTFLSRHVGKRNZ-UHFFFAOYSA-N 1 2 347.234 3.174 20 5 EGBDLO CC(=O)NC1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599039398 460135077 /nfs/dbraw/zinc/13/50/77/460135077.db2.gz YHCVOXIVSMCTIR-UHFFFAOYSA-N 1 2 328.372 3.002 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599514539 460266092 /nfs/dbraw/zinc/26/60/92/460266092.db2.gz XVTUYFUWWGEELV-VXGBXAGGSA-N 1 2 341.358 3.065 20 5 EGBDLO CC(C)[N@H+](Cc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611262631 460321871 /nfs/dbraw/zinc/32/18/71/460321871.db2.gz MHAAIFQKEBOAPS-UHFFFAOYSA-N 1 2 343.383 3.172 20 5 EGBDLO CC(C)[N@@H+](Cc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611262631 460321877 /nfs/dbraw/zinc/32/18/77/460321877.db2.gz MHAAIFQKEBOAPS-UHFFFAOYSA-N 1 2 343.383 3.172 20 5 EGBDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611409164 460357758 /nfs/dbraw/zinc/35/77/58/460357758.db2.gz VXESDPNAXWUQQX-VIFPVBQESA-N 1 2 343.343 3.100 20 5 EGBDLO CC(C)(C)c1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000604267910 460399620 /nfs/dbraw/zinc/39/96/20/460399620.db2.gz CUTPWKUEZIUPHX-UHFFFAOYSA-N 1 2 344.415 3.299 20 5 EGBDLO C[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000615996114 460445970 /nfs/dbraw/zinc/44/59/70/460445970.db2.gz AEMYWSADHKWTOK-HNNXBMFYSA-N 1 2 333.432 3.053 20 5 EGBDLO O=[N+]([O-])c1cccnc1N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000601187307 460743877 /nfs/dbraw/zinc/74/38/77/460743877.db2.gz RFAJXBHLCMINBD-UHFFFAOYSA-N 1 2 337.383 3.325 20 5 EGBDLO O=C(c1cc2ccccc2c2cccnc12)N1CCc2[nH]c[nH+]c2C1 ZINC000647735617 461821083 /nfs/dbraw/zinc/82/10/83/461821083.db2.gz CMPJQTBLPKOJFX-UHFFFAOYSA-N 1 2 328.375 3.310 20 5 EGBDLO O=C(c1cc2ccccc2c2cccnc12)N1CCc2[nH+]c[nH]c2C1 ZINC000647735617 461821088 /nfs/dbraw/zinc/82/10/88/461821088.db2.gz CMPJQTBLPKOJFX-UHFFFAOYSA-N 1 2 328.375 3.310 20 5 EGBDLO CCC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000131680036 527788528 /nfs/dbraw/zinc/78/85/28/527788528.db2.gz IUTZKBUEMDWUOD-SWLSCSKDSA-N 1 2 346.387 3.207 20 5 EGBDLO CCC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000131680036 527788535 /nfs/dbraw/zinc/78/85/35/527788535.db2.gz IUTZKBUEMDWUOD-SWLSCSKDSA-N 1 2 346.387 3.207 20 5 EGBDLO O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031813915 546537006 /nfs/dbraw/zinc/53/70/06/546537006.db2.gz LIJGFEREFAYFIS-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000171447699 546995927 /nfs/dbraw/zinc/99/59/27/546995927.db2.gz DPJCFQBWVQELBK-UHFFFAOYSA-N 1 2 340.314 3.196 20 5 EGBDLO Cc1cccn2cc(CC(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000728167129 574724819 /nfs/dbraw/zinc/72/48/19/574724819.db2.gz LYBKNJXJDAJZPS-ZDUSSCGKSA-N 1 2 339.351 3.398 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000728995574 574792837 /nfs/dbraw/zinc/79/28/37/574792837.db2.gz XXTSQDJFIUQQIY-UHFFFAOYSA-N 1 2 343.314 3.135 20 5 EGBDLO C[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000733198746 575319546 /nfs/dbraw/zinc/31/95/46/575319546.db2.gz TYYDLVYFMPXUDI-ZIAGYGMSSA-N 1 2 349.431 3.425 20 5 EGBDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000068880604 1292221375 /nfs/dbraw/zinc/22/13/75/1292221375.db2.gz XMBFLCKMMYZATJ-OAHLLOKOSA-N 1 2 330.388 3.211 20 5 EGBDLO COc1ccccc1[C@H]1CCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000068880604 1292221383 /nfs/dbraw/zinc/22/13/83/1292221383.db2.gz XMBFLCKMMYZATJ-OAHLLOKOSA-N 1 2 330.388 3.211 20 5 EGBDLO CC(C)(C)SCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000112763732 1293133859 /nfs/dbraw/zinc/13/38/59/1293133859.db2.gz YFNFHTQBHKOLEV-UHFFFAOYSA-N 1 2 349.412 3.469 20 5 EGBDLO Cn1cccc1C[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000128271698 1293587239 /nfs/dbraw/zinc/58/72/39/1293587239.db2.gz PMTGPKJDSFUWOI-UHFFFAOYSA-N 1 2 332.385 3.300 20 5 EGBDLO Cn1cccc1C[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000128271698 1293587245 /nfs/dbraw/zinc/58/72/45/1293587245.db2.gz PMTGPKJDSFUWOI-UHFFFAOYSA-N 1 2 332.385 3.300 20 5 EGBDLO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000208528252 1296098467 /nfs/dbraw/zinc/09/84/67/1296098467.db2.gz VDKLHWFLJNNIRR-ZIAGYGMSSA-N 1 2 349.431 3.425 20 5 EGBDLO Cc1cncc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c1 ZINC000761575152 1301502152 /nfs/dbraw/zinc/50/21/52/1301502152.db2.gz LEZJVNOZZCDKCR-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c(N(C)C)[nH+]1 ZINC000763114826 1301827380 /nfs/dbraw/zinc/82/73/80/1301827380.db2.gz WZOPPIANKHVKTE-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cn2nc(C)c3cc([N+](=O)[O-])ccc32)on1 ZINC000764899238 1302161503 /nfs/dbraw/zinc/16/15/03/1302161503.db2.gz NVMRALJICFNZJX-MRXNPFEDSA-N 1 2 341.371 3.344 20 5 EGBDLO Cc1cc([C@H]2CCC[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])ccc32)on1 ZINC000764899238 1302161507 /nfs/dbraw/zinc/16/15/07/1302161507.db2.gz NVMRALJICFNZJX-MRXNPFEDSA-N 1 2 341.371 3.344 20 5 EGBDLO Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(C)c[nH+]1 ZINC000767952538 1302793019 /nfs/dbraw/zinc/79/30/19/1302793019.db2.gz ZQLAMSADIDHDGQ-UHFFFAOYSA-N 1 2 334.763 3.004 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000768152385 1302836720 /nfs/dbraw/zinc/83/67/20/1302836720.db2.gz NLLKPCLYUCXMRO-UHFFFAOYSA-N 1 2 344.440 3.251 20 5 EGBDLO O=C(OCc1cccc2[nH+]ccn21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000770920561 1303331263 /nfs/dbraw/zinc/33/12/63/1303331263.db2.gz LLFRXFDTYSHOPO-UHFFFAOYSA-N 1 2 336.307 3.081 20 5 EGBDLO COc1ccc(Cl)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775179336 1303920652 /nfs/dbraw/zinc/92/06/52/1303920652.db2.gz NTKKKJBMGCGYPO-UHFFFAOYSA-N 1 2 346.774 3.423 20 5 EGBDLO COc1c(O)ccc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000892009627 1305229191 /nfs/dbraw/zinc/22/91/91/1305229191.db2.gz LYBXOZDFZAOVKP-LLVKDONJSA-N 1 2 332.356 3.208 20 5 EGBDLO COc1c(O)ccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000892009627 1305229195 /nfs/dbraw/zinc/22/91/95/1305229195.db2.gz LYBXOZDFZAOVKP-LLVKDONJSA-N 1 2 332.356 3.208 20 5 EGBDLO COc1c(O)ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000892629851 1305479305 /nfs/dbraw/zinc/47/93/05/1305479305.db2.gz ACXZSENZKWPAFD-VIFPVBQESA-N 1 2 338.310 3.438 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1CO[NH+]=C(N)Cc1ccccc1C ZINC000797422689 1310188401 /nfs/dbraw/zinc/18/84/01/1310188401.db2.gz WBWLMNPQQZJCJN-UHFFFAOYSA-N 1 2 329.356 3.153 20 5 EGBDLO Cc1cc(C)c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000908052208 1318294910 /nfs/dbraw/zinc/29/49/10/1318294910.db2.gz AVADTYJYJJDUOK-UHFFFAOYSA-N 1 2 327.384 3.230 20 5 EGBDLO CC[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000812807485 1318461608 /nfs/dbraw/zinc/46/16/08/1318461608.db2.gz RKCMTSCPFBKSAW-SNVBAGLBSA-N 1 2 331.210 3.214 20 5 EGBDLO CC[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000812807485 1318461614 /nfs/dbraw/zinc/46/16/14/1318461614.db2.gz RKCMTSCPFBKSAW-SNVBAGLBSA-N 1 2 331.210 3.214 20 5 EGBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815211256 1318928968 /nfs/dbraw/zinc/92/89/68/1318928968.db2.gz LFPXHONWXVUHQS-CYBMUJFWSA-N 1 2 346.305 3.141 20 5 EGBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815211256 1318928979 /nfs/dbraw/zinc/92/89/79/1318928979.db2.gz LFPXHONWXVUHQS-CYBMUJFWSA-N 1 2 346.305 3.141 20 5 EGBDLO Cc1ccoc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816103734 1319102259 /nfs/dbraw/zinc/10/22/59/1319102259.db2.gz LQTFSCQMRZGTAT-UHFFFAOYSA-N 1 2 327.296 3.039 20 5 EGBDLO CCC1(CC)CCN(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000817362171 1319338238 /nfs/dbraw/zinc/33/82/38/1319338238.db2.gz MJZSHDFORAGOKX-UHFFFAOYSA-N 1 2 333.432 3.065 20 5 EGBDLO CCC1(CC)CCN(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000817362171 1319338243 /nfs/dbraw/zinc/33/82/43/1319338243.db2.gz MJZSHDFORAGOKX-UHFFFAOYSA-N 1 2 333.432 3.065 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000836600522 1320509839 /nfs/dbraw/zinc/50/98/39/1320509839.db2.gz WUPWOHQPSJUQIH-NSHDSACASA-N 1 2 348.790 3.300 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000848489812 1321964929 /nfs/dbraw/zinc/96/49/29/1321964929.db2.gz SJIXNNXSELFQOP-CQSZACIVSA-N 1 2 342.399 3.059 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000848489812 1321964933 /nfs/dbraw/zinc/96/49/33/1321964933.db2.gz SJIXNNXSELFQOP-CQSZACIVSA-N 1 2 342.399 3.059 20 5 EGBDLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000851398614 1323030567 /nfs/dbraw/zinc/03/05/67/1323030567.db2.gz VFVNGHODERZEKW-UHFFFAOYSA-N 1 2 341.367 3.063 20 5 EGBDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ncnn21 ZINC000926302025 1325509193 /nfs/dbraw/zinc/50/91/93/1325509193.db2.gz HSJPBEJMNICGQR-PRHODGIISA-N 1 2 341.293 3.001 20 5 EGBDLO O=C(Oc1ccc2c(c1)CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000928995455 1328485787 /nfs/dbraw/zinc/48/57/87/1328485787.db2.gz YCSZDQAVADKWOP-UHFFFAOYSA-N 1 2 349.346 3.488 20 5 EGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000933168064 1329868487 /nfs/dbraw/zinc/86/84/87/1329868487.db2.gz BEYPIOKROKWKIT-GHMZBOCLSA-N 1 2 326.780 3.022 20 5 EGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000933168064 1329868488 /nfs/dbraw/zinc/86/84/88/1329868488.db2.gz BEYPIOKROKWKIT-GHMZBOCLSA-N 1 2 326.780 3.022 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[NH2+]CC2(F)F)cc1Cl ZINC001218005131 1373533972 /nfs/dbraw/zinc/53/39/72/1373533972.db2.gz FFKPKIALPXPEGV-SNVBAGLBSA-N 1 2 327.114 3.278 20 5 EGBDLO Cn1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccccc2)cn1 ZINC001116554436 1370935927 /nfs/dbraw/zinc/93/59/27/1370935927.db2.gz SFKJKFKEWHDSRJ-GOSISDBHSA-N 1 2 340.358 3.347 20 5 EGBDLO CCOC(=O)c1cc(Nc2cccc3[nH+]ccn32)cc([N+](=O)[O-])c1 ZINC001211364796 1372540703 /nfs/dbraw/zinc/54/07/03/1372540703.db2.gz SXWAOZDOPGKQJZ-UHFFFAOYSA-N 1 2 326.312 3.163 20 5 EGBDLO O=c1c2ccccc2oc2cc(O[C@@H]3CC[NH2+]CC3(F)F)ccc12 ZINC001218006769 1373534501 /nfs/dbraw/zinc/53/45/01/1373534501.db2.gz NBBUDHFGEANLCA-MRXNPFEDSA-N 1 2 331.318 3.322 20 5 EGBDLO Cc1cc[nH+]c(N2CCC(Oc3cccc(O)c3[N+](=O)[O-])CC2)c1 ZINC001225619645 1375133301 /nfs/dbraw/zinc/13/33/01/1375133301.db2.gz GNACRXXKSTVYOV-UHFFFAOYSA-N 1 2 329.356 3.052 20 5 EGBDLO Cc1cc(N2CCOCC2)cc2[nH+]c(-c3ccccc3[N+](=O)[O-])[nH]c21 ZINC001250745683 1377083666 /nfs/dbraw/zinc/08/36/66/1377083666.db2.gz RTXBUNMVXJUPGI-UHFFFAOYSA-N 1 2 338.367 3.283 20 5 EGBDLO C[C@H]1C[NH+](C2CN(c3ccc4ccc5cccnc5c4n3)C2)C[C@H](C)O1 ZINC001158719695 1381364301 /nfs/dbraw/zinc/36/43/01/1381364301.db2.gz SANIVOQRNNPBRG-GJZGRUSLSA-N 1 2 348.450 3.081 20 5 EGBDLO O=C(CC1CC1)NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159027294 1381521603 /nfs/dbraw/zinc/52/16/03/1381521603.db2.gz BHOQEMMREDUMBQ-UHFFFAOYSA-N 1 2 349.456 3.095 20 5 EGBDLO O=C(CC1CC1)NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159027294 1381521611 /nfs/dbraw/zinc/52/16/11/1381521611.db2.gz BHOQEMMREDUMBQ-UHFFFAOYSA-N 1 2 349.456 3.095 20 5 EGBDLO CC1(C(=O)NCCC2=CC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC001160202555 1382032806 /nfs/dbraw/zinc/03/28/06/1382032806.db2.gz NKHAANUUTMOEPX-UHFFFAOYSA-N 1 2 349.456 3.095 20 5 EGBDLO CC1(C(=O)NCCC2=CC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC001160202555 1382032811 /nfs/dbraw/zinc/03/28/11/1382032811.db2.gz NKHAANUUTMOEPX-UHFFFAOYSA-N 1 2 349.456 3.095 20 5 EGBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)n1 ZINC001160682462 1382168811 /nfs/dbraw/zinc/16/88/11/1382168811.db2.gz DGEXRLOPEVUDDG-VIFPVBQESA-N 1 2 346.778 3.476 20 5 EGBDLO COc1ccc(C[C@H](C)[NH+]2CC(Oc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170345035 1384295606 /nfs/dbraw/zinc/29/56/06/1384295606.db2.gz GVLNINOUNAEHJM-AWEZNQCLSA-N 1 2 342.395 3.298 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CC3(C2)CC(F)(F)C3)c1F ZINC001173187084 1384933201 /nfs/dbraw/zinc/93/32/01/1384933201.db2.gz WMYGHQSRLHRVDG-SNVBAGLBSA-N 1 2 344.333 3.405 20 5 EGBDLO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356616055 283255813 /nfs/dbraw/zinc/25/58/13/283255813.db2.gz KEDVUZDHIVALPV-UHFFFAOYSA-N 1 2 349.431 3.029 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000072835272 203247325 /nfs/dbraw/zinc/24/73/25/203247325.db2.gz SLNPTYHZAJHQOU-QGZVFWFLSA-N 1 2 342.399 3.017 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000072835272 203247326 /nfs/dbraw/zinc/24/73/26/203247326.db2.gz SLNPTYHZAJHQOU-QGZVFWFLSA-N 1 2 342.399 3.017 20 5 EGBDLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000118420559 204275632 /nfs/dbraw/zinc/27/56/32/204275632.db2.gz FMWGDBJSUTZRNI-NXEZZACHSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000118420559 204275637 /nfs/dbraw/zinc/27/56/37/204275637.db2.gz FMWGDBJSUTZRNI-NXEZZACHSA-N 1 2 343.836 3.013 20 5 EGBDLO CO[C@@H](C)c1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000175123007 207096622 /nfs/dbraw/zinc/09/66/22/207096622.db2.gz MVFOSTJDCJGXEA-LBPRGKRZSA-N 1 2 334.376 3.096 20 5 EGBDLO CO[C@@H](C)c1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000175123007 207096623 /nfs/dbraw/zinc/09/66/23/207096623.db2.gz MVFOSTJDCJGXEA-LBPRGKRZSA-N 1 2 334.376 3.096 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374781339 285083174 /nfs/dbraw/zinc/08/31/74/285083174.db2.gz NXNBFRYAQHZGHB-NSHDSACASA-N 1 2 337.177 3.422 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246616747 141020042 /nfs/dbraw/zinc/02/00/42/141020042.db2.gz VHZZUUGADKORSJ-DYVFJYSZSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246616747 141020046 /nfs/dbraw/zinc/02/00/46/141020046.db2.gz VHZZUUGADKORSJ-DYVFJYSZSA-N 1 2 348.424 3.497 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+]Cc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000353447479 141297831 /nfs/dbraw/zinc/29/78/31/141297831.db2.gz MDSWEMVODDIVEM-OAHLLOKOSA-N 1 2 328.397 3.269 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000361595491 144334775 /nfs/dbraw/zinc/33/47/75/144334775.db2.gz WAXTUCLCFSQIIB-UHFFFAOYSA-N 1 2 336.351 3.469 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000361595491 144334777 /nfs/dbraw/zinc/33/47/77/144334777.db2.gz WAXTUCLCFSQIIB-UHFFFAOYSA-N 1 2 336.351 3.469 20 5 EGBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc(Cl)ccc1Cl ZINC000341131169 155179595 /nfs/dbraw/zinc/17/95/95/155179595.db2.gz SLNLAZUSBMOEQY-QMMMGPOBSA-N 1 2 329.187 3.486 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000194767807 153357157 /nfs/dbraw/zinc/35/71/57/153357157.db2.gz DSQMKMGWDMKCSW-LBPRGKRZSA-N 1 2 326.780 3.023 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000194767807 153357159 /nfs/dbraw/zinc/35/71/59/153357159.db2.gz DSQMKMGWDMKCSW-LBPRGKRZSA-N 1 2 326.780 3.023 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c3c(ccc1[N+](=O)[O-])NCC3)CCC2 ZINC000365532959 157161779 /nfs/dbraw/zinc/16/17/79/157161779.db2.gz KQEKWELRUJBDEM-GFCCVEGCSA-N 1 2 327.388 3.057 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000372742482 157375356 /nfs/dbraw/zinc/37/53/56/157375356.db2.gz QIOXQFMPNHZCEJ-ZDUSSCGKSA-N 1 2 343.387 3.107 20 5 EGBDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000338936767 163393180 /nfs/dbraw/zinc/39/31/80/163393180.db2.gz QFFBPXRZZDPBIZ-UHFFFAOYSA-N 1 2 336.351 3.116 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCCCNc1cccc[nH+]1 ZINC000352359348 165361475 /nfs/dbraw/zinc/36/14/75/165361475.db2.gz GJZMJZNNXMQZKR-UHFFFAOYSA-N 1 2 337.383 3.264 20 5 EGBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000360185682 167266639 /nfs/dbraw/zinc/26/66/39/167266639.db2.gz VDVDDKFHDFWGDV-UHFFFAOYSA-N 1 2 348.362 3.043 20 5 EGBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775028 265340870 /nfs/dbraw/zinc/34/08/70/265340870.db2.gz IWDWSPIUIWDMBT-RBSFLKMASA-N 1 2 333.432 3.205 20 5 EGBDLO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178775028 265340873 /nfs/dbraw/zinc/34/08/73/265340873.db2.gz IWDWSPIUIWDMBT-RBSFLKMASA-N 1 2 333.432 3.205 20 5 EGBDLO Cc1cc(N2CCC[C@H]2C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269896738 266377821 /nfs/dbraw/zinc/37/78/21/266377821.db2.gz SDTWIADBSXYPJI-CJNGLKHVSA-N 1 2 342.399 3.100 20 5 EGBDLO COc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000046106014 275135664 /nfs/dbraw/zinc/13/56/64/275135664.db2.gz HEERAUQERSAREZ-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(O)c1 ZINC000181559079 275208066 /nfs/dbraw/zinc/20/80/66/275208066.db2.gz OCIRSZVFFBJXDP-NSHDSACASA-N 1 2 340.339 3.201 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@]2(CO)CCCc3ccccc32)c(F)c1 ZINC000285417244 275873696 /nfs/dbraw/zinc/87/36/96/275873696.db2.gz VLUIZLUAYBSZST-GOSISDBHSA-N 1 2 348.349 3.187 20 5 EGBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362347915 276999424 /nfs/dbraw/zinc/99/94/24/276999424.db2.gz BHCGJULGVMCEHN-UHFFFAOYSA-N 1 2 327.319 3.155 20 5 EGBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120145004 307503615 /nfs/dbraw/zinc/50/36/15/307503615.db2.gz NDMWEEDHUBSXJM-DYLGSBMWSA-N 1 2 344.346 3.224 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](CF)C2)s1 ZINC000414468294 309082052 /nfs/dbraw/zinc/08/20/52/309082052.db2.gz GIWJJYHVXNBEDF-LBPRGKRZSA-N 1 2 336.388 3.494 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](CF)C2)s1 ZINC000414468294 309082053 /nfs/dbraw/zinc/08/20/53/309082053.db2.gz GIWJJYHVXNBEDF-LBPRGKRZSA-N 1 2 336.388 3.494 20 5 EGBDLO CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000294667390 308243874 /nfs/dbraw/zinc/24/38/74/308243874.db2.gz HODRMOLMNRLLMK-VHSXEESVSA-N 1 2 336.417 3.192 20 5 EGBDLO CS[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000294975846 308277961 /nfs/dbraw/zinc/27/79/61/308277961.db2.gz LMCXWLHQRGHNBU-CQSZACIVSA-N 1 2 330.413 3.302 20 5 EGBDLO CCn1cc([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000295267118 308309080 /nfs/dbraw/zinc/30/90/80/308309080.db2.gz ANSZDWFMXQETPS-GFCCVEGCSA-N 1 2 341.371 3.317 20 5 EGBDLO CC(=O)c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000296257449 308409163 /nfs/dbraw/zinc/40/91/63/308409163.db2.gz GCJLRCIUPHKGSG-UHFFFAOYSA-N 1 2 339.395 3.120 20 5 EGBDLO Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301120596 308688886 /nfs/dbraw/zinc/68/88/86/308688886.db2.gz YSNPCZPTZHKWNU-INIZCTEOSA-N 1 2 347.440 3.450 20 5 EGBDLO Cn1c(CCNc2ccc(F)cc2[N+](=O)[O-])[nH+]c2ccc(F)cc21 ZINC000301378452 308698483 /nfs/dbraw/zinc/69/84/83/308698483.db2.gz XJXZINDGEQUSPK-UHFFFAOYSA-N 1 2 332.310 3.414 20 5 EGBDLO CC(C)(C)c1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000332620609 308841349 /nfs/dbraw/zinc/84/13/49/308841349.db2.gz NSAKNFLZJLNLIX-LBPRGKRZSA-N 1 2 342.399 3.290 20 5 EGBDLO C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000411083944 308926083 /nfs/dbraw/zinc/92/60/83/308926083.db2.gz IEBRNEPBVVDNCQ-GFCCVEGCSA-N 1 2 328.372 3.184 20 5 EGBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@H]1n1cc[nH+]c1 ZINC000413203595 309021257 /nfs/dbraw/zinc/02/12/57/309021257.db2.gz XJXYKRMMMGLKJY-SUMWQHHRSA-N 1 2 337.383 3.427 20 5 EGBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417385842 309203906 /nfs/dbraw/zinc/20/39/06/309203906.db2.gz YBMUSEPGJJBGTN-SJORKVTESA-N 1 2 346.431 3.068 20 5 EGBDLO CC[C@@H]1C[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](CC)O1 ZINC000420959247 309304416 /nfs/dbraw/zinc/30/44/16/309304416.db2.gz QDCWIVSTIONNDH-RBSFLKMASA-N 1 2 349.431 3.120 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1Nc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000432049507 309649872 /nfs/dbraw/zinc/64/98/72/309649872.db2.gz NHFQZNXXOCYESI-UHFFFAOYSA-N 1 2 334.339 3.411 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccnn1-c1ccccc1)CC2 ZINC000448332010 310002041 /nfs/dbraw/zinc/00/20/41/310002041.db2.gz LEECBZPOXXHLOY-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccnn1-c1ccccc1)CC2 ZINC000448332010 310002042 /nfs/dbraw/zinc/00/20/42/310002042.db2.gz LEECBZPOXXHLOY-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448557783 310006274 /nfs/dbraw/zinc/00/62/74/310006274.db2.gz SDAKNSLBIFRJAS-CQSZACIVSA-N 1 2 328.372 3.185 20 5 EGBDLO CCC(C)(C)OCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000453419885 310276154 /nfs/dbraw/zinc/27/61/54/310276154.db2.gz XASAGDOMZZKUPX-MRXNPFEDSA-N 1 2 346.431 3.213 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000454936873 310336621 /nfs/dbraw/zinc/33/66/21/310336621.db2.gz BIJUQANXLLNIAT-LBPRGKRZSA-N 1 2 331.376 3.311 20 5 EGBDLO Cc1cc(C)c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000455489674 310363377 /nfs/dbraw/zinc/36/33/77/310363377.db2.gz VXQLAJBOTWGVHB-UHFFFAOYSA-N 1 2 328.372 3.279 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456829584 310424375 /nfs/dbraw/zinc/42/43/75/310424375.db2.gz CQKHBPNQZKBGKH-MRXNPFEDSA-N 1 2 341.411 3.492 20 5 EGBDLO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000459126259 310534386 /nfs/dbraw/zinc/53/43/86/310534386.db2.gz WPPBJPLWFFJMCY-DGCLKSJQSA-N 1 2 343.387 3.032 20 5 EGBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc2c(s1)CCC2 ZINC000459631939 310565282 /nfs/dbraw/zinc/56/52/82/310565282.db2.gz MHTBEOZQLHXSQI-SECBINFHSA-N 1 2 343.412 3.267 20 5 EGBDLO CO[C@@](C)(CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000461866111 310593092 /nfs/dbraw/zinc/59/30/92/310593092.db2.gz KKBAEYUQLFCWBJ-SFHVURJKSA-N 1 2 342.399 3.009 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000473507850 310775798 /nfs/dbraw/zinc/77/57/98/310775798.db2.gz KFMNHHQGILHLIU-UHFFFAOYSA-N 1 2 347.378 3.486 20 5 EGBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCCNc1cccc[nH+]1 ZINC000491507944 311182430 /nfs/dbraw/zinc/18/24/30/311182430.db2.gz WDXUVWXFXPHSKU-MDZDMXLPSA-N 1 2 340.383 3.012 20 5 EGBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491895888 311196342 /nfs/dbraw/zinc/19/63/42/311196342.db2.gz RCTSKKRJVACNLB-FPLPWBNLSA-N 1 2 348.362 3.110 20 5 EGBDLO CCCN(C(=O)/C=C/c1[nH+]ccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000493519502 311388874 /nfs/dbraw/zinc/38/88/74/311388874.db2.gz HLQUUBONSUHLRN-CMDGGOBGSA-N 1 2 328.372 3.268 20 5 EGBDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000536637978 314133195 /nfs/dbraw/zinc/13/31/95/314133195.db2.gz BSAIBRPADGQFIV-CJNGLKHVSA-N 1 2 342.399 3.028 20 5 EGBDLO Cc1c(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)cccc1[N+](=O)[O-] ZINC000537176997 314165806 /nfs/dbraw/zinc/16/58/06/314165806.db2.gz IWYINCVLAIPSKX-UHFFFAOYSA-N 1 2 345.365 3.362 20 5 EGBDLO Cc1c(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)cccc1[N+](=O)[O-] ZINC000537176997 314165809 /nfs/dbraw/zinc/16/58/09/314165809.db2.gz IWYINCVLAIPSKX-UHFFFAOYSA-N 1 2 345.365 3.362 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)cc1OC(F)F ZINC000537605207 314195082 /nfs/dbraw/zinc/19/50/82/314195082.db2.gz PHEHOPQCFDFNNN-UHFFFAOYSA-N 1 2 326.303 3.285 20 5 EGBDLO Cc1cc(NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000539791302 314337930 /nfs/dbraw/zinc/33/79/30/314337930.db2.gz NQANQTJXSKEUKB-UHFFFAOYSA-N 1 2 348.790 3.046 20 5 EGBDLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000182888037 323581485 /nfs/dbraw/zinc/58/14/85/323581485.db2.gz UPQYTYZQMUKWGE-KRWDZBQOSA-N 1 2 342.399 3.390 20 5 EGBDLO Cc1nc(N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000349426630 324024711 /nfs/dbraw/zinc/02/47/11/324024711.db2.gz WGUAQXPXLIXHLY-INIZCTEOSA-N 1 2 341.346 3.372 20 5 EGBDLO COCc1cc(NCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2[nH+]1 ZINC000581422194 325360080 /nfs/dbraw/zinc/36/00/80/325360080.db2.gz YBLWPKZBWFGGCT-UHFFFAOYSA-N 1 2 341.342 3.463 20 5 EGBDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006999833 453016731 /nfs/dbraw/zinc/01/67/31/453016731.db2.gz BSJFJNDTWMVSMI-MRXNPFEDSA-N 1 2 325.372 3.147 20 5 EGBDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006999833 453016738 /nfs/dbraw/zinc/01/67/38/453016738.db2.gz BSJFJNDTWMVSMI-MRXNPFEDSA-N 1 2 325.372 3.147 20 5 EGBDLO Cc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000010162967 453280415 /nfs/dbraw/zinc/28/04/15/453280415.db2.gz YXLXPGLNARGSCY-UHFFFAOYSA-N 1 2 340.383 3.153 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348624 453797562 /nfs/dbraw/zinc/79/75/62/453797562.db2.gz HHMUIQRIFTZZDT-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348624 453797564 /nfs/dbraw/zinc/79/75/64/453797564.db2.gz HHMUIQRIFTZZDT-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO Cc1cc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1[NH+](C)C ZINC000029627311 453830330 /nfs/dbraw/zinc/83/03/30/453830330.db2.gz VLBQDFLIQODHQU-UHFFFAOYSA-N 1 2 349.412 3.116 20 5 EGBDLO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032058804 453863054 /nfs/dbraw/zinc/86/30/54/453863054.db2.gz SXPGYCXIRAXOAI-ZDUSSCGKSA-N 1 2 348.362 3.372 20 5 EGBDLO CC(C)CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033243844 453911924 /nfs/dbraw/zinc/91/19/24/453911924.db2.gz RRVKLGKLYUPTBD-CYBMUJFWSA-N 1 2 330.388 3.335 20 5 EGBDLO Cc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000054224984 453917794 /nfs/dbraw/zinc/91/77/94/453917794.db2.gz OKXZRKUJZSNDKC-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cccc([N+](=O)[O-])c3C)cn2c1 ZINC000056546349 454066023 /nfs/dbraw/zinc/06/60/23/454066023.db2.gz NSFRVWNJAAJZEA-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)c1 ZINC000043801580 454078414 /nfs/dbraw/zinc/07/84/14/454078414.db2.gz CAVOCAYESLJNGM-UHFFFAOYSA-N 1 2 336.351 3.203 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)c1 ZINC000043801580 454078418 /nfs/dbraw/zinc/07/84/18/454078418.db2.gz CAVOCAYESLJNGM-UHFFFAOYSA-N 1 2 336.351 3.203 20 5 EGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069189913 454085825 /nfs/dbraw/zinc/08/58/25/454085825.db2.gz WLASZHWZHRFDRY-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO Cc1[nH]nc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1[N+](=O)[O-] ZINC000078459513 454256418 /nfs/dbraw/zinc/25/64/18/454256418.db2.gz GKVDKHFBJMBIOQ-UHFFFAOYSA-N 1 2 340.343 3.022 20 5 EGBDLO Cc1cnc(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078631594 454290207 /nfs/dbraw/zinc/29/02/07/454290207.db2.gz XDDWDQNTEBTXCL-STQMWFEESA-N 1 2 343.387 3.050 20 5 EGBDLO CCc1cc(NCC(C)(C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078678490 454297633 /nfs/dbraw/zinc/29/76/33/454297633.db2.gz MSDFEOQNKBFMPC-UHFFFAOYSA-N 1 2 344.415 3.435 20 5 EGBDLO COc1ccc(COc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000072674255 454325862 /nfs/dbraw/zinc/32/58/62/454325862.db2.gz MPCHOVXFORUJLN-UHFFFAOYSA-N 1 2 325.324 3.368 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000079182346 454378396 /nfs/dbraw/zinc/37/83/96/454378396.db2.gz OCYJNAUTVGFQLV-UHFFFAOYSA-N 1 2 343.387 3.158 20 5 EGBDLO O=[N+]([O-])c1c(NCCCc2[nH]c3ccccc3[nH+]2)nc2sccn21 ZINC000073109859 454396393 /nfs/dbraw/zinc/39/63/93/454396393.db2.gz VYMXGNONMGFYQV-UHFFFAOYSA-N 1 2 342.384 3.225 20 5 EGBDLO CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073322897 454421045 /nfs/dbraw/zinc/42/10/45/454421045.db2.gz HGQKGYBDXZMYMZ-OCCSQVGLSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000121519441 454445703 /nfs/dbraw/zinc/44/57/03/454445703.db2.gz NNPQRHWVKQRWEH-SFHVURJKSA-N 1 2 330.359 3.482 20 5 EGBDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000121519441 454445708 /nfs/dbraw/zinc/44/57/08/454445708.db2.gz NNPQRHWVKQRWEH-SFHVURJKSA-N 1 2 330.359 3.482 20 5 EGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000049236060 454540861 /nfs/dbraw/zinc/54/08/61/454540861.db2.gz VEVXLCXJURHLBO-VIFPVBQESA-N 1 2 325.166 3.054 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103965933 454571929 /nfs/dbraw/zinc/57/19/29/454571929.db2.gz DEJGZEJARSRASQ-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000122968218 454587743 /nfs/dbraw/zinc/58/77/43/454587743.db2.gz MOGWILYEODIKGH-UHFFFAOYSA-N 1 2 335.795 3.063 20 5 EGBDLO CC(C)N(C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000135222030 454648551 /nfs/dbraw/zinc/64/85/51/454648551.db2.gz CYEVPRKASMJOCY-UHFFFAOYSA-N 1 2 333.432 3.205 20 5 EGBDLO CC(C)N(C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000135222030 454648555 /nfs/dbraw/zinc/64/85/55/454648555.db2.gz CYEVPRKASMJOCY-UHFFFAOYSA-N 1 2 333.432 3.205 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(F)F)C(C)C ZINC000135386105 454671209 /nfs/dbraw/zinc/67/12/09/454671209.db2.gz XEQXSGCUSXNKGB-UHFFFAOYSA-N 1 2 329.347 3.207 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000135386105 454671214 /nfs/dbraw/zinc/67/12/14/454671214.db2.gz XEQXSGCUSXNKGB-UHFFFAOYSA-N 1 2 329.347 3.207 20 5 EGBDLO COc1ccc(CSCC(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000107292847 454750596 /nfs/dbraw/zinc/75/05/96/454750596.db2.gz KDCWGQCHUGSCDE-UHFFFAOYSA-N 1 2 347.396 3.179 20 5 EGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163498393 454851545 /nfs/dbraw/zinc/85/15/45/454851545.db2.gz UHANVUJGVSZDDH-HNNXBMFYSA-N 1 2 339.823 3.081 20 5 EGBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163498393 454851549 /nfs/dbraw/zinc/85/15/49/454851549.db2.gz UHANVUJGVSZDDH-HNNXBMFYSA-N 1 2 339.823 3.081 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000150780240 454891301 /nfs/dbraw/zinc/89/13/01/454891301.db2.gz IVOVQEBODNCZRL-ZIAGYGMSSA-N 1 2 342.399 3.431 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000178268609 454945073 /nfs/dbraw/zinc/94/50/73/454945073.db2.gz RJHODRKLLZZSQY-HUUCEWRRSA-N 1 2 340.383 3.043 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2scnc2C)c([N+](=O)[O-])cc1OC ZINC000179427408 455047297 /nfs/dbraw/zinc/04/72/97/455047297.db2.gz VCWIADKWTXSZAI-UHFFFAOYSA-N 1 2 337.401 3.009 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2scnc2C)c([N+](=O)[O-])cc1OC ZINC000179427408 455047300 /nfs/dbraw/zinc/04/73/00/455047300.db2.gz VCWIADKWTXSZAI-UHFFFAOYSA-N 1 2 337.401 3.009 20 5 EGBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000128562951 455068136 /nfs/dbraw/zinc/06/81/36/455068136.db2.gz LHAIZVCRQIYYJP-UHFFFAOYSA-N 1 2 341.245 3.270 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129999379 455136787 /nfs/dbraw/zinc/13/67/87/455136787.db2.gz HNYIBTRPNXDZKV-INIZCTEOSA-N 1 2 345.443 3.350 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129999379 455136790 /nfs/dbraw/zinc/13/67/90/455136790.db2.gz HNYIBTRPNXDZKV-INIZCTEOSA-N 1 2 345.443 3.350 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000192258063 455582835 /nfs/dbraw/zinc/58/28/35/455582835.db2.gz YVCVSOYZFRBNDQ-UHFFFAOYSA-N 1 2 344.415 3.215 20 5 EGBDLO COC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)oc1C ZINC000185650185 455589896 /nfs/dbraw/zinc/58/98/96/455589896.db2.gz GPYXLPJKTLPYBF-UHFFFAOYSA-N 1 2 338.747 3.226 20 5 EGBDLO CC(C)([NH2+]Cc1ncc(C2OCCO2)s1)c1ccccc1[N+](=O)[O-] ZINC000292754839 455749172 /nfs/dbraw/zinc/74/91/72/455749172.db2.gz IVYJKTOHPSMJBO-UHFFFAOYSA-N 1 2 349.412 3.122 20 5 EGBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000284998094 455775206 /nfs/dbraw/zinc/77/52/06/455775206.db2.gz GSEFLIXDBMKLFA-HBNTYKKESA-N 1 2 332.408 3.220 20 5 EGBDLO COC(=O)c1ccoc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269086458 455786992 /nfs/dbraw/zinc/78/69/92/455786992.db2.gz ILWJSILSOYPHRU-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1ccoc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269086458 455786995 /nfs/dbraw/zinc/78/69/95/455786995.db2.gz ILWJSILSOYPHRU-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO Cc1ccnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000301273938 456077974 /nfs/dbraw/zinc/07/79/74/456077974.db2.gz IGMUZBBMRRQAPC-UHFFFAOYSA-N 1 2 327.319 3.235 20 5 EGBDLO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886988 456169331 /nfs/dbraw/zinc/16/93/31/456169331.db2.gz SBUGDJXLRAFDHQ-GDBMZVCRSA-N 1 2 338.379 3.132 20 5 EGBDLO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886988 456169339 /nfs/dbraw/zinc/16/93/39/456169339.db2.gz SBUGDJXLRAFDHQ-GDBMZVCRSA-N 1 2 338.379 3.132 20 5 EGBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1(F)F ZINC000289985664 456206036 /nfs/dbraw/zinc/20/60/36/456206036.db2.gz XYZHZGNHNGUQJO-VIFPVBQESA-N 1 2 347.749 3.164 20 5 EGBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1(F)F ZINC000289985664 456206038 /nfs/dbraw/zinc/20/60/38/456206038.db2.gz XYZHZGNHNGUQJO-VIFPVBQESA-N 1 2 347.749 3.164 20 5 EGBDLO Nc1nc(NCc2ccc([N+](=O)[O-])cc2Cl)[nH+]c2ccccc12 ZINC000302215997 456320553 /nfs/dbraw/zinc/32/05/53/456320553.db2.gz OYKMHHSQTPKEPS-UHFFFAOYSA-N 1 2 329.747 3.386 20 5 EGBDLO Cc1cc(Cl)ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000343239504 456475151 /nfs/dbraw/zinc/47/51/51/456475151.db2.gz QGKDSWPALGNMFF-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000298627183 456504200 /nfs/dbraw/zinc/50/42/00/456504200.db2.gz GDWSBNBCNPNBRO-QWRGUYRKSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000298627183 456504202 /nfs/dbraw/zinc/50/42/02/456504202.db2.gz GDWSBNBCNPNBRO-QWRGUYRKSA-N 1 2 345.321 3.196 20 5 EGBDLO CC(C)[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276648221 456541776 /nfs/dbraw/zinc/54/17/76/456541776.db2.gz RRNBYERWYGOZBD-RISCZKNCSA-N 1 2 348.428 3.312 20 5 EGBDLO COc1ccc(NC(=O)C[N@H+](Cc2ccco2)C(C)C)c([N+](=O)[O-])c1 ZINC000299333731 456659907 /nfs/dbraw/zinc/65/99/07/456659907.db2.gz COVIXTSEFGMIHL-UHFFFAOYSA-N 1 2 347.371 3.046 20 5 EGBDLO COc1ccc(NC(=O)C[N@@H+](Cc2ccco2)C(C)C)c([N+](=O)[O-])c1 ZINC000299333731 456659912 /nfs/dbraw/zinc/65/99/12/456659912.db2.gz COVIXTSEFGMIHL-UHFFFAOYSA-N 1 2 347.371 3.046 20 5 EGBDLO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000344801576 456860665 /nfs/dbraw/zinc/86/06/65/456860665.db2.gz WUOIPPWRUHHSPI-RDTXWAMCSA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000344801576 456860667 /nfs/dbraw/zinc/86/06/67/456860667.db2.gz WUOIPPWRUHHSPI-RDTXWAMCSA-N 1 2 339.395 3.047 20 5 EGBDLO Cc1cc(N[C@H]2C[C@@H]2c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339098148 456939494 /nfs/dbraw/zinc/93/94/94/456939494.db2.gz NQSCWWLGEBEMDG-SJORKVTESA-N 1 2 347.378 3.145 20 5 EGBDLO CCO[C@@H](C)c1noc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000353971863 456984155 /nfs/dbraw/zinc/98/41/55/456984155.db2.gz MGONMRBKSJLSKK-JWJUJFCLSA-N 1 2 346.387 3.221 20 5 EGBDLO CCO[C@@H](C)c1noc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000353971863 456984158 /nfs/dbraw/zinc/98/41/58/456984158.db2.gz MGONMRBKSJLSKK-JWJUJFCLSA-N 1 2 346.387 3.221 20 5 EGBDLO CC(C)OCc1nc([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])no1 ZINC000356530325 457038686 /nfs/dbraw/zinc/03/86/86/457038686.db2.gz RLOYFLFRVGYCOO-FWPCIQOSSA-N 1 2 346.387 3.267 20 5 EGBDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000330728938 457078011 /nfs/dbraw/zinc/07/80/11/457078011.db2.gz HDEBHTSJQKTSNQ-DOMZBBRYSA-N 1 2 346.387 3.063 20 5 EGBDLO CC(C)[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000330728938 457078018 /nfs/dbraw/zinc/07/80/18/457078018.db2.gz HDEBHTSJQKTSNQ-DOMZBBRYSA-N 1 2 346.387 3.063 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC000342120871 457120612 /nfs/dbraw/zinc/12/06/12/457120612.db2.gz FRYDHZVKMTUEOE-UHFFFAOYSA-N 1 2 332.316 3.233 20 5 EGBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2OC(F)F)c[nH+]1 ZINC000354516210 457266790 /nfs/dbraw/zinc/26/67/90/457266790.db2.gz ZYPZWVHMMIPSHE-UHFFFAOYSA-N 1 2 338.314 3.269 20 5 EGBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000347224500 457297245 /nfs/dbraw/zinc/29/72/45/457297245.db2.gz LBRBDABLKWMZOH-YVEFUNNKSA-N 1 2 337.383 3.449 20 5 EGBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000347224500 457297249 /nfs/dbraw/zinc/29/72/49/457297249.db2.gz LBRBDABLKWMZOH-YVEFUNNKSA-N 1 2 337.383 3.449 20 5 EGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c[nH+]c1N1CCCC[C@@H]1C ZINC000332110040 457306337 /nfs/dbraw/zinc/30/63/37/457306337.db2.gz FUOWUEKXFNEJPS-LBPRGKRZSA-N 1 2 343.387 3.257 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354703258 457312610 /nfs/dbraw/zinc/31/26/10/457312610.db2.gz JVMKEAUZFREEIS-QZTJIDSGSA-N 1 2 332.400 3.137 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354703258 457312617 /nfs/dbraw/zinc/31/26/17/457312617.db2.gz JVMKEAUZFREEIS-QZTJIDSGSA-N 1 2 332.400 3.137 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(C(F)(F)F)CC3)nc2c1 ZINC000332221190 457329301 /nfs/dbraw/zinc/32/93/01/457329301.db2.gz JJWJKTNLDKPMFT-UHFFFAOYSA-N 1 2 328.294 3.245 20 5 EGBDLO C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342511036 457342839 /nfs/dbraw/zinc/34/28/39/457342839.db2.gz VWPUYUGOQRFZBS-KSSFIOAISA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342511036 457342846 /nfs/dbraw/zinc/34/28/46/457342846.db2.gz VWPUYUGOQRFZBS-KSSFIOAISA-N 1 2 339.395 3.047 20 5 EGBDLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)no1 ZINC000332342422 457352851 /nfs/dbraw/zinc/35/28/51/457352851.db2.gz QZXIJJDJUHUFSG-GFCCVEGCSA-N 1 2 346.387 3.186 20 5 EGBDLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)no1 ZINC000332342422 457352856 /nfs/dbraw/zinc/35/28/56/457352856.db2.gz QZXIJJDJUHUFSG-GFCCVEGCSA-N 1 2 346.387 3.186 20 5 EGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000357164421 457355001 /nfs/dbraw/zinc/35/50/01/457355001.db2.gz GECPPBLLDVJAMV-SNVBAGLBSA-N 1 2 346.362 3.324 20 5 EGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000357164421 457355007 /nfs/dbraw/zinc/35/50/07/457355007.db2.gz GECPPBLLDVJAMV-SNVBAGLBSA-N 1 2 346.362 3.324 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)c2cc([N+](=O)[O-])ccc2C(C)=O)c1C ZINC000360953706 457461383 /nfs/dbraw/zinc/46/13/83/457461383.db2.gz MOGYPTACIAHWKO-UHFFFAOYSA-N 1 2 343.383 3.454 20 5 EGBDLO CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000357479044 457554648 /nfs/dbraw/zinc/55/46/48/457554648.db2.gz RCGQCZQNPKVYKY-DZGCQCFKSA-N 1 2 342.399 3.479 20 5 EGBDLO CO[C@@]1(C)CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425476702 457569435 /nfs/dbraw/zinc/56/94/35/457569435.db2.gz LROVBPBEDJWTBI-AWEZNQCLSA-N 1 2 343.221 3.358 20 5 EGBDLO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425476702 457569442 /nfs/dbraw/zinc/56/94/42/457569442.db2.gz LROVBPBEDJWTBI-AWEZNQCLSA-N 1 2 343.221 3.358 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000427467699 457990810 /nfs/dbraw/zinc/99/08/10/457990810.db2.gz VGYVQYUUUPWEQD-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000412030937 458055831 /nfs/dbraw/zinc/05/58/31/458055831.db2.gz XBVXWHNEYFTPRV-ZDUSSCGKSA-N 1 2 331.372 3.345 20 5 EGBDLO CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000412030937 458055837 /nfs/dbraw/zinc/05/58/37/458055837.db2.gz XBVXWHNEYFTPRV-ZDUSSCGKSA-N 1 2 331.372 3.345 20 5 EGBDLO CCOC(=O)c1cc(C(=O)Nc2c(C)cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000362395699 458151241 /nfs/dbraw/zinc/15/12/41/458151241.db2.gz JLQCFAXTFKZEQW-UHFFFAOYSA-N 1 2 343.339 3.036 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000372991887 458368892 /nfs/dbraw/zinc/36/88/92/458368892.db2.gz WJXIRSQTNMZUAA-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373104242 458398008 /nfs/dbraw/zinc/39/80/08/458398008.db2.gz MYAFBAKNHGIJCN-CYBMUJFWSA-N 1 2 343.387 3.048 20 5 EGBDLO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436939085 458409971 /nfs/dbraw/zinc/40/99/71/458409971.db2.gz NQBNBLOFRNPUCM-UHFFFAOYSA-N 1 2 349.431 3.029 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437829499 458498580 /nfs/dbraw/zinc/49/85/80/458498580.db2.gz PWTHZUBNRNVCJD-INIZCTEOSA-N 1 2 339.395 3.159 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437829499 458498585 /nfs/dbraw/zinc/49/85/85/458498585.db2.gz PWTHZUBNRNVCJD-INIZCTEOSA-N 1 2 339.395 3.159 20 5 EGBDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000377937998 458578070 /nfs/dbraw/zinc/57/80/70/458578070.db2.gz ATNYNWVNZRWELC-JSGCOSHPSA-N 1 2 332.404 3.457 20 5 EGBDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000377937998 458578075 /nfs/dbraw/zinc/57/80/75/458578075.db2.gz ATNYNWVNZRWELC-JSGCOSHPSA-N 1 2 332.404 3.457 20 5 EGBDLO C[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000432315264 458713869 /nfs/dbraw/zinc/71/38/69/458713869.db2.gz QOOJYMCZBUQJLQ-GUYCJALGSA-N 1 2 337.383 3.427 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(F)c1 ZINC000530623373 458800649 /nfs/dbraw/zinc/80/06/49/458800649.db2.gz NJICJHMPZYIXTN-LBPRGKRZSA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c(F)c1 ZINC000530623373 458800656 /nfs/dbraw/zinc/80/06/56/458800656.db2.gz NJICJHMPZYIXTN-LBPRGKRZSA-N 1 2 336.285 3.277 20 5 EGBDLO CC[C@](C)([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000440698768 458844367 /nfs/dbraw/zinc/84/43/67/458844367.db2.gz QWGNNBMCXOCDIE-INIZCTEOSA-N 1 2 348.428 3.213 20 5 EGBDLO O=C(N[C@@H](C1CC1)C1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457235387 458904291 /nfs/dbraw/zinc/90/42/91/458904291.db2.gz IEIGULJKUDJTTF-QGZVFWFLSA-N 1 2 340.383 3.089 20 5 EGBDLO C[NH+](C)Cc1csc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000457310278 458918460 /nfs/dbraw/zinc/91/84/60/458918460.db2.gz JECFBCZYPMXKFQ-UHFFFAOYSA-N 1 2 348.428 3.029 20 5 EGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000495745699 458938905 /nfs/dbraw/zinc/93/89/05/458938905.db2.gz BFCSFZHTYDEFDE-CYBMUJFWSA-N 1 2 341.433 3.145 20 5 EGBDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000495745699 458938910 /nfs/dbraw/zinc/93/89/10/458938910.db2.gz BFCSFZHTYDEFDE-CYBMUJFWSA-N 1 2 341.433 3.145 20 5 EGBDLO CC(C)(C)OC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000533379525 459228156 /nfs/dbraw/zinc/22/81/56/459228156.db2.gz QODMZJVYJSVZKQ-UHFFFAOYSA-N 1 2 334.416 3.381 20 5 EGBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000595286399 459266725 /nfs/dbraw/zinc/26/67/25/459266725.db2.gz GZHJVLGMRDKAQF-CQSZACIVSA-N 1 2 332.331 3.006 20 5 EGBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000595286399 459266732 /nfs/dbraw/zinc/26/67/32/459266732.db2.gz GZHJVLGMRDKAQF-CQSZACIVSA-N 1 2 332.331 3.006 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])ccc1SC ZINC000595296600 459271746 /nfs/dbraw/zinc/27/17/46/459271746.db2.gz GKGPGCXYPYOPEQ-UHFFFAOYSA-N 1 2 337.401 3.254 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])ccc1SC ZINC000595296600 459271752 /nfs/dbraw/zinc/27/17/52/459271752.db2.gz GKGPGCXYPYOPEQ-UHFFFAOYSA-N 1 2 337.401 3.254 20 5 EGBDLO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000595424252 459297077 /nfs/dbraw/zinc/29/70/77/459297077.db2.gz PWSDDTFKMXTENC-AWEZNQCLSA-N 1 2 334.351 3.481 20 5 EGBDLO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595802664 459447400 /nfs/dbraw/zinc/44/74/00/459447400.db2.gz IIHDJGQPOHKPIT-CQSZACIVSA-N 1 2 347.394 3.293 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608784403 459882963 /nfs/dbraw/zinc/88/29/63/459882963.db2.gz RQZRQWPOAPEIJM-UHFFFAOYSA-N 1 2 344.293 3.419 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608784403 459882968 /nfs/dbraw/zinc/88/29/68/459882968.db2.gz RQZRQWPOAPEIJM-UHFFFAOYSA-N 1 2 344.293 3.419 20 5 EGBDLO CC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCCO1 ZINC000602449753 459943372 /nfs/dbraw/zinc/94/33/72/459943372.db2.gz RRZAIYVNKLTEDC-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO CC[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCCO1 ZINC000602449753 459943379 /nfs/dbraw/zinc/94/33/79/459943379.db2.gz RRZAIYVNKLTEDC-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000610476199 460159158 /nfs/dbraw/zinc/15/91/58/460159158.db2.gz BFEXELPRQXDSAE-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000610476199 460159167 /nfs/dbraw/zinc/15/91/67/460159167.db2.gz BFEXELPRQXDSAE-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000603006707 460217514 /nfs/dbraw/zinc/21/75/14/460217514.db2.gz JQAGXEYQSSZQAF-HNNXBMFYSA-N 1 2 341.411 3.179 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC=C(C(F)(F)F)CC1)OCCO2 ZINC000611274279 460326155 /nfs/dbraw/zinc/32/61/55/460326155.db2.gz KTWKOEUONCHXPF-UHFFFAOYSA-N 1 2 344.289 3.060 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC=C(C(F)(F)F)CC1)OCCO2 ZINC000611274279 460326160 /nfs/dbraw/zinc/32/61/60/460326160.db2.gz KTWKOEUONCHXPF-UHFFFAOYSA-N 1 2 344.289 3.060 20 5 EGBDLO Cc1c(C[NH+]2CCN(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000603836647 460344882 /nfs/dbraw/zinc/34/48/82/460344882.db2.gz SMJOYNVJOWLAHL-UHFFFAOYSA-N 1 2 329.375 3.365 20 5 EGBDLO COc1cc(C[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521230 460386328 /nfs/dbraw/zinc/38/63/28/460386328.db2.gz XCVQUBSQQPGQNP-UHFFFAOYSA-N 1 2 328.315 3.009 20 5 EGBDLO COc1cc(C[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611521230 460386333 /nfs/dbraw/zinc/38/63/33/460386333.db2.gz XCVQUBSQQPGQNP-UHFFFAOYSA-N 1 2 328.315 3.009 20 5 EGBDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000604532753 460442627 /nfs/dbraw/zinc/44/26/27/460442627.db2.gz CBJONZVCUORQDE-FZMZJTMJSA-N 1 2 344.367 3.372 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000601187899 460745273 /nfs/dbraw/zinc/74/52/73/460745273.db2.gz ZJZOQLSPYHVDQJ-UHFFFAOYSA-N 1 2 337.383 3.325 20 5 EGBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnnn1C1CCCCC1 ZINC000189782476 533976947 /nfs/dbraw/zinc/97/69/47/533976947.db2.gz GVWKPCIASDAMIR-STQMWFEESA-N 1 2 344.419 3.498 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000265040340 536089909 /nfs/dbraw/zinc/08/99/09/536089909.db2.gz WBUPOHUOZXIYRN-UHFFFAOYSA-N 1 2 326.356 3.379 20 5 EGBDLO O=C(Nc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031809670 546536190 /nfs/dbraw/zinc/53/61/90/546536190.db2.gz MCZGAKJRKIAAIV-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\Cl)CC2)c(C(F)(F)F)c1 ZINC000727587126 574676796 /nfs/dbraw/zinc/67/67/96/574676796.db2.gz YCIVFTRAJQPVIO-RJRFIUFISA-N 1 2 349.740 3.488 20 5 EGBDLO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743380213 576807649 /nfs/dbraw/zinc/80/76/49/576807649.db2.gz WHXRGZZXHACNKG-ZYHUDNBSSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743380213 576807650 /nfs/dbraw/zinc/80/76/50/576807650.db2.gz WHXRGZZXHACNKG-ZYHUDNBSSA-N 1 2 345.241 3.412 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])ccc2n1C ZINC000744381244 576826774 /nfs/dbraw/zinc/82/67/74/576826774.db2.gz QDKHPPFCTGCEPZ-UHFFFAOYSA-N 1 2 346.293 3.320 20 5 EGBDLO C[C@@H]([N@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C(C)(C)C ZINC000140700682 1293852625 /nfs/dbraw/zinc/85/26/25/1293852625.db2.gz AOCLHQPBXQLGJD-CYBMUJFWSA-N 1 2 344.415 3.142 20 5 EGBDLO C[C@@H]([N@@H+](C)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)C(C)(C)C ZINC000140700682 1293852626 /nfs/dbraw/zinc/85/26/26/1293852626.db2.gz AOCLHQPBXQLGJD-CYBMUJFWSA-N 1 2 344.415 3.142 20 5 EGBDLO O=[N+]([O-])c1c(Br)cccc1NCCCCn1cc[nH+]c1 ZINC000312933009 1297120608 /nfs/dbraw/zinc/12/06/08/1297120608.db2.gz OFJNJMCRHDGAAF-UHFFFAOYSA-N 1 2 339.193 3.446 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(=O)NCc1cccs1 ZINC000876737339 1298948371 /nfs/dbraw/zinc/94/83/71/1298948371.db2.gz RVXASGVYVUMXEW-UHFFFAOYSA-N 1 2 347.440 3.021 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000876737339 1298948379 /nfs/dbraw/zinc/94/83/79/1298948379.db2.gz RVXASGVYVUMXEW-UHFFFAOYSA-N 1 2 347.440 3.021 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000748290761 1298976057 /nfs/dbraw/zinc/97/60/57/1298976057.db2.gz CMRPJELTJVYCKP-UHFFFAOYSA-N 1 2 343.309 3.085 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000748290761 1298976067 /nfs/dbraw/zinc/97/60/67/1298976067.db2.gz CMRPJELTJVYCKP-UHFFFAOYSA-N 1 2 343.309 3.085 20 5 EGBDLO CC(C)C[C@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000748787289 1299078642 /nfs/dbraw/zinc/07/86/42/1299078642.db2.gz FYFPWRHLCWQQQR-SNVBAGLBSA-N 1 2 331.214 3.022 20 5 EGBDLO CC(C)C[C@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000748787289 1299078652 /nfs/dbraw/zinc/07/86/52/1299078652.db2.gz FYFPWRHLCWQQQR-SNVBAGLBSA-N 1 2 331.214 3.022 20 5 EGBDLO Cn1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000756899854 1300585736 /nfs/dbraw/zinc/58/57/36/1300585736.db2.gz DJLSLQPYDAVOPW-UHFFFAOYSA-N 1 2 330.775 3.425 20 5 EGBDLO CC(C)(C)C1=CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000758358432 1300861181 /nfs/dbraw/zinc/86/11/81/1300861181.db2.gz OTOUPZUDSBYOFY-UHFFFAOYSA-N 1 2 341.415 3.489 20 5 EGBDLO CC(C)(C)C1=CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000758358432 1300861197 /nfs/dbraw/zinc/86/11/97/1300861197.db2.gz OTOUPZUDSBYOFY-UHFFFAOYSA-N 1 2 341.415 3.489 20 5 EGBDLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770007523 1303206299 /nfs/dbraw/zinc/20/62/99/1303206299.db2.gz PZINNTDKLFOQJU-UHFFFAOYSA-N 1 2 349.778 3.267 20 5 EGBDLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770007612 1303206312 /nfs/dbraw/zinc/20/63/12/1303206312.db2.gz IBSAYYWKCXJCAF-UHFFFAOYSA-N 1 2 337.767 3.047 20 5 EGBDLO COCC[N@H+](Cc1ccc(C)cc1C)Cc1cccnc1[N+](=O)[O-] ZINC000885969177 1303303789 /nfs/dbraw/zinc/30/37/89/1303303789.db2.gz MEAOCSRTXHYJCS-UHFFFAOYSA-N 1 2 329.400 3.255 20 5 EGBDLO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1cccnc1[N+](=O)[O-] ZINC000885969177 1303303795 /nfs/dbraw/zinc/30/37/95/1303303795.db2.gz MEAOCSRTXHYJCS-UHFFFAOYSA-N 1 2 329.400 3.255 20 5 EGBDLO O=C(CC[N@H+](CC(F)F)C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000887102636 1303676443 /nfs/dbraw/zinc/67/64/43/1303676443.db2.gz YUMCWHCBROQBAZ-UHFFFAOYSA-N 1 2 345.321 3.182 20 5 EGBDLO O=C(CC[N@@H+](CC(F)F)C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000887102636 1303676449 /nfs/dbraw/zinc/67/64/49/1303676449.db2.gz YUMCWHCBROQBAZ-UHFFFAOYSA-N 1 2 345.321 3.182 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000776594251 1304178044 /nfs/dbraw/zinc/17/80/44/1304178044.db2.gz ZTHHKZMMDBLJAK-LJQANCHMSA-N 1 2 337.379 3.168 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000776594251 1304178050 /nfs/dbraw/zinc/17/80/50/1304178050.db2.gz ZTHHKZMMDBLJAK-LJQANCHMSA-N 1 2 337.379 3.168 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000783565534 1305108824 /nfs/dbraw/zinc/10/88/24/1305108824.db2.gz BZGZSKOKRDVDDX-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1Cl ZINC000783565534 1305108826 /nfs/dbraw/zinc/10/88/26/1305108826.db2.gz BZGZSKOKRDVDDX-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000785679610 1305405551 /nfs/dbraw/zinc/40/55/51/1305405551.db2.gz VYNLPOPZVOKFFB-GFCCVEGCSA-N 1 2 338.323 3.094 20 5 EGBDLO COc1c(O)ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c1[N+](=O)[O-] ZINC000892621685 1305475377 /nfs/dbraw/zinc/47/53/77/1305475377.db2.gz LLQUSUWBXUQHLS-MFKMUULPSA-N 1 2 332.356 3.315 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000793238382 1309325836 /nfs/dbraw/zinc/32/58/36/1309325836.db2.gz NFLUZFAOXRIRMB-UHFFFAOYSA-N 1 2 349.412 3.228 20 5 EGBDLO CCCC[NH+](CCCC)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794621119 1309556597 /nfs/dbraw/zinc/55/65/97/1309556597.db2.gz UMUBKDKJCJFMRE-UHFFFAOYSA-N 1 2 348.403 3.271 20 5 EGBDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795672871 1309804322 /nfs/dbraw/zinc/80/43/22/1309804322.db2.gz BRAUBXDKNXCLJO-CJNGLKHVSA-N 1 2 330.388 3.231 20 5 EGBDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795672871 1309804327 /nfs/dbraw/zinc/80/43/27/1309804327.db2.gz BRAUBXDKNXCLJO-CJNGLKHVSA-N 1 2 330.388 3.231 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000896979350 1310116600 /nfs/dbraw/zinc/11/66/00/1310116600.db2.gz IQXXFXGUQLLTAY-BBRMVZONSA-N 1 2 342.399 3.131 20 5 EGBDLO CC1=C(Br)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797527719 1310207134 /nfs/dbraw/zinc/20/71/34/1310207134.db2.gz FZCFKMLYGWRLCS-AWEZNQCLSA-N 1 2 341.205 3.003 20 5 EGBDLO CC1=C(Br)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797527719 1310207136 /nfs/dbraw/zinc/20/71/36/1310207136.db2.gz FZCFKMLYGWRLCS-AWEZNQCLSA-N 1 2 341.205 3.003 20 5 EGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811734414 1318243643 /nfs/dbraw/zinc/24/36/43/1318243643.db2.gz DYPWQLHLFMZSGO-QGZVFWFLSA-N 1 2 345.443 3.410 20 5 EGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811734414 1318243650 /nfs/dbraw/zinc/24/36/50/1318243650.db2.gz DYPWQLHLFMZSGO-QGZVFWFLSA-N 1 2 345.443 3.410 20 5 EGBDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839527515 1320933421 /nfs/dbraw/zinc/93/34/21/1320933421.db2.gz LBPJHYAIIFAFQA-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839527515 1320933425 /nfs/dbraw/zinc/93/34/25/1320933425.db2.gz LBPJHYAIIFAFQA-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO CSCC(C)(C)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000851172998 1322344369 /nfs/dbraw/zinc/34/43/69/1322344369.db2.gz YAJUFQZKEGLVHD-UHFFFAOYSA-N 1 2 349.412 3.327 20 5 EGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC1=CCCOC1 ZINC000930996618 1329024263 /nfs/dbraw/zinc/02/42/63/1329024263.db2.gz DENBGWIYEZCURL-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC1=CCCOC1 ZINC000930996618 1329024265 /nfs/dbraw/zinc/02/42/65/1329024265.db2.gz DENBGWIYEZCURL-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852220279 1323165718 /nfs/dbraw/zinc/16/57/18/1323165718.db2.gz LLBUEJBAMSNBQR-ZETOZRRWSA-N 1 2 337.807 3.450 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852220279 1323165723 /nfs/dbraw/zinc/16/57/23/1323165723.db2.gz LLBUEJBAMSNBQR-ZETOZRRWSA-N 1 2 337.807 3.450 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000860044618 1329132787 /nfs/dbraw/zinc/13/27/87/1329132787.db2.gz LAUGQADDGRAZIV-BXUZGUMPSA-N 1 2 348.790 3.168 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1n1cc[nH+]c1 ZINC000860044621 1329133071 /nfs/dbraw/zinc/13/30/71/1329133071.db2.gz LAUGQADDGRAZIV-SMDDNHRTSA-N 1 2 348.790 3.168 20 5 EGBDLO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ncnn21 ZINC000926302027 1325509278 /nfs/dbraw/zinc/50/92/78/1325509278.db2.gz HSJPBEJMNICGQR-QPUJVOFHSA-N 1 2 341.293 3.001 20 5 EGBDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1CO ZINC000856798165 1325527813 /nfs/dbraw/zinc/52/78/13/1325527813.db2.gz PPYMEENVICTGQH-KOLCDFICSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1CO ZINC000856798165 1325527819 /nfs/dbraw/zinc/52/78/19/1325527819.db2.gz PPYMEENVICTGQH-KOLCDFICSA-N 1 2 333.215 3.352 20 5 EGBDLO CC(C)([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC001325493648 1387992167 /nfs/dbraw/zinc/99/21/67/1387992167.db2.gz GRFWMNOVAYBHNR-UHFFFAOYSA-N 1 2 337.383 3.200 20 5 EGBDLO Cc1nc(Nc2ccccc2[N+](=O)[O-])cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC001206144414 1370971265 /nfs/dbraw/zinc/97/12/65/1370971265.db2.gz KQRODXFRQDYCKS-RYUDHWBXSA-N 1 2 343.387 3.050 20 5 EGBDLO Cc1[nH+]c2ccc(N)cc2n1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211295568 1372523252 /nfs/dbraw/zinc/52/32/52/1372523252.db2.gz NOPZKJLRXURBDH-UHFFFAOYSA-N 1 2 327.300 3.041 20 5 EGBDLO Cc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001213666990 1372942077 /nfs/dbraw/zinc/94/20/77/1372942077.db2.gz GDAUAZKQWOAASF-UHFFFAOYSA-N 1 2 327.384 3.479 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001225620136 1375133100 /nfs/dbraw/zinc/13/31/00/1375133100.db2.gz NHZXBHXVJJOWFT-UHFFFAOYSA-N 1 2 342.395 3.386 20 5 EGBDLO C[NH+](C)CC[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001228972314 1375728807 /nfs/dbraw/zinc/72/88/07/1375728807.db2.gz VHQKTDZUPXXBGK-HNNXBMFYSA-N 1 2 332.356 3.078 20 5 EGBDLO Cc1ccc(N2CCC(Oc3cc([N+](=O)[O-])ccc3O)CC2)[nH+]c1 ZINC001229394957 1375827160 /nfs/dbraw/zinc/82/71/60/1375827160.db2.gz COBONBICEGECRI-UHFFFAOYSA-N 1 2 329.356 3.052 20 5 EGBDLO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3CCc4[nH+]ccn4C3)ccc12 ZINC001229513725 1375849884 /nfs/dbraw/zinc/84/98/84/1375849884.db2.gz CBNJNRKPPMNONU-CQSZACIVSA-N 1 2 348.358 3.242 20 5 EGBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001156775447 1380633261 /nfs/dbraw/zinc/63/32/61/1380633261.db2.gz HNLUAQAXGOTJGD-UHFFFAOYSA-N 1 2 343.774 3.465 20 5 EGBDLO COc1c(O)ccc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c1[N+](=O)[O-] ZINC001333741450 1390389485 /nfs/dbraw/zinc/38/94/85/1390389485.db2.gz QZRUCVDDBUXBPZ-ZDUSSCGKSA-N 1 2 349.412 3.315 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)c(Br)c1 ZINC000043600912 204286931 /nfs/dbraw/zinc/28/69/31/204286931.db2.gz FDTKJLFGPVYYOP-UHFFFAOYSA-N 1 2 325.166 3.056 20 5 EGBDLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130310863 205232252 /nfs/dbraw/zinc/23/22/52/205232252.db2.gz JZBZJXDIKDXHNP-OAHLLOKOSA-N 1 2 328.372 3.011 20 5 EGBDLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130310863 205232256 /nfs/dbraw/zinc/23/22/56/205232256.db2.gz JZBZJXDIKDXHNP-OAHLLOKOSA-N 1 2 328.372 3.011 20 5 EGBDLO COc1ccnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1OC ZINC000191062811 533057485 /nfs/dbraw/zinc/05/74/85/533057485.db2.gz OOQLQLKOVWWFMS-GFCCVEGCSA-N 1 2 331.372 3.166 20 5 EGBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]cc1C ZINC000153518772 224116601 /nfs/dbraw/zinc/11/66/01/224116601.db2.gz BBEDUFVOXNGVBG-UHFFFAOYSA-N 1 2 347.396 3.289 20 5 EGBDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000352965444 141279571 /nfs/dbraw/zinc/27/95/71/141279571.db2.gz YJVGSYOUKVTUFN-SFHVURJKSA-N 1 2 340.379 3.257 20 5 EGBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000352965444 141279575 /nfs/dbraw/zinc/27/95/75/141279575.db2.gz YJVGSYOUKVTUFN-SFHVURJKSA-N 1 2 340.379 3.257 20 5 EGBDLO Cc1[nH+]c(-c2ccncc2)nc(NCCc2cccc([N+](=O)[O-])c2)c1C ZINC000340082488 155091923 /nfs/dbraw/zinc/09/19/23/155091923.db2.gz YKBWFJPRBNWMTI-UHFFFAOYSA-N 1 2 349.394 3.140 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000341003070 155121866 /nfs/dbraw/zinc/12/18/66/155121866.db2.gz XLLPVWNSZOIWEM-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000341003070 155121868 /nfs/dbraw/zinc/12/18/68/155121868.db2.gz XLLPVWNSZOIWEM-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO O=C(NC1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000338642975 163302107 /nfs/dbraw/zinc/30/21/07/163302107.db2.gz DTFASVPCHTZQKY-UHFFFAOYSA-N 1 2 348.362 3.200 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000352349471 165356914 /nfs/dbraw/zinc/35/69/14/165356914.db2.gz DOZFXWVTSXXZAW-HNNXBMFYSA-N 1 2 336.351 3.196 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000355117612 166111074 /nfs/dbraw/zinc/11/10/74/166111074.db2.gz ZKFDUGNAVFTOEI-SNVBAGLBSA-N 1 2 333.413 3.399 20 5 EGBDLO Cc1cc(NC[C@@H](C)[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359883908 167257699 /nfs/dbraw/zinc/25/76/99/167257699.db2.gz VKRGSIVQZVTXCA-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)Cc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000366354234 168109836 /nfs/dbraw/zinc/10/98/36/168109836.db2.gz GUUVFGYKTZCYBG-UHFFFAOYSA-N 1 2 336.351 3.475 20 5 EGBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000179817988 265389479 /nfs/dbraw/zinc/38/94/79/265389479.db2.gz LWFQSXOONSQRJO-UHFFFAOYSA-N 1 2 332.356 3.223 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000179817988 265389482 /nfs/dbraw/zinc/38/94/82/265389482.db2.gz LWFQSXOONSQRJO-UHFFFAOYSA-N 1 2 332.356 3.223 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270277044 266492126 /nfs/dbraw/zinc/49/21/26/266492126.db2.gz LYBPIOZYYZSEEP-SNVBAGLBSA-N 1 2 343.305 3.116 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270277044 266492128 /nfs/dbraw/zinc/49/21/28/266492128.db2.gz LYBPIOZYYZSEEP-SNVBAGLBSA-N 1 2 343.305 3.116 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000274257849 267207029 /nfs/dbraw/zinc/20/70/29/267207029.db2.gz UPRODINDPPUOTA-CYBMUJFWSA-N 1 2 342.399 3.289 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000193802873 274124401 /nfs/dbraw/zinc/12/44/01/274124401.db2.gz OHZVEZZOECVPJR-UHFFFAOYSA-N 1 2 343.339 3.070 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000193802873 274124404 /nfs/dbraw/zinc/12/44/04/274124404.db2.gz OHZVEZZOECVPJR-UHFFFAOYSA-N 1 2 343.339 3.070 20 5 EGBDLO COc1cc(C(=O)OCc2c[nH+]ccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000286943759 276061277 /nfs/dbraw/zinc/06/12/77/276061277.db2.gz MHUJAIDIFBHQMK-UHFFFAOYSA-N 1 2 346.339 3.143 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000266457987 295254535 /nfs/dbraw/zinc/25/45/35/295254535.db2.gz YGYNZDLIAAXTJJ-UHFFFAOYSA-N 1 2 330.388 3.023 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCc3nnc(C4CC4)s3)c2c1 ZINC000413583870 309038482 /nfs/dbraw/zinc/03/84/82/309038482.db2.gz PPINKDIEHGWIRA-UHFFFAOYSA-N 1 2 327.369 3.484 20 5 EGBDLO O=C(Nc1cc(F)cc(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057858914 307347363 /nfs/dbraw/zinc/34/73/63/307347363.db2.gz JDMKXVCESYYRMY-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066849755 307363748 /nfs/dbraw/zinc/36/37/48/307363748.db2.gz MDSKOYHQARLEMK-GOSISDBHSA-N 1 2 348.349 3.489 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066849755 307363749 /nfs/dbraw/zinc/36/37/49/307363749.db2.gz MDSKOYHQARLEMK-GOSISDBHSA-N 1 2 348.349 3.489 20 5 EGBDLO CCOC(=O)c1csc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000292914555 308079687 /nfs/dbraw/zinc/07/96/87/308079687.db2.gz LBVOHVVOEFMZHI-NSHDSACASA-N 1 2 349.412 3.387 20 5 EGBDLO CCc1nocc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000293644828 308148905 /nfs/dbraw/zinc/14/89/05/308148905.db2.gz MMGDHVYKQAULSD-UHFFFAOYSA-N 1 2 341.314 3.379 20 5 EGBDLO CCc1nocc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000293644828 308148907 /nfs/dbraw/zinc/14/89/07/308148907.db2.gz MMGDHVYKQAULSD-UHFFFAOYSA-N 1 2 341.314 3.379 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000294405869 308218318 /nfs/dbraw/zinc/21/83/18/308218318.db2.gz MAMWNZJIDUSOIQ-UHFFFAOYSA-N 1 2 332.335 3.010 20 5 EGBDLO CCc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295360183 308318423 /nfs/dbraw/zinc/31/84/23/308318423.db2.gz CJURGJRILXDQFK-HNNXBMFYSA-N 1 2 342.399 3.114 20 5 EGBDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000296152355 308398865 /nfs/dbraw/zinc/39/88/65/308398865.db2.gz XQOUDXWTBIILNP-DZGCQCFKSA-N 1 2 342.399 3.028 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)c(OC(F)F)c1 ZINC000302053065 308727133 /nfs/dbraw/zinc/72/71/33/308727133.db2.gz PFEDZMSDHMMCRU-UHFFFAOYSA-N 1 2 348.309 3.499 20 5 EGBDLO CCN(CC)C(=O)N1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000330737182 308798239 /nfs/dbraw/zinc/79/82/39/308798239.db2.gz XRXDNQWBBRHTPT-OAHLLOKOSA-N 1 2 348.447 3.044 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](C4CCOCC4)C3)c2c1 ZINC000413201032 309021160 /nfs/dbraw/zinc/02/11/60/309021160.db2.gz KTHVEQTXOOHENQ-HNNXBMFYSA-N 1 2 327.384 3.396 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]([C@@H](CO)C3CC3)C3CC3)c2c1 ZINC000413310834 309026076 /nfs/dbraw/zinc/02/60/76/309026076.db2.gz DFFMPRPGDAMOLT-DLBZAZTESA-N 1 2 327.384 3.352 20 5 EGBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc(C)[nH+]1 ZINC000421577382 309330501 /nfs/dbraw/zinc/33/05/01/309330501.db2.gz FLXRIZRFQNZBJQ-UHFFFAOYSA-N 1 2 343.383 3.324 20 5 EGBDLO CO[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000440674709 309854428 /nfs/dbraw/zinc/85/44/28/309854428.db2.gz TVTRAYMJJFCEIU-CJNGLKHVSA-N 1 2 342.399 3.364 20 5 EGBDLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000444784263 309930083 /nfs/dbraw/zinc/93/00/83/309930083.db2.gz NDWMSVNTRFTIII-GFCCVEGCSA-N 1 2 342.321 3.420 20 5 EGBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(C)C ZINC000447814769 309989586 /nfs/dbraw/zinc/98/95/86/309989586.db2.gz BGPPELXYTPRYGD-HNNXBMFYSA-N 1 2 347.459 3.299 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000449570211 310072735 /nfs/dbraw/zinc/07/27/35/310072735.db2.gz AAOCWGWJCCZAMX-RBNVVWFDSA-N 1 2 336.457 3.231 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000449570211 310072736 /nfs/dbraw/zinc/07/27/36/310072736.db2.gz AAOCWGWJCCZAMX-RBNVVWFDSA-N 1 2 336.457 3.231 20 5 EGBDLO CC[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449995771 310098057 /nfs/dbraw/zinc/09/80/57/310098057.db2.gz XXSYPEWFXHYSRK-GOSISDBHSA-N 1 2 342.399 3.433 20 5 EGBDLO CC[C@@H](C)CN(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450047502 310100535 /nfs/dbraw/zinc/10/05/35/310100535.db2.gz VNKPJICNDOJYRI-CYBMUJFWSA-N 1 2 330.388 3.289 20 5 EGBDLO Cc1cc(C)c(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000454796170 310330012 /nfs/dbraw/zinc/33/00/12/310330012.db2.gz MFDAHGNZFVNQRY-UHFFFAOYSA-N 1 2 348.790 3.259 20 5 EGBDLO O=C(N[C@@H](C1CC1)C1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457215783 310443470 /nfs/dbraw/zinc/44/34/70/310443470.db2.gz DUWXYTCJNSDCIX-QGZVFWFLSA-N 1 2 340.383 3.089 20 5 EGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CCCCCC1 ZINC000490050666 311131398 /nfs/dbraw/zinc/13/13/98/311131398.db2.gz RDEHBJDINSHKEK-UHFFFAOYSA-N 1 2 345.443 3.398 20 5 EGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CCCCCC1 ZINC000490050666 311131399 /nfs/dbraw/zinc/13/13/99/311131399.db2.gz RDEHBJDINSHKEK-UHFFFAOYSA-N 1 2 345.443 3.398 20 5 EGBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCCNc1cccc[nH+]1 ZINC000491574942 311185360 /nfs/dbraw/zinc/18/53/60/311185360.db2.gz GUBCRRCBUQGIDR-FLIBITNWSA-N 1 2 340.383 3.012 20 5 EGBDLO COc1cc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c(F)cc1[N+](=O)[O-] ZINC000508238733 312091542 /nfs/dbraw/zinc/09/15/42/312091542.db2.gz HFJMLTRLNYKIIQ-UHFFFAOYSA-N 1 2 349.362 3.399 20 5 EGBDLO CCc1cc(N[C@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537673942 314202003 /nfs/dbraw/zinc/20/20/03/314202003.db2.gz VVCVLVQSLSIDHS-DOMZBBRYSA-N 1 2 342.399 3.016 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000540905731 314414624 /nfs/dbraw/zinc/41/46/24/314414624.db2.gz SXIOHHGHFBSNTL-UHFFFAOYSA-N 1 2 337.383 3.168 20 5 EGBDLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCc1cccc([N+](=O)[O-])c1 ZINC000171474240 323236714 /nfs/dbraw/zinc/23/67/14/323236714.db2.gz SHYPMUHUSITPNK-RMKNXTFCSA-N 1 2 348.362 3.110 20 5 EGBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(Cl)c1Cl ZINC000341846011 456969598 /nfs/dbraw/zinc/96/95/98/456969598.db2.gz VTGGVWZGVVYWLZ-QMMMGPOBSA-N 1 2 329.187 3.486 20 5 EGBDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000015295960 453565412 /nfs/dbraw/zinc/56/54/12/453565412.db2.gz YQVSIZQZDMHQEW-UHFFFAOYSA-N 1 2 349.337 3.334 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000015295960 453565415 /nfs/dbraw/zinc/56/54/15/453565415.db2.gz YQVSIZQZDMHQEW-UHFFFAOYSA-N 1 2 349.337 3.334 20 5 EGBDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348441 453797761 /nfs/dbraw/zinc/79/77/61/453797761.db2.gz FACWCJUKPOLYBY-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348441 453797762 /nfs/dbraw/zinc/79/77/62/453797762.db2.gz FACWCJUKPOLYBY-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)cc1 ZINC000066372981 453839976 /nfs/dbraw/zinc/83/99/76/453839976.db2.gz SUPLBBZANOMCKT-GOSISDBHSA-N 1 2 345.374 3.219 20 5 EGBDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000053125068 453859972 /nfs/dbraw/zinc/85/99/72/453859972.db2.gz UITJTAORLHURQK-CYBMUJFWSA-N 1 2 345.374 3.390 20 5 EGBDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000053125068 453859975 /nfs/dbraw/zinc/85/99/75/453859975.db2.gz UITJTAORLHURQK-CYBMUJFWSA-N 1 2 345.374 3.390 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000044724879 454116542 /nfs/dbraw/zinc/11/65/42/454116542.db2.gz LDTRIMCOFZSSKT-SFHVURJKSA-N 1 2 327.384 3.080 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000119594679 454206522 /nfs/dbraw/zinc/20/65/22/454206522.db2.gz PZNNNGAPOMVDLW-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000119594679 454206526 /nfs/dbraw/zinc/20/65/26/454206526.db2.gz PZNNNGAPOMVDLW-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO Cc1ccc([C@@H](CNc2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000071968829 454262436 /nfs/dbraw/zinc/26/24/36/454262436.db2.gz GVHVBUUUKUXXML-LJQANCHMSA-N 1 2 341.411 3.389 20 5 EGBDLO OCCOCCSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000078700696 454301378 /nfs/dbraw/zinc/30/13/78/454301378.db2.gz OVIJOLASJILCKR-UHFFFAOYSA-N 1 2 339.420 3.137 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802311 454342949 /nfs/dbraw/zinc/34/29/49/454342949.db2.gz KMTKHTGSWMMNCQ-UHFFFAOYSA-N 1 2 345.321 3.116 20 5 EGBDLO C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000062927262 454389327 /nfs/dbraw/zinc/38/93/27/454389327.db2.gz OQAZBTYAXWOLLY-ZDUSSCGKSA-N 1 2 328.372 3.043 20 5 EGBDLO Cc1cc(N2CCN(c3ccsc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000063256683 454399362 /nfs/dbraw/zinc/39/93/62/454399362.db2.gz OUZVWJFHFSLVDP-UHFFFAOYSA-N 1 2 347.444 3.205 20 5 EGBDLO Cc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000063263385 454400232 /nfs/dbraw/zinc/40/02/32/454400232.db2.gz FFLMTOJCPWFESW-MRXNPFEDSA-N 1 2 347.440 3.450 20 5 EGBDLO COc1ccc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000103966968 454571407 /nfs/dbraw/zinc/57/14/07/454571407.db2.gz MFGPXQVHYHVXRW-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080542364 454596322 /nfs/dbraw/zinc/59/63/22/454596322.db2.gz SZNGNMWZENXGFC-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000092670516 454606238 /nfs/dbraw/zinc/60/62/38/454606238.db2.gz KQEVGBIBJJLZPC-UHFFFAOYSA-N 1 2 328.368 3.418 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000092670516 454606240 /nfs/dbraw/zinc/60/62/40/454606240.db2.gz KQEVGBIBJJLZPC-UHFFFAOYSA-N 1 2 328.368 3.418 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3csc(C4CC4)n3)C2)nc1 ZINC000136402397 454740869 /nfs/dbraw/zinc/74/08/69/454740869.db2.gz IWHQEVFIXZBEDP-GFCCVEGCSA-N 1 2 345.428 3.010 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3csc(C4CC4)n3)C2)nc1 ZINC000136402397 454740872 /nfs/dbraw/zinc/74/08/72/454740872.db2.gz IWHQEVFIXZBEDP-GFCCVEGCSA-N 1 2 345.428 3.010 20 5 EGBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162703569 454794341 /nfs/dbraw/zinc/79/43/41/454794341.db2.gz GTFSYSZDSXYORI-UHFFFAOYSA-N 1 2 337.339 3.036 20 5 EGBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163498502 454852014 /nfs/dbraw/zinc/85/20/14/454852014.db2.gz UHANVUJGVSZDDH-OAHLLOKOSA-N 1 2 339.823 3.081 20 5 EGBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163498502 454852016 /nfs/dbraw/zinc/85/20/16/454852016.db2.gz UHANVUJGVSZDDH-OAHLLOKOSA-N 1 2 339.823 3.081 20 5 EGBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000170914577 454998295 /nfs/dbraw/zinc/99/82/95/454998295.db2.gz NYDXNOJKXYEJTR-UHFFFAOYSA-N 1 2 332.404 3.138 20 5 EGBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000170914577 454998298 /nfs/dbraw/zinc/99/82/98/454998298.db2.gz NYDXNOJKXYEJTR-UHFFFAOYSA-N 1 2 332.404 3.138 20 5 EGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(F)cc1 ZINC000155722812 455037018 /nfs/dbraw/zinc/03/70/18/455037018.db2.gz PZHPSKCXJAXLHV-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccc(F)cc1 ZINC000155722812 455037022 /nfs/dbraw/zinc/03/70/22/455037022.db2.gz PZHPSKCXJAXLHV-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO COc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000159915598 455415566 /nfs/dbraw/zinc/41/55/66/455415566.db2.gz ZIGJWXNYPCVFBS-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO Cc1cc(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000266835594 455460039 /nfs/dbraw/zinc/46/00/39/455460039.db2.gz JOKUYHLBMKQXJY-CHWSQXEVSA-N 1 2 343.387 3.050 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000192256907 455582879 /nfs/dbraw/zinc/58/28/79/455582879.db2.gz XWZFERMINPSSFZ-UHFFFAOYSA-N 1 2 344.415 3.215 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)cc1 ZINC000292295737 455621646 /nfs/dbraw/zinc/62/16/46/455621646.db2.gz VLKPOROYKMQGQS-MRXNPFEDSA-N 1 2 329.404 3.167 20 5 EGBDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635165 455658371 /nfs/dbraw/zinc/65/83/71/455658371.db2.gz IOFFIUWXTWYEGZ-IIAWOOMASA-N 1 2 333.432 3.110 20 5 EGBDLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635165 455658376 /nfs/dbraw/zinc/65/83/76/455658376.db2.gz IOFFIUWXTWYEGZ-IIAWOOMASA-N 1 2 333.432 3.110 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000195506827 455972541 /nfs/dbraw/zinc/97/25/41/455972541.db2.gz HVYDQLCRGQUOED-LBPRGKRZSA-N 1 2 333.348 3.125 20 5 EGBDLO O=C(CC1CCCCC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332533504 456088374 /nfs/dbraw/zinc/08/83/74/456088374.db2.gz RUODGSUUZHGHOD-UHFFFAOYSA-N 1 2 345.443 3.209 20 5 EGBDLO Nc1nc(Nc2cccc([NH+]3CCCCCC3)c2)ncc1[N+](=O)[O-] ZINC000301369682 456100858 /nfs/dbraw/zinc/10/08/58/456100858.db2.gz SEKVECANZWMGFQ-UHFFFAOYSA-N 1 2 328.376 3.091 20 5 EGBDLO Cc1ccc(CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c[nH+]1 ZINC000301591687 456154289 /nfs/dbraw/zinc/15/42/89/456154289.db2.gz UEDRCDHJPPDQAC-UHFFFAOYSA-N 1 2 342.399 3.091 20 5 EGBDLO CCOc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000301621107 456164771 /nfs/dbraw/zinc/16/47/71/456164771.db2.gz DAHIHFFOOPGKLW-HNNXBMFYSA-N 1 2 329.356 3.046 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263664066 456185172 /nfs/dbraw/zinc/18/51/72/456185172.db2.gz GPROWJIIZPWEMB-UHFFFAOYSA-N 1 2 349.778 3.383 20 5 EGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1(F)F ZINC000289985662 456205940 /nfs/dbraw/zinc/20/59/40/456205940.db2.gz XYZHZGNHNGUQJO-SECBINFHSA-N 1 2 347.749 3.164 20 5 EGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1(F)F ZINC000289985662 456205944 /nfs/dbraw/zinc/20/59/44/456205944.db2.gz XYZHZGNHNGUQJO-SECBINFHSA-N 1 2 347.749 3.164 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCN(c4cccc[nH+]4)C3)ccc2c1 ZINC000301777643 456211824 /nfs/dbraw/zinc/21/18/24/456211824.db2.gz PLLJUQRHXVMUHG-CQSZACIVSA-N 1 2 335.367 3.229 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000342867475 456283196 /nfs/dbraw/zinc/28/31/96/456283196.db2.gz BVJWYOHZTQFREU-RYUDHWBXSA-N 1 2 331.338 3.224 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000342867475 456283200 /nfs/dbraw/zinc/28/32/00/456283200.db2.gz BVJWYOHZTQFREU-RYUDHWBXSA-N 1 2 331.338 3.224 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340193392 456306033 /nfs/dbraw/zinc/30/60/33/456306033.db2.gz WBQIQDADQVANDN-STQMWFEESA-N 1 2 336.285 3.012 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340193392 456306034 /nfs/dbraw/zinc/30/60/34/456306034.db2.gz WBQIQDADQVANDN-STQMWFEESA-N 1 2 336.285 3.012 20 5 EGBDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000348073052 456456994 /nfs/dbraw/zinc/45/69/94/456456994.db2.gz KPWVFZXHBRLBQV-LBPRGKRZSA-N 1 2 338.367 3.174 20 5 EGBDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000348073052 456457002 /nfs/dbraw/zinc/45/70/02/456457002.db2.gz KPWVFZXHBRLBQV-LBPRGKRZSA-N 1 2 338.367 3.174 20 5 EGBDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cs1 ZINC000348323580 456623061 /nfs/dbraw/zinc/62/30/61/456623061.db2.gz XNQMXGCZWHRLRC-NSHDSACASA-N 1 2 348.428 3.211 20 5 EGBDLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283027179 456694385 /nfs/dbraw/zinc/69/43/85/456694385.db2.gz HIMLAFWOOZWYOZ-CMPLNLGQSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283027179 456694388 /nfs/dbraw/zinc/69/43/88/456694388.db2.gz HIMLAFWOOZWYOZ-CMPLNLGQSA-N 1 2 343.221 3.093 20 5 EGBDLO Cn1c(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000340924658 456763657 /nfs/dbraw/zinc/76/36/57/456763657.db2.gz OOIFBVAKHFVAEQ-UHFFFAOYSA-N 1 2 339.355 3.329 20 5 EGBDLO Cc1ccccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000349565292 456988484 /nfs/dbraw/zinc/98/84/84/456988484.db2.gz NNEVWQFDHQDHCV-UHFFFAOYSA-N 1 2 341.411 3.348 20 5 EGBDLO CCOc1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000356532910 457040012 /nfs/dbraw/zinc/04/00/12/457040012.db2.gz UEZXYYQZWCBODI-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO CCOc1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000356532910 457040019 /nfs/dbraw/zinc/04/00/19/457040019.db2.gz UEZXYYQZWCBODI-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000342154211 457138419 /nfs/dbraw/zinc/13/84/19/457138419.db2.gz MMKFJTIKOZHZQG-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO Cc1cscc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000362914738 457154081 /nfs/dbraw/zinc/15/40/81/457154081.db2.gz VUXJFVPUTPDRFJ-UHFFFAOYSA-N 1 2 342.380 3.080 20 5 EGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000332019394 457290454 /nfs/dbraw/zinc/29/04/54/457290454.db2.gz FUUFSTSYYXHCHG-HNNXBMFYSA-N 1 2 333.388 3.036 20 5 EGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000332019394 457290456 /nfs/dbraw/zinc/29/04/56/457290456.db2.gz FUUFSTSYYXHCHG-HNNXBMFYSA-N 1 2 333.388 3.036 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354703254 457312855 /nfs/dbraw/zinc/31/28/55/457312855.db2.gz JVMKEAUZFREEIS-MSOLQXFVSA-N 1 2 332.400 3.137 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354703254 457312863 /nfs/dbraw/zinc/31/28/63/457312863.db2.gz JVMKEAUZFREEIS-MSOLQXFVSA-N 1 2 332.400 3.137 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570284 457473172 /nfs/dbraw/zinc/47/31/72/457473172.db2.gz FPKYAQFPBKGPST-CYBMUJFWSA-N 1 2 341.367 3.304 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000352570284 457473178 /nfs/dbraw/zinc/47/31/78/457473178.db2.gz FPKYAQFPBKGPST-CYBMUJFWSA-N 1 2 341.367 3.304 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570285 457474324 /nfs/dbraw/zinc/47/43/24/457474324.db2.gz FPKYAQFPBKGPST-ZDUSSCGKSA-N 1 2 341.367 3.304 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000352570285 457474330 /nfs/dbraw/zinc/47/43/30/457474330.db2.gz FPKYAQFPBKGPST-ZDUSSCGKSA-N 1 2 341.367 3.304 20 5 EGBDLO CC[N@H+](Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)C1CC1 ZINC000357403863 457498994 /nfs/dbraw/zinc/49/89/94/457498994.db2.gz VIYUDUGPFIKKEI-UHFFFAOYSA-N 1 2 341.371 3.034 20 5 EGBDLO CC[N@@H+](Cc1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)C1CC1 ZINC000357403863 457499003 /nfs/dbraw/zinc/49/90/03/457499003.db2.gz VIYUDUGPFIKKEI-UHFFFAOYSA-N 1 2 341.371 3.034 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOc1cccc(F)c1)CCO2 ZINC000352677318 457522989 /nfs/dbraw/zinc/52/29/89/457522989.db2.gz KLJIXPDFUMPVGU-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOc1cccc(F)c1)CCO2 ZINC000352677318 457522996 /nfs/dbraw/zinc/52/29/96/457522996.db2.gz KLJIXPDFUMPVGU-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN(c1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC000342803326 457534643 /nfs/dbraw/zinc/53/46/43/457534643.db2.gz XGDJZHBEDCQWFR-UHFFFAOYSA-N 1 2 339.399 3.154 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN(c1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC000342803326 457534651 /nfs/dbraw/zinc/53/46/51/457534651.db2.gz XGDJZHBEDCQWFR-UHFFFAOYSA-N 1 2 339.399 3.154 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000364242807 457542727 /nfs/dbraw/zinc/54/27/27/457542727.db2.gz BQKFUZMQVXIDOC-UHFFFAOYSA-N 1 2 348.353 3.286 20 5 EGBDLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1F ZINC000352740293 457572966 /nfs/dbraw/zinc/57/29/66/457572966.db2.gz RTAAKEWLOISXOT-UHFFFAOYSA-N 1 2 332.331 3.485 20 5 EGBDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])cc1F ZINC000352740293 457572971 /nfs/dbraw/zinc/57/29/71/457572971.db2.gz RTAAKEWLOISXOT-UHFFFAOYSA-N 1 2 332.331 3.485 20 5 EGBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000370204726 457583944 /nfs/dbraw/zinc/58/39/44/457583944.db2.gz SQGRWVUZHAIWGG-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000370204726 457583950 /nfs/dbraw/zinc/58/39/50/457583950.db2.gz SQGRWVUZHAIWGG-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000361400396 457719292 /nfs/dbraw/zinc/71/92/92/457719292.db2.gz OKUYBLKYPKJXQK-KRWDZBQOSA-N 1 2 326.352 3.408 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]2c2ccccc2)c2c(c1)COCO2 ZINC000361400396 457719294 /nfs/dbraw/zinc/71/92/94/457719294.db2.gz OKUYBLKYPKJXQK-KRWDZBQOSA-N 1 2 326.352 3.408 20 5 EGBDLO Cc1c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])nnn1-c1ccccc1 ZINC000358004146 457736985 /nfs/dbraw/zinc/73/69/85/457736985.db2.gz KMMVHBNZAMCFGE-CYBMUJFWSA-N 1 2 337.383 3.335 20 5 EGBDLO Cc1c[nH+]cc(CCc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c1 ZINC000426408526 457824938 /nfs/dbraw/zinc/82/49/38/457824938.db2.gz AYFUOSDRMHVPOV-UHFFFAOYSA-N 1 2 338.367 3.366 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC1CC1)C1CCC1 ZINC000358427736 457998989 /nfs/dbraw/zinc/99/89/89/457998989.db2.gz OIFYTSMSQXPLFI-UHFFFAOYSA-N 1 2 340.383 3.185 20 5 EGBDLO CCN(C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000446726922 458218273 /nfs/dbraw/zinc/21/82/73/458218273.db2.gz SELYFODOJMKJJH-UHFFFAOYSA-N 1 2 345.443 3.134 20 5 EGBDLO CCN(C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000446726922 458218280 /nfs/dbraw/zinc/21/82/80/458218280.db2.gz SELYFODOJMKJJH-UHFFFAOYSA-N 1 2 345.443 3.134 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369548768 458261932 /nfs/dbraw/zinc/26/19/32/458261932.db2.gz GTLBDPQCCIXODS-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369548768 458261934 /nfs/dbraw/zinc/26/19/34/458261934.db2.gz GTLBDPQCCIXODS-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccn(C)n1 ZINC000459797429 458481167 /nfs/dbraw/zinc/48/11/67/458481167.db2.gz SCVBVPXFYRJJJK-VIFPVBQESA-N 1 2 328.294 3.198 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493644653 458521611 /nfs/dbraw/zinc/52/16/11/458521611.db2.gz NWEZVJMUOVAHIK-XOIDGJRKSA-N 1 2 348.790 3.355 20 5 EGBDLO CC(C)C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000438390255 458573291 /nfs/dbraw/zinc/57/32/91/458573291.db2.gz HNRVVSGWIHRURU-UHFFFAOYSA-N 1 2 330.388 3.193 20 5 EGBDLO CCC[N@H+](CC(=O)OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000471814014 458736351 /nfs/dbraw/zinc/73/63/51/458736351.db2.gz ADABURHJMOUSQJ-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000471814014 458736353 /nfs/dbraw/zinc/73/63/53/458736353.db2.gz ADABURHJMOUSQJ-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000464844114 458782906 /nfs/dbraw/zinc/78/29/06/458782906.db2.gz DMTMZLKJBHMUIE-CRAIPNDOSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000464844114 458782910 /nfs/dbraw/zinc/78/29/10/458782910.db2.gz DMTMZLKJBHMUIE-CRAIPNDOSA-N 1 2 342.395 3.436 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456867917 458805983 /nfs/dbraw/zinc/80/59/83/458805983.db2.gz WMWUIYMIKMNUPI-UHFFFAOYSA-N 1 2 343.383 3.000 20 5 EGBDLO CC(C)Oc1nc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000518216431 458850173 /nfs/dbraw/zinc/85/01/73/458850173.db2.gz KJLGALVNQLROTM-CQSZACIVSA-N 1 2 345.403 3.098 20 5 EGBDLO C[C@@H](N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000590620231 459164696 /nfs/dbraw/zinc/16/46/96/459164696.db2.gz HZNPANUUBDPDOY-GFCCVEGCSA-N 1 2 330.388 3.287 20 5 EGBDLO COc1cccc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000595291502 459267892 /nfs/dbraw/zinc/26/78/92/459267892.db2.gz ZKQSRUGWGXHZRM-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO Cc1noc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595330406 459278575 /nfs/dbraw/zinc/27/85/75/459278575.db2.gz ATCTYGKVLPDGMM-BQBZGAKWSA-N 1 2 347.215 3.064 20 5 EGBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000595414196 459294063 /nfs/dbraw/zinc/29/40/63/459294063.db2.gz BHGJMMPXXXRRFC-MRVPVSSYSA-N 1 2 327.287 3.343 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000562385058 459551322 /nfs/dbraw/zinc/55/13/22/459551322.db2.gz BTOMJFLMBRPRFF-CYBMUJFWSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000562385058 459551329 /nfs/dbraw/zinc/55/13/29/459551329.db2.gz BTOMJFLMBRPRFF-CYBMUJFWSA-N 1 2 348.321 3.147 20 5 EGBDLO COC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000527239164 459613160 /nfs/dbraw/zinc/61/31/60/459613160.db2.gz OHNHRTJVTWKRJS-UHFFFAOYSA-N 1 2 346.408 3.461 20 5 EGBDLO COC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000527239164 459613167 /nfs/dbraw/zinc/61/31/67/459613167.db2.gz OHNHRTJVTWKRJS-UHFFFAOYSA-N 1 2 346.408 3.461 20 5 EGBDLO COC(=O)[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000584176513 459674608 /nfs/dbraw/zinc/67/46/08/459674608.db2.gz LBTRUSFKAZTHPG-CYBMUJFWSA-N 1 2 329.356 3.144 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000597253443 459896471 /nfs/dbraw/zinc/89/64/71/459896471.db2.gz CZWNIXRAGSGOFO-YRNVUSSQSA-N 1 2 349.341 3.043 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000597253443 459896476 /nfs/dbraw/zinc/89/64/76/459896476.db2.gz CZWNIXRAGSGOFO-YRNVUSSQSA-N 1 2 349.341 3.043 20 5 EGBDLO C[N@H+](Cc1cnccn1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602450856 459945421 /nfs/dbraw/zinc/94/54/21/459945421.db2.gz KYJXRLXFPNQCRG-UHFFFAOYSA-N 1 2 326.278 3.036 20 5 EGBDLO C[N@@H+](Cc1cnccn1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602450856 459945426 /nfs/dbraw/zinc/94/54/26/459945426.db2.gz KYJXRLXFPNQCRG-UHFFFAOYSA-N 1 2 326.278 3.036 20 5 EGBDLO CC1(c2ccccc2)C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598676475 459988304 /nfs/dbraw/zinc/98/83/04/459988304.db2.gz IOFRRCBJVFEGTJ-UHFFFAOYSA-N 1 2 340.379 3.140 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(CNc3ccc(N4CCCC4)[nH+]c3)nc2c1 ZINC000602575685 460004507 /nfs/dbraw/zinc/00/45/07/460004507.db2.gz WOHLPGVBLWNVFO-UHFFFAOYSA-N 1 2 339.355 3.343 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnnn2-c2ccccc2)C2CC2)cc1 ZINC000588963210 460012132 /nfs/dbraw/zinc/01/21/32/460012132.db2.gz IUFPZYJVFUDRJC-UHFFFAOYSA-N 1 2 349.394 3.340 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnnn2-c2ccccc2)C2CC2)cc1 ZINC000588963210 460012136 /nfs/dbraw/zinc/01/21/36/460012136.db2.gz IUFPZYJVFUDRJC-UHFFFAOYSA-N 1 2 349.394 3.340 20 5 EGBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000602661774 460049960 /nfs/dbraw/zinc/04/99/60/460049960.db2.gz LPZZEHXNRFLFPR-MRVPVSSYSA-N 1 2 335.223 3.030 20 5 EGBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000602661774 460049966 /nfs/dbraw/zinc/04/99/66/460049966.db2.gz LPZZEHXNRFLFPR-MRVPVSSYSA-N 1 2 335.223 3.030 20 5 EGBDLO CCOC[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000598895016 460088150 /nfs/dbraw/zinc/08/81/50/460088150.db2.gz OFRWTKNZBDLVHS-SECBINFHSA-N 1 2 349.250 3.277 20 5 EGBDLO CCOC[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000598895016 460088158 /nfs/dbraw/zinc/08/81/58/460088158.db2.gz OFRWTKNZBDLVHS-SECBINFHSA-N 1 2 349.250 3.277 20 5 EGBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160415 460072597 /nfs/dbraw/zinc/07/25/97/460072597.db2.gz MPKQMSNJHVCPNI-HIFRSBDPSA-N 1 2 347.440 3.358 20 5 EGBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160415 460072601 /nfs/dbraw/zinc/07/26/01/460072601.db2.gz MPKQMSNJHVCPNI-HIFRSBDPSA-N 1 2 347.440 3.358 20 5 EGBDLO O=[N+]([O-])c1c(NCCc2cn3c(n2)SCC3)ccc2c[nH+]ccc21 ZINC000599067436 460149608 /nfs/dbraw/zinc/14/96/08/460149608.db2.gz DPCYHRHDELDBAW-UHFFFAOYSA-N 1 2 341.396 3.100 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599511889 460265403 /nfs/dbraw/zinc/26/54/03/460265403.db2.gz CTYIAKMYBDZZIR-IJLUTSLNSA-N 1 2 341.358 3.145 20 5 EGBDLO CC1CCC(C)(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000342423114 517524519 /nfs/dbraw/zinc/52/45/19/517524519.db2.gz JNKOPMCLQMVXMC-UHFFFAOYSA-N 1 2 342.399 3.479 20 5 EGBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000731669924 575195795 /nfs/dbraw/zinc/19/57/95/575195795.db2.gz OAAXAJXKTMVKGG-CYBMUJFWSA-N 1 2 335.404 3.036 20 5 EGBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000731669924 575195797 /nfs/dbraw/zinc/19/57/97/575195797.db2.gz OAAXAJXKTMVKGG-CYBMUJFWSA-N 1 2 335.404 3.036 20 5 EGBDLO Cc1cccn2cc(CC(=O)OCc3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000732359030 575262403 /nfs/dbraw/zinc/26/24/03/575262403.db2.gz YWDBITBTIYKEEO-UHFFFAOYSA-N 1 2 339.351 3.145 20 5 EGBDLO CC(C)C[C@H]1COCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000733790596 575390109 /nfs/dbraw/zinc/39/01/09/575390109.db2.gz NWZRIUIJATYBRW-SFHVURJKSA-N 1 2 344.415 3.163 20 5 EGBDLO CC(C)C[C@H]1COCC[N@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000733790596 575390113 /nfs/dbraw/zinc/39/01/13/575390113.db2.gz NWZRIUIJATYBRW-SFHVURJKSA-N 1 2 344.415 3.163 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1occc1Br ZINC000735322869 575643629 /nfs/dbraw/zinc/64/36/29/575643629.db2.gz OEEHRTVOIQFYGR-UHFFFAOYSA-N 1 2 341.161 3.249 20 5 EGBDLO Cc1cccc(C[N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000742146204 576751574 /nfs/dbraw/zinc/75/15/74/576751574.db2.gz KFBQWBBKKCBNRC-UHFFFAOYSA-N 1 2 337.383 3.251 20 5 EGBDLO Cc1cccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)c1 ZINC000742146204 576751576 /nfs/dbraw/zinc/75/15/76/576751576.db2.gz KFBQWBBKKCBNRC-UHFFFAOYSA-N 1 2 337.383 3.251 20 5 EGBDLO CS[C@H](C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835381898 1293278381 /nfs/dbraw/zinc/27/83/81/1293278381.db2.gz HEVPDJBCFZUDJH-GHMZBOCLSA-N 1 2 335.385 3.077 20 5 EGBDLO O=C(Nc1cccc(Cl)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177487898 1294673843 /nfs/dbraw/zinc/67/38/43/1294673843.db2.gz ZKLCTICLNLAPPP-UHFFFAOYSA-N 1 2 343.730 3.081 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000872062426 1296708749 /nfs/dbraw/zinc/70/87/49/1296708749.db2.gz MTGYVKKUNFEUIR-LLVKDONJSA-N 1 2 347.444 3.095 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c1 ZINC000877645477 1299453357 /nfs/dbraw/zinc/45/33/57/1299453357.db2.gz MLGSEBZDFKAQDC-INIZCTEOSA-N 1 2 347.802 3.434 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](OCc3ccccn3)C2)c1 ZINC000877645477 1299453362 /nfs/dbraw/zinc/45/33/62/1299453362.db2.gz MLGSEBZDFKAQDC-INIZCTEOSA-N 1 2 347.802 3.434 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2cc(NCC3CC3)[nH+]cn2)c1 ZINC000758036723 1300775293 /nfs/dbraw/zinc/77/52/93/1300775293.db2.gz KQUDBDRXRGNTEH-UHFFFAOYSA-N 1 2 333.779 3.472 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2cc(NCC3CC3)nc[nH+]2)c1 ZINC000758036723 1300775297 /nfs/dbraw/zinc/77/52/97/1300775297.db2.gz KQUDBDRXRGNTEH-UHFFFAOYSA-N 1 2 333.779 3.472 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CF)C1 ZINC000880232752 1300995340 /nfs/dbraw/zinc/99/53/40/1300995340.db2.gz FJQFOGDAGWPSHC-WDEREUQCSA-N 1 2 343.786 3.257 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CF)C1 ZINC000880232752 1300995348 /nfs/dbraw/zinc/99/53/48/1300995348.db2.gz FJQFOGDAGWPSHC-WDEREUQCSA-N 1 2 343.786 3.257 20 5 EGBDLO CC(C)CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000760397976 1301265180 /nfs/dbraw/zinc/26/51/80/1301265180.db2.gz FMQQSILYRVFVLV-UHFFFAOYSA-N 1 2 333.388 3.218 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761047500 1301388441 /nfs/dbraw/zinc/38/84/41/1301388441.db2.gz VMSGISFUUULERL-QWRGUYRKSA-N 1 2 345.321 3.114 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761047500 1301388450 /nfs/dbraw/zinc/38/84/50/1301388450.db2.gz VMSGISFUUULERL-QWRGUYRKSA-N 1 2 345.321 3.114 20 5 EGBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000769532342 1303136247 /nfs/dbraw/zinc/13/62/47/1303136247.db2.gz JIXLMNRSURVEDR-CYBMUJFWSA-N 1 2 345.237 3.196 20 5 EGBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000769532342 1303136252 /nfs/dbraw/zinc/13/62/52/1303136252.db2.gz JIXLMNRSURVEDR-CYBMUJFWSA-N 1 2 345.237 3.196 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000773043231 1303613426 /nfs/dbraw/zinc/61/34/26/1303613426.db2.gz MUVVVXMJPRJVPL-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO Cc1nn(C[NH+]2CCC(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000779858774 1304615739 /nfs/dbraw/zinc/61/57/39/1304615739.db2.gz BFGAHFHYALSRNF-UHFFFAOYSA-N 1 2 328.416 3.402 20 5 EGBDLO CC(C)(C)c1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000787585424 1305761431 /nfs/dbraw/zinc/76/14/31/1305761431.db2.gz NWHDOIYSQTZBKF-UHFFFAOYSA-N 1 2 329.356 3.227 20 5 EGBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000791265137 1308943129 /nfs/dbraw/zinc/94/31/29/1308943129.db2.gz BOAXDRATGXGYLW-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(C)noc1C ZINC000792876154 1309250658 /nfs/dbraw/zinc/25/06/58/1309250658.db2.gz LVXLPVYAURQHRN-ZDUSSCGKSA-N 1 2 334.332 3.349 20 5 EGBDLO CN(C)c1cc[nH+]c(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000895470969 1309354742 /nfs/dbraw/zinc/35/47/42/1309354742.db2.gz DTSGIRHYTTWMBS-UHFFFAOYSA-N 1 2 341.293 3.082 20 5 EGBDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795677213 1309805618 /nfs/dbraw/zinc/80/56/18/1309805618.db2.gz XFUSMQOMOAAGIS-HIFRSBDPSA-N 1 2 330.388 3.231 20 5 EGBDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795677213 1309805624 /nfs/dbraw/zinc/80/56/24/1309805624.db2.gz XFUSMQOMOAAGIS-HIFRSBDPSA-N 1 2 330.388 3.231 20 5 EGBDLO CC1=C(Br)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797527723 1310207327 /nfs/dbraw/zinc/20/73/27/1310207327.db2.gz FZCFKMLYGWRLCS-CQSZACIVSA-N 1 2 341.205 3.003 20 5 EGBDLO CC1=C(Br)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797527723 1310207334 /nfs/dbraw/zinc/20/73/34/1310207334.db2.gz FZCFKMLYGWRLCS-CQSZACIVSA-N 1 2 341.205 3.003 20 5 EGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000809344096 1317800705 /nfs/dbraw/zinc/80/07/05/1317800705.db2.gz SRIWNUSVQHMHHH-UHFFFAOYSA-N 1 2 348.353 3.250 20 5 EGBDLO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000905853123 1318006702 /nfs/dbraw/zinc/00/67/02/1318006702.db2.gz PWTWCHYNUKVETJ-ACJLOTCBSA-N 1 2 339.395 3.265 20 5 EGBDLO CCc1occc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170085 1318509943 /nfs/dbraw/zinc/50/99/43/1318509943.db2.gz GCNYTVJVCMBTKI-HNNXBMFYSA-N 1 2 344.367 3.182 20 5 EGBDLO CCc1occc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170085 1318509953 /nfs/dbraw/zinc/50/99/53/1318509953.db2.gz GCNYTVJVCMBTKI-HNNXBMFYSA-N 1 2 344.367 3.182 20 5 EGBDLO C[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616129 1319028585 /nfs/dbraw/zinc/02/85/85/1319028585.db2.gz GUKADPCTECFQMD-AMIZOPFISA-N 1 2 335.310 3.240 20 5 EGBDLO CCn1nc(C)c(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000818346058 1319534114 /nfs/dbraw/zinc/53/41/14/1319534114.db2.gz QZGOPAKZPVICAY-MRXNPFEDSA-N 1 2 329.404 3.072 20 5 EGBDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000852777525 1323242005 /nfs/dbraw/zinc/24/20/05/1323242005.db2.gz PSWONAOMENDLRH-IYBDPMFKSA-N 1 2 347.415 3.179 20 5 EGBDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000852777525 1323242009 /nfs/dbraw/zinc/24/20/09/1323242009.db2.gz PSWONAOMENDLRH-IYBDPMFKSA-N 1 2 347.415 3.179 20 5 EGBDLO C[C@H]1c2ccccc2OCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853630016 1325135975 /nfs/dbraw/zinc/13/59/75/1325135975.db2.gz PLZJOXUQCOAAFZ-ZDUSSCGKSA-N 1 2 338.367 3.358 20 5 EGBDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853630016 1325135980 /nfs/dbraw/zinc/13/59/80/1325135980.db2.gz PLZJOXUQCOAAFZ-ZDUSSCGKSA-N 1 2 338.367 3.358 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927093886 1327859036 /nfs/dbraw/zinc/85/90/36/1327859036.db2.gz IWPAIAXIPZMCLY-UHFFFAOYSA-N 1 2 340.383 3.015 20 5 EGBDLO Cc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000927096364 1327859846 /nfs/dbraw/zinc/85/98/46/1327859846.db2.gz WCFIQBTUSNOOKV-UHFFFAOYSA-N 1 2 340.383 3.015 20 5 EGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933170603 1329868862 /nfs/dbraw/zinc/86/88/62/1329868862.db2.gz JLNKZGFLGCEXKR-ZYHUDNBSSA-N 1 2 326.780 3.022 20 5 EGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933170603 1329868863 /nfs/dbraw/zinc/86/88/63/1329868863.db2.gz JLNKZGFLGCEXKR-ZYHUDNBSSA-N 1 2 326.780 3.022 20 5 EGBDLO CC(C)=C(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029270005 1340965104 /nfs/dbraw/zinc/96/51/04/1340965104.db2.gz KKMKXLVJRJWIQK-GASCZTMLSA-N 1 2 347.390 3.033 20 5 EGBDLO CC(C)=C(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029270005 1340965105 /nfs/dbraw/zinc/96/51/05/1340965105.db2.gz KKMKXLVJRJWIQK-GASCZTMLSA-N 1 2 347.390 3.033 20 5 EGBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001121309029 1371932407 /nfs/dbraw/zinc/93/24/07/1371932407.db2.gz ZIHUDWUSHLRELH-UHFFFAOYSA-N 1 2 348.790 3.002 20 5 EGBDLO Cc1cc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)ncc1[N+](=O)[O-] ZINC001212664953 1372748032 /nfs/dbraw/zinc/74/80/32/1372748032.db2.gz ORQSCFHWQVPKBJ-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC001225912659 1375174829 /nfs/dbraw/zinc/17/48/29/1375174829.db2.gz LUZQPDGONIBDOW-INIZCTEOSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC001225912659 1375174834 /nfs/dbraw/zinc/17/48/34/1375174834.db2.gz LUZQPDGONIBDOW-INIZCTEOSA-N 1 2 346.358 3.014 20 5 EGBDLO C[C@H](Oc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227479695 1375435860 /nfs/dbraw/zinc/43/58/60/1375435860.db2.gz HXQSPXVSZMQACN-KXBFYZLASA-N 1 2 342.395 3.263 20 5 EGBDLO C[C@H](Oc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227479695 1375435867 /nfs/dbraw/zinc/43/58/67/1375435867.db2.gz HXQSPXVSZMQACN-KXBFYZLASA-N 1 2 342.395 3.263 20 5 EGBDLO CCCCCOC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904959 1384875428 /nfs/dbraw/zinc/87/54/28/1384875428.db2.gz GXMOKCVZXMXTPE-INIZCTEOSA-N 1 2 334.416 3.165 20 5 EGBDLO C[N@@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001347145567 1391010662 /nfs/dbraw/zinc/01/06/62/1391010662.db2.gz MLIRMTBOZMDJFV-UHFFFAOYSA-N 1 2 343.246 3.462 20 5 EGBDLO C[N@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001347145567 1391010659 /nfs/dbraw/zinc/01/06/59/1391010659.db2.gz MLIRMTBOZMDJFV-UHFFFAOYSA-N 1 2 343.246 3.462 20 5 EGBDLO CCC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001347413480 1391071878 /nfs/dbraw/zinc/07/18/78/1391071878.db2.gz NQAXTXAKKMCYSS-AWEZNQCLSA-N 1 2 328.372 3.185 20 5 EGBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001351932162 1391718770 /nfs/dbraw/zinc/71/87/70/1391718770.db2.gz VWGORUHQQSGUKY-UHFFFAOYSA-N 1 2 349.412 3.126 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000111376346 204353887 /nfs/dbraw/zinc/35/38/87/204353887.db2.gz VPAFBWDMOXVKQD-MNOVXSKESA-N 1 2 348.428 3.292 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCNc1cccc[nH+]1 ZINC000127658168 205110114 /nfs/dbraw/zinc/11/01/14/205110114.db2.gz CNXMYMIEJDQINM-UHFFFAOYSA-N 1 2 343.387 3.230 20 5 EGBDLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000111275150 220131105 /nfs/dbraw/zinc/13/11/05/220131105.db2.gz IAVPIUNDQXBGIB-SLEUVZQESA-N 1 2 346.387 3.205 20 5 EGBDLO CC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000111275150 220131108 /nfs/dbraw/zinc/13/11/08/220131108.db2.gz IAVPIUNDQXBGIB-SLEUVZQESA-N 1 2 346.387 3.205 20 5 EGBDLO Cc1cc(N2CCCOC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000377710585 169066392 /nfs/dbraw/zinc/06/63/92/169066392.db2.gz VWFYQABCKIOQAS-UHFFFAOYSA-N 1 2 342.399 3.366 20 5 EGBDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000175264376 207110048 /nfs/dbraw/zinc/11/00/48/207110048.db2.gz SHCKDOFVTLDKQW-QWRGUYRKSA-N 1 2 334.401 3.038 20 5 EGBDLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000012796761 292056081 /nfs/dbraw/zinc/05/60/81/292056081.db2.gz CNGFOLIFJWKKGB-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000012796761 292056082 /nfs/dbraw/zinc/05/60/82/292056082.db2.gz CNGFOLIFJWKKGB-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO Cn1cc[nH+]c1[C@H](NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000353439094 141295078 /nfs/dbraw/zinc/29/50/78/141295078.db2.gz HPLPDNLSESTFFZ-QGZVFWFLSA-N 1 2 340.358 3.347 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc(CO)c[nH+]3)o2)cc1 ZINC000356323504 141341758 /nfs/dbraw/zinc/34/17/58/141341758.db2.gz TUOBPBZMRQFUQE-UHFFFAOYSA-N 1 2 325.324 3.354 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccn1 ZINC000172985387 144032848 /nfs/dbraw/zinc/03/28/48/144032848.db2.gz KBKOSGWHBOVMLO-NEPJUHHUSA-N 1 2 339.355 3.452 20 5 EGBDLO C[C@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000351474819 144266557 /nfs/dbraw/zinc/26/65/57/144266557.db2.gz HCGKAENNYDXNPE-CHWSQXEVSA-N 1 2 342.399 3.335 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])cc1F ZINC000184289791 286219082 /nfs/dbraw/zinc/21/90/82/286219082.db2.gz QBPOGOIFFMJTJS-AWEZNQCLSA-N 1 2 348.378 3.420 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c([N+](=O)[O-])cc1F ZINC000184289791 286219084 /nfs/dbraw/zinc/21/90/84/286219084.db2.gz QBPOGOIFFMJTJS-AWEZNQCLSA-N 1 2 348.378 3.420 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000337366351 154310289 /nfs/dbraw/zinc/31/02/89/154310289.db2.gz NWLVNOQCFJXODA-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1 ZINC000337366351 154310293 /nfs/dbraw/zinc/31/02/93/154310293.db2.gz NWLVNOQCFJXODA-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000338646033 163304311 /nfs/dbraw/zinc/30/43/11/163304311.db2.gz XQJLIZUOMQKKMJ-UHFFFAOYSA-N 1 2 338.367 3.460 20 5 EGBDLO Cc1cc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338706689 163325584 /nfs/dbraw/zinc/32/55/84/163325584.db2.gz WVBHKBYOMSLKSU-UHFFFAOYSA-N 1 2 326.278 3.342 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1NCCNc1cccc[nH+]1 ZINC000354755203 166023578 /nfs/dbraw/zinc/02/35/78/166023578.db2.gz LHNJVZFEYFPSIX-UHFFFAOYSA-N 1 2 337.177 3.276 20 5 EGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1c(F)cccc1[N+](=O)[O-] ZINC000350941438 165083673 /nfs/dbraw/zinc/08/36/73/165083673.db2.gz OFYKOIDOQLBGAS-UHFFFAOYSA-N 1 2 346.284 3.125 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000364795162 167986166 /nfs/dbraw/zinc/98/61/66/167986166.db2.gz ITHNKBCVOFGKMT-CQSZACIVSA-N 1 2 342.399 3.461 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CCO)c3ccco3)co2)cc1 ZINC000185066289 265482372 /nfs/dbraw/zinc/48/23/72/265482372.db2.gz WHILPSBVCQBOMD-HNNXBMFYSA-N 1 2 343.339 3.056 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279770731 275358124 /nfs/dbraw/zinc/35/81/24/275358124.db2.gz NAWMKLGINJDNSI-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279770731 275358125 /nfs/dbraw/zinc/35/81/25/275358125.db2.gz NAWMKLGINJDNSI-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279957694 275381971 /nfs/dbraw/zinc/38/19/71/275381971.db2.gz YDXNFVZKGOTPJO-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279957694 275381973 /nfs/dbraw/zinc/38/19/73/275381973.db2.gz YDXNFVZKGOTPJO-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000287425396 276118686 /nfs/dbraw/zinc/11/86/86/276118686.db2.gz GGGVVWWPNVMVCB-UHFFFAOYSA-N 1 2 328.372 3.313 20 5 EGBDLO Cc1ccc(NC(=O)C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000255341785 308047210 /nfs/dbraw/zinc/04/72/10/308047210.db2.gz ITQFILGHNWVFCE-ALCCZGGFSA-N 1 2 339.395 3.487 20 5 EGBDLO Cc1ccc(NC(=O)C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000255341785 308047212 /nfs/dbraw/zinc/04/72/12/308047212.db2.gz ITQFILGHNWVFCE-ALCCZGGFSA-N 1 2 339.395 3.487 20 5 EGBDLO Cc1cc(NCCC(C)(C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000294974856 308277865 /nfs/dbraw/zinc/27/78/65/308277865.db2.gz ONYFFZGQBJUFDC-UHFFFAOYSA-N 1 2 330.388 3.181 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000295334777 308315477 /nfs/dbraw/zinc/31/54/77/308315477.db2.gz ATJYLJTYEQNFJO-ZDUSSCGKSA-N 1 2 348.790 3.205 20 5 EGBDLO Cc1nc(NCc2ccc(N3CCCCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000295547119 308337528 /nfs/dbraw/zinc/33/75/28/308337528.db2.gz OYCDJIUXGYCFEJ-UHFFFAOYSA-N 1 2 342.403 3.081 20 5 EGBDLO Cc1cc(N[C@H](C)CCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000296409182 308424235 /nfs/dbraw/zinc/42/42/35/308424235.db2.gz WKAKDYWEJYAXBJ-GFCCVEGCSA-N 1 2 330.388 3.323 20 5 EGBDLO Cc1nc(NCc2cc[nH+]c(N3CCCCCC3)c2)ncc1[N+](=O)[O-] ZINC000297271602 308516454 /nfs/dbraw/zinc/51/64/54/308516454.db2.gz WUZCBZHQNJKHJD-UHFFFAOYSA-N 1 2 342.403 3.081 20 5 EGBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413280145 309024868 /nfs/dbraw/zinc/02/48/68/309024868.db2.gz JZXLRXAZZXCYIR-UHFFFAOYSA-N 1 2 331.328 3.038 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]([C@H](CO)C3CC3)C3CC3)c2c1 ZINC000413310845 309026089 /nfs/dbraw/zinc/02/60/89/309026089.db2.gz DFFMPRPGDAMOLT-SJORKVTESA-N 1 2 327.384 3.352 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000436001516 309744681 /nfs/dbraw/zinc/74/46/81/309744681.db2.gz BMOIDBNQDZQQAY-OAHLLOKOSA-N 1 2 346.362 3.318 20 5 EGBDLO CO[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000440674711 309854364 /nfs/dbraw/zinc/85/43/64/309854364.db2.gz TVTRAYMJJFCEIU-XJKSGUPXSA-N 1 2 342.399 3.364 20 5 EGBDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448656639 310010983 /nfs/dbraw/zinc/01/09/83/310010983.db2.gz OJYDLPAEEMEEFS-UKRRQHHQSA-N 1 2 342.399 3.431 20 5 EGBDLO CCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000449349023 310055887 /nfs/dbraw/zinc/05/58/87/310055887.db2.gz NYMJFJZXPPMKSF-NSHDSACASA-N 1 2 348.428 3.275 20 5 EGBDLO Cc1nc(C[NH2+]Cc2csc([N+](=O)[O-])c2)sc1Br ZINC000449401993 310059180 /nfs/dbraw/zinc/05/91/80/310059180.db2.gz OYUCPJCBRBVWRV-UHFFFAOYSA-N 1 2 348.247 3.474 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000449765583 310085766 /nfs/dbraw/zinc/08/57/66/310085766.db2.gz JFGPHOYWOVBNDM-MRXNPFEDSA-N 1 2 348.424 3.355 20 5 EGBDLO CC[C@H]1[C@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450739032 310140269 /nfs/dbraw/zinc/14/02/69/310140269.db2.gz PVLYLZFCTLXYJF-OCCSQVGLSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1cc(C)c(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c[nH+]1 ZINC000450904529 310148972 /nfs/dbraw/zinc/14/89/72/310148972.db2.gz FSJIRDUTRXDTKC-UHFFFAOYSA-N 1 2 340.383 3.111 20 5 EGBDLO Cc1oc2nc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)nc(N)c2c1C ZINC000451101441 310160758 /nfs/dbraw/zinc/16/07/58/310160758.db2.gz CLQNVFQTHSLWBC-JTQLQIEISA-N 1 2 341.371 3.181 20 5 EGBDLO Cc1cc(N2CC(C)(C)OC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000487140279 311012304 /nfs/dbraw/zinc/01/23/04/311012304.db2.gz QNCVSYPQIVHGKX-ZDUSSCGKSA-N 1 2 342.399 3.364 20 5 EGBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000491939605 311200763 /nfs/dbraw/zinc/20/07/63/311200763.db2.gz OTZBPINNZWPGSX-ALCCZGGFSA-N 1 2 326.287 3.034 20 5 EGBDLO CCn1cc[nH+]c1/C=C/C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492494860 311257556 /nfs/dbraw/zinc/25/75/56/311257556.db2.gz SWWUIPHTWDHVRE-CMDGGOBGSA-N 1 2 340.383 3.016 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000519834850 312483090 /nfs/dbraw/zinc/48/30/90/312483090.db2.gz VKOJPMLXSUCVOE-GFCCVEGCSA-N 1 2 338.289 3.181 20 5 EGBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000533816629 313934795 /nfs/dbraw/zinc/93/47/95/313934795.db2.gz YYFLHEZTYUYJMS-UHFFFAOYSA-N 1 2 335.404 3.113 20 5 EGBDLO CO[C@H]1CCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539232415 314302483 /nfs/dbraw/zinc/30/24/83/314302483.db2.gz FPEZOFHOWLAHDN-ZBFHGGJFSA-N 1 2 342.399 3.009 20 5 EGBDLO COc1c(C)[nH+]c(C2CC2)nc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563425690 316019923 /nfs/dbraw/zinc/01/99/23/316019923.db2.gz JKLYMHSLHJVSII-UHFFFAOYSA-N 1 2 340.383 3.142 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475064 316483573 /nfs/dbraw/zinc/48/35/73/316483573.db2.gz JRZFGDUDAPLHFL-CABCVRRESA-N 1 2 341.415 3.422 20 5 EGBDLO COc1ccc(OCCn2c[nH+]c3cc(F)c(F)cc32)c([N+](=O)[O-])c1 ZINC000181564129 455355912 /nfs/dbraw/zinc/35/59/12/455355912.db2.gz CVXQGACHAMONGX-UHFFFAOYSA-N 1 2 349.293 3.310 20 5 EGBDLO Cc1ccc(-c2ccc(NCC3CCOCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000600791513 460606561 /nfs/dbraw/zinc/60/65/61/460606561.db2.gz PYFZYIDVWOCILF-UHFFFAOYSA-N 1 2 327.384 3.226 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021674559 453681052 /nfs/dbraw/zinc/68/10/52/453681052.db2.gz HNKIXLSICSTVDT-QGZVFWFLSA-N 1 2 345.374 3.219 20 5 EGBDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025409823 453769953 /nfs/dbraw/zinc/76/99/53/453769953.db2.gz ABIOLMAFKDWKEE-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025409823 453769957 /nfs/dbraw/zinc/76/99/57/453769957.db2.gz ABIOLMAFKDWKEE-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO CC(C)(C)SCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066737410 453868164 /nfs/dbraw/zinc/86/81/64/453868164.db2.gz RIYGUZCNCUIGAN-UHFFFAOYSA-N 1 2 348.428 3.042 20 5 EGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000033324068 453913830 /nfs/dbraw/zinc/91/38/30/453913830.db2.gz QOXVOJOFKGEISY-UITAMQMPSA-N 1 2 337.423 3.426 20 5 EGBDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000054225494 453917683 /nfs/dbraw/zinc/91/76/83/453917683.db2.gz OICRHWGAVHMLSA-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO O=[N+]([O-])c1sccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000600874867 460626313 /nfs/dbraw/zinc/62/63/13/460626313.db2.gz DZXIENUCRLIWAV-DAXSKMNVSA-N 1 2 329.425 3.492 20 5 EGBDLO Cc1c(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cccc1[N+](=O)[O-] ZINC000184630543 455417002 /nfs/dbraw/zinc/41/70/02/455417002.db2.gz BBEGMOPTFYLZBO-AWEZNQCLSA-N 1 2 346.456 3.239 20 5 EGBDLO Cn1cc(C[N@H+](C)Cc2cscn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120200057 454271243 /nfs/dbraw/zinc/27/12/43/454271243.db2.gz UOHPJFACDSLQRA-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cn1cc(C[N@@H+](C)Cc2cscn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120200057 454271245 /nfs/dbraw/zinc/27/12/45/454271245.db2.gz UOHPJFACDSLQRA-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cc1cccc([C@@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000063258442 454399469 /nfs/dbraw/zinc/39/94/69/454399469.db2.gz KWQOZBHIISWRDV-MRXNPFEDSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1c(F)cccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073391967 454432345 /nfs/dbraw/zinc/43/23/45/454432345.db2.gz KCAJPUKONODRLD-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091894399 454486153 /nfs/dbraw/zinc/48/61/53/454486153.db2.gz CXHHQPFDJNBJGD-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091894399 454486155 /nfs/dbraw/zinc/48/61/55/454486155.db2.gz CXHHQPFDJNBJGD-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000092102729 454523806 /nfs/dbraw/zinc/52/38/06/454523806.db2.gz FYYYENQWILMEDL-BPJJOFIESA-N 1 2 343.349 3.176 20 5 EGBDLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000092102729 454523811 /nfs/dbraw/zinc/52/38/11/454523811.db2.gz FYYYENQWILMEDL-BPJJOFIESA-N 1 2 343.349 3.176 20 5 EGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(C)c2)cc1SC ZINC000103186453 454542579 /nfs/dbraw/zinc/54/25/79/454542579.db2.gz UVZZVEVXWYUISG-UHFFFAOYSA-N 1 2 333.369 3.281 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000122786360 454569702 /nfs/dbraw/zinc/56/97/02/454569702.db2.gz MUFWXJUZMQAQKR-ZDUSSCGKSA-N 1 2 345.359 3.086 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(F)cccc2C1 ZINC000152936522 454744633 /nfs/dbraw/zinc/74/46/33/454744633.db2.gz RKIGVNGCLDPTOI-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(F)cccc2C1 ZINC000152936522 454744638 /nfs/dbraw/zinc/74/46/38/454744638.db2.gz RKIGVNGCLDPTOI-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000178268622 454944918 /nfs/dbraw/zinc/94/49/18/454944918.db2.gz RJHODRKLLZZSQY-GJZGRUSLSA-N 1 2 340.383 3.043 20 5 EGBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127574753 454978658 /nfs/dbraw/zinc/97/86/58/454978658.db2.gz ASYHWFOSQJIEHX-LBPRGKRZSA-N 1 2 329.356 3.049 20 5 EGBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127574753 454978660 /nfs/dbraw/zinc/97/86/60/454978660.db2.gz ASYHWFOSQJIEHX-LBPRGKRZSA-N 1 2 329.356 3.049 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127973708 455014597 /nfs/dbraw/zinc/01/45/97/455014597.db2.gz NVXTVUFZYRMREU-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127973708 455014598 /nfs/dbraw/zinc/01/45/98/455014598.db2.gz NVXTVUFZYRMREU-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245435626 455298173 /nfs/dbraw/zinc/29/81/73/455298173.db2.gz QOIFDXLOIAIEQG-FZKQIMNGSA-N 1 2 325.368 3.226 20 5 EGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245435626 455298178 /nfs/dbraw/zinc/29/81/78/455298178.db2.gz QOIFDXLOIAIEQG-FZKQIMNGSA-N 1 2 325.368 3.226 20 5 EGBDLO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000192456238 455621217 /nfs/dbraw/zinc/62/12/17/455621217.db2.gz RDWXMRSECDKITB-JTQLQIEISA-N 1 2 328.344 3.044 20 5 EGBDLO Cc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000272342833 455920054 /nfs/dbraw/zinc/92/00/54/455920054.db2.gz NCOVMAHKXGHZDQ-GFCCVEGCSA-N 1 2 329.360 3.038 20 5 EGBDLO CC(=O)c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000296576840 455978983 /nfs/dbraw/zinc/97/89/83/455978983.db2.gz QWBIHUNYJYVWJX-UHFFFAOYSA-N 1 2 339.395 3.120 20 5 EGBDLO Cc1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301439844 456116739 /nfs/dbraw/zinc/11/67/39/456116739.db2.gz MEEDHKJRBOCCPY-LJQANCHMSA-N 1 2 341.411 3.389 20 5 EGBDLO COc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000271200563 456168659 /nfs/dbraw/zinc/16/86/59/456168659.db2.gz PVAMAUQCFKPTQQ-UHFFFAOYSA-N 1 2 346.305 3.306 20 5 EGBDLO COc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000271200563 456168670 /nfs/dbraw/zinc/16/86/70/456168670.db2.gz PVAMAUQCFKPTQQ-UHFFFAOYSA-N 1 2 346.305 3.306 20 5 EGBDLO C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000301784925 456213589 /nfs/dbraw/zinc/21/35/89/456213589.db2.gz LBIDSJNWXYXAMS-MRXNPFEDSA-N 1 2 333.338 3.366 20 5 EGBDLO C[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000301784925 456213594 /nfs/dbraw/zinc/21/35/94/456213594.db2.gz LBIDSJNWXYXAMS-MRXNPFEDSA-N 1 2 333.338 3.366 20 5 EGBDLO O=[N+]([O-])c1cnc(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)nc1 ZINC000302242727 456328387 /nfs/dbraw/zinc/32/83/87/456328387.db2.gz YPYGFMZKENLPLE-UHFFFAOYSA-N 1 2 332.323 3.467 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000347756672 456352339 /nfs/dbraw/zinc/35/23/39/456352339.db2.gz SZDJIUZPDHSSAA-QGZVFWFLSA-N 1 2 340.358 3.347 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)n2)cc1 ZINC000298744877 456530220 /nfs/dbraw/zinc/53/02/20/456530220.db2.gz DLWVBEFTHJQGAP-HNNXBMFYSA-N 1 2 339.355 3.310 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)n2)cc1 ZINC000298744877 456530227 /nfs/dbraw/zinc/53/02/27/456530227.db2.gz DLWVBEFTHJQGAP-HNNXBMFYSA-N 1 2 339.355 3.310 20 5 EGBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000337798928 456553420 /nfs/dbraw/zinc/55/34/20/456553420.db2.gz HCKUSKURTNJCDK-UHFFFAOYSA-N 1 2 341.415 3.054 20 5 EGBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000337798928 456553427 /nfs/dbraw/zinc/55/34/27/456553427.db2.gz HCKUSKURTNJCDK-UHFFFAOYSA-N 1 2 341.415 3.054 20 5 EGBDLO CC1(C)COCC[N@@H+]1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338292423 456751494 /nfs/dbraw/zinc/75/14/94/456751494.db2.gz BIPCQQMXNGCACB-UHFFFAOYSA-N 1 2 347.337 3.136 20 5 EGBDLO CC1(C)COCC[N@H+]1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338292423 456751503 /nfs/dbraw/zinc/75/15/03/456751503.db2.gz BIPCQQMXNGCACB-UHFFFAOYSA-N 1 2 347.337 3.136 20 5 EGBDLO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000348545823 456757228 /nfs/dbraw/zinc/75/72/28/456757228.db2.gz XKZBZYNBHFJJNB-UHFFFAOYSA-N 1 2 348.790 3.022 20 5 EGBDLO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000348545823 456757234 /nfs/dbraw/zinc/75/72/34/456757234.db2.gz XKZBZYNBHFJJNB-UHFFFAOYSA-N 1 2 348.790 3.022 20 5 EGBDLO CCOC1CC(N(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000340918135 456760913 /nfs/dbraw/zinc/76/09/13/456760913.db2.gz QKORWQPWOCBMRF-UHFFFAOYSA-N 1 2 342.399 3.364 20 5 EGBDLO C[C@@H]1CCCN(c2cc(NCc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000301239811 456830639 /nfs/dbraw/zinc/83/06/39/456830639.db2.gz LWCFZKBKLDYSOV-CYBMUJFWSA-N 1 2 327.388 3.233 20 5 EGBDLO C[C@@H]1CCCN(c2cc(NCc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000301239811 456830642 /nfs/dbraw/zinc/83/06/42/456830642.db2.gz LWCFZKBKLDYSOV-CYBMUJFWSA-N 1 2 327.388 3.233 20 5 EGBDLO COc1ccc(-c2ccc(C[N@H+](C)Cc3ccon3)o2)c([N+](=O)[O-])c1 ZINC000353820479 456922403 /nfs/dbraw/zinc/92/24/03/456922403.db2.gz JFQXPALRXIPFKO-UHFFFAOYSA-N 1 2 343.339 3.483 20 5 EGBDLO COc1ccc(-c2ccc(C[N@@H+](C)Cc3ccon3)o2)c([N+](=O)[O-])c1 ZINC000353820479 456922407 /nfs/dbraw/zinc/92/24/07/456922407.db2.gz JFQXPALRXIPFKO-UHFFFAOYSA-N 1 2 343.339 3.483 20 5 EGBDLO COc1cc(C)c([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000339069798 456925671 /nfs/dbraw/zinc/92/56/71/456925671.db2.gz LQTBIDOCTZWFRT-GFCCVEGCSA-N 1 2 346.383 3.477 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000353914824 456963759 /nfs/dbraw/zinc/96/37/59/456963759.db2.gz SNJRBUFTAZXZCM-HNNXBMFYSA-N 1 2 343.387 3.164 20 5 EGBDLO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000360172650 457287435 /nfs/dbraw/zinc/28/74/35/457287435.db2.gz YMXWJNRJMPBFEM-INIZCTEOSA-N 1 2 325.368 3.116 20 5 EGBDLO Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000360172650 457287438 /nfs/dbraw/zinc/28/74/38/457287438.db2.gz YMXWJNRJMPBFEM-INIZCTEOSA-N 1 2 325.368 3.116 20 5 EGBDLO COc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000356134739 457477174 /nfs/dbraw/zinc/47/71/74/457477174.db2.gz ZEHXZNVAHIBVHW-UHFFFAOYSA-N 1 2 345.355 3.185 20 5 EGBDLO CNc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000361162414 457622239 /nfs/dbraw/zinc/62/22/39/457622239.db2.gz SVGMEWIYSJPJNU-UHFFFAOYSA-N 1 2 337.339 3.075 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]3c3[nH]cc[nH+]3)co2)cc1 ZINC000374860453 457721313 /nfs/dbraw/zinc/72/13/13/457721313.db2.gz WGVCGIPZNGDWHN-OAHLLOKOSA-N 1 2 339.355 3.310 20 5 EGBDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361613372 457805641 /nfs/dbraw/zinc/80/56/41/457805641.db2.gz XONDVQNNBPVGKG-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361613372 457805643 /nfs/dbraw/zinc/80/56/43/457805643.db2.gz XONDVQNNBPVGKG-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO COc1cc(C[N@@H+]2CCOc3c(F)cccc3C2)ccc1[N+](=O)[O-] ZINC000434628979 458025343 /nfs/dbraw/zinc/02/53/43/458025343.db2.gz PSPCRILIMGSYQH-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO COc1cc(C[N@H+]2CCOc3c(F)cccc3C2)ccc1[N+](=O)[O-] ZINC000434628979 458025348 /nfs/dbraw/zinc/02/53/48/458025348.db2.gz PSPCRILIMGSYQH-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000375944694 458133642 /nfs/dbraw/zinc/13/36/42/458133642.db2.gz AUGYPGVGBLFRIE-LLVKDONJSA-N 1 2 348.790 3.002 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369397431 458202755 /nfs/dbraw/zinc/20/27/55/458202755.db2.gz GTTXZNNNJPZBQN-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369397431 458202759 /nfs/dbraw/zinc/20/27/59/458202759.db2.gz GTTXZNNNJPZBQN-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000428936544 458235223 /nfs/dbraw/zinc/23/52/23/458235223.db2.gz AORJVFDZXUJQRH-CYBMUJFWSA-N 1 2 332.322 3.179 20 5 EGBDLO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000428936544 458235231 /nfs/dbraw/zinc/23/52/31/458235231.db2.gz AORJVFDZXUJQRH-CYBMUJFWSA-N 1 2 332.322 3.179 20 5 EGBDLO C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)c[nH+]2)C[C@H](C)O1 ZINC000530479849 458776123 /nfs/dbraw/zinc/77/61/23/458776123.db2.gz GPMPLQOORVXAEK-STQMWFEESA-N 1 2 328.372 3.347 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(F)c1 ZINC000530623362 458800837 /nfs/dbraw/zinc/80/08/37/458800837.db2.gz NJICJHMPZYIXTN-GFCCVEGCSA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(F)c1 ZINC000530623362 458800841 /nfs/dbraw/zinc/80/08/41/458800841.db2.gz NJICJHMPZYIXTN-GFCCVEGCSA-N 1 2 336.285 3.277 20 5 EGBDLO Cc1cc(C)c(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c[nH+]1 ZINC000456857902 458802796 /nfs/dbraw/zinc/80/27/96/458802796.db2.gz LCHFVFHKIRNOPW-UHFFFAOYSA-N 1 2 340.383 3.111 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000441399493 458936006 /nfs/dbraw/zinc/93/60/06/458936006.db2.gz ZONJWZMFZDGWDJ-LLVKDONJSA-N 1 2 349.328 3.174 20 5 EGBDLO CCC[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594511403 459069288 /nfs/dbraw/zinc/06/92/88/459069288.db2.gz MWCLUHYATZSOSF-LSDHHAIUSA-N 1 2 345.403 3.195 20 5 EGBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc1 ZINC000590754915 459205384 /nfs/dbraw/zinc/20/53/84/459205384.db2.gz SPTOTPUBGMCBLU-AWEZNQCLSA-N 1 2 342.399 3.066 20 5 EGBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc1 ZINC000590754915 459205390 /nfs/dbraw/zinc/20/53/90/459205390.db2.gz SPTOTPUBGMCBLU-AWEZNQCLSA-N 1 2 342.399 3.066 20 5 EGBDLO Cc1noc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595288335 459267841 /nfs/dbraw/zinc/26/78/41/459267841.db2.gz YWUDKYPPBAEYMN-LBPRGKRZSA-N 1 2 337.401 3.134 20 5 EGBDLO Cc1noc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595288335 459267844 /nfs/dbraw/zinc/26/78/44/459267844.db2.gz YWUDKYPPBAEYMN-LBPRGKRZSA-N 1 2 337.401 3.134 20 5 EGBDLO COc1ccccc1N1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595288235 459268061 /nfs/dbraw/zinc/26/80/61/459268061.db2.gz LVAKRLDPYVDZSU-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CC1(CC(F)(F)F)C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590969944 459286424 /nfs/dbraw/zinc/28/64/24/459286424.db2.gz JXLMPZOKEATGDL-UHFFFAOYSA-N 1 2 346.305 3.140 20 5 EGBDLO COC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000595418237 459294888 /nfs/dbraw/zinc/29/48/88/459294888.db2.gz FEGIKWAEUXNNQH-HNNXBMFYSA-N 1 2 340.301 3.489 20 5 EGBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C(F)(F)F)O1 ZINC000591150935 459323024 /nfs/dbraw/zinc/32/30/24/459323024.db2.gz VUPYKYQQHKBIII-NOZJJQNGSA-N 1 2 341.289 3.299 20 5 EGBDLO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000595493590 459324990 /nfs/dbraw/zinc/32/49/90/459324990.db2.gz TXATVGHFEOMODN-LBPRGKRZSA-N 1 2 335.360 3.149 20 5 EGBDLO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c([N+](=O)[O-])s1 ZINC000596109591 459524314 /nfs/dbraw/zinc/52/43/14/459524314.db2.gz YSDLRUXPFZESOM-UHFFFAOYSA-N 1 2 338.458 3.134 20 5 EGBDLO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c([N+](=O)[O-])s1 ZINC000596109591 459524318 /nfs/dbraw/zinc/52/43/18/459524318.db2.gz YSDLRUXPFZESOM-UHFFFAOYSA-N 1 2 338.458 3.134 20 5 EGBDLO CC1(C)COCC[N@@H+]1CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596111958 459525769 /nfs/dbraw/zinc/52/57/69/459525769.db2.gz FPZRKXLMMLHYAZ-UHFFFAOYSA-N 1 2 329.347 3.055 20 5 EGBDLO CC1(C)COCC[N@H+]1CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596111958 459525773 /nfs/dbraw/zinc/52/57/73/459525773.db2.gz FPZRKXLMMLHYAZ-UHFFFAOYSA-N 1 2 329.347 3.055 20 5 EGBDLO CCn1cc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C(C)C)cn1 ZINC000593082447 459767813 /nfs/dbraw/zinc/76/78/13/459767813.db2.gz RYKMQIOKNBEHLY-UHFFFAOYSA-N 1 2 332.404 3.230 20 5 EGBDLO CCn1cc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C(C)C)cn1 ZINC000593082447 459767816 /nfs/dbraw/zinc/76/78/16/459767816.db2.gz RYKMQIOKNBEHLY-UHFFFAOYSA-N 1 2 332.404 3.230 20 5 EGBDLO COc1cc(C[N@@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000574605831 459839565 /nfs/dbraw/zinc/83/95/65/459839565.db2.gz LXTUIUCFHJOCHM-AWEZNQCLSA-N 1 2 326.393 3.070 20 5 EGBDLO COc1cc(C[N@H+]2CCSC[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000574605831 459839568 /nfs/dbraw/zinc/83/95/68/459839568.db2.gz LXTUIUCFHJOCHM-AWEZNQCLSA-N 1 2 326.393 3.070 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC([C@@H]3CCOC3)CC2)c(F)c1 ZINC000586769087 459868374 /nfs/dbraw/zinc/86/83/74/459868374.db2.gz CSKFUTACZZRQTC-GFCCVEGCSA-N 1 2 326.343 3.122 20 5 EGBDLO COCCc1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000602439173 459939873 /nfs/dbraw/zinc/93/98/73/459939873.db2.gz INMPXMDFWXVEQD-UHFFFAOYSA-N 1 2 347.440 3.405 20 5 EGBDLO COCCc1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000602439173 459939878 /nfs/dbraw/zinc/93/98/78/459939878.db2.gz INMPXMDFWXVEQD-UHFFFAOYSA-N 1 2 347.440 3.405 20 5 EGBDLO Cc1nnc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000602595865 460015602 /nfs/dbraw/zinc/01/56/02/460015602.db2.gz FGSBCNAXNXTKNC-UHFFFAOYSA-N 1 2 332.307 3.063 20 5 EGBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647450 460042033 /nfs/dbraw/zinc/04/20/33/460042033.db2.gz KACCWVYVGTVDPQ-OAHLLOKOSA-N 1 2 341.371 3.197 20 5 EGBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647450 460042039 /nfs/dbraw/zinc/04/20/39/460042039.db2.gz KACCWVYVGTVDPQ-OAHLLOKOSA-N 1 2 341.371 3.197 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccncc1)OCCO2 ZINC000589192661 460049459 /nfs/dbraw/zinc/04/94/59/460049459.db2.gz SECKMPBTAOBLQD-OAHLLOKOSA-N 1 2 341.367 3.098 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccncc1)OCCO2 ZINC000589192661 460049466 /nfs/dbraw/zinc/04/94/66/460049466.db2.gz SECKMPBTAOBLQD-OAHLLOKOSA-N 1 2 341.367 3.098 20 5 EGBDLO COc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc1[N+](=O)[O-] ZINC000610310288 460116187 /nfs/dbraw/zinc/11/61/87/460116187.db2.gz IKOUSWSGANHTHH-UHFFFAOYSA-N 1 2 340.339 3.051 20 5 EGBDLO O=[N+]([O-])c1cccc2c(NC[C@H]3CCC[N@@H+]3CC(F)F)ccnc21 ZINC000599133633 460170582 /nfs/dbraw/zinc/17/05/82/460170582.db2.gz KAESIPYRONMLCY-LLVKDONJSA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1cccc2c(NC[C@H]3CCC[N@H+]3CC(F)F)ccnc21 ZINC000599133633 460170589 /nfs/dbraw/zinc/17/05/89/460170589.db2.gz KAESIPYRONMLCY-LLVKDONJSA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1cccc2c(NC[C@@H]3CCC[N@@H+]3CC(F)F)ccnc21 ZINC000599133634 460170657 /nfs/dbraw/zinc/17/06/57/460170657.db2.gz KAESIPYRONMLCY-NSHDSACASA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1cccc2c(NC[C@@H]3CCC[N@H+]3CC(F)F)ccnc21 ZINC000599133634 460170664 /nfs/dbraw/zinc/17/06/64/460170664.db2.gz KAESIPYRONMLCY-NSHDSACASA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(CN3CCCC[C@@H]3c3[nH]cc[nH+]3)nc2c1 ZINC000610821704 460242737 /nfs/dbraw/zinc/24/27/37/460242737.db2.gz VRODQHKGASKQSM-CYBMUJFWSA-N 1 2 327.344 3.186 20 5 EGBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000614925097 460247595 /nfs/dbraw/zinc/24/75/95/460247595.db2.gz UTLMGNSYVSEVDI-ZDUSSCGKSA-N 1 2 336.285 3.277 20 5 EGBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000614925097 460247597 /nfs/dbraw/zinc/24/75/97/460247597.db2.gz UTLMGNSYVSEVDI-ZDUSSCGKSA-N 1 2 336.285 3.277 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599622457 460290568 /nfs/dbraw/zinc/29/05/68/460290568.db2.gz ISHBMJPHIKKZTD-VIFPVBQESA-N 1 2 347.749 3.306 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599622457 460290574 /nfs/dbraw/zinc/29/05/74/460290574.db2.gz ISHBMJPHIKKZTD-VIFPVBQESA-N 1 2 347.749 3.306 20 5 EGBDLO CN(C)c1ccc(CSCCOc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000600572420 460529061 /nfs/dbraw/zinc/52/90/61/460529061.db2.gz YQLBKOANOFYKAU-UHFFFAOYSA-N 1 2 333.413 3.368 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])cc1F ZINC000361633585 536754944 /nfs/dbraw/zinc/75/49/44/536754944.db2.gz YYJSXHMPGVUGKB-CYBMUJFWSA-N 1 2 335.335 3.376 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])cc1F ZINC000361633585 536754950 /nfs/dbraw/zinc/75/49/50/536754950.db2.gz YYJSXHMPGVUGKB-CYBMUJFWSA-N 1 2 335.335 3.376 20 5 EGBDLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000731666078 575195115 /nfs/dbraw/zinc/19/51/15/575195115.db2.gz BDLXIENCXMHAGX-GOSISDBHSA-N 1 2 340.379 3.303 20 5 EGBDLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000731666078 575195117 /nfs/dbraw/zinc/19/51/17/575195117.db2.gz BDLXIENCXMHAGX-GOSISDBHSA-N 1 2 340.379 3.303 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cccs1 ZINC000016586867 1291175220 /nfs/dbraw/zinc/17/52/20/1291175220.db2.gz MOGKNDKTFSYGIJ-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1cccs1 ZINC000016586867 1291175223 /nfs/dbraw/zinc/17/52/23/1291175223.db2.gz MOGKNDKTFSYGIJ-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105700 1291525369 /nfs/dbraw/zinc/52/53/69/1291525369.db2.gz MEVVPQXWQWURGC-RMKNXTFCSA-N 1 2 334.335 3.432 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000830594475 1292738684 /nfs/dbraw/zinc/73/86/84/1292738684.db2.gz WEXPWARWPDNLJL-LBPRGKRZSA-N 1 2 348.790 3.002 20 5 EGBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000193181625 1295840951 /nfs/dbraw/zinc/84/09/51/1295840951.db2.gz KSIXSLJAEMGIHN-UHFFFAOYSA-N 1 2 330.300 3.076 20 5 EGBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCCCO1 ZINC000234306738 1296180567 /nfs/dbraw/zinc/18/05/67/1296180567.db2.gz ZKNNSADIDNKLTP-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCCCO1 ZINC000234306738 1296180574 /nfs/dbraw/zinc/18/05/74/1296180574.db2.gz ZKNNSADIDNKLTP-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000746986961 1298703095 /nfs/dbraw/zinc/70/30/95/1298703095.db2.gz ZGUMSBSCCPILLQ-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000746986961 1298703104 /nfs/dbraw/zinc/70/31/04/1298703104.db2.gz ZGUMSBSCCPILLQ-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO CN(C)c1ccc([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000876837966 1299025677 /nfs/dbraw/zinc/02/56/77/1299025677.db2.gz NCFZTQSDBAOWGB-UHFFFAOYSA-N 1 2 341.415 3.137 20 5 EGBDLO C[NH+](C)c1ccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000876837966 1299025679 /nfs/dbraw/zinc/02/56/79/1299025679.db2.gz NCFZTQSDBAOWGB-UHFFFAOYSA-N 1 2 341.415 3.137 20 5 EGBDLO Cc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000749997427 1299320971 /nfs/dbraw/zinc/32/09/71/1299320971.db2.gz ZZFXRVCYMCPQAO-UHFFFAOYSA-N 1 2 334.763 3.270 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000761055605 1301393617 /nfs/dbraw/zinc/39/36/17/1301393617.db2.gz LUBYEZVHKWLJLR-SNVBAGLBSA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)o2)cc1 ZINC000761055605 1301393629 /nfs/dbraw/zinc/39/36/29/1301393629.db2.gz LUBYEZVHKWLJLR-SNVBAGLBSA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)cc1Cl ZINC000761531218 1301491886 /nfs/dbraw/zinc/49/18/86/1301491886.db2.gz FVWWMIKPQDYGAO-UHFFFAOYSA-N 1 2 343.774 3.119 20 5 EGBDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCCOc1ccccc1[N+](=O)[O-] ZINC000782326951 1304954225 /nfs/dbraw/zinc/95/42/25/1304954225.db2.gz RWJQIUWFTZGXAS-UHFFFAOYSA-N 1 2 349.774 3.368 20 5 EGBDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncc1 ZINC000785679611 1305405328 /nfs/dbraw/zinc/40/53/28/1305405328.db2.gz VYNLPOPZVOKFFB-LBPRGKRZSA-N 1 2 338.323 3.094 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCCCC[C@H]2CO)cc1Br ZINC000895150375 1309212579 /nfs/dbraw/zinc/21/25/79/1309212579.db2.gz LHXJEGHFHVVBRP-VIFPVBQESA-N 1 2 349.250 3.156 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCCCC[C@H]2CO)cc1Br ZINC000895150375 1309212585 /nfs/dbraw/zinc/21/25/85/1309212585.db2.gz LHXJEGHFHVVBRP-VIFPVBQESA-N 1 2 349.250 3.156 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000793250541 1309331829 /nfs/dbraw/zinc/33/18/29/1309331829.db2.gz PITJVLJETNFLPI-UHFFFAOYSA-N 1 2 349.412 3.230 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000895493552 1309368669 /nfs/dbraw/zinc/36/86/69/1309368669.db2.gz SBTHSVPGZCFSQF-MRXNPFEDSA-N 1 2 347.802 3.434 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000895493552 1309368676 /nfs/dbraw/zinc/36/86/76/1309368676.db2.gz SBTHSVPGZCFSQF-MRXNPFEDSA-N 1 2 347.802 3.434 20 5 EGBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000793788819 1309442341 /nfs/dbraw/zinc/44/23/41/1309442341.db2.gz GRBBISNSIRUJOV-CYBMUJFWSA-N 1 2 338.820 3.269 20 5 EGBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000793788819 1309442343 /nfs/dbraw/zinc/44/23/43/1309442343.db2.gz GRBBISNSIRUJOV-CYBMUJFWSA-N 1 2 338.820 3.269 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000794616620 1309555569 /nfs/dbraw/zinc/55/55/69/1309555569.db2.gz MVMLVZMOXBCNET-LLVKDONJSA-N 1 2 345.380 3.359 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000794616620 1309555574 /nfs/dbraw/zinc/55/55/74/1309555574.db2.gz MVMLVZMOXBCNET-LLVKDONJSA-N 1 2 345.380 3.359 20 5 EGBDLO CCn1c[nH+]c2c1CCN(c1cc(C)nc3c1cccc3[N+](=O)[O-])C2 ZINC000896660086 1309962182 /nfs/dbraw/zinc/96/21/82/1309962182.db2.gz JYPLYAKYSKARRT-UHFFFAOYSA-N 1 2 337.383 3.231 20 5 EGBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC000801520309 1310953589 /nfs/dbraw/zinc/95/35/89/1310953589.db2.gz FIWDLDONWMSZHR-UHFFFAOYSA-N 1 2 347.365 3.191 20 5 EGBDLO O=[N+]([O-])c1cc(-c2cc(Cn3cc[nH+]c3)on2)ccc1N1CCCC1 ZINC000901397856 1317417704 /nfs/dbraw/zinc/41/77/04/1317417704.db2.gz GJCRUAKNXUJUNA-UHFFFAOYSA-N 1 2 339.355 3.095 20 5 EGBDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809966099 1317926474 /nfs/dbraw/zinc/92/64/74/1317926474.db2.gz WBIZCPMRPBROFI-NSHDSACASA-N 1 2 347.198 3.429 20 5 EGBDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809966099 1317926482 /nfs/dbraw/zinc/92/64/82/1317926482.db2.gz WBIZCPMRPBROFI-NSHDSACASA-N 1 2 347.198 3.429 20 5 EGBDLO Cc1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000849194097 1322096561 /nfs/dbraw/zinc/09/65/61/1322096561.db2.gz AQZPZWOSUGQJRP-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000864046711 1329594872 /nfs/dbraw/zinc/59/48/72/1329594872.db2.gz PJWMLLRPGSJDKC-UHFFFAOYSA-N 1 2 325.324 3.368 20 5 EGBDLO CC(C)(C)[C@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001120765630 1371749513 /nfs/dbraw/zinc/74/95/13/1371749513.db2.gz MTROKDIEEPJRCX-OAHLLOKOSA-N 1 2 328.372 3.041 20 5 EGBDLO O=[N+]([O-])c1ccccc1[C@H](OCC[NH+]1CCOCC1)c1ccccc1 ZINC001210225610 1372298289 /nfs/dbraw/zinc/29/82/89/1372298289.db2.gz VRBDWPHPDSWJNW-LJQANCHMSA-N 1 2 342.395 3.033 20 5 EGBDLO O=[N+]([O-])c1cc(Nc2cc(Br)cn3cc[nH+]c23)ccc1O ZINC001210392801 1372341833 /nfs/dbraw/zinc/34/18/33/1372341833.db2.gz JWKFPHIOAZKDSM-UHFFFAOYSA-N 1 2 349.144 3.454 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001211286702 1372521198 /nfs/dbraw/zinc/52/11/98/1372521198.db2.gz YPKNBOLMBNKRBJ-UHFFFAOYSA-N 1 2 328.372 3.003 20 5 EGBDLO O=[N+]([O-])c1ccc(F)c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001226266777 1375230382 /nfs/dbraw/zinc/23/03/82/1375230382.db2.gz XMZDWFDAYFQHHL-INIZCTEOSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(F)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001226266777 1375230384 /nfs/dbraw/zinc/23/03/84/1375230384.db2.gz XMZDWFDAYFQHHL-INIZCTEOSA-N 1 2 346.358 3.014 20 5 EGBDLO O=c1c2ccc(O)cc2oc2cc(O[C@H]3CCc4[nH+]ccn4C3)ccc12 ZINC001229513723 1375849528 /nfs/dbraw/zinc/84/95/28/1375849528.db2.gz CBNJNRKPPMNONU-AWEZNQCLSA-N 1 2 348.358 3.242 20 5 EGBDLO Cc1ccc(N2CCC[C@H](Oc3cc([N+](=O)[O-])c(C)cc3O)C2)[nH+]c1 ZINC001229755671 1375887401 /nfs/dbraw/zinc/88/74/01/1375887401.db2.gz ZKEBAWAUYDPNBK-AWEZNQCLSA-N 1 2 343.383 3.360 20 5 EGBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156784756 1380635143 /nfs/dbraw/zinc/63/51/43/1380635143.db2.gz TWTVLSOJQBZWRB-UHFFFAOYSA-N 1 2 348.366 3.293 20 5 EGBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC001157229855 1380818061 /nfs/dbraw/zinc/81/80/61/1380818061.db2.gz PVFUSEJOISGQSA-UHFFFAOYSA-N 1 2 325.303 3.314 20 5 EGBDLO COc1cc(NCCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1C ZINC001169005141 1384084566 /nfs/dbraw/zinc/08/45/66/1384084566.db2.gz YJLKNJIMMLVUAV-UHFFFAOYSA-N 1 2 326.356 3.214 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2nccs2)c1F ZINC001173195942 1384934226 /nfs/dbraw/zinc/93/42/26/1384934226.db2.gz KEVILWPWZJFNDP-SNVBAGLBSA-N 1 2 339.392 3.262 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)Cc2nccs2)c1F ZINC001173195942 1384934228 /nfs/dbraw/zinc/93/42/28/1384934228.db2.gz KEVILWPWZJFNDP-SNVBAGLBSA-N 1 2 339.392 3.262 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-] ZINC000181806825 234330594 /nfs/dbraw/zinc/33/05/94/234330594.db2.gz RZYSBPLLNHFCFH-LLVKDONJSA-N 1 2 328.328 3.397 20 5 EGBDLO C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000036764943 202046012 /nfs/dbraw/zinc/04/60/12/202046012.db2.gz GLHRILDUINEICC-JSGCOSHPSA-N 1 2 328.372 3.089 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)s1 ZINC000190311662 238382082 /nfs/dbraw/zinc/38/20/82/238382082.db2.gz DEHBSFXLFAUROS-UHFFFAOYSA-N 1 2 329.385 3.312 20 5 EGBDLO Cc1cc(N[C@@H]2CCC[C@@]2(C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000076060994 203334439 /nfs/dbraw/zinc/33/44/39/203334439.db2.gz NBYDIQPQZFJEOH-QAPCUYQASA-N 1 2 342.399 3.323 20 5 EGBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000043600943 204286971 /nfs/dbraw/zinc/28/69/71/204286971.db2.gz DLMNKZCXGZNSQV-SECBINFHSA-N 1 2 325.166 3.054 20 5 EGBDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000175252882 207109336 /nfs/dbraw/zinc/10/93/36/207109336.db2.gz ZYWXFRDKZHCLMH-QWRGUYRKSA-N 1 2 334.401 3.038 20 5 EGBDLO CC(=O)N1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC000346189680 141176562 /nfs/dbraw/zinc/17/65/62/141176562.db2.gz JXXWQMVMZLPPFB-UHFFFAOYSA-N 1 2 349.406 3.101 20 5 EGBDLO CC(=O)N1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC12CCCCC2 ZINC000346189680 141176566 /nfs/dbraw/zinc/17/65/66/141176566.db2.gz JXXWQMVMZLPPFB-UHFFFAOYSA-N 1 2 349.406 3.101 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000352925422 141270477 /nfs/dbraw/zinc/27/04/77/141270477.db2.gz PGMDMNLNQGVUDE-ZDUSSCGKSA-N 1 2 336.285 3.013 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000352925422 141270481 /nfs/dbraw/zinc/27/04/81/141270481.db2.gz PGMDMNLNQGVUDE-ZDUSSCGKSA-N 1 2 336.285 3.013 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000353464304 141303272 /nfs/dbraw/zinc/30/32/72/141303272.db2.gz UCAHDWPVQJGDLM-OAHLLOKOSA-N 1 2 328.397 3.269 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CCC2 ZINC000366684230 141527442 /nfs/dbraw/zinc/52/74/42/141527442.db2.gz DIMDKOKGAIMGAO-LLVKDONJSA-N 1 2 348.790 3.061 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000172849735 144030001 /nfs/dbraw/zinc/03/00/01/144030001.db2.gz AZWCKWMJEKEQCL-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000172849819 144030078 /nfs/dbraw/zinc/03/00/78/144030078.db2.gz OMEINEPHXPZIFD-UHFFFAOYSA-N 1 2 340.314 3.101 20 5 EGBDLO COc1cccc(NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000185168758 144106214 /nfs/dbraw/zinc/10/62/14/144106214.db2.gz QCDZHJFFXHSGQO-UHFFFAOYSA-N 1 2 338.367 3.460 20 5 EGBDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351931067 144321037 /nfs/dbraw/zinc/32/10/37/144321037.db2.gz NWHFAQXAOUEOGW-UHFFFAOYSA-N 1 2 326.356 3.197 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000195063660 153375655 /nfs/dbraw/zinc/37/56/55/153375655.db2.gz VJYAREHXWHJQKI-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000302172301 154025113 /nfs/dbraw/zinc/02/51/13/154025113.db2.gz MCSMJUZHDVPQMT-VNHYZAJKSA-N 1 2 342.399 3.335 20 5 EGBDLO CC[N@H+](Cc1ccccc1Cl)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000302966094 154031378 /nfs/dbraw/zinc/03/13/78/154031378.db2.gz REPPOWKHGLSVAA-UHFFFAOYSA-N 1 2 347.802 3.369 20 5 EGBDLO CC[N@@H+](Cc1ccccc1Cl)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000302966094 154031386 /nfs/dbraw/zinc/03/13/86/154031386.db2.gz REPPOWKHGLSVAA-UHFFFAOYSA-N 1 2 347.802 3.369 20 5 EGBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000345425319 156100233 /nfs/dbraw/zinc/10/02/33/156100233.db2.gz OGQXPGKPOXVGBB-ZDUSSCGKSA-N 1 2 342.399 3.289 20 5 EGBDLO O=C(CCC1CCCC1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000247324087 162948906 /nfs/dbraw/zinc/94/89/06/162948906.db2.gz MUWQGXUQBFFAKO-UHFFFAOYSA-N 1 2 345.443 3.209 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000305160206 163075549 /nfs/dbraw/zinc/07/55/49/163075549.db2.gz FAQBSUPHZAYBIL-OALUTQOASA-N 1 2 342.395 3.010 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000305160206 163075551 /nfs/dbraw/zinc/07/55/51/163075551.db2.gz FAQBSUPHZAYBIL-OALUTQOASA-N 1 2 342.395 3.010 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000338386933 163220334 /nfs/dbraw/zinc/22/03/34/163220334.db2.gz VPLWLMFAQGSLED-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000338386933 163220336 /nfs/dbraw/zinc/22/03/36/163220336.db2.gz VPLWLMFAQGSLED-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO CCc1[nH+]c2cc(CNc3ncc([N+](=O)[O-])s3)ccc2n1C1CC1 ZINC000338486379 163242466 /nfs/dbraw/zinc/24/24/66/163242466.db2.gz ZJBRWINIFCEUJP-UHFFFAOYSA-N 1 2 343.412 3.332 20 5 EGBDLO CCN(CC)c1ccc(CNc2cc(OC)ccc2[N+](=O)[O-])c[nH+]1 ZINC000338646081 163304324 /nfs/dbraw/zinc/30/43/24/163304324.db2.gz BBGGPYVWMKPFAA-UHFFFAOYSA-N 1 2 330.388 3.457 20 5 EGBDLO Cc1[nH+]c2ccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2n1C ZINC000354714300 166016230 /nfs/dbraw/zinc/01/62/30/166016230.db2.gz SPXPDELKBCOWTO-NSHDSACASA-N 1 2 338.367 3.281 20 5 EGBDLO Cn1nccc1C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000355296311 166156567 /nfs/dbraw/zinc/15/65/67/166156567.db2.gz SMNOKEZPNDEWGX-UHFFFAOYSA-N 1 2 326.356 3.220 20 5 EGBDLO Cn1nccc1C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000355296311 166156569 /nfs/dbraw/zinc/15/65/69/166156569.db2.gz SMNOKEZPNDEWGX-UHFFFAOYSA-N 1 2 326.356 3.220 20 5 EGBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000367289240 168201220 /nfs/dbraw/zinc/20/12/20/168201220.db2.gz JJUQSSNSCFHQTF-MRXNPFEDSA-N 1 2 345.786 3.035 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000274275297 267210048 /nfs/dbraw/zinc/21/00/48/267210048.db2.gz BQHWVVMXPRUCCP-KGLIPLIRSA-N 1 2 346.456 3.491 20 5 EGBDLO Cc1cc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000274314443 267215922 /nfs/dbraw/zinc/21/59/22/267215922.db2.gz RQIGXTXXYWPGQT-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000274332843 267219900 /nfs/dbraw/zinc/21/99/00/267219900.db2.gz WWVRGFXSBNFJEN-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ncn(C)n1 ZINC000275862134 267441243 /nfs/dbraw/zinc/44/12/43/267441243.db2.gz UGAONTATWINILV-LLVKDONJSA-N 1 2 343.412 3.303 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276400232 267536355 /nfs/dbraw/zinc/53/63/55/267536355.db2.gz KJTYTXAMTNQTFV-CYBMUJFWSA-N 1 2 343.387 3.346 20 5 EGBDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279918684 275375790 /nfs/dbraw/zinc/37/57/90/275375790.db2.gz WDZQWDPGQSNXFF-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279918684 275375791 /nfs/dbraw/zinc/37/57/91/275375791.db2.gz WDZQWDPGQSNXFF-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000281886850 275585690 /nfs/dbraw/zinc/58/56/90/275585690.db2.gz SNPXXPYANMFPKB-MRXNPFEDSA-N 1 2 342.399 3.487 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281967071 275592396 /nfs/dbraw/zinc/59/23/96/275592396.db2.gz LJEYHHKWQRPMFH-AWEZNQCLSA-N 1 2 345.359 3.451 20 5 EGBDLO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000286989274 276067413 /nfs/dbraw/zinc/06/74/13/276067413.db2.gz PHANITMARSPJFZ-OAHLLOKOSA-N 1 2 345.424 3.338 20 5 EGBDLO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000286989274 276067414 /nfs/dbraw/zinc/06/74/14/276067414.db2.gz PHANITMARSPJFZ-OAHLLOKOSA-N 1 2 345.424 3.338 20 5 EGBDLO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000286989272 276067427 /nfs/dbraw/zinc/06/74/27/276067427.db2.gz PHANITMARSPJFZ-HNNXBMFYSA-N 1 2 345.424 3.338 20 5 EGBDLO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000286989272 276067428 /nfs/dbraw/zinc/06/74/28/276067428.db2.gz PHANITMARSPJFZ-HNNXBMFYSA-N 1 2 345.424 3.338 20 5 EGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289020929 276280008 /nfs/dbraw/zinc/28/00/08/276280008.db2.gz NZFGAEPUUDBGDB-UHFFFAOYSA-N 1 2 344.371 3.201 20 5 EGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289020929 276280010 /nfs/dbraw/zinc/28/00/10/276280010.db2.gz NZFGAEPUUDBGDB-UHFFFAOYSA-N 1 2 344.371 3.201 20 5 EGBDLO CCc1cc(NCCCCOC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053572100 307335922 /nfs/dbraw/zinc/33/59/22/307335922.db2.gz NFESLFIHOUMXJJ-UHFFFAOYSA-N 1 2 330.388 3.453 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000065533288 307359307 /nfs/dbraw/zinc/35/93/07/307359307.db2.gz HWVYSXRBMCYEQW-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000065533288 307359308 /nfs/dbraw/zinc/35/93/08/307359308.db2.gz HWVYSXRBMCYEQW-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000255455071 308051103 /nfs/dbraw/zinc/05/11/03/308051103.db2.gz FYYYENQWILMEDL-AGLBCWCQSA-N 1 2 343.349 3.176 20 5 EGBDLO C[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000255455071 308051104 /nfs/dbraw/zinc/05/11/04/308051104.db2.gz FYYYENQWILMEDL-AGLBCWCQSA-N 1 2 343.349 3.176 20 5 EGBDLO CC[C@H](C)[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OC ZINC000294754838 308253485 /nfs/dbraw/zinc/25/34/85/308253485.db2.gz INRUVVVQEQVUTC-XKQJLSEDSA-N 1 2 346.431 3.068 20 5 EGBDLO Cc1cc(Cl)c(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000294946126 308274608 /nfs/dbraw/zinc/27/46/08/308274608.db2.gz AIBKXXAUXABPLZ-CYBMUJFWSA-N 1 2 336.779 3.407 20 5 EGBDLO Cc1c[nH+]ccc1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301848051 308718247 /nfs/dbraw/zinc/71/82/47/308718247.db2.gz NUQILLGKTIMSHA-UHFFFAOYSA-N 1 2 337.177 3.110 20 5 EGBDLO Cc1cc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)nc(C(C)C)[nH+]1 ZINC000302746357 308744108 /nfs/dbraw/zinc/74/41/08/308744108.db2.gz FMBRQLMIZQJUNB-UHFFFAOYSA-N 1 2 328.372 3.084 20 5 EGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000315201683 308765835 /nfs/dbraw/zinc/76/58/35/308765835.db2.gz QUSWVXCPKMEFSI-VHSXEESVSA-N 1 2 335.385 3.250 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412395173 308984487 /nfs/dbraw/zinc/98/44/87/308984487.db2.gz GWUZUKXNRHPKSK-GFCCVEGCSA-N 1 2 346.387 3.089 20 5 EGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc32)C[C@H]1n1cc[nH+]c1 ZINC000413203588 309021260 /nfs/dbraw/zinc/02/12/60/309021260.db2.gz XJXYKRMMMGLKJY-CXAGYDPISA-N 1 2 337.383 3.427 20 5 EGBDLO CC(C)Oc1cc(C(=O)Nc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000413213740 309021806 /nfs/dbraw/zinc/02/18/06/309021806.db2.gz JZVDCYWKFVCQRP-UHFFFAOYSA-N 1 2 344.371 3.095 20 5 EGBDLO CCOC(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000429257972 309575680 /nfs/dbraw/zinc/57/56/80/309575680.db2.gz TWECOPRFJDEOGM-UHFFFAOYSA-N 1 2 332.356 3.389 20 5 EGBDLO COc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000435637126 309737055 /nfs/dbraw/zinc/73/70/55/309737055.db2.gz MHMROOZATNPTRN-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000450066409 310101614 /nfs/dbraw/zinc/10/16/14/310101614.db2.gz LSPHMNZTVIWMQS-GASCZTMLSA-N 1 2 340.383 3.043 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C)C1 ZINC000450200276 310108307 /nfs/dbraw/zinc/10/83/07/310108307.db2.gz IQIMMESVEUSIFA-KGLIPLIRSA-N 1 2 342.399 3.289 20 5 EGBDLO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454624859 310320766 /nfs/dbraw/zinc/32/07/66/310320766.db2.gz WAWKYUNOBHYVNS-MBNYWOFBSA-N 1 2 343.387 3.166 20 5 EGBDLO C[C@H]1CCCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472030026 310757307 /nfs/dbraw/zinc/75/73/07/310757307.db2.gz PEJLRQKUDPJSNK-GOEBONIOSA-N 1 2 333.432 3.418 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(F)c1 ZINC000488986270 311087955 /nfs/dbraw/zinc/08/79/55/311087955.db2.gz SAIREWZCLNTKAJ-CQSZACIVSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(F)c1 ZINC000488986270 311087957 /nfs/dbraw/zinc/08/79/57/311087957.db2.gz SAIREWZCLNTKAJ-CQSZACIVSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489042884 311090382 /nfs/dbraw/zinc/09/03/82/311090382.db2.gz QCKVPDOZHWXHSB-GFCCVEGCSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000489042884 311090384 /nfs/dbraw/zinc/09/03/84/311090384.db2.gz QCKVPDOZHWXHSB-GFCCVEGCSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489042886 311090444 /nfs/dbraw/zinc/09/04/44/311090444.db2.gz QCKVPDOZHWXHSB-LBPRGKRZSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000489042886 311090447 /nfs/dbraw/zinc/09/04/47/311090447.db2.gz QCKVPDOZHWXHSB-LBPRGKRZSA-N 1 2 349.337 3.311 20 5 EGBDLO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000555338087 315379435 /nfs/dbraw/zinc/37/94/35/315379435.db2.gz XIMOMTQHIZSGMQ-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO COc1ccc2c(c1)CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000555338087 315379438 /nfs/dbraw/zinc/37/94/38/315379438.db2.gz XIMOMTQHIZSGMQ-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3sccc3Cl)CC2)cn1 ZINC000570530267 317069857 /nfs/dbraw/zinc/06/98/57/317069857.db2.gz CGRGMSCSGRVIAY-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000171614211 323242657 /nfs/dbraw/zinc/24/26/57/323242657.db2.gz YFGURJGYPMLRGQ-GFCCVEGCSA-N 1 2 332.331 3.006 20 5 EGBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000171614211 323242659 /nfs/dbraw/zinc/24/26/59/323242659.db2.gz YFGURJGYPMLRGQ-GFCCVEGCSA-N 1 2 332.331 3.006 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000172911813 323291551 /nfs/dbraw/zinc/29/15/51/323291551.db2.gz ULWOYVWHGVILNV-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000172911813 323291553 /nfs/dbraw/zinc/29/15/53/323291553.db2.gz ULWOYVWHGVILNV-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCS3)no2)cc1-n1cc[nH+]c1 ZINC000351084982 324166034 /nfs/dbraw/zinc/16/60/34/324166034.db2.gz QKJKPLQJPOGGRC-ZDUSSCGKSA-N 1 2 343.368 3.399 20 5 EGBDLO COc1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])cc1O ZINC000189587777 455220933 /nfs/dbraw/zinc/22/09/33/455220933.db2.gz MBXMSFKQGWBSAN-CYBMUJFWSA-N 1 2 348.330 3.062 20 5 EGBDLO CN(Cc1ccc(N)[nH+]c1)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342858394 457562233 /nfs/dbraw/zinc/56/22/33/457562233.db2.gz YSMPIXJSRPRLKX-UHFFFAOYSA-N 1 2 327.171 3.346 20 5 EGBDLO Cn1cc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cccc(F)c2)cn1 ZINC000180825034 455251655 /nfs/dbraw/zinc/25/16/55/455251655.db2.gz VQKAUIOPFUODPI-SFHVURJKSA-N 1 2 340.358 3.347 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264732657 455272218 /nfs/dbraw/zinc/27/22/18/455272218.db2.gz NXLMHDXZGLSGFQ-GFCCVEGCSA-N 1 2 329.360 3.038 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000265387505 455316497 /nfs/dbraw/zinc/31/64/97/455316497.db2.gz FCPWBJQVAFLHQT-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000265387505 455316502 /nfs/dbraw/zinc/31/65/02/455316502.db2.gz FCPWBJQVAFLHQT-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO CCn1c2ccccc2[nH+]c1NCc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000158913611 455336622 /nfs/dbraw/zinc/33/66/22/455336622.db2.gz XWJHQUBMHBNNAP-UHFFFAOYSA-N 1 2 342.355 3.291 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(N(C)C)cc[nH+]2)c1 ZINC000612345979 460600852 /nfs/dbraw/zinc/60/08/52/460600852.db2.gz AAWLUUWCXZMHMW-UHFFFAOYSA-N 1 2 332.385 3.030 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1F ZINC000017590931 453636351 /nfs/dbraw/zinc/63/63/51/453636351.db2.gz FJSJRRFHTANAAF-AWEZNQCLSA-N 1 2 327.319 3.064 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(F)cc1F ZINC000024954180 453752548 /nfs/dbraw/zinc/75/25/48/453752548.db2.gz LXDQCJVKMFXZLB-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(F)cc1F ZINC000024954180 453752552 /nfs/dbraw/zinc/75/25/52/453752552.db2.gz LXDQCJVKMFXZLB-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347348 453797666 /nfs/dbraw/zinc/79/76/66/453797666.db2.gz SQALMAASIXKFQY-CQSZACIVSA-N 1 2 327.384 3.362 20 5 EGBDLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347348 453797669 /nfs/dbraw/zinc/79/76/69/453797669.db2.gz SQALMAASIXKFQY-CQSZACIVSA-N 1 2 327.384 3.362 20 5 EGBDLO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000053231683 453866742 /nfs/dbraw/zinc/86/67/42/453866742.db2.gz QGJYBGNSZBMPGV-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000053231683 453866745 /nfs/dbraw/zinc/86/67/45/453866745.db2.gz QGJYBGNSZBMPGV-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000075542947 453902746 /nfs/dbraw/zinc/90/27/46/453902746.db2.gz LVEGZHIBZTVTLA-UHFFFAOYSA-N 1 2 325.328 3.434 20 5 EGBDLO CCc1cc(NC2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389463 453927416 /nfs/dbraw/zinc/92/74/16/453927416.db2.gz OPYKPWWRDUOILX-UHFFFAOYSA-N 1 2 342.399 3.330 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000067549029 453941618 /nfs/dbraw/zinc/94/16/18/453941618.db2.gz TYIRYNIGFPXMRT-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000070696269 454171917 /nfs/dbraw/zinc/17/19/17/454171917.db2.gz SDUYYOHGOBHBPX-HNAYVOBHSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000070696269 454171921 /nfs/dbraw/zinc/17/19/21/454171921.db2.gz SDUYYOHGOBHBPX-HNAYVOBHSA-N 1 2 342.395 3.436 20 5 EGBDLO CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598950 454264495 /nfs/dbraw/zinc/26/44/95/454264495.db2.gz ONQCAFPXCDYVKD-HNNXBMFYSA-N 1 2 335.448 3.358 20 5 EGBDLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598950 454264498 /nfs/dbraw/zinc/26/44/98/454264498.db2.gz ONQCAFPXCDYVKD-HNNXBMFYSA-N 1 2 335.448 3.358 20 5 EGBDLO Cc1cnc(N(C)Cc2[nH+]ccn2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000078670391 454295799 /nfs/dbraw/zinc/29/57/99/454295799.db2.gz OIQACLFKHRKTBA-UHFFFAOYSA-N 1 2 337.383 3.179 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000078736613 454309237 /nfs/dbraw/zinc/30/92/37/454309237.db2.gz PRZISJDXWOSWLE-SFHVURJKSA-N 1 2 339.395 3.222 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000078736613 454309242 /nfs/dbraw/zinc/30/92/42/454309242.db2.gz PRZISJDXWOSWLE-SFHVURJKSA-N 1 2 339.395 3.222 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000060759840 454313095 /nfs/dbraw/zinc/31/30/95/454313095.db2.gz LFGZYSWSNGPUGB-UHFFFAOYSA-N 1 2 342.399 3.074 20 5 EGBDLO Cc1ccnc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000120889984 454361828 /nfs/dbraw/zinc/36/18/28/454361828.db2.gz YTMLRTCKFHYMIB-GQCTYLIASA-N 1 2 338.411 3.134 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3ccsc3C2)cccc1[N+](=O)[O-] ZINC000132747901 454362353 /nfs/dbraw/zinc/36/23/53/454362353.db2.gz QEVTUWSHAOZEGA-LBPRGKRZSA-N 1 2 345.424 3.350 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3ccsc3C2)cccc1[N+](=O)[O-] ZINC000132747901 454362356 /nfs/dbraw/zinc/36/23/56/454362356.db2.gz QEVTUWSHAOZEGA-LBPRGKRZSA-N 1 2 345.424 3.350 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000063587855 454426379 /nfs/dbraw/zinc/42/63/79/454426379.db2.gz SDUYYOHGOBHBPX-KXBFYZLASA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000063587855 454426386 /nfs/dbraw/zinc/42/63/86/454426386.db2.gz SDUYYOHGOBHBPX-KXBFYZLASA-N 1 2 342.395 3.436 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121618235 454458642 /nfs/dbraw/zinc/45/86/42/454458642.db2.gz IKYWTCWLBFEKOH-IBGZPJMESA-N 1 2 342.395 3.351 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121618235 454458648 /nfs/dbraw/zinc/45/86/48/454458648.db2.gz IKYWTCWLBFEKOH-IBGZPJMESA-N 1 2 342.395 3.351 20 5 EGBDLO CC(C)CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000091964805 454497982 /nfs/dbraw/zinc/49/79/82/454497982.db2.gz LNSYKTYNAMCWCS-CQSZACIVSA-N 1 2 344.358 3.443 20 5 EGBDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000091964805 454497985 /nfs/dbraw/zinc/49/79/85/454497985.db2.gz LNSYKTYNAMCWCS-CQSZACIVSA-N 1 2 344.358 3.443 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000102411003 454503931 /nfs/dbraw/zinc/50/39/31/454503931.db2.gz QZNOHNIWCTZXBG-UHFFFAOYSA-N 1 2 327.340 3.377 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000102411003 454503933 /nfs/dbraw/zinc/50/39/33/454503933.db2.gz QZNOHNIWCTZXBG-UHFFFAOYSA-N 1 2 327.340 3.377 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225362 454648121 /nfs/dbraw/zinc/64/81/21/454648121.db2.gz XPVGVJJRNNSMBV-HUUCEWRRSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225362 454648127 /nfs/dbraw/zinc/64/81/27/454648127.db2.gz XPVGVJJRNNSMBV-HUUCEWRRSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000266910175 455473634 /nfs/dbraw/zinc/47/36/34/455473634.db2.gz LIMMMQFMHVAPQP-GFCCVEGCSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000162946877 454811546 /nfs/dbraw/zinc/81/15/46/454811546.db2.gz QJAGTPHBEZRTGF-KBPBESRZSA-N 1 2 342.399 3.289 20 5 EGBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000143411502 454842882 /nfs/dbraw/zinc/84/28/82/454842882.db2.gz BTKXTNWEIPXJON-UHFFFAOYSA-N 1 2 326.400 3.241 20 5 EGBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000143411502 454842885 /nfs/dbraw/zinc/84/28/85/454842885.db2.gz BTKXTNWEIPXJON-UHFFFAOYSA-N 1 2 326.400 3.241 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000178506275 454957480 /nfs/dbraw/zinc/95/74/80/454957480.db2.gz SAMWOXJNGKAYBF-INIZCTEOSA-N 1 2 344.415 3.236 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000178506275 454957484 /nfs/dbraw/zinc/95/74/84/454957484.db2.gz SAMWOXJNGKAYBF-INIZCTEOSA-N 1 2 344.415 3.236 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000245519636 455320543 /nfs/dbraw/zinc/32/05/43/455320543.db2.gz ITYCAKLYPNNVSY-IUODEOHRSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000245519636 455320550 /nfs/dbraw/zinc/32/05/50/455320550.db2.gz ITYCAKLYPNNVSY-IUODEOHRSA-N 1 2 333.413 3.494 20 5 EGBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000247500189 455612850 /nfs/dbraw/zinc/61/28/50/455612850.db2.gz IAVPIUNDQXBGIB-LALPHHSUSA-N 1 2 346.387 3.205 20 5 EGBDLO CC[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000247500189 455612854 /nfs/dbraw/zinc/61/28/54/455612854.db2.gz IAVPIUNDQXBGIB-LALPHHSUSA-N 1 2 346.387 3.205 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000192506658 455633314 /nfs/dbraw/zinc/63/33/14/455633314.db2.gz TXPKFFWHMDQCFE-UHFFFAOYSA-N 1 2 344.419 3.117 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)[nH]1 ZINC000268417402 455677822 /nfs/dbraw/zinc/67/78/22/455677822.db2.gz BYPUOWOJQUORJY-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)[nH]1 ZINC000268417402 455677827 /nfs/dbraw/zinc/67/78/27/455677827.db2.gz BYPUOWOJQUORJY-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000268417402 455677831 /nfs/dbraw/zinc/67/78/31/455677831.db2.gz BYPUOWOJQUORJY-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000268417402 455677836 /nfs/dbraw/zinc/67/78/36/455677836.db2.gz BYPUOWOJQUORJY-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n[nH]1 ZINC000268417402 455677840 /nfs/dbraw/zinc/67/78/40/455677840.db2.gz BYPUOWOJQUORJY-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n[nH]1 ZINC000268417402 455677845 /nfs/dbraw/zinc/67/78/45/455677845.db2.gz BYPUOWOJQUORJY-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250115284 455784840 /nfs/dbraw/zinc/78/48/40/455784840.db2.gz PDEKHXVQNZXYEN-VXGBXAGGSA-N 1 2 346.387 3.205 20 5 EGBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250115284 455784846 /nfs/dbraw/zinc/78/48/46/455784846.db2.gz PDEKHXVQNZXYEN-VXGBXAGGSA-N 1 2 346.387 3.205 20 5 EGBDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174692 455812054 /nfs/dbraw/zinc/81/20/54/455812054.db2.gz SHBOZORFPYTOLG-GDBMZVCRSA-N 1 2 333.432 3.064 20 5 EGBDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174692 455812056 /nfs/dbraw/zinc/81/20/56/455812056.db2.gz SHBOZORFPYTOLG-GDBMZVCRSA-N 1 2 333.432 3.064 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285444138 455846596 /nfs/dbraw/zinc/84/65/96/455846596.db2.gz XWBYHMLOQFWVHC-CYBMUJFWSA-N 1 2 341.367 3.304 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC=C(c2ccco2)C1 ZINC000285444138 455846602 /nfs/dbraw/zinc/84/66/02/455846602.db2.gz XWBYHMLOQFWVHC-CYBMUJFWSA-N 1 2 341.367 3.304 20 5 EGBDLO Cc1csc([C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000195389396 455954513 /nfs/dbraw/zinc/95/45/13/455954513.db2.gz OGBLTOFSYQOFMB-SWLSCSKDSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1csc([C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000195389396 455954515 /nfs/dbraw/zinc/95/45/15/455954515.db2.gz OGBLTOFSYQOFMB-SWLSCSKDSA-N 1 2 333.413 3.494 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000195506825 455972417 /nfs/dbraw/zinc/97/24/17/455972417.db2.gz HVYDQLCRGQUOED-GFCCVEGCSA-N 1 2 333.348 3.125 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCCCCC3)[nH+]c2)s1 ZINC000195509282 455973731 /nfs/dbraw/zinc/97/37/31/455973731.db2.gz HMOANKBHGZMNJV-UHFFFAOYSA-N 1 2 333.417 3.439 20 5 EGBDLO CCn1c2ccccc2[nH+]c1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000301456179 456120013 /nfs/dbraw/zinc/12/00/13/456120013.db2.gz RXQQKSJOLARNMU-UHFFFAOYSA-N 1 2 325.372 3.322 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000297808351 456299885 /nfs/dbraw/zinc/29/98/85/456299885.db2.gz SZHSFHVWACADTC-CYBMUJFWSA-N 1 2 348.790 3.205 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000340191107 456303509 /nfs/dbraw/zinc/30/35/09/456303509.db2.gz HKCYAPTWYLHTEG-OLZOCXBDSA-N 1 2 336.285 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000340191107 456303517 /nfs/dbraw/zinc/30/35/17/456303517.db2.gz HKCYAPTWYLHTEG-OLZOCXBDSA-N 1 2 336.285 3.012 20 5 EGBDLO COc1cc(C[NH2+]Cc2cccc(F)c2F)c([N+](=O)[O-])cc1OC ZINC000601141869 460729662 /nfs/dbraw/zinc/72/96/62/460729662.db2.gz JKDWKXTVCZVXQM-UHFFFAOYSA-N 1 2 338.310 3.180 20 5 EGBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276280675 456433247 /nfs/dbraw/zinc/43/32/47/456433247.db2.gz FTZROEKWDNGRLP-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276280675 456433254 /nfs/dbraw/zinc/43/32/54/456433254.db2.gz FTZROEKWDNGRLP-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(CNc3ccc(CO)c[nH+]3)cs2)c1 ZINC000340563235 456532510 /nfs/dbraw/zinc/53/25/10/456532510.db2.gz WMMXOTGWELCZKW-UHFFFAOYSA-N 1 2 342.380 3.218 20 5 EGBDLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348317208 456618677 /nfs/dbraw/zinc/61/86/77/456618677.db2.gz AGUAGSKPDAQHHE-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348317208 456618686 /nfs/dbraw/zinc/61/86/86/456618686.db2.gz AGUAGSKPDAQHHE-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccco1)C(C)C ZINC000299379830 456674728 /nfs/dbraw/zinc/67/47/28/456674728.db2.gz NHLQVFSGUSWBHV-UHFFFAOYSA-N 1 2 347.371 3.046 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccco1)C(C)C ZINC000299379830 456674736 /nfs/dbraw/zinc/67/47/36/456674736.db2.gz NHLQVFSGUSWBHV-UHFFFAOYSA-N 1 2 347.371 3.046 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1F ZINC000283272430 456749797 /nfs/dbraw/zinc/74/97/97/456749797.db2.gz WSGHOQBZVLGEOC-ZDUSSCGKSA-N 1 2 345.378 3.109 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1F ZINC000283272430 456749804 /nfs/dbraw/zinc/74/98/04/456749804.db2.gz WSGHOQBZVLGEOC-ZDUSSCGKSA-N 1 2 345.378 3.109 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000340972906 456792440 /nfs/dbraw/zinc/79/24/40/456792440.db2.gz FOLRXXRSMRIKQU-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)c1 ZINC000340972906 456792445 /nfs/dbraw/zinc/79/24/45/456792445.db2.gz FOLRXXRSMRIKQU-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO Nc1nc(Nc2ccc([NH2+]CC3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000301164554 456810414 /nfs/dbraw/zinc/81/04/14/456810414.db2.gz QUKADNGWKNDICB-UHFFFAOYSA-N 1 2 328.376 3.313 20 5 EGBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000350939095 457212916 /nfs/dbraw/zinc/21/29/16/457212916.db2.gz LGCDRXSOVVDTQS-SFHVURJKSA-N 1 2 330.359 3.480 20 5 EGBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000350939095 457212925 /nfs/dbraw/zinc/21/29/25/457212925.db2.gz LGCDRXSOVVDTQS-SFHVURJKSA-N 1 2 330.359 3.480 20 5 EGBDLO COCc1cc(NCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2[nH+]1 ZINC000357170663 457356575 /nfs/dbraw/zinc/35/65/75/457356575.db2.gz KCFPXJIKFWRELT-UHFFFAOYSA-N 1 2 341.342 3.463 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371424471 457924656 /nfs/dbraw/zinc/92/46/56/457924656.db2.gz HQSLNWWTJDQAHS-OAHLLOKOSA-N 1 2 330.388 3.442 20 5 EGBDLO COc1cccc(N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000358622917 458113725 /nfs/dbraw/zinc/11/37/25/458113725.db2.gz AURLDCRGLJYHCO-UHFFFAOYSA-N 1 2 344.415 3.497 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437585784 458471392 /nfs/dbraw/zinc/47/13/92/458471392.db2.gz XCBLHABTSUPQCV-DYVFJYSZSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437585784 458471394 /nfs/dbraw/zinc/47/13/94/458471394.db2.gz XCBLHABTSUPQCV-DYVFJYSZSA-N 1 2 325.368 3.369 20 5 EGBDLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000437896788 458508545 /nfs/dbraw/zinc/50/85/45/458508545.db2.gz QNPDAOWLWFOFRX-AWEZNQCLSA-N 1 2 342.399 3.066 20 5 EGBDLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000437896788 458508550 /nfs/dbraw/zinc/50/85/50/458508550.db2.gz QNPDAOWLWFOFRX-AWEZNQCLSA-N 1 2 342.399 3.066 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456348797 458638697 /nfs/dbraw/zinc/63/86/97/458638697.db2.gz INNISVRWEGLTSA-HIFRSBDPSA-N 1 2 344.415 3.257 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000456385771 458658398 /nfs/dbraw/zinc/65/83/98/458658398.db2.gz MLMAJWVQHVOIES-JTQLQIEISA-N 1 2 334.401 3.024 20 5 EGBDLO Cc1cc(C)c(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000456862122 458804981 /nfs/dbraw/zinc/80/49/81/458804981.db2.gz PJSLNNIAIJTIQX-ZDUSSCGKSA-N 1 2 345.424 3.404 20 5 EGBDLO Cc1cc2ccccc2[nH+]c1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532015102 459018061 /nfs/dbraw/zinc/01/80/61/459018061.db2.gz PNCDJTOCBSMXRF-UHFFFAOYSA-N 1 2 349.394 3.173 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000595036097 459224661 /nfs/dbraw/zinc/22/46/61/459224661.db2.gz OXOUGTFJKUTCLR-QWRGUYRKSA-N 1 2 333.392 3.257 20 5 EGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307219 459273410 /nfs/dbraw/zinc/27/34/10/459273410.db2.gz JKRRKHYPACTQCP-UHFFFAOYSA-N 1 2 346.284 3.125 20 5 EGBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590967245 459285326 /nfs/dbraw/zinc/28/53/26/459285326.db2.gz UQZBSWIUPBVKKX-OKILXGFUSA-N 1 2 343.408 3.414 20 5 EGBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590967245 459285328 /nfs/dbraw/zinc/28/53/28/459285328.db2.gz UQZBSWIUPBVKKX-OKILXGFUSA-N 1 2 343.408 3.414 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568450320 459288848 /nfs/dbraw/zinc/28/88/48/459288848.db2.gz SWMAZXPQAUKPGL-PBHICJAKSA-N 1 2 334.416 3.385 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568450320 459288851 /nfs/dbraw/zinc/28/88/51/459288851.db2.gz SWMAZXPQAUKPGL-PBHICJAKSA-N 1 2 334.416 3.385 20 5 EGBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]2C ZINC000595426620 459297212 /nfs/dbraw/zinc/29/72/12/459297212.db2.gz QMNMSKWVHMKPSD-JQWIXIFHSA-N 1 2 331.372 3.408 20 5 EGBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]2C ZINC000595426620 459297218 /nfs/dbraw/zinc/29/72/18/459297218.db2.gz QMNMSKWVHMKPSD-JQWIXIFHSA-N 1 2 331.372 3.408 20 5 EGBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595522361 459333382 /nfs/dbraw/zinc/33/33/82/459333382.db2.gz AODMPFDQEHOXEG-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595522361 459333384 /nfs/dbraw/zinc/33/33/84/459333384.db2.gz AODMPFDQEHOXEG-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000595759176 459428887 /nfs/dbraw/zinc/42/88/87/459428887.db2.gz IQSLAVBHQYSFPX-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C2 ZINC000595759176 459428890 /nfs/dbraw/zinc/42/88/90/459428890.db2.gz IQSLAVBHQYSFPX-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO Cc1cccc2[nH+]c(CCNc3c4c(ccc3[N+](=O)[O-])NCC4)cn21 ZINC000592005690 459509728 /nfs/dbraw/zinc/50/97/28/459509728.db2.gz DUZZSXKHZXNYHK-UHFFFAOYSA-N 1 2 337.383 3.174 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](CC)CO1 ZINC000593058495 459759457 /nfs/dbraw/zinc/75/94/57/459759457.db2.gz MWSUBSPPFWNWCG-DZGCQCFKSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](CC)CO1 ZINC000593058495 459759462 /nfs/dbraw/zinc/75/94/62/459759462.db2.gz MWSUBSPPFWNWCG-DZGCQCFKSA-N 1 2 346.387 3.034 20 5 EGBDLO COc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)c([N+](=O)[O-])cc1O ZINC000608781932 459881733 /nfs/dbraw/zinc/88/17/33/459881733.db2.gz GAMCFAMDZAKVBJ-GXFFZTMASA-N 1 2 332.356 3.315 20 5 EGBDLO COc1cc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)c([N+](=O)[O-])cc1O ZINC000608781933 459881798 /nfs/dbraw/zinc/88/17/98/459881798.db2.gz GAMCFAMDZAKVBJ-MFKMUULPSA-N 1 2 332.356 3.315 20 5 EGBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CO1 ZINC000593490712 459905084 /nfs/dbraw/zinc/90/50/84/459905084.db2.gz DYDXYMDHWRXUPP-CZUORRHYSA-N 1 2 342.399 3.364 20 5 EGBDLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602589201 460012510 /nfs/dbraw/zinc/01/25/10/460012510.db2.gz DVQOASQNPBVKQS-RKDXNWHRSA-N 1 2 349.250 3.012 20 5 EGBDLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602589201 460012517 /nfs/dbraw/zinc/01/25/17/460012517.db2.gz DVQOASQNPBVKQS-RKDXNWHRSA-N 1 2 349.250 3.012 20 5 EGBDLO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602589200 460012697 /nfs/dbraw/zinc/01/26/97/460012697.db2.gz DVQOASQNPBVKQS-IUCAKERBSA-N 1 2 349.250 3.012 20 5 EGBDLO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602589200 460012704 /nfs/dbraw/zinc/01/27/04/460012704.db2.gz DVQOASQNPBVKQS-IUCAKERBSA-N 1 2 349.250 3.012 20 5 EGBDLO CC[C@@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000597664669 460023020 /nfs/dbraw/zinc/02/30/20/460023020.db2.gz BFCFXBJHXJXVCH-GJZGRUSLSA-N 1 2 349.431 3.040 20 5 EGBDLO CC[C@@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[N@H+]1CCO[C@@H](CC)C1 ZINC000597664669 460023028 /nfs/dbraw/zinc/02/30/28/460023028.db2.gz BFCFXBJHXJXVCH-GJZGRUSLSA-N 1 2 349.431 3.040 20 5 EGBDLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602693403 460068409 /nfs/dbraw/zinc/06/84/09/460068409.db2.gz LZRYQEUSQMMEKO-IUCAKERBSA-N 1 2 349.250 3.012 20 5 EGBDLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602693403 460068417 /nfs/dbraw/zinc/06/84/17/460068417.db2.gz LZRYQEUSQMMEKO-IUCAKERBSA-N 1 2 349.250 3.012 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC000589494383 460095268 /nfs/dbraw/zinc/09/52/68/460095268.db2.gz ANTOQBQVYZPKQK-UHFFFAOYSA-N 1 2 344.367 3.022 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cccc(OC)c2)c1 ZINC000589494383 460095270 /nfs/dbraw/zinc/09/52/70/460095270.db2.gz ANTOQBQVYZPKQK-UHFFFAOYSA-N 1 2 344.367 3.022 20 5 EGBDLO CCc1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc[nH+]1 ZINC000618686384 460126701 /nfs/dbraw/zinc/12/67/01/460126701.db2.gz LOVPFTVFJPSFIR-UHFFFAOYSA-N 1 2 326.278 3.000 20 5 EGBDLO CCC[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000599062572 460146681 /nfs/dbraw/zinc/14/66/81/460146681.db2.gz ZTBXMBDTCJWIAM-IRXDYDNUSA-N 1 2 346.431 3.213 20 5 EGBDLO C[C@H]1CC[C@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)O1 ZINC000599177720 460189564 /nfs/dbraw/zinc/18/95/64/460189564.db2.gz VFANNGKLBRVIGJ-IINYFYTJSA-N 1 2 341.327 3.071 20 5 EGBDLO Cc1occc1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000611560260 460399030 /nfs/dbraw/zinc/39/90/30/460399030.db2.gz XLHXNKQCIYIUTG-MRXNPFEDSA-N 1 2 326.356 3.109 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000604525279 460441020 /nfs/dbraw/zinc/44/10/20/460441020.db2.gz GFUMVQVSRGBYDZ-UHFFFAOYSA-N 1 2 344.293 3.419 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000604525279 460441024 /nfs/dbraw/zinc/44/10/24/460441024.db2.gz GFUMVQVSRGBYDZ-UHFFFAOYSA-N 1 2 344.293 3.419 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000616122824 460478305 /nfs/dbraw/zinc/47/83/05/460478305.db2.gz VYTZACNZQNTCDF-AWEZNQCLSA-N 1 2 343.387 3.277 20 5 EGBDLO Cc1ccncc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611940034 460492333 /nfs/dbraw/zinc/49/23/33/460492333.db2.gz YXXUOUKJGDSYPQ-GFCCVEGCSA-N 1 2 339.355 3.199 20 5 EGBDLO Cc1nc(NCCOc2ccc([N+](=O)[O-])cc2)c2c([nH+]1)CCCC2 ZINC000541091280 468375970 /nfs/dbraw/zinc/37/59/70/468375970.db2.gz XQHXQRXTZUFXPQ-UHFFFAOYSA-N 1 2 328.372 3.063 20 5 EGBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000729338107 574843955 /nfs/dbraw/zinc/84/39/55/574843955.db2.gz PNWYAGZVWOVFIN-HWYHOQROSA-N 1 2 342.399 3.036 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H](n4cc[nH+]c4)C3)sc2c1 ZINC000731210475 575060335 /nfs/dbraw/zinc/06/03/35/575060335.db2.gz YKGLVPZRVSNLLV-GFCCVEGCSA-N 1 2 329.385 3.243 20 5 EGBDLO CC[C@@]1(C)CCC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743386459 576807867 /nfs/dbraw/zinc/80/78/67/576807867.db2.gz GPHIQXBAHHRZJP-LBPRGKRZSA-N 1 2 331.214 3.023 20 5 EGBDLO CC[C@@]1(C)CCC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743386459 576807868 /nfs/dbraw/zinc/80/78/68/576807868.db2.gz GPHIQXBAHHRZJP-LBPRGKRZSA-N 1 2 331.214 3.023 20 5 EGBDLO O=C(OCc1cccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072869076 1292296193 /nfs/dbraw/zinc/29/61/93/1292296193.db2.gz JKYVHHPKXGOAGV-UHFFFAOYSA-N 1 2 329.337 3.199 20 5 EGBDLO O=C(OC[C@H]1CCCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835436001 1293291228 /nfs/dbraw/zinc/29/12/28/1293291228.db2.gz XAEUWNCOYOYYBX-GFCCVEGCSA-N 1 2 347.396 3.081 20 5 EGBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749544530 1299234032 /nfs/dbraw/zinc/23/40/32/1299234032.db2.gz XJEWOHOJWQURAU-OAHLLOKOSA-N 1 2 334.807 3.491 20 5 EGBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749544530 1299234040 /nfs/dbraw/zinc/23/40/40/1299234040.db2.gz XJEWOHOJWQURAU-OAHLLOKOSA-N 1 2 334.807 3.491 20 5 EGBDLO CCCCC[N@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C(C)C ZINC000755264790 1300310791 /nfs/dbraw/zinc/31/07/91/1300310791.db2.gz QZRHKMLOILZGCN-UHFFFAOYSA-N 1 2 348.403 3.270 20 5 EGBDLO CCCCC[N@@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C(C)C ZINC000755264790 1300310804 /nfs/dbraw/zinc/31/08/04/1300310804.db2.gz QZRHKMLOILZGCN-UHFFFAOYSA-N 1 2 348.403 3.270 20 5 EGBDLO C[C@H]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000759140848 1301023701 /nfs/dbraw/zinc/02/37/01/1301023701.db2.gz WOWDKENTNOZZPZ-WFASDCNBSA-N 1 2 345.428 3.071 20 5 EGBDLO CN(Cc1ccccc1[N+](=O)[O-])c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766391356 1302442427 /nfs/dbraw/zinc/44/24/27/1302442427.db2.gz FFGGVQWWTZXEOR-UHFFFAOYSA-N 1 2 340.387 3.126 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769753573 1303169781 /nfs/dbraw/zinc/16/97/81/1303169781.db2.gz MYFFDRXTLKRLRH-GFCCVEGCSA-N 1 2 348.790 3.002 20 5 EGBDLO C[NH+](C)c1ccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774311430 1303796558 /nfs/dbraw/zinc/79/65/58/1303796558.db2.gz FCDCMCCYUDFSLJ-JKSUJKDBSA-N 1 2 329.404 3.453 20 5 EGBDLO C[NH+](C)c1ccc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774311425 1303796732 /nfs/dbraw/zinc/79/67/32/1303796732.db2.gz FCDCMCCYUDFSLJ-HOTGVXAUSA-N 1 2 329.404 3.453 20 5 EGBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793241615 1309326651 /nfs/dbraw/zinc/32/66/51/1309326651.db2.gz KXYBXIIBUTXUEB-UHFFFAOYSA-N 1 2 331.372 3.025 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+](Cc1cccs1)C1CC1 ZINC000794615937 1309555308 /nfs/dbraw/zinc/55/53/08/1309555308.db2.gz AFLYATGMVZNWDC-UHFFFAOYSA-N 1 2 345.380 3.186 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+](Cc1cccs1)C1CC1 ZINC000794615937 1309555317 /nfs/dbraw/zinc/55/53/17/1309555317.db2.gz AFLYATGMVZNWDC-UHFFFAOYSA-N 1 2 345.380 3.186 20 5 EGBDLO Cc1cccn2cc(CC(=O)Nc3c(C)c([N+](=O)[O-])ccc3F)[nH+]c12 ZINC000800143682 1310681439 /nfs/dbraw/zinc/68/14/39/1310681439.db2.gz JTOPRDNWQYCARJ-UHFFFAOYSA-N 1 2 342.330 3.180 20 5 EGBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCCCNc1cccc[nH+]1 ZINC000804417263 1317232959 /nfs/dbraw/zinc/23/29/59/1317232959.db2.gz YFVHJNBHZAGHOH-UHFFFAOYSA-N 1 2 331.332 3.202 20 5 EGBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccn1 ZINC000809734165 1317883604 /nfs/dbraw/zinc/88/36/04/1317883604.db2.gz ANZPCQCSZUDINK-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccn1 ZINC000809734165 1317883607 /nfs/dbraw/zinc/88/36/07/1317883607.db2.gz ANZPCQCSZUDINK-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO CCOC1CC([N@H+](C)Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809774581 1317895891 /nfs/dbraw/zinc/89/58/91/1317895891.db2.gz UYAYGRIIGIEQQB-UHFFFAOYSA-N 1 2 343.221 3.357 20 5 EGBDLO CCOC1CC([N@@H+](C)Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809774581 1317895896 /nfs/dbraw/zinc/89/58/96/1317895896.db2.gz UYAYGRIIGIEQQB-UHFFFAOYSA-N 1 2 343.221 3.357 20 5 EGBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000912861320 1318945350 /nfs/dbraw/zinc/94/53/50/1318945350.db2.gz RCDVYXSYPYIZTC-UHFFFAOYSA-N 1 2 343.412 3.238 20 5 EGBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@H](C3CCCC3)C2)cc1Br ZINC000817368419 1319342141 /nfs/dbraw/zinc/34/21/41/1319342141.db2.gz IDIJSNAZJZFJRM-NSHDSACASA-N 1 2 343.225 3.023 20 5 EGBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@H](C3CCCC3)C2)cc1Br ZINC000817368419 1319342150 /nfs/dbraw/zinc/34/21/50/1319342150.db2.gz IDIJSNAZJZFJRM-NSHDSACASA-N 1 2 343.225 3.023 20 5 EGBDLO CC(=O)CCCCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101296 1320727991 /nfs/dbraw/zinc/72/79/91/1320727991.db2.gz JPDNHTCCJIEZQR-UHFFFAOYSA-N 1 2 345.355 3.087 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)cs2)c1 ZINC000846108638 1321768370 /nfs/dbraw/zinc/76/83/70/1321768370.db2.gz AZPXODDVEMKSFI-BETUJISGSA-N 1 2 337.351 3.415 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)cs2)c1 ZINC000846108638 1321768375 /nfs/dbraw/zinc/76/83/75/1321768375.db2.gz AZPXODDVEMKSFI-BETUJISGSA-N 1 2 337.351 3.415 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927108202 1327868831 /nfs/dbraw/zinc/86/88/31/1327868831.db2.gz PMAMNDGQWBUZLV-LLVKDONJSA-N 1 2 330.388 3.065 20 5 EGBDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029210564 1340955536 /nfs/dbraw/zinc/95/55/36/1340955536.db2.gz LFXZXIGFZDQOFX-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029210564 1340955538 /nfs/dbraw/zinc/95/55/38/1340955538.db2.gz LFXZXIGFZDQOFX-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO Nc1ccc2n(-c3ccn4cc[nH+]c4c3)c3ccccc3cc-2c1=O ZINC001204997664 1370624359 /nfs/dbraw/zinc/62/43/59/1370624359.db2.gz MJOJXPDSCMGLOK-UHFFFAOYSA-N 1 2 326.359 3.325 20 5 EGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116429140 1370909908 /nfs/dbraw/zinc/90/99/08/1370909908.db2.gz LAOFJCTUIBGKPT-UHFFFAOYSA-N 1 2 338.371 3.010 20 5 EGBDLO CCC[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001120791005 1371760694 /nfs/dbraw/zinc/76/06/94/1371760694.db2.gz LWSIVUAHIOBBET-CQSZACIVSA-N 1 2 328.372 3.185 20 5 EGBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156783994 1380634974 /nfs/dbraw/zinc/63/49/74/1380634974.db2.gz LOCXLWBECRVVNZ-UHFFFAOYSA-N 1 2 348.366 3.293 20 5 EGBDLO O=[N+]([O-])c1ccc2ncc(NCc3c[nH+]cn3CC3CCC3)nc2c1 ZINC001161529738 1382431426 /nfs/dbraw/zinc/43/14/26/1382431426.db2.gz NDYLZXCJQQRMAS-UHFFFAOYSA-N 1 2 338.371 3.147 20 5 EGBDLO O=[N+]([O-])c1c[nH]c2ccc(NCc3c[nH+]cn3CC3CCC3)nc21 ZINC001161533468 1382433314 /nfs/dbraw/zinc/43/33/14/1382433314.db2.gz RKEDMFILYNSADH-UHFFFAOYSA-N 1 2 326.360 3.080 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2ncc([N+](=O)[O-])c(C)c2C)c1 ZINC001162129692 1382633990 /nfs/dbraw/zinc/63/39/90/1382633990.db2.gz NKBPXAAWDSWGMX-UHFFFAOYSA-N 1 2 330.388 3.400 20 5 EGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001173232459 1384941593 /nfs/dbraw/zinc/94/15/93/1384941593.db2.gz GSSVJRNVMGYURL-ZDUSSCGKSA-N 1 2 349.431 3.125 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000189782494 296152781 /nfs/dbraw/zinc/15/27/81/296152781.db2.gz GVWKPCIASDAMIR-OLZOCXBDSA-N 1 2 344.419 3.498 20 5 EGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000023668359 296227702 /nfs/dbraw/zinc/22/77/02/296227702.db2.gz AAHJQAMVOUUEPR-JTQLQIEISA-N 1 2 349.337 3.165 20 5 EGBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000023668359 296227704 /nfs/dbraw/zinc/22/77/04/296227704.db2.gz AAHJQAMVOUUEPR-JTQLQIEISA-N 1 2 349.337 3.165 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000266524014 248344623 /nfs/dbraw/zinc/34/46/23/248344623.db2.gz JUXQCZCESMSVHP-HZPDHXFCSA-N 1 2 340.427 3.430 20 5 EGBDLO C[C@H](c1cccnc1)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266524014 248344625 /nfs/dbraw/zinc/34/46/25/248344625.db2.gz JUXQCZCESMSVHP-HZPDHXFCSA-N 1 2 340.427 3.430 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)n1 ZINC000338370557 141109591 /nfs/dbraw/zinc/10/95/91/141109591.db2.gz WFVPINXFDYTSMC-HNNXBMFYSA-N 1 2 338.770 3.015 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@](F)(c3cccc(Cl)c3)C2)n1 ZINC000338370557 141109592 /nfs/dbraw/zinc/10/95/92/141109592.db2.gz WFVPINXFDYTSMC-HNNXBMFYSA-N 1 2 338.770 3.015 20 5 EGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C2CC2)n1C1CC1 ZINC000338380564 141112771 /nfs/dbraw/zinc/11/27/71/141112771.db2.gz KUAGSECDKHYJNY-UHFFFAOYSA-N 1 2 341.415 3.073 20 5 EGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C2CC2)n1C1CC1 ZINC000338380564 141112772 /nfs/dbraw/zinc/11/27/72/141112772.db2.gz KUAGSECDKHYJNY-UHFFFAOYSA-N 1 2 341.415 3.073 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000341177013 141132230 /nfs/dbraw/zinc/13/22/30/141132230.db2.gz OSJADGLGSXXCFO-UHFFFAOYSA-N 1 2 335.791 3.159 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)n1 ZINC000357944594 141363531 /nfs/dbraw/zinc/36/35/31/141363531.db2.gz NARXAPRPORJKKQ-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)n1 ZINC000357944594 141363534 /nfs/dbraw/zinc/36/35/34/141363534.db2.gz NARXAPRPORJKKQ-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000184487764 144093124 /nfs/dbraw/zinc/09/31/24/144093124.db2.gz XSENKKQHBAIUKE-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351879009 144319955 /nfs/dbraw/zinc/31/99/55/144319955.db2.gz GBBOVPOSWPSRML-UHFFFAOYSA-N 1 2 330.331 3.037 20 5 EGBDLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351879009 144319957 /nfs/dbraw/zinc/31/99/57/144319957.db2.gz GBBOVPOSWPSRML-UHFFFAOYSA-N 1 2 330.331 3.037 20 5 EGBDLO COc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc([N+](=O)[O-])c1C ZINC000191864057 153225193 /nfs/dbraw/zinc/22/51/93/153225193.db2.gz RMRMXISTPBYRAI-UHFFFAOYSA-N 1 2 329.356 3.484 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000301400586 154024107 /nfs/dbraw/zinc/02/41/07/154024107.db2.gz XBTGGLFGERCQDH-QWRGUYRKSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000301400586 154024110 /nfs/dbraw/zinc/02/41/10/154024110.db2.gz XBTGGLFGERCQDH-QWRGUYRKSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337353515 154302392 /nfs/dbraw/zinc/30/23/92/154302392.db2.gz AEXNBLVVQGEZER-ANQUJSFKSA-N 1 2 347.459 3.356 20 5 EGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337353515 154302394 /nfs/dbraw/zinc/30/23/94/154302394.db2.gz AEXNBLVVQGEZER-ANQUJSFKSA-N 1 2 347.459 3.356 20 5 EGBDLO Cc1cc(N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338638946 163300886 /nfs/dbraw/zinc/30/08/86/163300886.db2.gz JZMQRKGUTMLAOO-UHFFFAOYSA-N 1 2 328.294 3.292 20 5 EGBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343941198 164070277 /nfs/dbraw/zinc/07/02/77/164070277.db2.gz YTIYOVQPHXBBCB-HNNXBMFYSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343941198 164070278 /nfs/dbraw/zinc/07/02/78/164070278.db2.gz YTIYOVQPHXBBCB-HNNXBMFYSA-N 1 2 347.459 3.452 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000344088285 164100748 /nfs/dbraw/zinc/10/07/48/164100748.db2.gz REQIMJAKLLFMTD-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO CCc1ccc([C@H](NCc2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346573742 164399954 /nfs/dbraw/zinc/39/99/54/164399954.db2.gz RXNNKZLEOCOYAA-GOSISDBHSA-N 1 2 340.383 3.363 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000352355269 165359790 /nfs/dbraw/zinc/35/97/90/165359790.db2.gz HPYSNDJZSOEFPV-UHFFFAOYSA-N 1 2 333.351 3.096 20 5 EGBDLO Cc1cccn2cc(CNc3nc4ccccc4cc3[N+](=O)[O-])[nH+]c12 ZINC000352357381 165360940 /nfs/dbraw/zinc/36/09/40/165360940.db2.gz RBECTOOMNJCPTQ-UHFFFAOYSA-N 1 2 333.351 3.133 20 5 EGBDLO COc1c(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cccc1[N+](=O)[O-] ZINC000355625693 166264729 /nfs/dbraw/zinc/26/47/29/166264729.db2.gz UIWYILZAGARDCW-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365792027 168044329 /nfs/dbraw/zinc/04/43/29/168044329.db2.gz YGJGADJNPHVOHI-CYBMUJFWSA-N 1 2 343.387 3.048 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365792028 168044448 /nfs/dbraw/zinc/04/44/48/168044448.db2.gz YGJGADJNPHVOHI-ZDUSSCGKSA-N 1 2 343.387 3.048 20 5 EGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269666770 266337557 /nfs/dbraw/zinc/33/75/57/266337557.db2.gz VXUAHSCBBMJSDQ-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO Cc1nnc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)s1 ZINC000273587372 267063922 /nfs/dbraw/zinc/06/39/22/267063922.db2.gz IPWXLHLUQDFLRF-JTQLQIEISA-N 1 2 336.417 3.393 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3nccs3)CC2)c1 ZINC000274291358 267213411 /nfs/dbraw/zinc/21/34/11/267213411.db2.gz KPUJWOHXGOGDSN-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO Cc1cc(N2CC[NH+]([C@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000274314441 267216498 /nfs/dbraw/zinc/21/64/98/267216498.db2.gz RQIGXTXXYWPGQT-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO COCC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000274330301 267218428 /nfs/dbraw/zinc/21/84/28/267218428.db2.gz QVLPDUXVDAMWGE-CYBMUJFWSA-N 1 2 338.335 3.203 20 5 EGBDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279243327 275315645 /nfs/dbraw/zinc/31/56/45/275315645.db2.gz KLABCCFXTFBJFJ-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279243327 275315647 /nfs/dbraw/zinc/31/56/47/275315647.db2.gz KLABCCFXTFBJFJ-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](C)O2 ZINC000279672050 275348684 /nfs/dbraw/zinc/34/86/84/275348684.db2.gz DOEKVZFDVBAQSH-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](C)O2 ZINC000279672050 275348685 /nfs/dbraw/zinc/34/86/85/275348685.db2.gz DOEKVZFDVBAQSH-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O2 ZINC000279787413 275359520 /nfs/dbraw/zinc/35/95/20/275359520.db2.gz OAQNNFJSTUZWGK-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O2 ZINC000279787413 275359522 /nfs/dbraw/zinc/35/95/22/275359522.db2.gz OAQNNFJSTUZWGK-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000281856093 275582807 /nfs/dbraw/zinc/58/28/07/275582807.db2.gz QLBDENWGLVOGQL-INIZCTEOSA-N 1 2 342.399 3.108 20 5 EGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287585985 276136513 /nfs/dbraw/zinc/13/65/13/276136513.db2.gz YAESJBRIIVDKTP-CYBMUJFWSA-N 1 2 348.786 3.004 20 5 EGBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287585985 276136514 /nfs/dbraw/zinc/13/65/14/276136514.db2.gz YAESJBRIIVDKTP-CYBMUJFWSA-N 1 2 348.786 3.004 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000287605111 276138580 /nfs/dbraw/zinc/13/85/80/276138580.db2.gz DLRHUPDNZCAESB-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000287605111 276138581 /nfs/dbraw/zinc/13/85/81/276138581.db2.gz DLRHUPDNZCAESB-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO Cc1cc(NCC2=CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000288650523 276238127 /nfs/dbraw/zinc/23/81/27/276238127.db2.gz XZOUGZPLCGWOCM-UHFFFAOYSA-N 1 2 326.356 3.119 20 5 EGBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000292128167 276737959 /nfs/dbraw/zinc/73/79/59/276737959.db2.gz IDEWZFYBIMMDSR-ZIAGYGMSSA-N 1 2 333.432 3.062 20 5 EGBDLO CN1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000352026353 277108622 /nfs/dbraw/zinc/10/86/22/277108622.db2.gz MKLMAOFFHFZQSY-UHFFFAOYSA-N 1 2 333.338 3.325 20 5 EGBDLO CN1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000352026353 277108623 /nfs/dbraw/zinc/10/86/23/277108623.db2.gz MKLMAOFFHFZQSY-UHFFFAOYSA-N 1 2 333.338 3.325 20 5 EGBDLO COc1cc(C[N@@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000171696081 277377268 /nfs/dbraw/zinc/37/72/68/277377268.db2.gz VNJHPDMUYDZXQC-SECBINFHSA-N 1 2 348.371 3.142 20 5 EGBDLO COc1cc(C[N@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000171696081 277377269 /nfs/dbraw/zinc/37/72/69/277377269.db2.gz VNJHPDMUYDZXQC-SECBINFHSA-N 1 2 348.371 3.142 20 5 EGBDLO COc1cc(C[NH2+][C@@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])cc1O ZINC000364630424 277378380 /nfs/dbraw/zinc/37/83/80/277378380.db2.gz HJGRXLGZQUJZJI-CYBMUJFWSA-N 1 2 348.330 3.062 20 5 EGBDLO Cc1ccnc(N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000340768242 278984128 /nfs/dbraw/zinc/98/41/28/278984128.db2.gz ALWUQGKYKBLAHY-UHFFFAOYSA-N 1 2 329.404 3.192 20 5 EGBDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000175258814 279022145 /nfs/dbraw/zinc/02/21/45/279022145.db2.gz GIPYQFGPDHDINW-RYUDHWBXSA-N 1 2 348.428 3.346 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000116269263 307483607 /nfs/dbraw/zinc/48/36/07/307483607.db2.gz CERKRFNRVAADHZ-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000119882483 307500931 /nfs/dbraw/zinc/50/09/31/307500931.db2.gz AYUVBDMMGJPEGD-JTQLQIEISA-N 1 2 331.763 3.142 20 5 EGBDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000139013749 307720153 /nfs/dbraw/zinc/72/01/53/307720153.db2.gz IFPPFIAWOGUZQP-GOSISDBHSA-N 1 2 341.411 3.294 20 5 EGBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000255044347 308038394 /nfs/dbraw/zinc/03/83/94/308038394.db2.gz HHXVJEGJCSTQFG-ZPIQOJFGSA-N 1 2 326.356 3.085 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC000295157423 308297750 /nfs/dbraw/zinc/29/77/50/308297750.db2.gz RVBBUNHVAVRWOP-UHFFFAOYSA-N 1 2 339.754 3.471 20 5 EGBDLO CC[C@H](C)[C@@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301258228 308693734 /nfs/dbraw/zinc/69/37/34/308693734.db2.gz UKNGTWHCABVGCJ-NHYWBVRUSA-N 1 2 330.388 3.179 20 5 EGBDLO Cc1ccc([C@H](CNc2ccc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000301430607 308700113 /nfs/dbraw/zinc/70/01/13/308700113.db2.gz GFTZMKRNQVKECZ-KRWDZBQOSA-N 1 2 345.399 3.290 20 5 EGBDLO C[C@H]1CCC(C)(C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000411083946 308926045 /nfs/dbraw/zinc/92/60/45/308926045.db2.gz IEBRNEPBVVDNCQ-LBPRGKRZSA-N 1 2 328.372 3.184 20 5 EGBDLO CN(C)C(=O)[C@@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413146440 309018192 /nfs/dbraw/zinc/01/81/92/309018192.db2.gz TZUWNSKVTXYVRO-KGLIPLIRSA-N 1 2 342.399 3.202 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOC[C@@H](C4CCC4)C3)c2c1 ZINC000413301128 309025734 /nfs/dbraw/zinc/02/57/34/309025734.db2.gz KMMAFXNLKKGIQH-HNNXBMFYSA-N 1 2 327.384 3.396 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(c4ccncn4)CC3)c2c1 ZINC000413472208 309033494 /nfs/dbraw/zinc/03/34/94/309033494.db2.gz RTCFLOADXNUHEA-UHFFFAOYSA-N 1 2 335.367 3.317 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455036492 310341588 /nfs/dbraw/zinc/34/15/88/310341588.db2.gz QLJQWYIUGXHQPV-OAHLLOKOSA-N 1 2 340.383 3.132 20 5 EGBDLO Cc1cc(NC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc[nH+]1 ZINC000455041434 310341751 /nfs/dbraw/zinc/34/17/51/310341751.db2.gz NWPXOTCWGWMHJH-OAHLLOKOSA-N 1 2 340.383 3.132 20 5 EGBDLO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]c1ccc2c(c1)CCN2 ZINC000423211878 309390622 /nfs/dbraw/zinc/39/06/22/309390622.db2.gz HOZRSKAOKKJMJM-LBPRGKRZSA-N 1 2 340.383 3.392 20 5 EGBDLO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423211878 309390623 /nfs/dbraw/zinc/39/06/23/309390623.db2.gz HOZRSKAOKKJMJM-LBPRGKRZSA-N 1 2 340.383 3.392 20 5 EGBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000424332075 309439318 /nfs/dbraw/zinc/43/93/18/309439318.db2.gz SNGOSJPVVHUGJN-ZJUUUORDSA-N 1 2 335.385 3.250 20 5 EGBDLO CCCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448568473 310006559 /nfs/dbraw/zinc/00/65/59/310006559.db2.gz IHKCZZCVSYGQBW-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO CC(C)OCc1nc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC000449335898 310054372 /nfs/dbraw/zinc/05/43/72/310054372.db2.gz MDDGERKEERBYSK-CHWSQXEVSA-N 1 2 348.403 3.185 20 5 EGBDLO C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000450378336 310119021 /nfs/dbraw/zinc/11/90/21/310119021.db2.gz LIOQPBBRZRWCIP-GUYCJALGSA-N 1 2 337.383 3.427 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCC(C)(C)C1 ZINC000451363132 310174271 /nfs/dbraw/zinc/17/42/71/310174271.db2.gz SDINYJWHWATDGU-AWEZNQCLSA-N 1 2 342.399 3.431 20 5 EGBDLO CC(C)N(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451429112 310178090 /nfs/dbraw/zinc/17/80/90/310178090.db2.gz LPWFEGLTRRIFOV-UHFFFAOYSA-N 1 2 342.399 3.431 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](CC2CC2)C1 ZINC000452162194 310215655 /nfs/dbraw/zinc/21/56/55/310215655.db2.gz LIGJPGYKCVICLV-AWEZNQCLSA-N 1 2 340.383 3.043 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC ZINC000452570972 310232547 /nfs/dbraw/zinc/23/25/47/310232547.db2.gz NARFSJWCKVSSLK-UHFFFAOYSA-N 1 2 348.428 3.243 20 5 EGBDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459493270 310556437 /nfs/dbraw/zinc/55/64/37/310556437.db2.gz HAFZOASDYIOSME-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831553 311154280 /nfs/dbraw/zinc/15/42/80/311154280.db2.gz YMNLNEIARROJHZ-RDTXWAMCSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831553 311154282 /nfs/dbraw/zinc/15/42/82/311154282.db2.gz YMNLNEIARROJHZ-RDTXWAMCSA-N 1 2 345.443 3.254 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515261794 312273531 /nfs/dbraw/zinc/27/35/31/312273531.db2.gz KRZRAABYMYUKTM-LJQANCHMSA-N 1 2 342.395 3.356 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000515261794 312273533 /nfs/dbraw/zinc/27/35/33/312273533.db2.gz KRZRAABYMYUKTM-LJQANCHMSA-N 1 2 342.395 3.356 20 5 EGBDLO CCOC(=O)c1nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000540477600 314383072 /nfs/dbraw/zinc/38/30/72/314383072.db2.gz RGURKYDMGWJGCD-LLVKDONJSA-N 1 2 349.412 3.387 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000007843423 453122659 /nfs/dbraw/zinc/12/26/59/453122659.db2.gz OYHNXANWJYJCAO-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000007843423 453122667 /nfs/dbraw/zinc/12/26/67/453122667.db2.gz OYHNXANWJYJCAO-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO COc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000010896133 453305002 /nfs/dbraw/zinc/30/50/02/453305002.db2.gz JUQBYDWBCPAOLZ-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO COc1ccc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000010896133 453305010 /nfs/dbraw/zinc/30/50/10/453305010.db2.gz JUQBYDWBCPAOLZ-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO C[N@@H+]1CCC(=O)C[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000600783122 460602046 /nfs/dbraw/zinc/60/20/46/460602046.db2.gz REYNZIUWYSZZBH-IBGZPJMESA-N 1 2 340.379 3.090 20 5 EGBDLO C[N@H+]1CCC(=O)C[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000600783122 460602051 /nfs/dbraw/zinc/60/20/51/460602051.db2.gz REYNZIUWYSZZBH-IBGZPJMESA-N 1 2 340.379 3.090 20 5 EGBDLO C[N@@H+]1CCC(=O)C[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000600783125 460602322 /nfs/dbraw/zinc/60/23/22/460602322.db2.gz REYNZIUWYSZZBH-LJQANCHMSA-N 1 2 340.379 3.090 20 5 EGBDLO C[N@H+]1CCC(=O)C[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000600783125 460602329 /nfs/dbraw/zinc/60/23/29/460602329.db2.gz REYNZIUWYSZZBH-LJQANCHMSA-N 1 2 340.379 3.090 20 5 EGBDLO COC(=O)C1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)c[nH+]2)CC1 ZINC000600786948 460604153 /nfs/dbraw/zinc/60/41/53/460604153.db2.gz VTRAUIQFXLVZQE-UHFFFAOYSA-N 1 2 341.367 3.046 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ccccc3C2)c2c(c1)COCO2 ZINC000015254124 453563462 /nfs/dbraw/zinc/56/34/62/453563462.db2.gz ZNTIMTKRGZIDDQ-UHFFFAOYSA-N 1 2 326.352 3.020 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccccc3C2)c2c(c1)COCO2 ZINC000015254124 453563464 /nfs/dbraw/zinc/56/34/64/453563464.db2.gz ZNTIMTKRGZIDDQ-UHFFFAOYSA-N 1 2 326.352 3.020 20 5 EGBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)c2c1 ZINC000016354301 453602604 /nfs/dbraw/zinc/60/26/04/453602604.db2.gz DYUKILRRDOZUFN-LLVKDONJSA-N 1 2 328.294 3.176 20 5 EGBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)c2c1 ZINC000016354301 453602609 /nfs/dbraw/zinc/60/26/09/453602609.db2.gz DYUKILRRDOZUFN-LLVKDONJSA-N 1 2 328.294 3.176 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000028174527 453822481 /nfs/dbraw/zinc/82/24/81/453822481.db2.gz BLAKDTGRQOAOPU-GFCCVEGCSA-N 1 2 345.424 3.350 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000028174527 453822482 /nfs/dbraw/zinc/82/24/82/453822482.db2.gz BLAKDTGRQOAOPU-GFCCVEGCSA-N 1 2 345.424 3.350 20 5 EGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000029844717 453832057 /nfs/dbraw/zinc/83/20/57/453832057.db2.gz KMSCZPJILBWKRI-GOSISDBHSA-N 1 2 341.411 3.389 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000052689975 453842338 /nfs/dbraw/zinc/84/23/38/453842338.db2.gz BYSDZOAAVPLBJJ-UHFFFAOYSA-N 1 2 326.356 3.112 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000052689975 453842342 /nfs/dbraw/zinc/84/23/42/453842342.db2.gz BYSDZOAAVPLBJJ-UHFFFAOYSA-N 1 2 326.356 3.112 20 5 EGBDLO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032058803 453863371 /nfs/dbraw/zinc/86/33/71/453863371.db2.gz SXPGYCXIRAXOAI-CYBMUJFWSA-N 1 2 348.362 3.372 20 5 EGBDLO O=[N+]([O-])c1sccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000067911687 453980050 /nfs/dbraw/zinc/98/00/50/453980050.db2.gz RHCKKSVEDXJHTP-HNNXBMFYSA-N 1 2 333.413 3.142 20 5 EGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000056516380 454063215 /nfs/dbraw/zinc/06/32/15/454063215.db2.gz HXBXKRHFHQTLIB-UHFFFAOYSA-N 1 2 337.339 3.102 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000078004979 454176534 /nfs/dbraw/zinc/17/65/34/454176534.db2.gz YOLKLMZQCUAHLM-CHWSQXEVSA-N 1 2 328.372 3.041 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000058576189 454216631 /nfs/dbraw/zinc/21/66/31/454216631.db2.gz SJAPEEUQPVCBOK-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000058576189 454216635 /nfs/dbraw/zinc/21/66/35/454216635.db2.gz SJAPEEUQPVCBOK-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000119882618 454231120 /nfs/dbraw/zinc/23/11/20/454231120.db2.gz AYUVBDMMGJPEGD-SNVBAGLBSA-N 1 2 331.763 3.142 20 5 EGBDLO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000046599040 454264369 /nfs/dbraw/zinc/26/43/69/454264369.db2.gz QVTUUOIKQJRSCH-RDJZCZTQSA-N 1 2 345.443 3.208 20 5 EGBDLO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000046599040 454264373 /nfs/dbraw/zinc/26/43/73/454264373.db2.gz QVTUUOIKQJRSCH-RDJZCZTQSA-N 1 2 345.443 3.208 20 5 EGBDLO Cc1cnc(N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000078627428 454288980 /nfs/dbraw/zinc/28/89/80/454288980.db2.gz KKZSVVJXPKCSJW-OAHLLOKOSA-N 1 2 341.346 3.372 20 5 EGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000097143218 454415935 /nfs/dbraw/zinc/41/59/35/454415935.db2.gz VTJFXJBQOBOXSL-ZDUSSCGKSA-N 1 2 345.424 3.175 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c2ccncc21 ZINC000073350163 454427770 /nfs/dbraw/zinc/42/77/70/454427770.db2.gz PPPBKUDMYAIRFG-UHFFFAOYSA-N 1 2 346.350 3.336 20 5 EGBDLO CC[N@H+](Cc1ccoc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000102407829 454503037 /nfs/dbraw/zinc/50/30/37/454503037.db2.gz LAYRFSGRTVFTPL-UHFFFAOYSA-N 1 2 328.328 3.260 20 5 EGBDLO CC[N@@H+](Cc1ccoc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000102407829 454503042 /nfs/dbraw/zinc/50/30/42/454503042.db2.gz LAYRFSGRTVFTPL-UHFFFAOYSA-N 1 2 328.328 3.260 20 5 EGBDLO Cc1cc(N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000074727375 454625170 /nfs/dbraw/zinc/62/51/70/454625170.db2.gz PQNWBDLEKBUGSZ-MRXNPFEDSA-N 1 2 341.346 3.372 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])cc1OC ZINC000124287392 454715142 /nfs/dbraw/zinc/71/51/42/454715142.db2.gz ALVFCPVOSJFDKS-UHFFFAOYSA-N 1 2 334.397 3.232 20 5 EGBDLO COc1cc(C[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])cc1OC ZINC000124287392 454715149 /nfs/dbraw/zinc/71/51/49/454715149.db2.gz ALVFCPVOSJFDKS-UHFFFAOYSA-N 1 2 334.397 3.232 20 5 EGBDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163526429 454852522 /nfs/dbraw/zinc/85/25/22/454852522.db2.gz ULVYFWTWMSRXSX-GFCCVEGCSA-N 1 2 339.823 3.129 20 5 EGBDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163526429 454852524 /nfs/dbraw/zinc/85/25/24/454852524.db2.gz ULVYFWTWMSRXSX-GFCCVEGCSA-N 1 2 339.823 3.129 20 5 EGBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000154040104 454859735 /nfs/dbraw/zinc/85/97/35/454859735.db2.gz NTJBRLICVQRWKD-UHFFFAOYSA-N 1 2 337.383 3.200 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000126713990 454913955 /nfs/dbraw/zinc/91/39/55/454913955.db2.gz PJZBCPRJQKDFFK-KRWDZBQOSA-N 1 2 338.367 3.206 20 5 EGBDLO CC[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000173495976 455294020 /nfs/dbraw/zinc/29/40/20/455294020.db2.gz SZMZWYBPADATJZ-INIZCTEOSA-N 1 2 348.428 3.213 20 5 EGBDLO Cc1c(CC(=O)Nc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000161160951 455542353 /nfs/dbraw/zinc/54/23/53/455542353.db2.gz LBLILSYLSOXWDO-UHFFFAOYSA-N 1 2 336.351 3.270 20 5 EGBDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267358991 455546281 /nfs/dbraw/zinc/54/62/81/455546281.db2.gz CBVQAUVIVSXXGQ-HSZRJFAPSA-N 1 2 336.388 3.103 20 5 EGBDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267358991 455546282 /nfs/dbraw/zinc/54/62/82/455546282.db2.gz CBVQAUVIVSXXGQ-HSZRJFAPSA-N 1 2 336.388 3.103 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@](=O)C1 ZINC000277589249 455607254 /nfs/dbraw/zinc/60/72/54/455607254.db2.gz USXMLEUZWZSQNW-YEBMWUKDSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@](=O)C1 ZINC000277589249 455607255 /nfs/dbraw/zinc/60/72/55/455607255.db2.gz USXMLEUZWZSQNW-YEBMWUKDSA-N 1 2 348.424 3.055 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)s1 ZINC000192452137 455619980 /nfs/dbraw/zinc/61/99/80/455619980.db2.gz CIYREDWGRYVNCI-UHFFFAOYSA-N 1 2 333.417 3.439 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000247946269 455659268 /nfs/dbraw/zinc/65/92/68/455659268.db2.gz IEOHHEBNFBFDQJ-UHFFFAOYSA-N 1 2 344.396 3.135 20 5 EGBDLO CCOC1CC2(C1)CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000285444045 455846120 /nfs/dbraw/zinc/84/61/20/455846120.db2.gz IKUKOQKWIWOEHQ-UHFFFAOYSA-N 1 2 326.343 3.264 20 5 EGBDLO CCOC1CC2(C1)CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000285444045 455846122 /nfs/dbraw/zinc/84/61/22/455846122.db2.gz IKUKOQKWIWOEHQ-UHFFFAOYSA-N 1 2 326.343 3.264 20 5 EGBDLO CCc1cc(NCCOCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000261440449 455904170 /nfs/dbraw/zinc/90/41/70/455904170.db2.gz MENMCINTWVJUEP-UHFFFAOYSA-N 1 2 342.399 3.453 20 5 EGBDLO O=[N+]([O-])c1ccc(CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)cc1 ZINC000188171085 456013611 /nfs/dbraw/zinc/01/36/11/456013611.db2.gz WWOARYGMAYHRCI-INIZCTEOSA-N 1 2 326.331 3.336 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000188171085 456013619 /nfs/dbraw/zinc/01/36/19/456013619.db2.gz WWOARYGMAYHRCI-INIZCTEOSA-N 1 2 326.331 3.336 20 5 EGBDLO Cc1ccc([C@@H](CNc2ccc(C)cc2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000301430608 456113763 /nfs/dbraw/zinc/11/37/63/456113763.db2.gz GFTZMKRNQVKECZ-QGZVFWFLSA-N 1 2 345.399 3.290 20 5 EGBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1[C@@H]1CCCO1 ZINC000290016304 456216391 /nfs/dbraw/zinc/21/63/91/456216391.db2.gz ZVZYFSILDPCOFJ-GOEBONIOSA-N 1 2 331.372 3.125 20 5 EGBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1[C@@H]1CCCO1 ZINC000290016304 456216395 /nfs/dbraw/zinc/21/63/95/456216395.db2.gz ZVZYFSILDPCOFJ-GOEBONIOSA-N 1 2 331.372 3.125 20 5 EGBDLO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352764365 456286075 /nfs/dbraw/zinc/28/60/75/456286075.db2.gz WDRDBEMQMSDJLS-AWEZNQCLSA-N 1 2 342.380 3.241 20 5 EGBDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)n2C ZINC000347752304 456349379 /nfs/dbraw/zinc/34/93/79/456349379.db2.gz GWXAKNKBNQKHGP-UHFFFAOYSA-N 1 2 328.347 3.219 20 5 EGBDLO Cc1cc(N(C)Cc2[nH+]ccn2C)c(Br)cc1[N+](=O)[O-] ZINC000276525983 456506895 /nfs/dbraw/zinc/50/68/95/456506895.db2.gz BNGIVKOPRFNUSM-UHFFFAOYSA-N 1 2 339.193 3.036 20 5 EGBDLO CC(C)(C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000344111898 456799579 /nfs/dbraw/zinc/79/95/79/456799579.db2.gz RHFRBBMIAZXXIV-AWEZNQCLSA-N 1 2 342.399 3.289 20 5 EGBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000353885904 456951174 /nfs/dbraw/zinc/95/11/74/456951174.db2.gz UMVFDEDWHXGLOY-QGZVFWFLSA-N 1 2 341.411 3.401 20 5 EGBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000353885904 456951178 /nfs/dbraw/zinc/95/11/78/456951178.db2.gz UMVFDEDWHXGLOY-QGZVFWFLSA-N 1 2 341.411 3.401 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000342073935 457093731 /nfs/dbraw/zinc/09/37/31/457093731.db2.gz VTNZYSYKMHALSY-UHFFFAOYSA-N 1 2 336.351 3.223 20 5 EGBDLO COc1cc(CNc2c[nH+]c3c(c2)CCCC3)cc([N+](=O)[O-])c1O ZINC000359816462 457132307 /nfs/dbraw/zinc/13/23/07/457132307.db2.gz FVYZMKRNCPOXDL-UHFFFAOYSA-N 1 2 329.356 3.195 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C(C)(C)C[NH+]1CCCCCC1 ZINC000332002747 457287701 /nfs/dbraw/zinc/28/77/01/457287701.db2.gz OSOHOSMWZVGYLR-UHFFFAOYSA-N 1 2 349.431 3.027 20 5 EGBDLO COCC[N@H+](Cc1ccccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347278706 457326316 /nfs/dbraw/zinc/32/63/16/457326316.db2.gz VAZSBCOOCCXMAC-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347278706 457326325 /nfs/dbraw/zinc/32/63/25/457326325.db2.gz VAZSBCOOCCXMAC-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000425448110 457557472 /nfs/dbraw/zinc/55/74/72/457557472.db2.gz UBPWFRDJIRHTRJ-CQSZACIVSA-N 1 2 341.205 3.112 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC000425448110 457557478 /nfs/dbraw/zinc/55/74/78/457557478.db2.gz UBPWFRDJIRHTRJ-CQSZACIVSA-N 1 2 341.205 3.112 20 5 EGBDLO Cc1cnc(N[C@H](c2[nH+]ccn2C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000361264552 457671981 /nfs/dbraw/zinc/67/19/81/457671981.db2.gz ZTUURNMNCQKALA-HNNXBMFYSA-N 1 2 341.346 3.372 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000361269371 457673362 /nfs/dbraw/zinc/67/33/62/457673362.db2.gz ZXZPTBHASIQAJO-UHFFFAOYSA-N 1 2 340.383 3.420 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000361269371 457673365 /nfs/dbraw/zinc/67/33/65/457673365.db2.gz ZXZPTBHASIQAJO-UHFFFAOYSA-N 1 2 340.383 3.420 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708523 457951930 /nfs/dbraw/zinc/95/19/30/457951930.db2.gz RKNDDCKSSXBTKT-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444708523 457951935 /nfs/dbraw/zinc/95/19/35/457951935.db2.gz RKNDDCKSSXBTKT-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000375931007 458129141 /nfs/dbraw/zinc/12/91/41/458129141.db2.gz JSYQKMDONYCLNR-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000375931007 458129145 /nfs/dbraw/zinc/12/91/45/458129145.db2.gz JSYQKMDONYCLNR-RKNYENMMSA-N 1 2 348.424 3.198 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362592016 458288075 /nfs/dbraw/zinc/28/80/75/458288075.db2.gz MMFMCVJJPSQZKJ-PBHICJAKSA-N 1 2 334.416 3.092 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362592016 458288079 /nfs/dbraw/zinc/28/80/79/458288079.db2.gz MMFMCVJJPSQZKJ-PBHICJAKSA-N 1 2 334.416 3.092 20 5 EGBDLO Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000373104738 458398379 /nfs/dbraw/zinc/39/83/79/458398379.db2.gz QZLSUTUOPMYTBY-CYBMUJFWSA-N 1 2 343.387 3.048 20 5 EGBDLO CC(C)c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000459673427 458443608 /nfs/dbraw/zinc/44/36/08/458443608.db2.gz ANDQFKYVWBJYKB-UHFFFAOYSA-N 1 2 331.420 3.424 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000373605651 458550806 /nfs/dbraw/zinc/55/08/06/458550806.db2.gz ZHDRJARIDXTISE-UHFFFAOYSA-N 1 2 332.791 3.271 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000373605651 458550810 /nfs/dbraw/zinc/55/08/10/458550810.db2.gz ZHDRJARIDXTISE-UHFFFAOYSA-N 1 2 332.791 3.271 20 5 EGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000424332074 458617821 /nfs/dbraw/zinc/61/78/21/458617821.db2.gz SNGOSJPVVHUGJN-NXEZZACHSA-N 1 2 335.385 3.250 20 5 EGBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000438999475 458639489 /nfs/dbraw/zinc/63/94/89/458639489.db2.gz AJSSEIYENSZWSX-MRXNPFEDSA-N 1 2 344.415 3.417 20 5 EGBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000438999475 458639492 /nfs/dbraw/zinc/63/94/92/458639492.db2.gz AJSSEIYENSZWSX-MRXNPFEDSA-N 1 2 344.415 3.417 20 5 EGBDLO Cn1c(C[NH2+]Cc2csc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000494465471 458682170 /nfs/dbraw/zinc/68/21/70/458682170.db2.gz NEKKGVSSGIYXCJ-UHFFFAOYSA-N 1 2 336.804 3.486 20 5 EGBDLO Cc1ccc(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c[nH+]1 ZINC000555868399 458915009 /nfs/dbraw/zinc/91/50/09/458915009.db2.gz QWAZAEITJBTDED-UHFFFAOYSA-N 1 2 326.278 3.367 20 5 EGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cscc2Cl)CC1 ZINC000590781106 459215377 /nfs/dbraw/zinc/21/53/77/459215377.db2.gz OSGRYJLQEREBIB-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533484269 459242184 /nfs/dbraw/zinc/24/21/84/459242184.db2.gz DWLPMBWPTYQYKL-OAHLLOKOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533484269 459242187 /nfs/dbraw/zinc/24/21/87/459242187.db2.gz DWLPMBWPTYQYKL-OAHLLOKOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1noc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595347705 459282314 /nfs/dbraw/zinc/28/23/14/459282314.db2.gz VYQGBNRECVUQFM-MRXNPFEDSA-N 1 2 345.399 3.115 20 5 EGBDLO Cc1noc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595347705 459282319 /nfs/dbraw/zinc/28/23/19/459282319.db2.gz VYQGBNRECVUQFM-MRXNPFEDSA-N 1 2 345.399 3.115 20 5 EGBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1[N+](=O)[O-] ZINC000595415324 459293694 /nfs/dbraw/zinc/29/36/94/459293694.db2.gz MAQLXBCBPXSPAY-MRVPVSSYSA-N 1 2 327.287 3.343 20 5 EGBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000595419765 459294686 /nfs/dbraw/zinc/29/46/86/459294686.db2.gz KSDDIGWNYQFHCJ-LBPRGKRZSA-N 1 2 330.388 3.342 20 5 EGBDLO Cc1noc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595550645 459344749 /nfs/dbraw/zinc/34/47/49/459344749.db2.gz WWMXXSICPBDGJK-QGZVFWFLSA-N 1 2 343.383 3.245 20 5 EGBDLO Cc1noc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595550645 459344753 /nfs/dbraw/zinc/34/47/53/459344753.db2.gz WWMXXSICPBDGJK-QGZVFWFLSA-N 1 2 343.383 3.245 20 5 EGBDLO C[C@@H](CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000573210817 459642812 /nfs/dbraw/zinc/64/28/12/459642812.db2.gz YARLVYXXCNTSJQ-BLLLJJGKSA-N 1 2 346.412 3.017 20 5 EGBDLO CCO[C@H](CC)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000596620326 459701313 /nfs/dbraw/zinc/70/13/13/459701313.db2.gz DWCUJBUDUKXHJS-CQSZACIVSA-N 1 2 343.343 3.318 20 5 EGBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593058496 459759115 /nfs/dbraw/zinc/75/91/15/459759115.db2.gz MWSUBSPPFWNWCG-HIFRSBDPSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593058496 459759118 /nfs/dbraw/zinc/75/91/18/459759118.db2.gz MWSUBSPPFWNWCG-HIFRSBDPSA-N 1 2 346.387 3.034 20 5 EGBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1=CCCOC1 ZINC000597206574 459876819 /nfs/dbraw/zinc/87/68/19/459876819.db2.gz RQCSQIHPGWSGQB-UHFFFAOYSA-N 1 2 345.424 3.497 20 5 EGBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1=CCCOC1 ZINC000597206574 459876821 /nfs/dbraw/zinc/87/68/21/459876821.db2.gz RQCSQIHPGWSGQB-UHFFFAOYSA-N 1 2 345.424 3.497 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)s1 ZINC000609138421 459908859 /nfs/dbraw/zinc/90/88/59/459908859.db2.gz QTXHRPANCRVKBK-AWEZNQCLSA-N 1 2 333.413 3.142 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccnc1)OCCO2 ZINC000589192658 460048790 /nfs/dbraw/zinc/04/87/90/460048790.db2.gz RPRARYJJKFYFHO-OAHLLOKOSA-N 1 2 341.367 3.098 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccnc1)OCCO2 ZINC000589192658 460048792 /nfs/dbraw/zinc/04/87/92/460048792.db2.gz RPRARYJJKFYFHO-OAHLLOKOSA-N 1 2 341.367 3.098 20 5 EGBDLO Cc1nocc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602673532 460057786 /nfs/dbraw/zinc/05/77/86/460057786.db2.gz CVCTZHXDMRYSCF-UHFFFAOYSA-N 1 2 332.179 3.005 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1Br ZINC000602698707 460072446 /nfs/dbraw/zinc/07/24/46/460072446.db2.gz FMAOVNWOEXMHLL-KCJUWKMLSA-N 1 2 347.234 3.030 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1Br ZINC000602698707 460072451 /nfs/dbraw/zinc/07/24/51/460072451.db2.gz FMAOVNWOEXMHLL-KCJUWKMLSA-N 1 2 347.234 3.030 20 5 EGBDLO CSc1cccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c1[N+](=O)[O-] ZINC000614449364 460143650 /nfs/dbraw/zinc/14/36/50/460143650.db2.gz NYYCDHCHAOWOOT-UHFFFAOYSA-N 1 2 332.385 3.030 20 5 EGBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])s2)cc1 ZINC000610514408 460171577 /nfs/dbraw/zinc/17/15/77/460171577.db2.gz PHRYHJJGPPVHGO-HNNXBMFYSA-N 1 2 347.440 3.450 20 5 EGBDLO COC[C@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683314 460309374 /nfs/dbraw/zinc/30/93/74/460309374.db2.gz QZECFYFTTIKIPS-LRDDRELGSA-N 1 2 345.399 3.416 20 5 EGBDLO COC[C@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683314 460309377 /nfs/dbraw/zinc/30/93/77/460309377.db2.gz QZECFYFTTIKIPS-LRDDRELGSA-N 1 2 345.399 3.416 20 5 EGBDLO C[C@@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000611383161 460348964 /nfs/dbraw/zinc/34/89/64/460348964.db2.gz AICIFHDGBLRUJP-LLVKDONJSA-N 1 2 343.412 3.303 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1nnc2ccccn21 ZINC000611516321 460383741 /nfs/dbraw/zinc/38/37/41/460383741.db2.gz AEBJRLVWSUPFQQ-CYBMUJFWSA-N 1 2 325.372 3.139 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1nnc2ccccn21 ZINC000611516321 460383746 /nfs/dbraw/zinc/38/37/46/460383746.db2.gz AEBJRLVWSUPFQQ-CYBMUJFWSA-N 1 2 325.372 3.139 20 5 EGBDLO Cc1ccnc(NC(=O)C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000611515923 460385057 /nfs/dbraw/zinc/38/50/57/460385057.db2.gz SAZDAQDFGIJGII-CQSZACIVSA-N 1 2 342.399 3.238 20 5 EGBDLO Cc1ccnc(NC(=O)C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000611515923 460385064 /nfs/dbraw/zinc/38/50/64/460385064.db2.gz SAZDAQDFGIJGII-CQSZACIVSA-N 1 2 342.399 3.238 20 5 EGBDLO O=[N+]([O-])c1ncccc1N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000601186967 460743622 /nfs/dbraw/zinc/74/36/22/460743622.db2.gz IPPNHBPZKSGVNN-UHFFFAOYSA-N 1 2 337.383 3.325 20 5 EGBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000492461544 467644323 /nfs/dbraw/zinc/64/43/23/467644323.db2.gz SGXAXMMWPHVSGE-BQYQJAHWSA-N 1 2 337.339 3.011 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000182612913 534346161 /nfs/dbraw/zinc/34/61/61/534346161.db2.gz SRYZYKWBSBMBDX-CQSZACIVSA-N 1 2 333.432 3.155 20 5 EGBDLO CCC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000183857094 529015715 /nfs/dbraw/zinc/01/57/15/529015715.db2.gz FEUAJKMQEQYWCI-OAHLLOKOSA-N 1 2 329.404 3.154 20 5 EGBDLO CC[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000346441895 535798288 /nfs/dbraw/zinc/79/82/88/535798288.db2.gz YHIQLLMZFXTFAS-ZIAGYGMSSA-N 1 2 328.372 3.005 20 5 EGBDLO CC[C@@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000346441895 535798289 /nfs/dbraw/zinc/79/82/89/535798289.db2.gz YHIQLLMZFXTFAS-ZIAGYGMSSA-N 1 2 328.372 3.005 20 5 EGBDLO Cc1cc(N[C@H]2CCS[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592001057 574954320 /nfs/dbraw/zinc/95/43/20/574954320.db2.gz OSCMJFYGSRYWPS-FZMZJTMJSA-N 1 2 330.413 3.088 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000741803957 575441420 /nfs/dbraw/zinc/44/14/20/575441420.db2.gz LCWNCOVHLQAEIZ-CYBMUJFWSA-N 1 2 335.404 3.036 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000741803957 575441423 /nfs/dbraw/zinc/44/14/23/575441423.db2.gz LCWNCOVHLQAEIZ-CYBMUJFWSA-N 1 2 335.404 3.036 20 5 EGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@]1(O)CCc2ccccc21 ZINC000829378221 1292568819 /nfs/dbraw/zinc/56/88/19/1292568819.db2.gz VYGFEBYAOXGLMQ-SFHVURJKSA-N 1 2 348.349 3.139 20 5 EGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@]1(O)CCc2ccccc21 ZINC000829378221 1292568827 /nfs/dbraw/zinc/56/88/27/1292568827.db2.gz VYGFEBYAOXGLMQ-SFHVURJKSA-N 1 2 348.349 3.139 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000833690701 1293064492 /nfs/dbraw/zinc/06/44/92/1293064492.db2.gz WCGUVODPIWDUDW-UHFFFAOYSA-N 1 2 348.428 3.074 20 5 EGBDLO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000125221982 1293500197 /nfs/dbraw/zinc/50/01/97/1293500197.db2.gz KXXIAZJTGLONHT-UHFFFAOYSA-N 1 2 341.383 3.081 20 5 EGBDLO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000125221982 1293500202 /nfs/dbraw/zinc/50/02/02/1293500202.db2.gz KXXIAZJTGLONHT-UHFFFAOYSA-N 1 2 341.383 3.081 20 5 EGBDLO Cc1cc(F)cc(C(=O)NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000176225852 1294596812 /nfs/dbraw/zinc/59/68/12/1294596812.db2.gz HFHWYIXEHBJXON-UHFFFAOYSA-N 1 2 346.362 3.059 20 5 EGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H](C2CC2)CC1=O ZINC000762486178 1301688361 /nfs/dbraw/zinc/68/83/61/1301688361.db2.gz HJWNTJJTDYFECT-INIZCTEOSA-N 1 2 331.416 3.021 20 5 EGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H](C2CC2)CC1=O ZINC000762486178 1301688366 /nfs/dbraw/zinc/68/83/66/1301688366.db2.gz HJWNTJJTDYFECT-INIZCTEOSA-N 1 2 331.416 3.021 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000768235042 1302861169 /nfs/dbraw/zinc/86/11/69/1302861169.db2.gz WCZXOVKEXSDYKV-IBGZPJMESA-N 1 2 342.395 3.246 20 5 EGBDLO CCO[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000771935387 1303463865 /nfs/dbraw/zinc/46/38/65/1303463865.db2.gz OMORGHRODZXEGH-NSHDSACASA-N 1 2 343.221 3.358 20 5 EGBDLO CCO[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000771935387 1303463870 /nfs/dbraw/zinc/46/38/70/1303463870.db2.gz OMORGHRODZXEGH-NSHDSACASA-N 1 2 343.221 3.358 20 5 EGBDLO CC(C)[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774844505 1303866321 /nfs/dbraw/zinc/86/63/21/1303866321.db2.gz DPEZYQUVOGGZNV-UHFFFAOYSA-N 1 2 330.344 3.309 20 5 EGBDLO CC(C)[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774844505 1303866322 /nfs/dbraw/zinc/86/63/22/1303866322.db2.gz DPEZYQUVOGGZNV-UHFFFAOYSA-N 1 2 330.344 3.309 20 5 EGBDLO C[C@H](CC(=O)N1CCCCc2cc([N+](=O)[O-])ccc21)n1cc[nH+]c1 ZINC000892855819 1305580444 /nfs/dbraw/zinc/58/04/44/1305580444.db2.gz WBUWVVYSQLRFCM-CYBMUJFWSA-N 1 2 328.372 3.112 20 5 EGBDLO Nc1cc(COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc[nH+]1 ZINC000787586017 1305762108 /nfs/dbraw/zinc/76/21/08/1305762108.db2.gz RQEXDPZZWTWLFP-UHFFFAOYSA-N 1 2 329.337 3.144 20 5 EGBDLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000789576375 1306187508 /nfs/dbraw/zinc/18/75/08/1306187508.db2.gz GVAPXGZOUAVCMS-ZMSDIMECSA-N 1 2 348.443 3.483 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC2(CCOCC2)O1 ZINC000790929802 1308889692 /nfs/dbraw/zinc/88/96/92/1308889692.db2.gz CIGGKYZWAKSLPD-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC2(CCOCC2)O1 ZINC000790929802 1308889705 /nfs/dbraw/zinc/88/97/05/1308889705.db2.gz CIGGKYZWAKSLPD-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000791407391 1308985182 /nfs/dbraw/zinc/98/51/82/1308985182.db2.gz HURBAFHLIMNBGQ-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000895801322 1309527290 /nfs/dbraw/zinc/52/72/90/1309527290.db2.gz HVZVAVGGVDZQAN-GFCCVEGCSA-N 1 2 329.347 3.055 20 5 EGBDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801547155 1310962991 /nfs/dbraw/zinc/96/29/91/1310962991.db2.gz IFNMAQAOLKNOTO-CYBMUJFWSA-N 1 2 336.285 3.277 20 5 EGBDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801547155 1310962998 /nfs/dbraw/zinc/96/29/98/1310962998.db2.gz IFNMAQAOLKNOTO-CYBMUJFWSA-N 1 2 336.285 3.277 20 5 EGBDLO Cc1cc(Cl)c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000825727660 1320357995 /nfs/dbraw/zinc/35/79/95/1320357995.db2.gz WCNQMQDYHIUPDL-GFCCVEGCSA-N 1 2 348.790 3.230 20 5 EGBDLO COc1ccc2c(c1)[C@H]([N@H+](CC[N+](=O)[O-])Cc1ccccc1)CCO2 ZINC000929712180 1328675498 /nfs/dbraw/zinc/67/54/98/1328675498.db2.gz UGXKIXLHDYJNHG-GOSISDBHSA-N 1 2 342.395 3.298 20 5 EGBDLO COc1ccc2c(c1)[C@H]([N@@H+](CC[N+](=O)[O-])Cc1ccccc1)CCO2 ZINC000929712180 1328675501 /nfs/dbraw/zinc/67/55/01/1328675501.db2.gz UGXKIXLHDYJNHG-GOSISDBHSA-N 1 2 342.395 3.298 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000804329630 1317219330 /nfs/dbraw/zinc/21/93/30/1317219330.db2.gz RFRWRNUIULIWIV-UHFFFAOYSA-N 1 2 345.424 3.181 20 5 EGBDLO Cc1nn(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC000808199500 1317644304 /nfs/dbraw/zinc/64/43/04/1317644304.db2.gz VZEPXHOSEAUMBN-IRXDYDNUSA-N 1 2 344.415 3.235 20 5 EGBDLO Cc1nn(C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC000808199500 1317644310 /nfs/dbraw/zinc/64/43/10/1317644310.db2.gz VZEPXHOSEAUMBN-IRXDYDNUSA-N 1 2 344.415 3.235 20 5 EGBDLO C[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)F ZINC000842437621 1321386361 /nfs/dbraw/zinc/38/63/61/1321386361.db2.gz BIRPSYBINLEMCC-JTQLQIEISA-N 1 2 339.298 3.229 20 5 EGBDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1CO ZINC000856798164 1325527712 /nfs/dbraw/zinc/52/77/12/1325527712.db2.gz PPYMEENVICTGQH-GXSJLCMTSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1CO ZINC000856798164 1325527718 /nfs/dbraw/zinc/52/77/18/1325527718.db2.gz PPYMEENVICTGQH-GXSJLCMTSA-N 1 2 333.215 3.352 20 5 EGBDLO CCOC(=O)c1cc(Nc2cccn3cc(C)[nH+]c23)cc([N+](=O)[O-])c1 ZINC001211367707 1372541431 /nfs/dbraw/zinc/54/14/31/1372541431.db2.gz SSUWFAPXYRXDGA-UHFFFAOYSA-N 1 2 340.339 3.471 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001225620369 1375133391 /nfs/dbraw/zinc/13/33/91/1375133391.db2.gz OYYFJVIFOXIDPW-CQSZACIVSA-N 1 2 346.358 3.483 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001225620369 1375133394 /nfs/dbraw/zinc/13/33/94/1375133394.db2.gz OYYFJVIFOXIDPW-CQSZACIVSA-N 1 2 346.358 3.483 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225904515 1375172467 /nfs/dbraw/zinc/17/24/67/1375172467.db2.gz FLWRLANZKZMZGY-INIZCTEOSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225904515 1375172470 /nfs/dbraw/zinc/17/24/70/1375172470.db2.gz FLWRLANZKZMZGY-INIZCTEOSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226006547 1375188612 /nfs/dbraw/zinc/18/86/12/1375188612.db2.gz GDYBWNRUBQSORX-OAHLLOKOSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226006547 1375188617 /nfs/dbraw/zinc/18/86/17/1375188617.db2.gz GDYBWNRUBQSORX-OAHLLOKOSA-N 1 2 346.358 3.014 20 5 EGBDLO C/C=C(/C)C(=O)NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159753862 1381890520 /nfs/dbraw/zinc/89/05/20/1381890520.db2.gz UOFGTKTVEAZJND-DXNYSGJVSA-N 1 2 349.456 3.261 20 5 EGBDLO C/C=C(/C)C(=O)NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159753862 1381890527 /nfs/dbraw/zinc/89/05/27/1381890527.db2.gz UOFGTKTVEAZJND-DXNYSGJVSA-N 1 2 349.456 3.261 20 5 EGBDLO O=[N+]([O-])c1cc(NCc2c[nH+]cn2CC2CCC2)nc2[nH]ccc21 ZINC001161533370 1382433354 /nfs/dbraw/zinc/43/33/54/1382433354.db2.gz OUDXVCFPAIYLPB-UHFFFAOYSA-N 1 2 326.360 3.080 20 5 EGBDLO CC(C)n1c[nH+]cc1CNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001161570455 1382442090 /nfs/dbraw/zinc/44/20/90/1382442090.db2.gz XPYLSJGILKTTBM-UHFFFAOYSA-N 1 2 338.371 3.441 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC001162128300 1382634521 /nfs/dbraw/zinc/63/45/21/1382634521.db2.gz KWZXZUIDTNIGGX-UHFFFAOYSA-N 1 2 336.779 3.437 20 5 EGBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167989789 1383788963 /nfs/dbraw/zinc/78/89/63/1383788963.db2.gz FQQAIHZGSPPZDQ-UHFFFAOYSA-N 1 2 325.303 3.314 20 5 EGBDLO COc1cc(C)c([N+](=O)[O-])cc1NCCc1cn2ccccc2[nH+]1 ZINC001169005097 1384085309 /nfs/dbraw/zinc/08/53/09/1384085309.db2.gz WALXJKXGUASIRM-UHFFFAOYSA-N 1 2 326.356 3.214 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCO[C@H](C(C)C)C2)c1F ZINC001173191387 1384934330 /nfs/dbraw/zinc/93/43/30/1384934330.db2.gz DEBDVBJWVZCDHW-WBMJQRKESA-N 1 2 340.395 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCO[C@H](C(C)C)C2)c1F ZINC001173191387 1384934332 /nfs/dbraw/zinc/93/43/32/1384934332.db2.gz DEBDVBJWVZCDHW-WBMJQRKESA-N 1 2 340.395 3.030 20 5 EGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(Oc2ccccc2F)C1 ZINC001173235798 1384942136 /nfs/dbraw/zinc/94/21/36/1384942136.db2.gz ZHXDGSPABGVCGA-CYBMUJFWSA-N 1 2 330.359 3.428 20 5 EGBDLO COc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001176362268 1385564418 /nfs/dbraw/zinc/56/44/18/1385564418.db2.gz ATAIBIUUXDTRAU-UHFFFAOYSA-N 1 2 343.383 3.179 20 5 EGBDLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001337509096 1389375980 /nfs/dbraw/zinc/37/59/80/1389375980.db2.gz KRXYSGZFEBKTRM-NSHDSACASA-N 1 2 349.774 3.088 20 5 EGBDLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001337509093 1389376214 /nfs/dbraw/zinc/37/62/14/1389376214.db2.gz KRXYSGZFEBKTRM-LLVKDONJSA-N 1 2 349.774 3.088 20 5 EGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)c[nH+]cc2C)cc1SC ZINC001339101309 1389899829 /nfs/dbraw/zinc/89/98/29/1389899829.db2.gz CANMZJDDVASITP-UHFFFAOYSA-N 1 2 347.396 3.011 20 5 EGBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001350164922 1391423547 /nfs/dbraw/zinc/42/35/47/1391423547.db2.gz NEEIENBRHZKAKM-UHFFFAOYSA-N 1 2 348.790 3.002 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3noc(C(F)F)n3)CCC2)cc1 ZINC000368335692 168344201 /nfs/dbraw/zinc/34/42/01/168344201.db2.gz ZHAOOGIKBFFHFY-UHFFFAOYSA-N 1 2 338.314 3.127 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000072630201 203238555 /nfs/dbraw/zinc/23/85/55/203238555.db2.gz QQULMNCPBZDWJJ-CYBMUJFWSA-N 1 2 343.383 3.240 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000072630201 203238558 /nfs/dbraw/zinc/23/85/58/203238558.db2.gz QQULMNCPBZDWJJ-CYBMUJFWSA-N 1 2 343.383 3.240 20 5 EGBDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000111375421 204354612 /nfs/dbraw/zinc/35/46/12/204354612.db2.gz IIKQMCJTEDIBFO-WDEREUQCSA-N 1 2 348.428 3.292 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000378243369 169090770 /nfs/dbraw/zinc/09/07/70/169090770.db2.gz QZCYMZGJEQUFRU-LLVKDONJSA-N 1 2 348.790 3.061 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000358261603 285164467 /nfs/dbraw/zinc/16/44/67/285164467.db2.gz KCQCMIMZPUEVKF-UHFFFAOYSA-N 1 2 338.342 3.482 20 5 EGBDLO Cc1[nH+]c2ccccc2n1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000280114663 258013981 /nfs/dbraw/zinc/01/39/81/258013981.db2.gz CCJVCLJHMMITNX-UHFFFAOYSA-N 1 2 337.383 3.489 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)cc1OC(F)F ZINC000356860179 141356993 /nfs/dbraw/zinc/35/69/93/141356993.db2.gz NQZCHIISMKWBLT-UHFFFAOYSA-N 1 2 334.282 3.456 20 5 EGBDLO C[C@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)S1=O ZINC000361663667 144346487 /nfs/dbraw/zinc/34/64/87/144346487.db2.gz VNTQEFJEHOAKCE-STQMWFEESA-N 1 2 348.424 3.196 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194208432 153326656 /nfs/dbraw/zinc/32/66/56/153326656.db2.gz KCRFTXUGJHMWFU-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000352812841 286383960 /nfs/dbraw/zinc/38/39/60/286383960.db2.gz ACKDFWQATYNUKX-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOc2ccc(C)cc2C1 ZINC000352812841 286383962 /nfs/dbraw/zinc/38/39/62/286383962.db2.gz ACKDFWQATYNUKX-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337353516 154302745 /nfs/dbraw/zinc/30/27/45/154302745.db2.gz AEXNBLVVQGEZER-DLTWYDFYSA-N 1 2 347.459 3.356 20 5 EGBDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337353516 154302748 /nfs/dbraw/zinc/30/27/48/154302748.db2.gz AEXNBLVVQGEZER-DLTWYDFYSA-N 1 2 347.459 3.356 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN(c1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000340013671 155072366 /nfs/dbraw/zinc/07/23/66/155072366.db2.gz BLPFAFDFMINXCN-UHFFFAOYSA-N 1 2 339.399 3.376 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN(c1cc(NCC2CC2)nc[nH+]1)C1CC1 ZINC000340013671 155072370 /nfs/dbraw/zinc/07/23/70/155072370.db2.gz BLPFAFDFMINXCN-UHFFFAOYSA-N 1 2 339.399 3.376 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)c([N+](=O)[O-])cc1OC ZINC000093383761 162009204 /nfs/dbraw/zinc/00/92/04/162009204.db2.gz IUPGRADKAZAAKU-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc(C[N@H+]2CCc3ccc(F)cc3C2)c([N+](=O)[O-])cc1OC ZINC000093383761 162009205 /nfs/dbraw/zinc/00/92/05/162009205.db2.gz IUPGRADKAZAAKU-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO Cc1nc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)sc1C ZINC000093688877 162022120 /nfs/dbraw/zinc/02/21/20/162022120.db2.gz KHYLAQAHCYSDRB-UHFFFAOYSA-N 1 2 346.456 3.299 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)c1 ZINC000338915874 163385429 /nfs/dbraw/zinc/38/54/29/163385429.db2.gz AAXAXSMJFLOQLO-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO COc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000359748706 167222164 /nfs/dbraw/zinc/22/21/64/167222164.db2.gz NNEUPJVPFUJRIM-UHFFFAOYSA-N 1 2 338.367 3.079 20 5 EGBDLO C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000043783840 275129941 /nfs/dbraw/zinc/12/99/41/275129941.db2.gz IPUNPDFWCSMVEI-UHFFFAOYSA-N 1 2 331.416 3.033 20 5 EGBDLO C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000043783840 275129942 /nfs/dbraw/zinc/12/99/42/275129942.db2.gz IPUNPDFWCSMVEI-UHFFFAOYSA-N 1 2 331.416 3.033 20 5 EGBDLO CCc1nnc([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000279086801 275302711 /nfs/dbraw/zinc/30/27/11/275302711.db2.gz NDAQMFZUSUZRBC-HZMBPMFUSA-N 1 2 329.404 3.349 20 5 EGBDLO Cn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C(C)(C)C)n1 ZINC000342943227 294237619 /nfs/dbraw/zinc/23/76/19/294237619.db2.gz PBSWKEGKSIAHSG-UHFFFAOYSA-N 1 2 328.416 3.184 20 5 EGBDLO Cn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C(C)(C)C)n1 ZINC000342943227 294237622 /nfs/dbraw/zinc/23/76/22/294237622.db2.gz PBSWKEGKSIAHSG-UHFFFAOYSA-N 1 2 328.416 3.184 20 5 EGBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000376550785 297296952 /nfs/dbraw/zinc/29/69/52/297296952.db2.gz GHWVNECIMPSEBJ-WBMJQRKESA-N 1 2 342.355 3.481 20 5 EGBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000376550785 297296953 /nfs/dbraw/zinc/29/69/53/297296953.db2.gz GHWVNECIMPSEBJ-WBMJQRKESA-N 1 2 342.355 3.481 20 5 EGBDLO Cc1c(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000066836428 307363374 /nfs/dbraw/zinc/36/33/74/307363374.db2.gz CPEJHWLXDJJNHZ-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO Cc1c(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000066836428 307363376 /nfs/dbraw/zinc/36/33/76/307363376.db2.gz CPEJHWLXDJJNHZ-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294422387 308219824 /nfs/dbraw/zinc/21/98/24/308219824.db2.gz DNKMXZJVYDKVHR-PHIMTYICSA-N 1 2 328.290 3.310 20 5 EGBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294422387 308219826 /nfs/dbraw/zinc/21/98/26/308219826.db2.gz DNKMXZJVYDKVHR-PHIMTYICSA-N 1 2 328.290 3.310 20 5 EGBDLO CCc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000295360189 308318360 /nfs/dbraw/zinc/31/83/60/308318360.db2.gz CJURGJRILXDQFK-OAHLLOKOSA-N 1 2 342.399 3.114 20 5 EGBDLO CS[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296088944 308392599 /nfs/dbraw/zinc/39/25/99/308392599.db2.gz CXWABHIRHSFKQK-MWLCHTKSSA-N 1 2 343.836 3.013 20 5 EGBDLO CS[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296088944 308392600 /nfs/dbraw/zinc/39/26/00/308392600.db2.gz CXWABHIRHSFKQK-MWLCHTKSSA-N 1 2 343.836 3.013 20 5 EGBDLO Cc1cnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000301435975 308700226 /nfs/dbraw/zinc/70/02/26/308700226.db2.gz KOENVKJARODMJS-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO Cc1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301636969 308708338 /nfs/dbraw/zinc/70/83/38/308708338.db2.gz LFRJBABTUIGNLI-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CCOc1cccc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000302077726 308728267 /nfs/dbraw/zinc/72/82/67/308728267.db2.gz APLDAJQJMRWQDR-UHFFFAOYSA-N 1 2 326.356 3.296 20 5 EGBDLO Cc1noc([C@H]2CCCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000413069152 309014484 /nfs/dbraw/zinc/01/44/84/309014484.db2.gz LUSOYTBOKLOZQU-ZDUSSCGKSA-N 1 2 339.355 3.218 20 5 EGBDLO O=C(CC1CCCC1)NCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413098474 309016078 /nfs/dbraw/zinc/01/60/78/309016078.db2.gz APIBZEXXAUEYCP-UHFFFAOYSA-N 1 2 342.399 3.251 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413313767 309026371 /nfs/dbraw/zinc/02/63/71/309026371.db2.gz HWPGOXBKPSZIAR-MRVPVSSYSA-N 1 2 329.282 3.398 20 5 EGBDLO Cc1cc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc(C)[nH+]1 ZINC000420650554 309291694 /nfs/dbraw/zinc/29/16/94/309291694.db2.gz IEMGNAKNGHCVPI-UHFFFAOYSA-N 1 2 326.356 3.103 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421564378 309329861 /nfs/dbraw/zinc/32/98/61/309329861.db2.gz YXAGLDWGWNADDA-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]c1ccc2c(c1)CCN2 ZINC000423211877 309390675 /nfs/dbraw/zinc/39/06/75/309390675.db2.gz HOZRSKAOKKJMJM-GFCCVEGCSA-N 1 2 340.383 3.392 20 5 EGBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423211877 309390676 /nfs/dbraw/zinc/39/06/76/309390676.db2.gz HOZRSKAOKKJMJM-GFCCVEGCSA-N 1 2 340.383 3.392 20 5 EGBDLO CCOC(=O)c1csc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000432783950 309668619 /nfs/dbraw/zinc/66/86/19/309668619.db2.gz MCDHUYGUZCQXJD-JTQLQIEISA-N 1 2 335.385 3.079 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000436001515 309744640 /nfs/dbraw/zinc/74/46/40/309744640.db2.gz BMOIDBNQDZQQAY-HNNXBMFYSA-N 1 2 346.362 3.318 20 5 EGBDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC000436907934 309780418 /nfs/dbraw/zinc/78/04/18/309780418.db2.gz HJOKNVNLKFNQMU-UHFFFAOYSA-N 1 2 349.774 3.268 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000440462745 309849848 /nfs/dbraw/zinc/84/98/48/309849848.db2.gz OPJHPZXPMVNPIV-QGZVFWFLSA-N 1 2 348.786 3.008 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccncc2OCC(F)F)c(F)c1 ZINC000441361904 309869377 /nfs/dbraw/zinc/86/93/77/309869377.db2.gz VLRMNVKBPKRDTR-UHFFFAOYSA-N 1 2 341.289 3.063 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)[NH+]1CCOCC1 ZINC000444833741 309931814 /nfs/dbraw/zinc/93/18/14/309931814.db2.gz JCJBDPCDGWKHRW-UHFFFAOYSA-N 1 2 327.812 3.079 20 5 EGBDLO C[C@H](C1CC1)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448685577 310012367 /nfs/dbraw/zinc/01/23/67/310012367.db2.gz ABBOUIPSZCOXBJ-GFCCVEGCSA-N 1 2 340.383 3.184 20 5 EGBDLO CC[C@H](C)[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OC ZINC000449403470 310059204 /nfs/dbraw/zinc/05/92/04/310059204.db2.gz QAUUAQFCQFBLEE-IAOVAPTHSA-N 1 2 346.431 3.068 20 5 EGBDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000449763541 310085508 /nfs/dbraw/zinc/08/55/08/310085508.db2.gz SJXYTUVFBLBQOV-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000449763541 310085509 /nfs/dbraw/zinc/08/55/09/310085509.db2.gz SJXYTUVFBLBQOV-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450739031 310140220 /nfs/dbraw/zinc/14/02/20/310140220.db2.gz PVLYLZFCTLXYJF-JSGCOSHPSA-N 1 2 328.372 3.041 20 5 EGBDLO CCCc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451543806 310184464 /nfs/dbraw/zinc/18/44/64/310184464.db2.gz CXULOPQBELAVLT-AWEZNQCLSA-N 1 2 330.388 3.310 20 5 EGBDLO CCCc1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451543806 310184465 /nfs/dbraw/zinc/18/44/65/310184465.db2.gz CXULOPQBELAVLT-AWEZNQCLSA-N 1 2 330.388 3.310 20 5 EGBDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451867737 310200985 /nfs/dbraw/zinc/20/09/85/310200985.db2.gz OMAKALFZJCHCCT-CABCVRRESA-N 1 2 326.343 3.262 20 5 EGBDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451867737 310200986 /nfs/dbraw/zinc/20/09/86/310200986.db2.gz OMAKALFZJCHCCT-CABCVRRESA-N 1 2 326.343 3.262 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336291 310223934 /nfs/dbraw/zinc/22/39/34/310223934.db2.gz UZOZWPCGTMDTFH-UHFFFAOYSA-N 1 2 346.412 3.492 20 5 EGBDLO C[NH+](C)Cc1csc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000457304481 310446860 /nfs/dbraw/zinc/44/68/60/310446860.db2.gz DAJOYLUBWKIFTM-UHFFFAOYSA-N 1 2 348.428 3.029 20 5 EGBDLO CC(C)c1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000457306958 310446911 /nfs/dbraw/zinc/44/69/11/310446911.db2.gz FZZMKFJUEDVNDJ-UHFFFAOYSA-N 1 2 348.428 3.489 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000459068920 310532545 /nfs/dbraw/zinc/53/25/45/310532545.db2.gz WSPPLPRUEOWUQR-GFCCVEGCSA-N 1 2 345.403 3.107 20 5 EGBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197543 311135486 /nfs/dbraw/zinc/13/54/86/311135486.db2.gz BLVJNWLOEACINP-KSSFIOAISA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197543 311135487 /nfs/dbraw/zinc/13/54/87/311135487.db2.gz BLVJNWLOEACINP-KSSFIOAISA-N 1 2 345.443 3.254 20 5 EGBDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000492537130 311263315 /nfs/dbraw/zinc/26/33/15/311263315.db2.gz QIBKJHBZMYSVIW-SREVYHEPSA-N 1 2 348.790 3.136 20 5 EGBDLO COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511124054 312155472 /nfs/dbraw/zinc/15/54/72/312155472.db2.gz LFHPSVOODFJAED-KRWDZBQOSA-N 1 2 346.358 3.123 20 5 EGBDLO COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511124054 312155473 /nfs/dbraw/zinc/15/54/73/312155473.db2.gz LFHPSVOODFJAED-KRWDZBQOSA-N 1 2 346.358 3.123 20 5 EGBDLO C[C@H](CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC000572044353 317283057 /nfs/dbraw/zinc/28/30/57/317283057.db2.gz FPVUOANEZFCWMX-GDBMZVCRSA-N 1 2 342.399 3.149 20 5 EGBDLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181837365 323507047 /nfs/dbraw/zinc/50/70/47/323507047.db2.gz MVBWJKSAHGRASP-VXGBXAGGSA-N 1 2 334.376 3.235 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421178785 324312111 /nfs/dbraw/zinc/31/21/11/324312111.db2.gz CUHBGSDEPPYNHJ-UHFFFAOYSA-N 1 2 328.368 3.006 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000173345684 455269550 /nfs/dbraw/zinc/26/95/50/455269550.db2.gz KXYLYWWKBOVYRC-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000173345684 455269555 /nfs/dbraw/zinc/26/95/55/455269555.db2.gz KXYLYWWKBOVYRC-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000190436923 455318113 /nfs/dbraw/zinc/31/81/13/455318113.db2.gz QDNQOOBSKGUSRW-UHFFFAOYSA-N 1 2 345.403 3.298 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1F ZINC000007421712 453073550 /nfs/dbraw/zinc/07/35/50/453073550.db2.gz ZZIFQAOFOXIXCX-LBPRGKRZSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1F ZINC000007421712 453073558 /nfs/dbraw/zinc/07/35/58/453073558.db2.gz ZZIFQAOFOXIXCX-LBPRGKRZSA-N 1 2 331.347 3.193 20 5 EGBDLO Cc1cc(F)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014785682 453543411 /nfs/dbraw/zinc/54/34/11/453543411.db2.gz CVRPOEJBMLPVKH-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000016446157 453607298 /nfs/dbraw/zinc/60/72/98/453607298.db2.gz OMVAIQJAAKJIPP-QWRGUYRKSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000016446157 453607301 /nfs/dbraw/zinc/60/73/01/453607301.db2.gz OMVAIQJAAKJIPP-QWRGUYRKSA-N 1 2 325.796 3.307 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000030959533 453842100 /nfs/dbraw/zinc/84/21/00/453842100.db2.gz YKEXECHVIAYSPQ-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000030959533 453842103 /nfs/dbraw/zinc/84/21/03/453842103.db2.gz YKEXECHVIAYSPQ-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066847689 453879546 /nfs/dbraw/zinc/87/95/46/453879546.db2.gz FHLYQEDWXMUEJQ-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066847689 453879549 /nfs/dbraw/zinc/87/95/49/453879549.db2.gz FHLYQEDWXMUEJQ-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000081574661 453889368 /nfs/dbraw/zinc/88/93/68/453889368.db2.gz QOIFDXLOIAIEQG-UGSOOPFHSA-N 1 2 325.368 3.226 20 5 EGBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000081574661 453889371 /nfs/dbraw/zinc/88/93/71/453889371.db2.gz QOIFDXLOIAIEQG-UGSOOPFHSA-N 1 2 325.368 3.226 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000042096643 453993708 /nfs/dbraw/zinc/99/37/08/453993708.db2.gz NAQSCDSYKOEOII-MRXNPFEDSA-N 1 2 345.374 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000042096643 453993710 /nfs/dbraw/zinc/99/37/10/453993710.db2.gz NAQSCDSYKOEOII-MRXNPFEDSA-N 1 2 345.374 3.047 20 5 EGBDLO CC1CCN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)c[nH+]2)CC1 ZINC000076827251 454040595 /nfs/dbraw/zinc/04/05/95/454040595.db2.gz FUVOAHXEPHZQHJ-UHFFFAOYSA-N 1 2 327.388 3.233 20 5 EGBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)c1[nH+]ccn1C ZINC000070444791 454168944 /nfs/dbraw/zinc/16/89/44/454168944.db2.gz FCJNVRNWKKCHNU-MRVPVSSYSA-N 1 2 325.166 3.264 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000072556196 454310036 /nfs/dbraw/zinc/31/00/36/454310036.db2.gz WEXJCVHMFDJQRS-LBPRGKRZSA-N 1 2 331.347 3.365 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000072556196 454310040 /nfs/dbraw/zinc/31/00/40/454310040.db2.gz WEXJCVHMFDJQRS-LBPRGKRZSA-N 1 2 331.347 3.365 20 5 EGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)on1 ZINC000047273777 454350509 /nfs/dbraw/zinc/35/05/09/454350509.db2.gz ZVJRJLNCLQGYDA-OAHLLOKOSA-N 1 2 345.355 3.095 20 5 EGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)on1 ZINC000047273777 454350511 /nfs/dbraw/zinc/35/05/11/454350511.db2.gz ZVJRJLNCLQGYDA-OAHLLOKOSA-N 1 2 345.355 3.095 20 5 EGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCOC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000091810461 454473954 /nfs/dbraw/zinc/47/39/54/454473954.db2.gz DOWCTHGUWXIZBZ-GFCCVEGCSA-N 1 2 332.356 3.084 20 5 EGBDLO COc1ccc(-c2ccc(C[N@H+]3CCOC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000091810461 454473959 /nfs/dbraw/zinc/47/39/59/454473959.db2.gz DOWCTHGUWXIZBZ-GFCCVEGCSA-N 1 2 332.356 3.084 20 5 EGBDLO C[N@H+](CCC(F)(F)F)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064635393 454496425 /nfs/dbraw/zinc/49/64/25/454496425.db2.gz SMYRHCGTDYQBRA-UHFFFAOYSA-N 1 2 339.701 3.071 20 5 EGBDLO C[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000064635393 454496428 /nfs/dbraw/zinc/49/64/28/454496428.db2.gz SMYRHCGTDYQBRA-UHFFFAOYSA-N 1 2 339.701 3.071 20 5 EGBDLO CCc1cc(NC2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000064914853 454515588 /nfs/dbraw/zinc/51/55/88/454515588.db2.gz RZLKXYXCOCGYCQ-UHFFFAOYSA-N 1 2 328.372 3.205 20 5 EGBDLO COc1cc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000134820688 454593698 /nfs/dbraw/zinc/59/36/98/454593698.db2.gz KIIUDYCEWJDYFD-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO Cc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(C)[nH+]1 ZINC000134851560 454598068 /nfs/dbraw/zinc/59/80/68/454598068.db2.gz OKZNEQJUKMQFTI-UHFFFAOYSA-N 1 2 337.339 3.045 20 5 EGBDLO Cc1ccc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)c([N+](=O)[O-])c1 ZINC000080641624 454610996 /nfs/dbraw/zinc/61/09/96/454610996.db2.gz UOIPAHULICUKGN-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000051182243 454612213 /nfs/dbraw/zinc/61/22/13/454612213.db2.gz JNVQIEJADASSJD-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000106537459 454699956 /nfs/dbraw/zinc/69/99/56/454699956.db2.gz LEFYEMOVESQNLY-SWLSCSKDSA-N 1 2 343.387 3.316 20 5 EGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2C)cc1SC ZINC000107292451 454750658 /nfs/dbraw/zinc/75/06/58/454750658.db2.gz CEKRLOBVUXOKPH-UHFFFAOYSA-N 1 2 333.369 3.281 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)O1 ZINC000153163097 454765990 /nfs/dbraw/zinc/76/59/90/454765990.db2.gz QWSFEGVLERSHMU-GFCCVEGCSA-N 1 2 331.372 3.249 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)O1 ZINC000153163097 454765995 /nfs/dbraw/zinc/76/59/95/454765995.db2.gz QWSFEGVLERSHMU-GFCCVEGCSA-N 1 2 331.372 3.249 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000124795950 454770687 /nfs/dbraw/zinc/77/06/87/454770687.db2.gz YVTCIVRRAAPUSL-ABAIWWIYSA-N 1 2 348.790 3.168 20 5 EGBDLO COC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000153320034 454781510 /nfs/dbraw/zinc/78/15/10/454781510.db2.gz FXTPCTVHCYTPKN-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000153320034 454781513 /nfs/dbraw/zinc/78/15/13/454781513.db2.gz FXTPCTVHCYTPKN-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182357568 455497025 /nfs/dbraw/zinc/49/70/25/455497025.db2.gz HHVZJQMJPHQVLM-HNNXBMFYSA-N 1 2 334.807 3.491 20 5 EGBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182357568 455497027 /nfs/dbraw/zinc/49/70/27/455497027.db2.gz HHVZJQMJPHQVLM-HNNXBMFYSA-N 1 2 334.807 3.491 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000128000217 455016897 /nfs/dbraw/zinc/01/68/97/455016897.db2.gz KTBAAGLMBZBFHA-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000128000217 455016900 /nfs/dbraw/zinc/01/69/00/455016900.db2.gz KTBAAGLMBZBFHA-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000117335849 455083711 /nfs/dbraw/zinc/08/37/11/455083711.db2.gz ZJBWHDKGXVVGHK-UHFFFAOYSA-N 1 2 341.367 3.419 20 5 EGBDLO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000117335849 455083716 /nfs/dbraw/zinc/08/37/16/455083716.db2.gz ZJBWHDKGXVVGHK-UHFFFAOYSA-N 1 2 341.367 3.419 20 5 EGBDLO COc1cc[nH+]c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1OC ZINC000190917061 455404867 /nfs/dbraw/zinc/40/48/67/455404867.db2.gz KSWHZTRJLQIWNL-UHFFFAOYSA-N 1 2 343.383 3.172 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000192258841 455583628 /nfs/dbraw/zinc/58/36/28/455583628.db2.gz BSTGACMJYNMFPH-UHFFFAOYSA-N 1 2 344.415 3.215 20 5 EGBDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283969853 455617901 /nfs/dbraw/zinc/61/79/01/455617901.db2.gz FHZSOJFKGYBHTP-OAHLLOKOSA-N 1 2 330.344 3.481 20 5 EGBDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283969853 455617908 /nfs/dbraw/zinc/61/79/08/455617908.db2.gz FHZSOJFKGYBHTP-OAHLLOKOSA-N 1 2 330.344 3.481 20 5 EGBDLO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@]1=O ZINC000277725679 455647119 /nfs/dbraw/zinc/64/71/19/455647119.db2.gz STLQJWUHSUFCJZ-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@]1=O ZINC000277725679 455647125 /nfs/dbraw/zinc/64/71/25/455647125.db2.gz STLQJWUHSUFCJZ-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000269019182 455765091 /nfs/dbraw/zinc/76/50/91/455765091.db2.gz PFTMIXMKMWRIDB-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccn1CC(F)(F)F ZINC000285407453 455838768 /nfs/dbraw/zinc/83/87/68/455838768.db2.gz UNXCFJDGURGXQN-UHFFFAOYSA-N 1 2 342.321 3.028 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccn1CC(F)(F)F ZINC000285407453 455838769 /nfs/dbraw/zinc/83/87/69/455838769.db2.gz UNXCFJDGURGXQN-UHFFFAOYSA-N 1 2 342.321 3.028 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296192828 455876759 /nfs/dbraw/zinc/87/67/59/455876759.db2.gz MWKJBOGYQSTVEP-AWEZNQCLSA-N 1 2 343.387 3.252 20 5 EGBDLO COc1cc(C[NH2+]Cc2ccco2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272432356 455948281 /nfs/dbraw/zinc/94/82/81/455948281.db2.gz NMLUIJBCRGJNLB-UHFFFAOYSA-N 1 2 342.298 3.130 20 5 EGBDLO CC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000296590672 455981844 /nfs/dbraw/zinc/98/18/44/455981844.db2.gz SAJLSQXHRASTBR-UHFFFAOYSA-N 1 2 339.395 3.120 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)co2)cc1 ZINC000270610738 455996130 /nfs/dbraw/zinc/99/61/30/455996130.db2.gz NHGQXWBFABHPRY-JKSUJKDBSA-N 1 2 329.356 3.003 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@@H]4CCC[C@@H]43)co2)cc1 ZINC000270610738 455996133 /nfs/dbraw/zinc/99/61/33/455996133.db2.gz NHGQXWBFABHPRY-JKSUJKDBSA-N 1 2 329.356 3.003 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000198923018 456014257 /nfs/dbraw/zinc/01/42/57/456014257.db2.gz LVQPNJALNCYROC-UHFFFAOYSA-N 1 2 338.367 3.073 20 5 EGBDLO Cc1cc(N2CCOC3(CCC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270778854 456037444 /nfs/dbraw/zinc/03/74/44/456037444.db2.gz JAIMDLZZTALLLR-UHFFFAOYSA-N 1 2 340.383 3.120 20 5 EGBDLO Cc1nc(N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000301642681 456171877 /nfs/dbraw/zinc/17/18/77/456171877.db2.gz MRUYKDJYHBWROF-INIZCTEOSA-N 1 2 341.346 3.372 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000340191106 456304635 /nfs/dbraw/zinc/30/46/35/456304635.db2.gz HKCYAPTWYLHTEG-CHWSQXEVSA-N 1 2 336.285 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000340191106 456304639 /nfs/dbraw/zinc/30/46/39/456304639.db2.gz HKCYAPTWYLHTEG-CHWSQXEVSA-N 1 2 336.285 3.012 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000281880767 456347993 /nfs/dbraw/zinc/34/79/93/456347993.db2.gz SFHKJYKIHSNKJB-INIZCTEOSA-N 1 2 342.399 3.108 20 5 EGBDLO CCCN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298360422 456435904 /nfs/dbraw/zinc/43/59/04/456435904.db2.gz VDCGCIXPMVDASV-UHFFFAOYSA-N 1 2 330.388 3.289 20 5 EGBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000353123874 456505434 /nfs/dbraw/zinc/50/54/34/456505434.db2.gz IWSSMJQIOYNTAD-OQLLNIDSSA-N 1 2 349.394 3.172 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cs1 ZINC000348323579 456622931 /nfs/dbraw/zinc/62/29/31/456622931.db2.gz XNQMXGCZWHRLRC-LLVKDONJSA-N 1 2 348.428 3.211 20 5 EGBDLO Cc1ccc([C@@H](C)NC(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000353326801 456640832 /nfs/dbraw/zinc/64/08/32/456640832.db2.gz DCRZWOAZCKYGBV-GFCCVEGCSA-N 1 2 339.355 3.434 20 5 EGBDLO CCc1cc(NC[C@@H]2CC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277016804 456654634 /nfs/dbraw/zinc/65/46/34/456654634.db2.gz YNVNWUZSBFSOGZ-WBMJQRKESA-N 1 2 342.399 3.187 20 5 EGBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000338635620 456846941 /nfs/dbraw/zinc/84/69/41/456846941.db2.gz DWHQVASHMQFKGE-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000338635620 456846946 /nfs/dbraw/zinc/84/69/46/456846946.db2.gz DWHQVASHMQFKGE-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(Cl)c1Cl ZINC000341846009 456968745 /nfs/dbraw/zinc/96/87/45/456968745.db2.gz VTGGVWZGVVYWLZ-MRVPVSSYSA-N 1 2 329.187 3.486 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000342007773 457057677 /nfs/dbraw/zinc/05/76/77/457057677.db2.gz NHWHUIYPPWBEQN-GFCCVEGCSA-N 1 2 348.428 3.110 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c[nH+]1 ZINC000339369378 457071115 /nfs/dbraw/zinc/07/11/15/457071115.db2.gz ALSRVLMDHZJEQA-UHFFFAOYSA-N 1 2 342.399 3.074 20 5 EGBDLO CC(C)[C@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000330728939 457078241 /nfs/dbraw/zinc/07/82/41/457078241.db2.gz HDEBHTSJQKTSNQ-IUODEOHRSA-N 1 2 346.387 3.063 20 5 EGBDLO CC(C)[C@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000330728939 457078250 /nfs/dbraw/zinc/07/82/50/457078250.db2.gz HDEBHTSJQKTSNQ-IUODEOHRSA-N 1 2 346.387 3.063 20 5 EGBDLO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342511040 457342927 /nfs/dbraw/zinc/34/29/27/457342927.db2.gz VWPUYUGOQRFZBS-RDTXWAMCSA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342511040 457342933 /nfs/dbraw/zinc/34/29/33/457342933.db2.gz VWPUYUGOQRFZBS-RDTXWAMCSA-N 1 2 339.395 3.047 20 5 EGBDLO COCC[N@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000357229933 457387426 /nfs/dbraw/zinc/38/74/26/457387426.db2.gz WRUYMUOOHDRJGO-UHFFFAOYSA-N 1 2 336.413 3.314 20 5 EGBDLO COCC[N@@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000357229933 457387433 /nfs/dbraw/zinc/38/74/33/457387433.db2.gz WRUYMUOOHDRJGO-UHFFFAOYSA-N 1 2 336.413 3.314 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000360944104 457451913 /nfs/dbraw/zinc/45/19/13/457451913.db2.gz KZHSNGRPXFNANF-GOEBONIOSA-N 1 2 342.399 3.250 20 5 EGBDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402597 457536906 /nfs/dbraw/zinc/53/69/06/457536906.db2.gz IVEUQDKMENLJMV-ZWNOBZJWSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402597 457536910 /nfs/dbraw/zinc/53/69/10/457536910.db2.gz IVEUQDKMENLJMV-ZWNOBZJWSA-N 1 2 343.221 3.093 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374873987 457724960 /nfs/dbraw/zinc/72/49/60/457724960.db2.gz JESMHAALZAAFPV-MRXNPFEDSA-N 1 2 345.786 3.035 20 5 EGBDLO CCCc1csc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000426395075 457821067 /nfs/dbraw/zinc/82/10/67/457821067.db2.gz HTXVMXFUKMPBHZ-UHFFFAOYSA-N 1 2 346.456 3.326 20 5 EGBDLO CCC(=O)c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000366506653 457832721 /nfs/dbraw/zinc/83/27/21/457832721.db2.gz OGRQUCMSYRIISQ-OAHLLOKOSA-N 1 2 341.367 3.240 20 5 EGBDLO CCN(CC1CCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000358173424 457834412 /nfs/dbraw/zinc/83/44/12/457834412.db2.gz UFMNKVMVRIEXTB-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO CCOc1ccc(C2=CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000371357426 457881969 /nfs/dbraw/zinc/88/19/69/457881969.db2.gz LIDNVYKLZOWSCS-UHFFFAOYSA-N 1 2 342.399 3.016 20 5 EGBDLO CCOc1ccc(C2=CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000371357426 457881976 /nfs/dbraw/zinc/88/19/76/457881976.db2.gz LIDNVYKLZOWSCS-UHFFFAOYSA-N 1 2 342.399 3.016 20 5 EGBDLO CC[C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000361842969 457902095 /nfs/dbraw/zinc/90/20/95/457902095.db2.gz KZJAAYRJHAZSMT-STQMWFEESA-N 1 2 330.388 3.335 20 5 EGBDLO CC(C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000444528397 457906126 /nfs/dbraw/zinc/90/61/26/457906126.db2.gz XQLPRHJJDDMHTB-HNNXBMFYSA-N 1 2 342.399 3.289 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000468541259 458525673 /nfs/dbraw/zinc/52/56/73/458525673.db2.gz FHWDPHPEWOSIAJ-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000468541259 458525676 /nfs/dbraw/zinc/52/56/76/458525676.db2.gz FHWDPHPEWOSIAJ-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456412629 458670381 /nfs/dbraw/zinc/67/03/81/458670381.db2.gz HLNMGYMXKOEJAM-HZMBPMFUSA-N 1 2 346.362 3.030 20 5 EGBDLO Cc1nn(C)c(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)c1[N+](=O)[O-] ZINC000503274480 458700839 /nfs/dbraw/zinc/70/08/39/458700839.db2.gz IAZJLIXULCUCPZ-LBPRGKRZSA-N 1 2 344.419 3.463 20 5 EGBDLO Cc1c(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000494982600 458778660 /nfs/dbraw/zinc/77/86/60/458778660.db2.gz YGOMMBRJIZAZFP-MRXNPFEDSA-N 1 2 329.404 3.433 20 5 EGBDLO Cc1cc(C)c(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000456843495 458797801 /nfs/dbraw/zinc/79/78/01/458797801.db2.gz QSQKOSGJLGMIHN-LBPRGKRZSA-N 1 2 331.347 3.166 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000556257354 458943178 /nfs/dbraw/zinc/94/31/78/458943178.db2.gz BKULBROFUGJYSL-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO CCC[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594511401 459069749 /nfs/dbraw/zinc/06/97/49/459069749.db2.gz MWCLUHYATZSOSF-GJZGRUSLSA-N 1 2 345.403 3.195 20 5 EGBDLO CCOc1cc(NCC2CC[NH+](CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000590567420 459150614 /nfs/dbraw/zinc/15/06/14/459150614.db2.gz CIZOVLTZRXLZQC-UHFFFAOYSA-N 1 2 343.374 3.383 20 5 EGBDLO COCc1nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000595050627 459227555 /nfs/dbraw/zinc/22/75/55/459227555.db2.gz MJKRRSNAVDILMO-SNVBAGLBSA-N 1 2 337.401 3.057 20 5 EGBDLO Cc1noc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000595398402 459290585 /nfs/dbraw/zinc/29/05/85/459290585.db2.gz VAFIQZRLRSBPCG-NSHDSACASA-N 1 2 337.763 3.198 20 5 EGBDLO Cc1noc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000595398402 459290591 /nfs/dbraw/zinc/29/05/91/459290591.db2.gz VAFIQZRLRSBPCG-NSHDSACASA-N 1 2 337.763 3.198 20 5 EGBDLO Cc1noc(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000595472283 459315271 /nfs/dbraw/zinc/31/52/71/459315271.db2.gz KCLDKQQTMQGHHO-IGCXYCKISA-N 1 2 335.404 3.061 20 5 EGBDLO Cc1noc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000595472283 459315277 /nfs/dbraw/zinc/31/52/77/459315277.db2.gz KCLDKQQTMQGHHO-IGCXYCKISA-N 1 2 335.404 3.061 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](C2CCC2)C1 ZINC000591126706 459318426 /nfs/dbraw/zinc/31/84/26/459318426.db2.gz LEJGKQPDODVNJE-HNNXBMFYSA-N 1 2 340.383 3.043 20 5 EGBDLO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000595482663 459319156 /nfs/dbraw/zinc/31/91/56/459319156.db2.gz TVVPOBCHGSIBMD-LBPRGKRZSA-N 1 2 325.752 3.022 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000483995303 459401080 /nfs/dbraw/zinc/40/10/80/459401080.db2.gz QZIDGAUWOWFVMT-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000483995303 459401085 /nfs/dbraw/zinc/40/10/85/459401085.db2.gz QZIDGAUWOWFVMT-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593059348 459759388 /nfs/dbraw/zinc/75/93/88/459759388.db2.gz PIFPUUNSQUBWNS-HIFRSBDPSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593059348 459759391 /nfs/dbraw/zinc/75/93/91/459759391.db2.gz PIFPUUNSQUBWNS-HIFRSBDPSA-N 1 2 346.387 3.034 20 5 EGBDLO C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598460954 459903983 /nfs/dbraw/zinc/90/39/83/459903983.db2.gz XPPLXCKOZLBTCM-LLVKDONJSA-N 1 2 330.388 3.117 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CC2(CCC2)C1 ZINC000593516273 459913159 /nfs/dbraw/zinc/91/31/59/459913159.db2.gz LXMOGRVBUAYBPI-UHFFFAOYSA-N 1 2 331.416 3.172 20 5 EGBDLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602475259 459957937 /nfs/dbraw/zinc/95/79/37/459957937.db2.gz RXNNABRJGPIXMZ-IUCAKERBSA-N 1 2 349.250 3.154 20 5 EGBDLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602475259 459957943 /nfs/dbraw/zinc/95/79/43/459957943.db2.gz RXNNABRJGPIXMZ-IUCAKERBSA-N 1 2 349.250 3.154 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000589300739 460067731 /nfs/dbraw/zinc/06/77/31/460067731.db2.gz CEYIXIDSPGRUSN-WBVHZDCISA-N 1 2 342.399 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000589300739 460067738 /nfs/dbraw/zinc/06/77/38/460067738.db2.gz CEYIXIDSPGRUSN-WBVHZDCISA-N 1 2 342.399 3.005 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000576097132 460068638 /nfs/dbraw/zinc/06/86/38/460068638.db2.gz HWWQSGBRFFTNEV-IRXDYDNUSA-N 1 2 334.416 3.383 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000576097132 460068643 /nfs/dbraw/zinc/06/86/43/460068643.db2.gz HWWQSGBRFFTNEV-IRXDYDNUSA-N 1 2 334.416 3.383 20 5 EGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)on1 ZINC000610581318 460188000 /nfs/dbraw/zinc/18/80/00/460188000.db2.gz YHQKHYNYDKOJEA-CYBMUJFWSA-N 1 2 328.328 3.370 20 5 EGBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)on1 ZINC000610581318 460188007 /nfs/dbraw/zinc/18/80/07/460188007.db2.gz YHQKHYNYDKOJEA-CYBMUJFWSA-N 1 2 328.328 3.370 20 5 EGBDLO Cc1cc(N[C@@H](C)C[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611132851 460293991 /nfs/dbraw/zinc/29/39/91/460293991.db2.gz ZMMXSQBXYRFXFX-GXTWGEPZSA-N 1 2 342.399 3.009 20 5 EGBDLO O=C(NCCCCn1cc[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000604197177 460388399 /nfs/dbraw/zinc/38/83/99/460388399.db2.gz GBRDGIDMNUUVBO-UHFFFAOYSA-N 1 2 344.396 3.216 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000617399788 460847086 /nfs/dbraw/zinc/84/70/86/460847086.db2.gz LPHUAAOKCCMTOU-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO O=[N+]([O-])c1ccc2ncnc(NCCc3[nH]c4ccccc4[nH+]3)c2c1 ZINC000611699913 469304857 /nfs/dbraw/zinc/30/48/57/469304857.db2.gz JPETZGSMONBIKL-UHFFFAOYSA-N 1 2 334.339 3.069 20 5 EGBDLO COc1ccc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000729987800 574901870 /nfs/dbraw/zinc/90/18/70/574901870.db2.gz SGTKQZBNEPSNPT-UHFFFAOYSA-N 1 2 349.774 3.498 20 5 EGBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000731669700 575195856 /nfs/dbraw/zinc/19/58/56/575195856.db2.gz LGIBUUYLFAUWAX-ZDUSSCGKSA-N 1 2 335.404 3.036 20 5 EGBDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000731669700 575195858 /nfs/dbraw/zinc/19/58/58/575195858.db2.gz LGIBUUYLFAUWAX-ZDUSSCGKSA-N 1 2 335.404 3.036 20 5 EGBDLO C[C@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733198744 575319528 /nfs/dbraw/zinc/31/95/28/575319528.db2.gz TYYDLVYFMPXUDI-KBPBESRZSA-N 1 2 349.431 3.425 20 5 EGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@]1(O)CCc2ccccc21 ZINC000829378220 1292568448 /nfs/dbraw/zinc/56/84/48/1292568448.db2.gz VYGFEBYAOXGLMQ-GOSISDBHSA-N 1 2 348.349 3.139 20 5 EGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@]1(O)CCc2ccccc21 ZINC000829378220 1292568456 /nfs/dbraw/zinc/56/84/56/1292568456.db2.gz VYGFEBYAOXGLMQ-GOSISDBHSA-N 1 2 348.349 3.139 20 5 EGBDLO CS[C@H](C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835381901 1293279234 /nfs/dbraw/zinc/27/92/34/1293279234.db2.gz HEVPDJBCFZUDJH-WDEREUQCSA-N 1 2 335.385 3.077 20 5 EGBDLO C[N@H+](CCOCC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000120404359 1293319743 /nfs/dbraw/zinc/31/97/43/1293319743.db2.gz WXOSJQSBMAQXDP-UHFFFAOYSA-N 1 2 337.401 3.188 20 5 EGBDLO C[N@@H+](CCOCC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000120404359 1293319753 /nfs/dbraw/zinc/31/97/53/1293319753.db2.gz WXOSJQSBMAQXDP-UHFFFAOYSA-N 1 2 337.401 3.188 20 5 EGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccc([N+](=O)[O-])cc1 ZINC000160772033 1294277153 /nfs/dbraw/zinc/27/71/53/1294277153.db2.gz BPYVVQCAEBJXNK-UHFFFAOYSA-N 1 2 340.387 3.144 20 5 EGBDLO Cc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000170922769 1294387649 /nfs/dbraw/zinc/38/76/49/1294387649.db2.gz OLQDRRQVENDAKX-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1cccc2c1CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000170922769 1294387657 /nfs/dbraw/zinc/38/76/57/1294387657.db2.gz OLQDRRQVENDAKX-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000172894251 1294448226 /nfs/dbraw/zinc/44/82/26/1294448226.db2.gz DSBPUHNIUSKAAH-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000180422875 1294886239 /nfs/dbraw/zinc/88/62/39/1294886239.db2.gz BNRRXEHOWMYNHM-SNVBAGLBSA-N 1 2 342.311 3.495 20 5 EGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCC2(CCC2)C1=O ZINC000872565137 1297003501 /nfs/dbraw/zinc/00/35/01/1297003501.db2.gz FNWAMLZTZMGXMT-UHFFFAOYSA-N 1 2 331.416 3.165 20 5 EGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCC2(CCC2)C1=O ZINC000872565137 1297003517 /nfs/dbraw/zinc/00/35/17/1297003517.db2.gz FNWAMLZTZMGXMT-UHFFFAOYSA-N 1 2 331.416 3.165 20 5 EGBDLO CCOc1cccc(F)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000873043781 1297244004 /nfs/dbraw/zinc/24/40/04/1297244004.db2.gz SSIPJBMJBKPXDZ-UHFFFAOYSA-N 1 2 334.347 3.431 20 5 EGBDLO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746043528 1298517231 /nfs/dbraw/zinc/51/72/31/1298517231.db2.gz YRMKYZZBNPBWHJ-UHFFFAOYSA-N 1 2 328.294 3.290 20 5 EGBDLO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746043528 1298517237 /nfs/dbraw/zinc/51/72/37/1298517237.db2.gz YRMKYZZBNPBWHJ-UHFFFAOYSA-N 1 2 328.294 3.290 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000769772243 1303172939 /nfs/dbraw/zinc/17/29/39/1303172939.db2.gz NUTBLKXBUVXALN-LLVKDONJSA-N 1 2 348.790 3.002 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887100599 1303675481 /nfs/dbraw/zinc/67/54/81/1303675481.db2.gz IXAHLJPYKRYRSR-UHFFFAOYSA-N 1 2 341.358 3.351 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887100599 1303675486 /nfs/dbraw/zinc/67/54/86/1303675486.db2.gz IXAHLJPYKRYRSR-UHFFFAOYSA-N 1 2 341.358 3.351 20 5 EGBDLO Cc1nn(C[NH+]2CCC(c3ccc(F)cc3C)CC2)cc1[N+](=O)[O-] ZINC000793549395 1309402977 /nfs/dbraw/zinc/40/29/77/1309402977.db2.gz ZTQCUTSMKAUDEQ-UHFFFAOYSA-N 1 2 332.379 3.384 20 5 EGBDLO CC(C)OC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000895829840 1309542337 /nfs/dbraw/zinc/54/23/37/1309542337.db2.gz VJYLMXKAJGABGJ-UHFFFAOYSA-N 1 2 340.807 3.412 20 5 EGBDLO CS[C@@H](C)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000797203511 1310156749 /nfs/dbraw/zinc/15/67/49/1310156749.db2.gz FGPMRAWPOZQGTI-MNOVXSKESA-N 1 2 335.385 3.077 20 5 EGBDLO CC[C@@H](C)[N@H+](CC[N+](=O)[O-])CC(=O)Nc1ccccc1C(F)(F)F ZINC000929244095 1328547266 /nfs/dbraw/zinc/54/72/66/1328547266.db2.gz GQXGHKAEQAYICL-LLVKDONJSA-N 1 2 347.337 3.021 20 5 EGBDLO CC[C@@H](C)[N@@H+](CC[N+](=O)[O-])CC(=O)Nc1ccccc1C(F)(F)F ZINC000929244095 1328547269 /nfs/dbraw/zinc/54/72/69/1328547269.db2.gz GQXGHKAEQAYICL-LLVKDONJSA-N 1 2 347.337 3.021 20 5 EGBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccn2cc[nH+]c2c1 ZINC000810227936 1317981284 /nfs/dbraw/zinc/98/12/84/1317981284.db2.gz NKYFRVMQSZVMMF-UHFFFAOYSA-N 1 2 345.746 3.218 20 5 EGBDLO Cc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813172898 1318511163 /nfs/dbraw/zinc/51/11/63/1318511163.db2.gz SGTNVEOYGQDDKH-HNNXBMFYSA-N 1 2 346.408 3.396 20 5 EGBDLO Cc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000813172898 1318511168 /nfs/dbraw/zinc/51/11/68/1318511168.db2.gz SGTNVEOYGQDDKH-HNNXBMFYSA-N 1 2 346.408 3.396 20 5 EGBDLO Cc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(C)o1 ZINC000813173482 1318511524 /nfs/dbraw/zinc/51/15/24/1318511524.db2.gz DBMDQXHADFVWQX-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO Cc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c(C)o1 ZINC000813173482 1318511529 /nfs/dbraw/zinc/51/15/29/1318511529.db2.gz DBMDQXHADFVWQX-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO CC(C)O[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000842610205 1321406198 /nfs/dbraw/zinc/40/61/98/1321406198.db2.gz BFDGRCGJHWVWGO-GFCCVEGCSA-N 1 2 337.401 3.329 20 5 EGBDLO CC(C)O[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000842610205 1321406200 /nfs/dbraw/zinc/40/62/00/1321406200.db2.gz BFDGRCGJHWVWGO-GFCCVEGCSA-N 1 2 337.401 3.329 20 5 EGBDLO Cc1cccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000849195382 1322097643 /nfs/dbraw/zinc/09/76/43/1322097643.db2.gz SJGWTNKYEJAWJW-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO Cc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000927106697 1327868079 /nfs/dbraw/zinc/86/80/79/1327868079.db2.gz RTYYGQVLGNFJMC-UHFFFAOYSA-N 1 2 340.383 3.015 20 5 EGBDLO Cc1noc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC000932212471 1329796400 /nfs/dbraw/zinc/79/64/00/1329796400.db2.gz CTSLULSSFMXSLP-ZDUSSCGKSA-N 1 2 329.356 3.427 20 5 EGBDLO Cc1cc(C)c(C(=O)NCCCNc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC001094913125 1361940740 /nfs/dbraw/zinc/94/07/40/1361940740.db2.gz MJZXISOBQMIZMH-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH+]c2ccccc12 ZINC001325232237 1387919710 /nfs/dbraw/zinc/91/97/10/1387919710.db2.gz RYWGYJYTHSSEHA-UHFFFAOYSA-N 1 2 349.394 3.173 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3cccc([N+](=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC001204414772 1370470472 /nfs/dbraw/zinc/47/04/72/1370470472.db2.gz CLOAKQLZTSPDRW-BETUJISGSA-N 1 2 328.372 3.347 20 5 EGBDLO Cc1ccccc1NC(=O)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116329074 1370887752 /nfs/dbraw/zinc/88/77/52/1370887752.db2.gz ARSMRBHSRKHWIB-UHFFFAOYSA-N 1 2 325.368 3.248 20 5 EGBDLO Cc1ccccc1NC(=O)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116329074 1370887755 /nfs/dbraw/zinc/88/77/55/1370887755.db2.gz ARSMRBHSRKHWIB-UHFFFAOYSA-N 1 2 325.368 3.248 20 5 EGBDLO Cc1ccc(-c2nnc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)o2)o1 ZINC001117240616 1371027543 /nfs/dbraw/zinc/02/75/43/1371027543.db2.gz VYXGIGLBUYLABH-UHFFFAOYSA-N 1 2 337.295 3.399 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001216490094 1373311672 /nfs/dbraw/zinc/31/16/72/1373311672.db2.gz IYCKHWMJJGFEQS-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]CC2(F)F)c(Cl)cc1Cl ZINC001218007929 1373534569 /nfs/dbraw/zinc/53/45/69/1373534569.db2.gz SHDODWSPIYXRGA-JTQLQIEISA-N 1 2 327.114 3.278 20 5 EGBDLO O=[N+]([O-])c1cccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1F ZINC001225794680 1375156669 /nfs/dbraw/zinc/15/66/69/1375156669.db2.gz WQYJAQZJBDALSV-OAHLLOKOSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1cccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1F ZINC001225794680 1375156672 /nfs/dbraw/zinc/15/66/72/1375156672.db2.gz WQYJAQZJBDALSV-OAHLLOKOSA-N 1 2 346.358 3.014 20 5 EGBDLO Cc1cc[nH+]c(N2CCC(Oc3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC001229396728 1375827782 /nfs/dbraw/zinc/82/77/82/1375827782.db2.gz XQUAXQURJWUJDQ-UHFFFAOYSA-N 1 2 329.356 3.052 20 5 EGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC001173223924 1384939306 /nfs/dbraw/zinc/93/93/06/1384939306.db2.gz BRWGBCBCNJRUDQ-CYBMUJFWSA-N 1 2 349.431 3.077 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001341946325 1390553283 /nfs/dbraw/zinc/55/32/83/1390553283.db2.gz SYCPCDIULOKFIL-OAHLLOKOSA-N 1 2 333.432 3.155 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2nnc(-c3ccco3)o2)C2CC2)cc1 ZINC000179521281 233134484 /nfs/dbraw/zinc/13/44/84/233134484.db2.gz TUXICQULXXHNMZ-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2nnc(-c3ccco3)o2)C2CC2)cc1 ZINC000179521281 233134491 /nfs/dbraw/zinc/13/44/91/233134491.db2.gz TUXICQULXXHNMZ-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccco1 ZINC000023992916 202110582 /nfs/dbraw/zinc/11/05/82/202110582.db2.gz OCAQBDLOCKMQDK-SNVBAGLBSA-N 1 2 337.763 3.300 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccco1 ZINC000023992916 202110586 /nfs/dbraw/zinc/11/05/86/202110586.db2.gz OCAQBDLOCKMQDK-SNVBAGLBSA-N 1 2 337.763 3.300 20 5 EGBDLO Cc1ccc(O)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000050177387 201124647 /nfs/dbraw/zinc/12/46/47/201124647.db2.gz NNUGJPUVFVTNRR-UHFFFAOYSA-N 1 2 338.323 3.047 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000191322284 239040113 /nfs/dbraw/zinc/04/01/13/239040113.db2.gz FIZXJWXQQGKPTR-UHFFFAOYSA-N 1 2 343.387 3.277 20 5 EGBDLO Cc1cc(N[C@H]2CCC[C@]2(C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000076061007 203334220 /nfs/dbraw/zinc/33/42/20/203334220.db2.gz NBYDIQPQZFJEOH-MAUKXSAKSA-N 1 2 342.399 3.323 20 5 EGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000043600941 204286421 /nfs/dbraw/zinc/28/64/21/204286421.db2.gz DLMNKZCXGZNSQV-VIFPVBQESA-N 1 2 325.166 3.054 20 5 EGBDLO CCc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125342139 205005724 /nfs/dbraw/zinc/00/57/24/205005724.db2.gz JKGZSJNKZOTORB-CXAGYDPISA-N 1 2 342.399 3.077 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126438112 205056354 /nfs/dbraw/zinc/05/63/54/205056354.db2.gz LBVQHJWQPVIDGV-XHDPSFHLSA-N 1 2 348.790 3.168 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(n2cc[nH+]c2)CC1 ZINC000263803161 245698866 /nfs/dbraw/zinc/69/88/66/245698866.db2.gz MFFDHELFKQFXMV-UHFFFAOYSA-N 1 2 340.339 3.015 20 5 EGBDLO CCc1noc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000174246743 207003110 /nfs/dbraw/zinc/00/31/10/207003110.db2.gz KXXWRVJFKDFMOU-LBPRGKRZSA-N 1 2 346.387 3.145 20 5 EGBDLO Cc1cnc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)s1 ZINC000175861057 207167038 /nfs/dbraw/zinc/16/70/38/207167038.db2.gz KREDMZFDTJYLRS-SNVBAGLBSA-N 1 2 335.385 3.077 20 5 EGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373059690 285170879 /nfs/dbraw/zinc/17/08/79/285170879.db2.gz QXGMZAXIYDKVSS-UHFFFAOYSA-N 1 2 341.293 3.116 20 5 EGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000373059690 285170881 /nfs/dbraw/zinc/17/08/81/285170881.db2.gz QXGMZAXIYDKVSS-UHFFFAOYSA-N 1 2 341.293 3.116 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000338378553 141112496 /nfs/dbraw/zinc/11/24/96/141112496.db2.gz VEYBHTCKLKJROV-OAHLLOKOSA-N 1 2 338.770 3.015 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@](F)(c3cccc(Cl)c3)C2)c1 ZINC000338378553 141112498 /nfs/dbraw/zinc/11/24/98/141112498.db2.gz VEYBHTCKLKJROV-OAHLLOKOSA-N 1 2 338.770 3.015 20 5 EGBDLO Cn1c[nH+]c2cc(Nc3ncnc4sc([N+](=O)[O-])cc43)ccc21 ZINC000342849585 141152473 /nfs/dbraw/zinc/15/24/73/141152473.db2.gz NAPKZEHXORHCDO-UHFFFAOYSA-N 1 2 326.341 3.230 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1F ZINC000184239469 286218614 /nfs/dbraw/zinc/21/86/14/286218614.db2.gz YWZCGMGXUOGWJD-OAHLLOKOSA-N 1 2 333.363 3.418 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])cc1F ZINC000184239469 286218616 /nfs/dbraw/zinc/21/86/16/286218616.db2.gz YWZCGMGXUOGWJD-OAHLLOKOSA-N 1 2 333.363 3.418 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346964025 156219470 /nfs/dbraw/zinc/21/94/70/156219470.db2.gz HTJPFSAFFBEITJ-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346964025 156219472 /nfs/dbraw/zinc/21/94/72/156219472.db2.gz HTJPFSAFFBEITJ-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000372742481 157375086 /nfs/dbraw/zinc/37/50/86/157375086.db2.gz QIOXQFMPNHZCEJ-CYBMUJFWSA-N 1 2 343.387 3.107 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccccc1-n1cc[nH+]c1 ZINC000129711142 162363646 /nfs/dbraw/zinc/36/36/46/162363646.db2.gz WVIKNOJNEZXNAP-UHFFFAOYSA-N 1 2 340.314 3.101 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000338880989 163373340 /nfs/dbraw/zinc/37/33/40/163373340.db2.gz NJXNAKUGZHIXDW-GOEBONIOSA-N 1 2 344.415 3.400 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000338880992 163373382 /nfs/dbraw/zinc/37/33/82/163373382.db2.gz NJXNAKUGZHIXDW-HOCLYGCPSA-N 1 2 344.415 3.400 20 5 EGBDLO CC1(C)CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000343976285 164075907 /nfs/dbraw/zinc/07/59/07/164075907.db2.gz IEQWLMWQTRKOSX-AWEZNQCLSA-N 1 2 342.399 3.479 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccco1)C(C)C ZINC000346347616 164372435 /nfs/dbraw/zinc/37/24/35/164372435.db2.gz NMSZSZHFANSHRS-UHFFFAOYSA-N 1 2 331.372 3.345 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccco1)C(C)C ZINC000346347616 164372436 /nfs/dbraw/zinc/37/24/36/164372436.db2.gz NMSZSZHFANSHRS-UHFFFAOYSA-N 1 2 331.372 3.345 20 5 EGBDLO Cc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1[N+](=O)[O-] ZINC000355003640 166083725 /nfs/dbraw/zinc/08/37/25/166083725.db2.gz SHTJHUFUWOTPDT-UHFFFAOYSA-N 1 2 349.394 3.219 20 5 EGBDLO C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000352178287 165269543 /nfs/dbraw/zinc/26/95/43/165269543.db2.gz LLHITIZAUKOCMJ-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000352178287 165269547 /nfs/dbraw/zinc/26/95/47/165269547.db2.gz LLHITIZAUKOCMJ-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO CCc1ccc(C2=CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000367412882 168221971 /nfs/dbraw/zinc/22/19/71/168221971.db2.gz NCUAIPODVCQNCU-UHFFFAOYSA-N 1 2 326.400 3.180 20 5 EGBDLO CCc1ccc(C2=CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000367412882 168221973 /nfs/dbraw/zinc/22/19/73/168221973.db2.gz NCUAIPODVCQNCU-UHFFFAOYSA-N 1 2 326.400 3.180 20 5 EGBDLO COC(=O)[C@H](C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000177414653 265252556 /nfs/dbraw/zinc/25/25/56/265252556.db2.gz ZDUULWSIAAEJDW-PXAZEXFGSA-N 1 2 346.358 3.374 20 5 EGBDLO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000273452362 267041759 /nfs/dbraw/zinc/04/17/59/267041759.db2.gz LLFAFMKMRIVFBH-NHYWBVRUSA-N 1 2 347.350 3.045 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 ZINC000015298285 275121841 /nfs/dbraw/zinc/12/18/41/275121841.db2.gz JJJBAQWJFGERGY-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 ZINC000015298285 275121842 /nfs/dbraw/zinc/12/18/42/275121842.db2.gz JJJBAQWJFGERGY-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(O)c1 ZINC000181499099 275207397 /nfs/dbraw/zinc/20/73/97/275207397.db2.gz HQQGVQHWXSDKNG-LLVKDONJSA-N 1 2 340.339 3.201 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279792119 275359818 /nfs/dbraw/zinc/35/98/18/275359818.db2.gz OMLNLPFGHYYBGW-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279792119 275359820 /nfs/dbraw/zinc/35/98/20/275359820.db2.gz OMLNLPFGHYYBGW-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO COCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289621059 276367627 /nfs/dbraw/zinc/36/76/27/276367627.db2.gz VCTGQIFJFPKCKP-LBPRGKRZSA-N 1 2 349.214 3.139 20 5 EGBDLO COCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000289621059 276367629 /nfs/dbraw/zinc/36/76/29/276367629.db2.gz VCTGQIFJFPKCKP-LBPRGKRZSA-N 1 2 349.214 3.139 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482637 295255134 /nfs/dbraw/zinc/25/51/34/295255134.db2.gz FFSXSOIHMRHSNA-KRWDZBQOSA-N 1 2 346.383 3.378 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482637 295255135 /nfs/dbraw/zinc/25/51/35/295255135.db2.gz FFSXSOIHMRHSNA-KRWDZBQOSA-N 1 2 346.383 3.378 20 5 EGBDLO Cc1cc(N[C@@H]2CS[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413513130 309035258 /nfs/dbraw/zinc/03/52/58/309035258.db2.gz IMTCPBHRBCGDKA-YPMHNXCESA-N 1 2 330.413 3.088 20 5 EGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000132050894 307653372 /nfs/dbraw/zinc/65/33/72/307653372.db2.gz KYTHDOCEOFDEKL-UHFFFAOYSA-N 1 2 329.356 3.348 20 5 EGBDLO Cc1cccn2cc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH+]c12 ZINC000136988222 307714959 /nfs/dbraw/zinc/71/49/59/307714959.db2.gz MSMZANUEMRKXCQ-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2CF)c([N+](=O)[O-])cc1OCC(F)F ZINC000293142984 308103427 /nfs/dbraw/zinc/10/34/27/308103427.db2.gz SXVFFNAFZRZZMW-NSHDSACASA-N 1 2 348.321 3.181 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2CF)c([N+](=O)[O-])cc1OCC(F)F ZINC000293142984 308103429 /nfs/dbraw/zinc/10/34/29/308103429.db2.gz SXVFFNAFZRZZMW-NSHDSACASA-N 1 2 348.321 3.181 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CF)CC1 ZINC000295213405 308303400 /nfs/dbraw/zinc/30/34/00/308303400.db2.gz WUVUYTFFQQIKAB-JTQLQIEISA-N 1 2 343.786 3.257 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000295835179 308365222 /nfs/dbraw/zinc/36/52/22/308365222.db2.gz ITZZFLKIQGCKPT-CYBMUJFWSA-N 1 2 348.790 3.205 20 5 EGBDLO CS[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296088953 308392407 /nfs/dbraw/zinc/39/24/07/308392407.db2.gz CXWABHIRHSFKQK-ONGXEEELSA-N 1 2 343.836 3.013 20 5 EGBDLO CS[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296088953 308392409 /nfs/dbraw/zinc/39/24/09/308392409.db2.gz CXWABHIRHSFKQK-ONGXEEELSA-N 1 2 343.836 3.013 20 5 EGBDLO CS[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296088936 308392443 /nfs/dbraw/zinc/39/24/43/308392443.db2.gz CXWABHIRHSFKQK-KOLCDFICSA-N 1 2 343.836 3.013 20 5 EGBDLO CS[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296088936 308392445 /nfs/dbraw/zinc/39/24/45/308392445.db2.gz CXWABHIRHSFKQK-KOLCDFICSA-N 1 2 343.836 3.013 20 5 EGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](CC(F)F)CC1 ZINC000297820783 308565973 /nfs/dbraw/zinc/56/59/73/308565973.db2.gz MGARANSMVWBZFU-UHFFFAOYSA-N 1 2 347.749 3.164 20 5 EGBDLO CCC(O)(CC)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301064855 308686757 /nfs/dbraw/zinc/68/67/57/308686757.db2.gz AKWPYRRGRWBWFM-UHFFFAOYSA-N 1 2 330.388 3.323 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)c2c1 ZINC000413308649 309026142 /nfs/dbraw/zinc/02/61/42/309026142.db2.gz ADDQMNDCZYHJNQ-IIAWOOMASA-N 1 2 327.384 3.130 20 5 EGBDLO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000425517865 309484026 /nfs/dbraw/zinc/48/40/26/309484026.db2.gz XOBGJQRIOPMEFY-UHFFFAOYSA-N 1 2 338.795 3.015 20 5 EGBDLO O=[N+]([O-])c1cccc2c(NCCc3cn4ccccc4[nH+]3)ccnc21 ZINC000432312790 309656984 /nfs/dbraw/zinc/65/69/84/309656984.db2.gz IHGQNSFVKLQZDU-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2ccc(CNc3cccc(CO)[nH+]3)o2)c1 ZINC000432749389 309667712 /nfs/dbraw/zinc/66/77/12/309667712.db2.gz UGOOYJWQADEAQK-UHFFFAOYSA-N 1 2 325.324 3.354 20 5 EGBDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444684875 309925611 /nfs/dbraw/zinc/92/56/11/309925611.db2.gz LYTORRUFNFOSIH-JTQLQIEISA-N 1 2 344.346 3.470 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448568523 310006554 /nfs/dbraw/zinc/00/65/54/310006554.db2.gz IWVBACVXCJESPY-OCCSQVGLSA-N 1 2 328.372 3.089 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1C1CCC1 ZINC000448902200 310023116 /nfs/dbraw/zinc/02/31/16/310023116.db2.gz UKKYHLTVQWXNNX-HNNXBMFYSA-N 1 2 340.383 3.185 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450826619 310144558 /nfs/dbraw/zinc/14/45/58/310144558.db2.gz GKGQWVLAMAKKSU-ZWNOBZJWSA-N 1 2 330.344 3.004 20 5 EGBDLO CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548045 310185002 /nfs/dbraw/zinc/18/50/02/310185002.db2.gz MCJYEPLOHUCYAA-TZMCWYRMSA-N 1 2 346.387 3.065 20 5 EGBDLO CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548045 310185003 /nfs/dbraw/zinc/18/50/03/310185003.db2.gz MCJYEPLOHUCYAA-TZMCWYRMSA-N 1 2 346.387 3.065 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3noc(C4CC4)n3)C2)cc1 ZINC000451554208 310186075 /nfs/dbraw/zinc/18/60/75/310186075.db2.gz ZPJSWEYCCWHYHU-AWEZNQCLSA-N 1 2 328.372 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3noc(C4CC4)n3)C2)cc1 ZINC000451554208 310186076 /nfs/dbraw/zinc/18/60/76/310186076.db2.gz ZPJSWEYCCWHYHU-AWEZNQCLSA-N 1 2 328.372 3.235 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000451641710 310190665 /nfs/dbraw/zinc/19/06/65/310190665.db2.gz JEXWBJJVJZJUIW-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)CCO2 ZINC000451641710 310190666 /nfs/dbraw/zinc/19/06/66/310190666.db2.gz JEXWBJJVJZJUIW-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454624861 310320829 /nfs/dbraw/zinc/32/08/29/310320829.db2.gz WAWKYUNOBHYVNS-OBJOEFQTSA-N 1 2 343.387 3.166 20 5 EGBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000456197252 310393078 /nfs/dbraw/zinc/39/30/78/310393078.db2.gz XSMQABJXXVLDPR-GFCCVEGCSA-N 1 2 343.387 3.197 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000462603335 310602464 /nfs/dbraw/zinc/60/24/64/310602464.db2.gz QHUCRBJNLGYCTH-CQSZACIVSA-N 1 2 338.367 3.450 20 5 EGBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000488080152 311050534 /nfs/dbraw/zinc/05/05/34/311050534.db2.gz AJYGQWHIVIMQMK-UHFFFAOYSA-N 1 2 345.362 3.363 20 5 EGBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCCCNc1cccc[nH+]1 ZINC000491508342 311182580 /nfs/dbraw/zinc/18/25/80/311182580.db2.gz XOQVAUNHJOQOKG-KHPPLWFESA-N 1 2 340.383 3.012 20 5 EGBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000493520194 311389346 /nfs/dbraw/zinc/38/93/46/311389346.db2.gz JTSCJUOCWLLNDO-FPLPWBNLSA-N 1 2 343.387 3.283 20 5 EGBDLO CC[C@]([NH2+]CCc1ccc([N+](=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000512286539 312181540 /nfs/dbraw/zinc/18/15/40/312181540.db2.gz OYCNWPXSZDLIEC-LJQANCHMSA-N 1 2 342.395 3.205 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000181829991 323506764 /nfs/dbraw/zinc/50/67/64/323506764.db2.gz ODZOSIRKSIIVPT-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO Cc1[nH+]c2ccccc2n1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350826467 324125780 /nfs/dbraw/zinc/12/57/80/324125780.db2.gz WYAWZNGBDWMFBZ-UHFFFAOYSA-N 1 2 341.352 3.413 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000010341473 453287043 /nfs/dbraw/zinc/28/70/43/453287043.db2.gz HALQCSKVBMRGEU-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2sccc2C1 ZINC000010341473 453287051 /nfs/dbraw/zinc/28/70/51/453287051.db2.gz HALQCSKVBMRGEU-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612346626 460602582 /nfs/dbraw/zinc/60/25/82/460602582.db2.gz KYDSACZYPKZLJR-UHFFFAOYSA-N 1 2 346.412 3.420 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591662 453613787 /nfs/dbraw/zinc/61/37/87/453613787.db2.gz XEQADJJEBXRWQY-LLVKDONJSA-N 1 2 345.321 3.116 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591662 453613794 /nfs/dbraw/zinc/61/37/94/453613794.db2.gz XEQADJJEBXRWQY-LLVKDONJSA-N 1 2 345.321 3.116 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000017307550 453632873 /nfs/dbraw/zinc/63/28/73/453632873.db2.gz DNGGLGIPRNMPER-UHFFFAOYSA-N 1 2 349.412 3.126 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000017307550 453632876 /nfs/dbraw/zinc/63/28/76/453632876.db2.gz DNGGLGIPRNMPER-UHFFFAOYSA-N 1 2 349.412 3.126 20 5 EGBDLO Cc1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000020667705 453667064 /nfs/dbraw/zinc/66/70/64/453667064.db2.gz LCSPPGOPMMGGRY-UHFFFAOYSA-N 1 2 341.415 3.143 20 5 EGBDLO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991312 453720916 /nfs/dbraw/zinc/72/09/16/453720916.db2.gz UWTSVYDXRVUOPF-LLVKDONJSA-N 1 2 325.796 3.451 20 5 EGBDLO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991312 453720919 /nfs/dbraw/zinc/72/09/19/453720919.db2.gz UWTSVYDXRVUOPF-LLVKDONJSA-N 1 2 325.796 3.451 20 5 EGBDLO Cc1ccc(C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000052994169 453852330 /nfs/dbraw/zinc/85/23/30/453852330.db2.gz OHOVAZKDWDDXRR-UHFFFAOYSA-N 1 2 343.383 3.124 20 5 EGBDLO Cc1ccc(C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000052994169 453852332 /nfs/dbraw/zinc/85/23/32/453852332.db2.gz OHOVAZKDWDDXRR-UHFFFAOYSA-N 1 2 343.383 3.124 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3c(cccc3OC)C2)c([N+](=O)[O-])cc1F ZINC000184403521 455376813 /nfs/dbraw/zinc/37/68/13/455376813.db2.gz RBTBTONADMXRQC-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc(C[N@H+]2CCc3c(cccc3OC)C2)c([N+](=O)[O-])cc1F ZINC000184403521 455376817 /nfs/dbraw/zinc/37/68/17/455376817.db2.gz RBTBTONADMXRQC-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO O=C(N[C@H]1CCc2ccccc21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000053475606 453882113 /nfs/dbraw/zinc/88/21/13/453882113.db2.gz RPVKTHIJMFUQFE-INIZCTEOSA-N 1 2 348.362 3.198 20 5 EGBDLO CCc1cc(NC[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053560635 453887465 /nfs/dbraw/zinc/88/74/65/453887465.db2.gz NOWRDTHKAXLDKF-GFCCVEGCSA-N 1 2 328.372 3.063 20 5 EGBDLO CCO[C@H](C)c1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000076722116 454030258 /nfs/dbraw/zinc/03/02/58/454030258.db2.gz FFMJVXGDHPQMPP-CYBMUJFWSA-N 1 2 348.403 3.486 20 5 EGBDLO CCO[C@H](C)c1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000076722116 454030259 /nfs/dbraw/zinc/03/02/59/454030259.db2.gz FFMJVXGDHPQMPP-CYBMUJFWSA-N 1 2 348.403 3.486 20 5 EGBDLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000097163059 454419686 /nfs/dbraw/zinc/41/96/86/454419686.db2.gz XNDWEVRYYCJPAC-WBMJQRKESA-N 1 2 343.387 3.215 20 5 EGBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000097238651 454429012 /nfs/dbraw/zinc/42/90/12/454429012.db2.gz STRAGCJDDXGLSJ-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091891314 454484740 /nfs/dbraw/zinc/48/47/40/454484740.db2.gz FYLXUOOJIBRQMN-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc(F)ccc2C1 ZINC000091891314 454484744 /nfs/dbraw/zinc/48/47/44/454484744.db2.gz FYLXUOOJIBRQMN-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091892747 454485526 /nfs/dbraw/zinc/48/55/26/454485526.db2.gz SWPDMPBWUSIUOG-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091892747 454485530 /nfs/dbraw/zinc/48/55/30/454485530.db2.gz SWPDMPBWUSIUOG-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091894398 454485676 /nfs/dbraw/zinc/48/56/76/454485676.db2.gz CXHHQPFDJNBJGD-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091894398 454485682 /nfs/dbraw/zinc/48/56/82/454485682.db2.gz CXHHQPFDJNBJGD-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000102408818 454502896 /nfs/dbraw/zinc/50/28/96/454502896.db2.gz BAYCUCSRUHWFKY-UHFFFAOYSA-N 1 2 337.763 3.302 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000102408818 454502900 /nfs/dbraw/zinc/50/29/00/454502900.db2.gz BAYCUCSRUHWFKY-UHFFFAOYSA-N 1 2 337.763 3.302 20 5 EGBDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000074048504 454525934 /nfs/dbraw/zinc/52/59/34/454525934.db2.gz CUMBUBPQSLKTJG-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000080442744 454582344 /nfs/dbraw/zinc/58/23/44/454582344.db2.gz UBRUHPKFZZSXLR-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000104677835 454595138 /nfs/dbraw/zinc/59/51/38/454595138.db2.gz VCAKEWYXLRGZSH-SNVBAGLBSA-N 1 2 333.310 3.114 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000104677835 454595141 /nfs/dbraw/zinc/59/51/41/454595141.db2.gz VCAKEWYXLRGZSH-SNVBAGLBSA-N 1 2 333.310 3.114 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(O)c1 ZINC000080919958 454647248 /nfs/dbraw/zinc/64/72/48/454647248.db2.gz BWLHGKXPXSNLDD-UHFFFAOYSA-N 1 2 349.774 3.024 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccc(O)c1 ZINC000080919958 454647252 /nfs/dbraw/zinc/64/72/52/454647252.db2.gz BWLHGKXPXSNLDD-UHFFFAOYSA-N 1 2 349.774 3.024 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(-n2ccnc2)nc1)C1CC1 ZINC000135227905 454650465 /nfs/dbraw/zinc/65/04/65/454650465.db2.gz QQUVGNXIRNHEFU-UHFFFAOYSA-N 1 2 349.394 3.340 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(-n2ccnc2)nc1)C1CC1 ZINC000135227905 454650468 /nfs/dbraw/zinc/65/04/68/454650468.db2.gz QQUVGNXIRNHEFU-UHFFFAOYSA-N 1 2 349.394 3.340 20 5 EGBDLO Cc1ccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000093413262 454713493 /nfs/dbraw/zinc/71/34/93/454713493.db2.gz SSNPBULDNANCSR-MRXNPFEDSA-N 1 2 340.427 3.177 20 5 EGBDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153553358 454805739 /nfs/dbraw/zinc/80/57/39/454805739.db2.gz MCDFKLJRQZXRHV-LBPRGKRZSA-N 1 2 347.371 3.046 20 5 EGBDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153553358 454805741 /nfs/dbraw/zinc/80/57/41/454805741.db2.gz MCDFKLJRQZXRHV-LBPRGKRZSA-N 1 2 347.371 3.046 20 5 EGBDLO CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000139830180 454811873 /nfs/dbraw/zinc/81/18/73/454811873.db2.gz KFIAGQOQDKRRBX-SECBINFHSA-N 1 2 326.154 3.039 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000153637739 454815616 /nfs/dbraw/zinc/81/56/16/454815616.db2.gz UUZNSGMFBXYDNB-UHFFFAOYSA-N 1 2 329.747 3.441 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000154083823 454863726 /nfs/dbraw/zinc/86/37/26/454863726.db2.gz ZJNAIWAUFSDJBD-HNNXBMFYSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000154083823 454863730 /nfs/dbraw/zinc/86/37/30/454863730.db2.gz ZJNAIWAUFSDJBD-HNNXBMFYSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1c(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cccc1[N+](=O)[O-] ZINC000164142183 454875815 /nfs/dbraw/zinc/87/58/15/454875815.db2.gz BOPQWZYCRZUWDC-UHFFFAOYSA-N 1 2 336.351 3.475 20 5 EGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000154444070 454897185 /nfs/dbraw/zinc/89/71/85/454897185.db2.gz AETITQYYKNJJBW-UHFFFAOYSA-N 1 2 340.314 3.387 20 5 EGBDLO CCC[C@@H]1SCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000118650260 455108788 /nfs/dbraw/zinc/10/87/88/455108788.db2.gz DDLUDOGXYYWUOY-HNNXBMFYSA-N 1 2 346.412 3.096 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000180573948 455199919 /nfs/dbraw/zinc/19/99/19/455199919.db2.gz QEMRWZSUXOJRIP-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000180573948 455199925 /nfs/dbraw/zinc/19/99/25/455199925.db2.gz QEMRWZSUXOJRIP-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO Cc1cnc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000161148959 455539891 /nfs/dbraw/zinc/53/98/91/455539891.db2.gz BUTUGKWCXXGWRL-UHFFFAOYSA-N 1 2 325.328 3.269 20 5 EGBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192080920 455554775 /nfs/dbraw/zinc/55/47/75/455554775.db2.gz DBPOCRUGTFMBDL-CYBMUJFWSA-N 1 2 338.791 3.166 20 5 EGBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192080920 455554779 /nfs/dbraw/zinc/55/47/79/455554779.db2.gz DBPOCRUGTFMBDL-CYBMUJFWSA-N 1 2 338.791 3.166 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000268017932 455580714 /nfs/dbraw/zinc/58/07/14/455580714.db2.gz CQBAZDLSPDDHHV-UHFFFAOYSA-N 1 2 329.356 3.323 20 5 EGBDLO Cc1cc(N[C@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000271451436 455641185 /nfs/dbraw/zinc/64/11/85/455641185.db2.gz XIJABPVBAUNVMD-OCCSQVGLSA-N 1 2 328.372 3.340 20 5 EGBDLO Cc1cc(C)cc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000192633103 455657411 /nfs/dbraw/zinc/65/74/11/455657411.db2.gz ONECKBZOSVPQGA-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1cc(C)cc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000192633103 455657416 /nfs/dbraw/zinc/65/74/16/455657416.db2.gz ONECKBZOSVPQGA-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2c(C)nc3sccn23)cc1[N+](=O)[O-] ZINC000268481743 455694671 /nfs/dbraw/zinc/69/46/71/455694671.db2.gz LHMZGZCDKBREPQ-UHFFFAOYSA-N 1 2 346.412 3.253 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2c(C)nc3sccn23)cc1[N+](=O)[O-] ZINC000268481743 455694673 /nfs/dbraw/zinc/69/46/73/455694673.db2.gz LHMZGZCDKBREPQ-UHFFFAOYSA-N 1 2 346.412 3.253 20 5 EGBDLO CCC(=O)CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284940944 455764760 /nfs/dbraw/zinc/76/47/60/455764760.db2.gz WNQOEJJWMUNXJS-UHFFFAOYSA-N 1 2 341.205 3.085 20 5 EGBDLO CCC(=O)CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284940944 455764763 /nfs/dbraw/zinc/76/47/63/455764763.db2.gz WNQOEJJWMUNXJS-UHFFFAOYSA-N 1 2 341.205 3.085 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(c2ccc([N+](=O)[O-])c3cnccc32)CC1(C)C ZINC000296311995 455906270 /nfs/dbraw/zinc/90/62/70/455906270.db2.gz NPAUJNCCZVTRNB-MRXNPFEDSA-N 1 2 337.383 3.464 20 5 EGBDLO CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])s3)c[nH+]2)CC1 ZINC000195509277 455973230 /nfs/dbraw/zinc/97/32/30/455973230.db2.gz XEQDNZHCDKMMEQ-UHFFFAOYSA-N 1 2 333.417 3.295 20 5 EGBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1(F)F ZINC000289949401 456192706 /nfs/dbraw/zinc/19/27/06/456192706.db2.gz VXMLCPYHDWZTNW-SECBINFHSA-N 1 2 347.749 3.164 20 5 EGBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1(F)F ZINC000289949401 456192711 /nfs/dbraw/zinc/19/27/11/456192711.db2.gz VXMLCPYHDWZTNW-SECBINFHSA-N 1 2 347.749 3.164 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N[C@H]3CCN(c4cccc[nH+]4)C3)ccc2c1 ZINC000301777642 456212032 /nfs/dbraw/zinc/21/20/32/456212032.db2.gz PLLJUQRHXVMUHG-AWEZNQCLSA-N 1 2 335.367 3.229 20 5 EGBDLO Cc1c[nH+]ccc1CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000301910149 456248026 /nfs/dbraw/zinc/24/80/26/456248026.db2.gz FWNUIXSHNXYGEK-UHFFFAOYSA-N 1 2 337.177 3.110 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(NC[C@H]2C[N@@H+](C3CC3)CCO2)c(Cl)c1 ZINC000302034863 456273472 /nfs/dbraw/zinc/27/34/72/456273472.db2.gz OSXBEGMCXPHIGK-NSHDSACASA-N 1 2 346.214 3.177 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(NC[C@H]2C[N@H+](C3CC3)CCO2)c(Cl)c1 ZINC000302034863 456273474 /nfs/dbraw/zinc/27/34/74/456273474.db2.gz OSXBEGMCXPHIGK-NSHDSACASA-N 1 2 346.214 3.177 20 5 EGBDLO CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352779287 456298314 /nfs/dbraw/zinc/29/83/14/456298314.db2.gz OCZXSOOQNWRIMF-MRXNPFEDSA-N 1 2 336.351 3.180 20 5 EGBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000281820143 456330993 /nfs/dbraw/zinc/33/09/93/456330993.db2.gz JRIFHQGMSAIVOR-MRXNPFEDSA-N 1 2 342.399 3.366 20 5 EGBDLO COCc1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)no1 ZINC000298118100 456368812 /nfs/dbraw/zinc/36/88/12/456368812.db2.gz OXZRBTJXPZRKTB-UHFFFAOYSA-N 1 2 345.277 3.038 20 5 EGBDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000291507538 456664445 /nfs/dbraw/zinc/66/44/45/456664445.db2.gz IAWUPOBANMXUIE-JTQLQIEISA-N 1 2 330.331 3.089 20 5 EGBDLO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000291507538 456664451 /nfs/dbraw/zinc/66/44/51/456664451.db2.gz IAWUPOBANMXUIE-JTQLQIEISA-N 1 2 330.331 3.089 20 5 EGBDLO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000338271757 456742951 /nfs/dbraw/zinc/74/29/51/456742951.db2.gz UJSKAFYVRLRDOD-UHFFFAOYSA-N 1 2 343.427 3.301 20 5 EGBDLO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000338271757 456742955 /nfs/dbraw/zinc/74/29/55/456742955.db2.gz UJSKAFYVRLRDOD-UHFFFAOYSA-N 1 2 343.427 3.301 20 5 EGBDLO Cc1cnc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000353711228 456867219 /nfs/dbraw/zinc/86/72/19/456867219.db2.gz NCKUKKLKVOGFSJ-GQCTYLIASA-N 1 2 344.440 3.195 20 5 EGBDLO CC(C)c1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341717034 456911739 /nfs/dbraw/zinc/91/17/39/456911739.db2.gz IDHMJTKACYIMNK-MRXNPFEDSA-N 1 2 342.399 3.333 20 5 EGBDLO Cc1cc(N[C@@H]2C[C@@H]2c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339098144 456939354 /nfs/dbraw/zinc/93/93/54/456939354.db2.gz NQSCWWLGEBEMDG-IAGOWNOFSA-N 1 2 347.378 3.145 20 5 EGBDLO Cc1cccnc1OC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339131673 456954852 /nfs/dbraw/zinc/95/48/52/456954852.db2.gz VFIIVZRYJMQVTG-UHFFFAOYSA-N 1 2 343.383 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000339176002 456978057 /nfs/dbraw/zinc/97/80/57/456978057.db2.gz ZDTZAVJWNDOLRW-UHFFFAOYSA-N 1 2 342.395 3.075 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000339176002 456978061 /nfs/dbraw/zinc/97/80/61/456978061.db2.gz ZDTZAVJWNDOLRW-UHFFFAOYSA-N 1 2 342.395 3.075 20 5 EGBDLO COCc1cc(NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2[nH+]1 ZINC000357175784 457359670 /nfs/dbraw/zinc/35/96/70/457359670.db2.gz RYUGFUBTXGXXKH-UHFFFAOYSA-N 1 2 341.342 3.463 20 5 EGBDLO CC(C)CCc1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352543557 457452550 /nfs/dbraw/zinc/45/25/50/457452550.db2.gz GNZUDKRJUOXOIA-UHFFFAOYSA-N 1 2 332.404 3.241 20 5 EGBDLO CC(C)CCc1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352543557 457452556 /nfs/dbraw/zinc/45/25/56/457452556.db2.gz GNZUDKRJUOXOIA-UHFFFAOYSA-N 1 2 332.404 3.241 20 5 EGBDLO CCC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000347615533 457551179 /nfs/dbraw/zinc/55/11/79/457551179.db2.gz KTBHQHKSUMVUQG-CQSZACIVSA-N 1 2 343.362 3.408 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1cccnc1)C(C)C ZINC000357615229 457622985 /nfs/dbraw/zinc/62/29/85/457622985.db2.gz TYZDQBDQMPKHEX-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1cccnc1)C(C)C ZINC000357615229 457622989 /nfs/dbraw/zinc/62/29/89/457622989.db2.gz TYZDQBDQMPKHEX-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO COc1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc([N+](=O)[O-])c1C ZINC000357662450 457645928 /nfs/dbraw/zinc/64/59/28/457645928.db2.gz PUBBYMRWYLLSBE-UHFFFAOYSA-N 1 2 340.339 3.349 20 5 EGBDLO COc1cc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc([N+](=O)[O-])c1C ZINC000357662450 457645930 /nfs/dbraw/zinc/64/59/30/457645930.db2.gz PUBBYMRWYLLSBE-UHFFFAOYSA-N 1 2 340.339 3.349 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000364946308 457719402 /nfs/dbraw/zinc/71/94/02/457719402.db2.gz FIEPWDDFWKMCJK-SJLPKXTDSA-N 1 2 346.427 3.288 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1[N+](=O)[O-] ZINC000364946308 457719404 /nfs/dbraw/zinc/71/94/04/457719404.db2.gz FIEPWDDFWKMCJK-SJLPKXTDSA-N 1 2 346.427 3.288 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000366470534 457818977 /nfs/dbraw/zinc/81/89/77/457818977.db2.gz VANHJFXYYSADLH-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000366470534 457818984 /nfs/dbraw/zinc/81/89/84/457818984.db2.gz VANHJFXYYSADLH-WBMJQRKESA-N 1 2 340.807 3.018 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1occc1C ZINC000412025851 458050477 /nfs/dbraw/zinc/05/04/77/458050477.db2.gz JZPGSOQWLHNBQZ-UHFFFAOYSA-N 1 2 331.372 3.265 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1occc1C ZINC000412025851 458050482 /nfs/dbraw/zinc/05/04/82/458050482.db2.gz JZPGSOQWLHNBQZ-UHFFFAOYSA-N 1 2 331.372 3.265 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000430208268 458420672 /nfs/dbraw/zinc/42/06/72/458420672.db2.gz TYECDRFIRLXOGK-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000430208268 458420676 /nfs/dbraw/zinc/42/06/76/458420676.db2.gz TYECDRFIRLXOGK-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000430224600 458423865 /nfs/dbraw/zinc/42/38/65/458423865.db2.gz ZZLUJRJUQKFJGH-GOSISDBHSA-N 1 2 328.368 3.177 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000430224600 458423870 /nfs/dbraw/zinc/42/38/70/458423870.db2.gz ZZLUJRJUQKFJGH-GOSISDBHSA-N 1 2 328.368 3.177 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000377869243 458558195 /nfs/dbraw/zinc/55/81/95/458558195.db2.gz OJZHXZCJTYIKIL-LLVKDONJSA-N 1 2 349.778 3.314 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000471188099 458685736 /nfs/dbraw/zinc/68/57/36/458685736.db2.gz UJVYZGKXILGCCH-OAHLLOKOSA-N 1 2 325.368 3.289 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000471188099 458685742 /nfs/dbraw/zinc/68/57/42/458685742.db2.gz UJVYZGKXILGCCH-OAHLLOKOSA-N 1 2 325.368 3.289 20 5 EGBDLO C[C@@H](CC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457186309 458892816 /nfs/dbraw/zinc/89/28/16/458892816.db2.gz CUXCLOVCHGPZIU-LBPRGKRZSA-N 1 2 330.388 3.335 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nnc(C2CC2)s1 ZINC000595045254 459226969 /nfs/dbraw/zinc/22/69/69/459226969.db2.gz SHDHMBMROZIHFD-SECBINFHSA-N 1 2 334.401 3.183 20 5 EGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595329634 459277568 /nfs/dbraw/zinc/27/75/68/459277568.db2.gz HONBRNVSOUVESZ-AWEZNQCLSA-N 1 2 344.390 3.008 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000595399224 459291394 /nfs/dbraw/zinc/29/13/94/459291394.db2.gz XHBOSBODIMPZIB-IBGZPJMESA-N 1 2 342.370 3.408 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000595399224 459291397 /nfs/dbraw/zinc/29/13/97/459291397.db2.gz XHBOSBODIMPZIB-IBGZPJMESA-N 1 2 342.370 3.408 20 5 EGBDLO COC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000595418238 459294173 /nfs/dbraw/zinc/29/41/73/459294173.db2.gz FEGIKWAEUXNNQH-OAHLLOKOSA-N 1 2 340.301 3.489 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000595462422 459311038 /nfs/dbraw/zinc/31/10/38/459311038.db2.gz VBSXHXOYSPYEKH-CQSZACIVSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000595462422 459311042 /nfs/dbraw/zinc/31/10/42/459311042.db2.gz VBSXHXOYSPYEKH-CQSZACIVSA-N 1 2 349.337 3.311 20 5 EGBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482570590 459315913 /nfs/dbraw/zinc/31/59/13/459315913.db2.gz YXVKTTTWMBRTIE-LLVKDONJSA-N 1 2 334.397 3.317 20 5 EGBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000482570590 459315921 /nfs/dbraw/zinc/31/59/21/459315921.db2.gz YXVKTTTWMBRTIE-LLVKDONJSA-N 1 2 334.397 3.317 20 5 EGBDLO COC(=O)c1cc([C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)oc1C ZINC000569067422 459387758 /nfs/dbraw/zinc/38/77/58/459387758.db2.gz LPKSTWRVDVUOSJ-LLVKDONJSA-N 1 2 344.367 3.402 20 5 EGBDLO COC(=O)c1cc([C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)oc1C ZINC000569067422 459387763 /nfs/dbraw/zinc/38/77/63/459387763.db2.gz LPKSTWRVDVUOSJ-LLVKDONJSA-N 1 2 344.367 3.402 20 5 EGBDLO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+](C2CCC2)CC1 ZINC000596126104 459529924 /nfs/dbraw/zinc/52/99/24/459529924.db2.gz GOCZJDKAAYUEEC-UHFFFAOYSA-N 1 2 340.221 3.032 20 5 EGBDLO COc1cc(NCc2ccc[nH+]c2N2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000596355490 459606266 /nfs/dbraw/zinc/60/62/66/459606266.db2.gz BNJYTNADYBEUSK-UHFFFAOYSA-N 1 2 346.362 3.350 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCc1ccco1 ZINC000596539200 459669581 /nfs/dbraw/zinc/66/95/81/459669581.db2.gz BZPCWLSNSUFHIM-UHFFFAOYSA-N 1 2 345.399 3.065 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593060130 459760395 /nfs/dbraw/zinc/76/03/95/459760395.db2.gz YMDLCZOCXNCPKQ-QWHCGFSZSA-N 1 2 326.368 3.132 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593060130 459760400 /nfs/dbraw/zinc/76/04/00/459760400.db2.gz YMDLCZOCXNCPKQ-QWHCGFSZSA-N 1 2 326.368 3.132 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073484 459765269 /nfs/dbraw/zinc/76/52/69/459765269.db2.gz UQXRTVBXAGGLAE-LLVKDONJSA-N 1 2 339.342 3.043 20 5 EGBDLO CC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CO1 ZINC000593490711 459905441 /nfs/dbraw/zinc/90/54/41/459905441.db2.gz DYDXYMDHWRXUPP-CJNGLKHVSA-N 1 2 342.399 3.364 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1OC ZINC000609143971 459912600 /nfs/dbraw/zinc/91/26/00/459912600.db2.gz JZQAAKIJTCQVAO-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1OC ZINC000609143971 459912614 /nfs/dbraw/zinc/91/26/14/459912614.db2.gz JZQAAKIJTCQVAO-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1C ZINC000602515961 459978955 /nfs/dbraw/zinc/97/89/55/459978955.db2.gz UMTZWXPPUCTNMY-OLZOCXBDSA-N 1 2 332.404 3.089 20 5 EGBDLO CC(C)c1nnc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000602673186 460058528 /nfs/dbraw/zinc/05/85/28/460058528.db2.gz JCZYDIFTHFNJCF-UHFFFAOYSA-N 1 2 343.309 3.145 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)(F)CC1 ZINC000602992793 460213908 /nfs/dbraw/zinc/21/39/08/460213908.db2.gz GFGXJINPIRDKMW-SNVBAGLBSA-N 1 2 343.786 3.399 20 5 EGBDLO Cc1cc(N[C@H]2CCC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610786041 460237199 /nfs/dbraw/zinc/23/71/99/460237199.db2.gz QJBQGGPHWWASCU-LBPRGKRZSA-N 1 2 334.326 3.382 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000599511640 460264656 /nfs/dbraw/zinc/26/46/56/460264656.db2.gz BOQGBJTXQAJAHA-VXGBXAGGSA-N 1 2 341.358 3.065 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cn1 ZINC000610999257 460275738 /nfs/dbraw/zinc/27/57/38/460275738.db2.gz VCHUTNWJSOGCNS-UHFFFAOYSA-N 1 2 345.399 3.418 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cn1 ZINC000610999257 460275740 /nfs/dbraw/zinc/27/57/40/460275740.db2.gz VCHUTNWJSOGCNS-UHFFFAOYSA-N 1 2 345.399 3.418 20 5 EGBDLO CN(Cc1ccsc1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619150277 460281082 /nfs/dbraw/zinc/28/10/82/460281082.db2.gz JZAKTISCTHPFLC-UHFFFAOYSA-N 1 2 347.440 3.125 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC(F)(F)C1 ZINC000619154443 460282072 /nfs/dbraw/zinc/28/20/72/460282072.db2.gz AKTUIJNACZYLAW-CYBMUJFWSA-N 1 2 341.358 3.027 20 5 EGBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000611411054 460358006 /nfs/dbraw/zinc/35/80/06/460358006.db2.gz PGNZMQCROOAMIX-DAXSKMNVSA-N 1 2 329.425 3.492 20 5 EGBDLO COc1ccc(C)cc1C[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411300 460359313 /nfs/dbraw/zinc/35/93/13/460359313.db2.gz APYPWSGYKFEPNV-UHFFFAOYSA-N 1 2 347.440 3.296 20 5 EGBDLO CCOC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600201786 460436029 /nfs/dbraw/zinc/43/60/29/460436029.db2.gz XBPRNKCBFBWEQD-QGZVFWFLSA-N 1 2 346.383 3.092 20 5 EGBDLO CCOC[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600201786 460436035 /nfs/dbraw/zinc/43/60/35/460436035.db2.gz XBPRNKCBFBWEQD-QGZVFWFLSA-N 1 2 346.383 3.092 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])cc1F ZINC000361633586 536759059 /nfs/dbraw/zinc/75/90/59/536759059.db2.gz YYJSXHMPGVUGKB-ZDUSSCGKSA-N 1 2 335.335 3.376 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c([N+](=O)[O-])cc1F ZINC000361633586 536759065 /nfs/dbraw/zinc/75/90/65/536759065.db2.gz YYJSXHMPGVUGKB-ZDUSSCGKSA-N 1 2 335.335 3.376 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)n1 ZINC000121507630 546725603 /nfs/dbraw/zinc/72/56/03/546725603.db2.gz YRRPJBIEBLFIJZ-UHFFFAOYSA-N 1 2 337.339 3.045 20 5 EGBDLO O=C(OCCc1ccsc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000726339656 574549158 /nfs/dbraw/zinc/54/91/58/574549158.db2.gz IMNJDDLZXSBRGX-UHFFFAOYSA-N 1 2 343.364 3.242 20 5 EGBDLO O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2[nH+]ccn2c1 ZINC000734780594 575551465 /nfs/dbraw/zinc/55/14/65/575551465.db2.gz WYCBSVUWEZZAQN-UHFFFAOYSA-N 1 2 331.715 3.253 20 5 EGBDLO CNc1[nH+]c(C)ccc1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734891878 575572149 /nfs/dbraw/zinc/57/21/49/575572149.db2.gz SDTUHSDIGOFBTH-UHFFFAOYSA-N 1 2 335.747 3.350 20 5 EGBDLO CSCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835815441 1293383660 /nfs/dbraw/zinc/38/36/60/1293383660.db2.gz VWYYUPYNLJUWOD-LLVKDONJSA-N 1 2 335.385 3.079 20 5 EGBDLO CC(C)C[C@@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000748787073 1299078593 /nfs/dbraw/zinc/07/85/93/1299078593.db2.gz FYFPWRHLCWQQQR-JTQLQIEISA-N 1 2 331.214 3.022 20 5 EGBDLO CC(C)C[C@@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000748787073 1299078598 /nfs/dbraw/zinc/07/85/98/1299078598.db2.gz FYFPWRHLCWQQQR-JTQLQIEISA-N 1 2 331.214 3.022 20 5 EGBDLO CCn1ccc(C[N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000878499099 1300038387 /nfs/dbraw/zinc/03/83/87/1300038387.db2.gz QKFSUXIYVFTOAD-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO CCn1ccc(C[N@@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000878499099 1300038398 /nfs/dbraw/zinc/03/83/98/1300038398.db2.gz QKFSUXIYVFTOAD-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000879053544 1300340517 /nfs/dbraw/zinc/34/05/17/1300340517.db2.gz WKIIEEWUINUMNU-SNVBAGLBSA-N 1 2 338.314 3.264 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000879053544 1300340530 /nfs/dbraw/zinc/34/05/30/1300340530.db2.gz WKIIEEWUINUMNU-SNVBAGLBSA-N 1 2 338.314 3.264 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000761688474 1301523572 /nfs/dbraw/zinc/52/35/72/1301523572.db2.gz LVHNXRMXBGDRMO-LBPRGKRZSA-N 1 2 343.383 3.035 20 5 EGBDLO CN(C)c1cc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cc[nH+]1 ZINC000762476862 1301687007 /nfs/dbraw/zinc/68/70/07/1301687007.db2.gz HFEMBWRKOPFHRU-UHFFFAOYSA-N 1 2 331.763 3.107 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1CSCc1cc[nH+]c(N(C)C)c1 ZINC000767874199 1302775702 /nfs/dbraw/zinc/77/57/02/1302775702.db2.gz FJQBECLUADZYOH-UHFFFAOYSA-N 1 2 333.413 3.498 20 5 EGBDLO O=C(OCc1cccc2[nH+]ccn21)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000770924456 1303333199 /nfs/dbraw/zinc/33/31/99/1303333199.db2.gz HNZIBTPHXQNWGD-UHFFFAOYSA-N 1 2 331.715 3.253 20 5 EGBDLO COc1ccc[nH+]c1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000777290982 1304279147 /nfs/dbraw/zinc/27/91/47/1304279147.db2.gz MZNVZDQDTXXAPA-UHFFFAOYSA-N 1 2 328.372 3.079 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000795643856 1309798028 /nfs/dbraw/zinc/79/80/28/1309798028.db2.gz ASJOJHNQTQZDJR-OAHLLOKOSA-N 1 2 349.431 3.284 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000795643856 1309798037 /nfs/dbraw/zinc/79/80/37/1309798037.db2.gz ASJOJHNQTQZDJR-OAHLLOKOSA-N 1 2 349.431 3.284 20 5 EGBDLO CC[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCCO1 ZINC000799161918 1310495647 /nfs/dbraw/zinc/49/56/47/1310495647.db2.gz GWMIXEDINQXXSO-LBPRGKRZSA-N 1 2 337.401 3.330 20 5 EGBDLO CC[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCCO1 ZINC000799161918 1310495650 /nfs/dbraw/zinc/49/56/50/1310495650.db2.gz GWMIXEDINQXXSO-LBPRGKRZSA-N 1 2 337.401 3.330 20 5 EGBDLO O=[N+]([O-])c1cccc([C@@H](NCCCn2cc[nH+]c2)C(F)(F)F)c1F ZINC000839652178 1320951806 /nfs/dbraw/zinc/95/18/06/1320951806.db2.gz KGWZUCXREJEJAC-CYBMUJFWSA-N 1 2 346.284 3.214 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000905853124 1318006692 /nfs/dbraw/zinc/00/66/92/1318006692.db2.gz PWTWCHYNUKVETJ-FZKQIMNGSA-N 1 2 339.395 3.265 20 5 EGBDLO Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc[nH+]1 ZINC000813121680 1318502395 /nfs/dbraw/zinc/50/23/95/1318502395.db2.gz UDLQMSCIFJNCIM-UHFFFAOYSA-N 1 2 326.139 3.279 20 5 EGBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]1 ZINC000813330956 1318534860 /nfs/dbraw/zinc/53/48/60/1318534860.db2.gz KFDMUPBQORAKNM-JTQLQIEISA-N 1 2 327.344 3.132 20 5 EGBDLO O=C(OCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815511678 1319008911 /nfs/dbraw/zinc/00/89/11/1319008911.db2.gz SGALWNBFOOGAOF-UHFFFAOYSA-N 1 2 343.261 3.057 20 5 EGBDLO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281731 1319312775 /nfs/dbraw/zinc/31/27/75/1319312775.db2.gz OJDOPBXYVREKCN-ZJUUUORDSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281731 1319312783 /nfs/dbraw/zinc/31/27/83/1319312783.db2.gz OJDOPBXYVREKCN-ZJUUUORDSA-N 1 2 333.215 3.352 20 5 EGBDLO O=[N+]([O-])c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000817376552 1319344514 /nfs/dbraw/zinc/34/45/14/1319344514.db2.gz JCPRYOAVPWPFNT-UHFFFAOYSA-N 1 2 346.358 3.145 20 5 EGBDLO Cc1cc(C)c(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c[nH+]1 ZINC000836356196 1320477377 /nfs/dbraw/zinc/47/73/77/1320477377.db2.gz FWHXKVHXYFKCRJ-UHFFFAOYSA-N 1 2 348.790 3.259 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)cs1 ZINC000922983582 1322669228 /nfs/dbraw/zinc/66/92/28/1322669228.db2.gz AVAHIIKDVNSUOH-GFCCVEGCSA-N 1 2 346.330 3.498 20 5 EGBDLO CC(C)(C)C1=CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853504401 1325106775 /nfs/dbraw/zinc/10/67/75/1325106775.db2.gz LPCGRVZIYIUNKV-UHFFFAOYSA-N 1 2 341.415 3.489 20 5 EGBDLO CC(C)(C)C1=CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853504401 1325106780 /nfs/dbraw/zinc/10/67/80/1325106780.db2.gz LPCGRVZIYIUNKV-UHFFFAOYSA-N 1 2 341.415 3.489 20 5 EGBDLO C[N@H+](Cc1cccc(=O)[nH]1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000933401809 1329886786 /nfs/dbraw/zinc/88/67/86/1329886786.db2.gz OHDPSAWWJHTNNR-UHFFFAOYSA-N 1 2 341.289 3.346 20 5 EGBDLO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000933401809 1329886788 /nfs/dbraw/zinc/88/67/88/1329886788.db2.gz OHDPSAWWJHTNNR-UHFFFAOYSA-N 1 2 341.289 3.346 20 5 EGBDLO CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039981507 1345279087 /nfs/dbraw/zinc/27/90/87/1345279087.db2.gz KXRGFMDQZHYWDF-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039981507 1345279089 /nfs/dbraw/zinc/27/90/89/1345279089.db2.gz KXRGFMDQZHYWDF-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO C[N@H+](CCC(F)(F)F)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001323530363 1387382924 /nfs/dbraw/zinc/38/29/24/1387382924.db2.gz PDAZHZGFLPOHRY-UHFFFAOYSA-N 1 2 328.294 3.300 20 5 EGBDLO C[N@@H+](CCC(F)(F)F)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001323530363 1387382925 /nfs/dbraw/zinc/38/29/25/1387382925.db2.gz PDAZHZGFLPOHRY-UHFFFAOYSA-N 1 2 328.294 3.300 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)C1(C)C ZINC001324243407 1387566247 /nfs/dbraw/zinc/56/62/47/1387566247.db2.gz DJEXOZFIIRHATP-NSHDSACASA-N 1 2 335.404 3.051 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)C1(C)C ZINC001324243407 1387566249 /nfs/dbraw/zinc/56/62/49/1387566249.db2.gz DJEXOZFIIRHATP-NSHDSACASA-N 1 2 335.404 3.051 20 5 EGBDLO Cc1nc(Nc2ccccc2[N+](=O)[O-])cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001206144416 1370971349 /nfs/dbraw/zinc/97/13/49/1370971349.db2.gz KQRODXFRQDYCKS-TXEJJXNPSA-N 1 2 343.387 3.050 20 5 EGBDLO O=[N+]([O-])c1ccccc1[C@@H](OCC[NH+]1CCOCC1)c1ccccc1 ZINC001210225609 1372297827 /nfs/dbraw/zinc/29/78/27/1372297827.db2.gz VRBDWPHPDSWJNW-IBGZPJMESA-N 1 2 342.395 3.033 20 5 EGBDLO Cc1ccc(Nc2ccc(N3CCC(O)CC3)[nH+]c2)cc1[N+](=O)[O-] ZINC001213661423 1372941274 /nfs/dbraw/zinc/94/12/74/1372941274.db2.gz GJZHHEXPDBJIDV-UHFFFAOYSA-N 1 2 328.372 3.003 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218010106 1373535691 /nfs/dbraw/zinc/53/56/91/1373535691.db2.gz LXAVPJGGUJWIOR-SECBINFHSA-N 1 2 327.114 3.278 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228916640 1375714348 /nfs/dbraw/zinc/71/43/48/1375714348.db2.gz WFBWDILLHHYHKB-GOSISDBHSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228916640 1375714352 /nfs/dbraw/zinc/71/43/52/1375714352.db2.gz WFBWDILLHHYHKB-GOSISDBHSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1ccc(N2CCC[C@@H](Oc3cc([N+](=O)[O-])ccc3O)C2)[nH+]c1 ZINC001229396383 1375826623 /nfs/dbraw/zinc/82/66/23/1375826623.db2.gz SNZBLDZVTFAWSC-CQSZACIVSA-N 1 2 329.356 3.052 20 5 EGBDLO O=[N+]([O-])c1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC001174478643 1385112835 /nfs/dbraw/zinc/11/28/35/1385112835.db2.gz SFYZYNBJKUHRCA-UHFFFAOYSA-N 1 2 343.383 3.049 20 5 EGBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001339258654 1389961484 /nfs/dbraw/zinc/96/14/84/1389961484.db2.gz MVRWRXXTDGDODU-UHFFFAOYSA-N 1 2 348.790 3.002 20 5 EGBDLO COc1ccc(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1F ZINC000024584516 202117956 /nfs/dbraw/zinc/11/79/56/202117956.db2.gz RGAIDFSBARICDJ-UHFFFAOYSA-N 1 2 344.346 3.182 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1F ZINC000024584516 202117960 /nfs/dbraw/zinc/11/79/60/202117960.db2.gz RGAIDFSBARICDJ-UHFFFAOYSA-N 1 2 344.346 3.182 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC2(CC2)C1 ZINC000186979061 236085526 /nfs/dbraw/zinc/08/55/26/236085526.db2.gz UKRJFGVJMNAOLY-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC2(CC2)C1 ZINC000186979061 236085529 /nfs/dbraw/zinc/08/55/29/236085529.db2.gz UKRJFGVJMNAOLY-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(F)(F)F)CC1 ZINC000072801857 203245364 /nfs/dbraw/zinc/24/53/64/203245364.db2.gz OMALBJYZUVQRJM-JTQLQIEISA-N 1 2 345.321 3.196 20 5 EGBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000072861981 203249918 /nfs/dbraw/zinc/24/99/18/203249918.db2.gz LCJGAJFEBMJIQV-STQMWFEESA-N 1 2 337.445 3.058 20 5 EGBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000072861981 203249921 /nfs/dbraw/zinc/24/99/21/203249921.db2.gz LCJGAJFEBMJIQV-STQMWFEESA-N 1 2 337.445 3.058 20 5 EGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134148268 205395381 /nfs/dbraw/zinc/39/53/81/205395381.db2.gz MNEYBNPTZGQUQT-ACJLOTCBSA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(CC2)CC1 ZINC000378325120 169101463 /nfs/dbraw/zinc/10/14/63/169101463.db2.gz BVZFAQMRZARAAF-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000175264403 207110394 /nfs/dbraw/zinc/11/03/94/207110394.db2.gz SHCKDOFVTLDKQW-GHMZBOCLSA-N 1 2 334.401 3.038 20 5 EGBDLO CCC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000176741726 207256188 /nfs/dbraw/zinc/25/61/88/207256188.db2.gz GPTVVEJIAIJGCM-CQSZACIVSA-N 1 2 342.399 3.433 20 5 EGBDLO C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1n1cc[nH+]c1 ZINC000268270017 141058471 /nfs/dbraw/zinc/05/84/71/141058471.db2.gz OQYURGFSMFKXOI-CXAGYDPISA-N 1 2 337.383 3.427 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000353446806 141297858 /nfs/dbraw/zinc/29/78/58/141297858.db2.gz LBELXUCCUWPEMT-KRWDZBQOSA-N 1 2 340.358 3.347 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC1CC1)CC1CC1 ZINC000359648262 141397929 /nfs/dbraw/zinc/39/79/29/141397929.db2.gz SSYIGRCRTCNJAE-UHFFFAOYSA-N 1 2 340.383 3.043 20 5 EGBDLO CC(C)c1nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173474264 144042682 /nfs/dbraw/zinc/04/26/82/144042682.db2.gz MAQQJKMQXGWBTJ-LBPRGKRZSA-N 1 2 347.444 3.256 20 5 EGBDLO CC(C)c1nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173474264 144042684 /nfs/dbraw/zinc/04/26/84/144042684.db2.gz MAQQJKMQXGWBTJ-LBPRGKRZSA-N 1 2 347.444 3.256 20 5 EGBDLO CC(C)n1ccnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798178 144048750 /nfs/dbraw/zinc/04/87/50/144048750.db2.gz FCKGHHLTRSXEPU-UHFFFAOYSA-N 1 2 344.415 3.416 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1F ZINC000184236438 144089322 /nfs/dbraw/zinc/08/93/22/144089322.db2.gz VIYVZNHRJQHYBG-UHFFFAOYSA-N 1 2 348.330 3.103 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1F ZINC000184236438 144089323 /nfs/dbraw/zinc/08/93/23/144089323.db2.gz VIYVZNHRJQHYBG-UHFFFAOYSA-N 1 2 348.330 3.103 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000361729079 144355990 /nfs/dbraw/zinc/35/59/90/144355990.db2.gz RICHMBREAROIBF-UHFFFAOYSA-N 1 2 342.395 3.479 20 5 EGBDLO COc1cc(C[N@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000361729079 144355992 /nfs/dbraw/zinc/35/59/92/144355992.db2.gz RICHMBREAROIBF-UHFFFAOYSA-N 1 2 342.395 3.479 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000116269099 152053409 /nfs/dbraw/zinc/05/34/09/152053409.db2.gz TYTRIHGFBNXLKW-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO COCc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000341537852 155342725 /nfs/dbraw/zinc/34/27/25/155342725.db2.gz DFDCMIUXMYXGNS-UHFFFAOYSA-N 1 2 327.793 3.141 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000341001644 155122095 /nfs/dbraw/zinc/12/20/95/155122095.db2.gz SXHJZTNNCRRLRM-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000341001644 155122099 /nfs/dbraw/zinc/12/20/99/155122099.db2.gz SXHJZTNNCRRLRM-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)c2cccnc21 ZINC000348877445 156272547 /nfs/dbraw/zinc/27/25/47/156272547.db2.gz GRWVMKVFKVFHLB-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)[nH+]1 ZINC000349086833 156350925 /nfs/dbraw/zinc/35/09/25/156350925.db2.gz FIRCZOMYXFJDJE-UHFFFAOYSA-N 1 2 329.356 3.241 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000152014693 286570490 /nfs/dbraw/zinc/57/04/90/286570490.db2.gz QOEKNKTUXMJEDJ-OAHLLOKOSA-N 1 2 330.388 3.444 20 5 EGBDLO CC[C@]1(C)C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000248996057 163050932 /nfs/dbraw/zinc/05/09/32/163050932.db2.gz XZYRDAIPISAGAU-SJKOYZFVSA-N 1 2 346.387 3.207 20 5 EGBDLO CC[C@]1(C)C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000248996057 163050934 /nfs/dbraw/zinc/05/09/34/163050934.db2.gz XZYRDAIPISAGAU-SJKOYZFVSA-N 1 2 346.387 3.207 20 5 EGBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC000338636345 163299627 /nfs/dbraw/zinc/29/96/27/163299627.db2.gz HOBHBLUFUJFBPL-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc2c(c1)OCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC000338636345 163299639 /nfs/dbraw/zinc/29/96/39/163299639.db2.gz HOBHBLUFUJFBPL-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO CCc1ccc([C@@H]([NH2+]C[C@@H](O)C(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346569264 164399167 /nfs/dbraw/zinc/39/91/67/164399167.db2.gz XMWSTGUFQRLGDY-HIFRSBDPSA-N 1 2 340.326 3.055 20 5 EGBDLO CC1(C)CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000352131103 165250192 /nfs/dbraw/zinc/25/01/92/165250192.db2.gz NQPSWTRZUVXOIJ-CYBMUJFWSA-N 1 2 328.372 3.089 20 5 EGBDLO Cc1c(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000360527101 167349550 /nfs/dbraw/zinc/34/95/50/167349550.db2.gz WOANTSNOMXOENB-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046599212 275137890 /nfs/dbraw/zinc/13/78/90/275137890.db2.gz FDWNWDYEFJVBGJ-OAHLLOKOSA-N 1 2 341.411 3.468 20 5 EGBDLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046599212 275137891 /nfs/dbraw/zinc/13/78/91/275137891.db2.gz FDWNWDYEFJVBGJ-OAHLLOKOSA-N 1 2 341.411 3.468 20 5 EGBDLO CCc1nnc([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000279086816 275302721 /nfs/dbraw/zinc/30/27/21/275302721.db2.gz NDAQMFZUSUZRBC-QMTHXVAHSA-N 1 2 329.404 3.349 20 5 EGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000284155128 275778352 /nfs/dbraw/zinc/77/83/52/275778352.db2.gz PSEAMUMLKYMDPZ-CQSZACIVSA-N 1 2 349.343 3.136 20 5 EGBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000288317766 276201117 /nfs/dbraw/zinc/20/11/17/276201117.db2.gz IVYGDXYEQLEWHH-JTQLQIEISA-N 1 2 330.373 3.054 20 5 EGBDLO CC[C@](C)(OC)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000290190345 276460977 /nfs/dbraw/zinc/46/09/77/276460977.db2.gz UPEDXGSZJCRAJG-INIZCTEOSA-N 1 2 343.343 3.102 20 5 EGBDLO Cn1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C(C)(C)C)n1 ZINC000356526687 279336812 /nfs/dbraw/zinc/33/68/12/279336812.db2.gz OSTMIXDRERXTJM-UHFFFAOYSA-N 1 2 344.415 3.020 20 5 EGBDLO Cn1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C(C)(C)C)n1 ZINC000356526687 279336816 /nfs/dbraw/zinc/33/68/16/279336816.db2.gz OSTMIXDRERXTJM-UHFFFAOYSA-N 1 2 344.415 3.020 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361603379 281071964 /nfs/dbraw/zinc/07/19/64/281071964.db2.gz MOOIHPRJTJCHNH-ZDUSSCGKSA-N 1 2 325.368 3.246 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361603379 281071969 /nfs/dbraw/zinc/07/19/69/281071969.db2.gz MOOIHPRJTJCHNH-ZDUSSCGKSA-N 1 2 325.368 3.246 20 5 EGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000414148257 309063432 /nfs/dbraw/zinc/06/34/32/309063432.db2.gz SNGOSJPVVHUGJN-VHSXEESVSA-N 1 2 335.385 3.250 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C1CCC1)C1CCC1 ZINC000293927479 308174745 /nfs/dbraw/zinc/17/47/45/308174745.db2.gz QAPBWLJMZJGZCC-UHFFFAOYSA-N 1 2 340.383 3.328 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CF)CC1 ZINC000295109593 308292434 /nfs/dbraw/zinc/29/24/34/308292434.db2.gz IIOIHKYDRADFLS-SNVBAGLBSA-N 1 2 343.786 3.257 20 5 EGBDLO CS[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296088927 308392595 /nfs/dbraw/zinc/39/25/95/308392595.db2.gz CXWABHIRHSFKQK-GXSJLCMTSA-N 1 2 343.836 3.013 20 5 EGBDLO CS[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000296088927 308392596 /nfs/dbraw/zinc/39/25/96/308392596.db2.gz CXWABHIRHSFKQK-GXSJLCMTSA-N 1 2 343.836 3.013 20 5 EGBDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413204959 309021387 /nfs/dbraw/zinc/02/13/87/309021387.db2.gz OYLJFUOLNCTUST-UHFFFAOYSA-N 1 2 326.278 3.367 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413269028 309024391 /nfs/dbraw/zinc/02/43/91/309024391.db2.gz RMDOUZMWRSZWQA-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413446392 309032490 /nfs/dbraw/zinc/03/24/90/309032490.db2.gz CLKDYHFWNGGHGH-UHFFFAOYSA-N 1 2 329.356 3.014 20 5 EGBDLO COC1(C(F)(F)F)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000419325911 309264437 /nfs/dbraw/zinc/26/44/37/309264437.db2.gz KZLDPNAIEPDXED-UHFFFAOYSA-N 1 2 336.285 3.277 20 5 EGBDLO Cc1cc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000421555925 309329572 /nfs/dbraw/zinc/32/95/72/309329572.db2.gz IWUDMONDIBTNLE-CYBMUJFWSA-N 1 2 345.424 3.404 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000421571666 309330157 /nfs/dbraw/zinc/33/01/57/309330157.db2.gz YEDJPAACGRBDTC-OAHLLOKOSA-N 1 2 342.399 3.168 20 5 EGBDLO Cc1cc(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc(C)[nH+]1 ZINC000421579764 309330569 /nfs/dbraw/zinc/33/05/69/309330569.db2.gz VBSIXXVHKOGTRP-GFCCVEGCSA-N 1 2 331.347 3.166 20 5 EGBDLO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC000449925138 310094432 /nfs/dbraw/zinc/09/44/32/310094432.db2.gz ALHIFFCOUZZBDE-OLZOCXBDSA-N 1 2 328.372 3.041 20 5 EGBDLO CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450012232 310098854 /nfs/dbraw/zinc/09/88/54/310098854.db2.gz ZBAMKYKSOQHHKK-GXTWGEPZSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450571630 310130715 /nfs/dbraw/zinc/13/07/15/310130715.db2.gz RESKKCURGUAPPB-AWEZNQCLSA-N 1 2 342.399 3.289 20 5 EGBDLO CO[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000450777643 310142184 /nfs/dbraw/zinc/14/21/84/310142184.db2.gz STIZIYNEQSGVEB-BLLLJJGKSA-N 1 2 342.399 3.221 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1(C)C ZINC000455322415 310355827 /nfs/dbraw/zinc/35/58/27/310355827.db2.gz CANYOJICKYVIJN-CYBMUJFWSA-N 1 2 347.350 3.082 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455357555 310357270 /nfs/dbraw/zinc/35/72/70/310357270.db2.gz KYFHHICSZZACJA-NSHDSACASA-N 1 2 347.375 3.093 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455465328 310361995 /nfs/dbraw/zinc/36/19/95/310361995.db2.gz OXKSMVXCERJRHR-NSHDSACASA-N 1 2 331.376 3.256 20 5 EGBDLO Cc1cc(C)c(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000456838064 310424911 /nfs/dbraw/zinc/42/49/11/310424911.db2.gz CDGNWTNJBCRGSB-UHFFFAOYSA-N 1 2 331.397 3.015 20 5 EGBDLO C[C@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000459126258 310534435 /nfs/dbraw/zinc/53/44/35/310534435.db2.gz WPPBJPLWFFJMCY-AAEUAGOBSA-N 1 2 343.387 3.032 20 5 EGBDLO CCC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000477295226 310842545 /nfs/dbraw/zinc/84/25/45/310842545.db2.gz DYUVKROOGUYWCI-ZDUSSCGKSA-N 1 2 328.796 3.112 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(O)c3Cl)CC2)c1 ZINC000507597600 312078788 /nfs/dbraw/zinc/07/87/88/312078788.db2.gz SAWRMXSODSTDOE-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(F)ccc3F)CC2)c1 ZINC000531232863 313645192 /nfs/dbraw/zinc/64/51/92/313645192.db2.gz QVBXCGLCHBFRIR-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO CC[C@@H]1CO[C@@H](C)CN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535234667 314033614 /nfs/dbraw/zinc/03/36/14/314033614.db2.gz VCBRESFMRSUMKT-DZGCQCFKSA-N 1 2 342.399 3.364 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000536638675 314133558 /nfs/dbraw/zinc/13/35/58/314133558.db2.gz FXWGGDFVMQQRQK-OAHLLOKOSA-N 1 2 343.383 3.344 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000536638675 314133560 /nfs/dbraw/zinc/13/35/60/314133560.db2.gz FXWGGDFVMQQRQK-OAHLLOKOSA-N 1 2 343.383 3.344 20 5 EGBDLO C[C@@H](C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000565933797 316389567 /nfs/dbraw/zinc/38/95/67/316389567.db2.gz QHRLQBXYRNEBNW-IUODEOHRSA-N 1 2 342.399 3.042 20 5 EGBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000174010387 323300414 /nfs/dbraw/zinc/30/04/14/323300414.db2.gz ZMIASANHGHYMSZ-CYBMUJFWSA-N 1 2 338.367 3.419 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000007128663 453035940 /nfs/dbraw/zinc/03/59/40/453035940.db2.gz RSDIEWHFQTZYTG-UHFFFAOYSA-N 1 2 327.300 3.034 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000008320625 453191877 /nfs/dbraw/zinc/19/18/77/453191877.db2.gz UEARFVYKOUAYML-CQSZACIVSA-N 1 2 331.397 3.432 20 5 EGBDLO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000008320625 453191885 /nfs/dbraw/zinc/19/18/85/453191885.db2.gz UEARFVYKOUAYML-CQSZACIVSA-N 1 2 331.397 3.432 20 5 EGBDLO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016564108 453612321 /nfs/dbraw/zinc/61/23/21/453612321.db2.gz KKATWTVAWDYZOD-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016564108 453612322 /nfs/dbraw/zinc/61/23/22/453612322.db2.gz KKATWTVAWDYZOD-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1F ZINC000021919867 453684406 /nfs/dbraw/zinc/68/44/06/453684406.db2.gz BYZFMRYUKPMNPP-LBPRGKRZSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1F ZINC000021919867 453684410 /nfs/dbraw/zinc/68/44/10/453684410.db2.gz BYZFMRYUKPMNPP-LBPRGKRZSA-N 1 2 331.347 3.193 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)c2ccncc21 ZINC000022875029 453700473 /nfs/dbraw/zinc/70/04/73/453700473.db2.gz HPABOWAOXPCICH-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066847688 453879489 /nfs/dbraw/zinc/87/94/89/453879489.db2.gz FHLYQEDWXMUEJQ-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066847688 453879492 /nfs/dbraw/zinc/87/94/92/453879492.db2.gz FHLYQEDWXMUEJQ-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO CNC(=O)c1ccc(Nc2ccc([NH+](C)C)cc2C)c([N+](=O)[O-])c1 ZINC000053571867 453887999 /nfs/dbraw/zinc/88/79/99/453887999.db2.gz XNKNZEJRQOPAAT-UHFFFAOYSA-N 1 2 328.372 3.072 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCOCC2)c(Cl)c1 ZINC000043727618 454075255 /nfs/dbraw/zinc/07/52/55/454075255.db2.gz XAFGMSFGTUIVQY-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606231 454114821 /nfs/dbraw/zinc/11/48/21/454114821.db2.gz CHOSAUZYENBYLE-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606231 454114825 /nfs/dbraw/zinc/11/48/25/454114825.db2.gz CHOSAUZYENBYLE-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606196 454115094 /nfs/dbraw/zinc/11/50/94/454115094.db2.gz BMGWALCIIVXBDS-CQSZACIVSA-N 1 2 339.395 3.004 20 5 EGBDLO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606196 454115097 /nfs/dbraw/zinc/11/50/97/454115097.db2.gz BMGWALCIIVXBDS-CQSZACIVSA-N 1 2 339.395 3.004 20 5 EGBDLO O=[N+]([O-])c1c(Oc2cccc(-n3cc[nH+]c3)c2)nc2sccn21 ZINC000077982108 454174066 /nfs/dbraw/zinc/17/40/66/454174066.db2.gz PSJNPFDCSWXSNR-UHFFFAOYSA-N 1 2 327.325 3.282 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCSCC1 ZINC000089986276 454255890 /nfs/dbraw/zinc/25/58/90/454255890.db2.gz OCFGSBWEIRIRKX-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCSCC1 ZINC000089986276 454255894 /nfs/dbraw/zinc/25/58/94/454255894.db2.gz OCFGSBWEIRIRKX-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[N@H+](CC(=O)N1CCCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000097674845 454443552 /nfs/dbraw/zinc/44/35/52/454443552.db2.gz QKKNZGJVOXCKJB-UHFFFAOYSA-N 1 2 339.395 3.006 20 5 EGBDLO C[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000097674845 454443555 /nfs/dbraw/zinc/44/35/55/454443555.db2.gz QKKNZGJVOXCKJB-UHFFFAOYSA-N 1 2 339.395 3.006 20 5 EGBDLO COc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000101516094 454470975 /nfs/dbraw/zinc/47/09/75/454470975.db2.gz WGTIPAZPIVVZBX-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134069285 454498862 /nfs/dbraw/zinc/49/88/62/454498862.db2.gz FYOVTUSCJGUMJS-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000134069285 454498870 /nfs/dbraw/zinc/49/88/70/454498870.db2.gz FYOVTUSCJGUMJS-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065425476 454565762 /nfs/dbraw/zinc/56/57/62/454565762.db2.gz PDEKHXVQNZXYEN-NEPJUHHUSA-N 1 2 346.387 3.205 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065425476 454565767 /nfs/dbraw/zinc/56/57/67/454565767.db2.gz PDEKHXVQNZXYEN-NEPJUHHUSA-N 1 2 346.387 3.205 20 5 EGBDLO Cc1csc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000092788009 454632366 /nfs/dbraw/zinc/63/23/66/454632366.db2.gz RSXVVUGKZNUTEF-GFCCVEGCSA-N 1 2 333.413 3.445 20 5 EGBDLO Cc1csc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000092788009 454632370 /nfs/dbraw/zinc/63/23/70/454632370.db2.gz RSXVVUGKZNUTEF-GFCCVEGCSA-N 1 2 333.413 3.445 20 5 EGBDLO CCc1nn(C)c(NCCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000092827127 454642931 /nfs/dbraw/zinc/64/29/31/454642931.db2.gz LAVFLWRTCTZDJQ-UHFFFAOYSA-N 1 2 342.403 3.051 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081019079 454672670 /nfs/dbraw/zinc/67/26/70/454672670.db2.gz QUYMBTUFPINNKT-OAHLLOKOSA-N 1 2 341.411 3.179 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000081019079 454672676 /nfs/dbraw/zinc/67/26/76/454672676.db2.gz QUYMBTUFPINNKT-OAHLLOKOSA-N 1 2 341.411 3.179 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000136748362 454754690 /nfs/dbraw/zinc/75/46/90/454754690.db2.gz AQHWZAXFNZWNFV-CYBMUJFWSA-N 1 2 334.763 3.339 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000162744562 454797916 /nfs/dbraw/zinc/79/79/16/454797916.db2.gz KZCQDZPABNXJBX-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000138891401 454799648 /nfs/dbraw/zinc/79/96/48/454799648.db2.gz JWZYLLRIDSEQCZ-MRXNPFEDSA-N 1 2 341.367 3.076 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000138891401 454799654 /nfs/dbraw/zinc/79/96/54/454799654.db2.gz JWZYLLRIDSEQCZ-MRXNPFEDSA-N 1 2 341.367 3.076 20 5 EGBDLO CC[C@@H](Nc1ncc([N+](=O)[O-])c(C)c1Br)c1[nH]cc[nH+]1 ZINC000139794273 454811971 /nfs/dbraw/zinc/81/19/71/454811971.db2.gz RXBICNUHBDKRAV-MRVPVSSYSA-N 1 2 340.181 3.347 20 5 EGBDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000140296460 454818949 /nfs/dbraw/zinc/81/89/49/454818949.db2.gz UZUOGBDXMCYVQR-INIZCTEOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000140296460 454818952 /nfs/dbraw/zinc/81/89/52/454818952.db2.gz UZUOGBDXMCYVQR-INIZCTEOSA-N 1 2 340.383 3.074 20 5 EGBDLO C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000154038290 454859727 /nfs/dbraw/zinc/85/97/27/454859727.db2.gz BYDBLQFVBSCIGV-UHFFFAOYSA-N 1 2 349.456 3.017 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000178506260 454957665 /nfs/dbraw/zinc/95/76/65/454957665.db2.gz SAMWOXJNGKAYBF-MRXNPFEDSA-N 1 2 344.415 3.236 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000178506260 454957668 /nfs/dbraw/zinc/95/76/68/454957668.db2.gz SAMWOXJNGKAYBF-MRXNPFEDSA-N 1 2 344.415 3.236 20 5 EGBDLO Cc1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000180522748 455189016 /nfs/dbraw/zinc/18/90/16/455189016.db2.gz NXRGVYHKCNUDGO-UHFFFAOYSA-N 1 2 333.413 3.403 20 5 EGBDLO Cc1cc(NCCCc2[nH+]c3ccccc3n2C)ncc1[N+](=O)[O-] ZINC000267298583 455534487 /nfs/dbraw/zinc/53/44/87/455534487.db2.gz ZXZZWBHWSOTPEX-UHFFFAOYSA-N 1 2 325.372 3.230 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccncc1 ZINC000267899543 455562560 /nfs/dbraw/zinc/56/25/60/455562560.db2.gz KWOCKSAXMYYRKL-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccncc1 ZINC000267899543 455562563 /nfs/dbraw/zinc/56/25/63/455562563.db2.gz KWOCKSAXMYYRKL-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO COc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000268180734 455611440 /nfs/dbraw/zinc/61/14/40/455611440.db2.gz ISWLMYTVHNBPRP-UHFFFAOYSA-N 1 2 336.417 3.042 20 5 EGBDLO Cc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000268521796 455706795 /nfs/dbraw/zinc/70/67/95/455706795.db2.gz VBVBNPZUIOEHBC-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO CN(C)c1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000194050465 455796161 /nfs/dbraw/zinc/79/61/61/455796161.db2.gz NNNORFVVECNNBR-UHFFFAOYSA-N 1 2 344.371 3.201 20 5 EGBDLO CN(C)c1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000194050465 455796166 /nfs/dbraw/zinc/79/61/66/455796166.db2.gz NNNORFVVECNNBR-UHFFFAOYSA-N 1 2 344.371 3.201 20 5 EGBDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000270074517 455871876 /nfs/dbraw/zinc/87/18/76/455871876.db2.gz SSDRTXIORNXZDO-CQSZACIVSA-N 1 2 337.383 3.317 20 5 EGBDLO Cc1cc(C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)[nH]n1 ZINC000285598540 455878513 /nfs/dbraw/zinc/87/85/13/455878513.db2.gz LHTJWJVNDYCKSL-UHFFFAOYSA-N 1 2 336.342 3.284 20 5 EGBDLO Cc1cc(C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n[nH]1 ZINC000285598540 455878515 /nfs/dbraw/zinc/87/85/15/455878515.db2.gz LHTJWJVNDYCKSL-UHFFFAOYSA-N 1 2 336.342 3.284 20 5 EGBDLO Cc1cc(N2CCCC[C@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270270773 455917390 /nfs/dbraw/zinc/91/73/90/455917390.db2.gz WILINEMCYWYJHB-HNNXBMFYSA-N 1 2 342.399 3.102 20 5 EGBDLO Cc1cc(N2CCC[C@@](C)(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280565063 456000855 /nfs/dbraw/zinc/00/08/55/456000855.db2.gz VAKBQSQSYNZVFW-GOSISDBHSA-N 1 2 342.399 3.102 20 5 EGBDLO Cc1nc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000301631811 456169082 /nfs/dbraw/zinc/16/90/82/456169082.db2.gz JMEFBYJLLSGIFU-UHFFFAOYSA-N 1 2 327.319 3.235 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000342867473 456282912 /nfs/dbraw/zinc/28/29/12/456282912.db2.gz BVJWYOHZTQFREU-NEPJUHHUSA-N 1 2 331.338 3.224 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000342867473 456282916 /nfs/dbraw/zinc/28/29/16/456282916.db2.gz BVJWYOHZTQFREU-NEPJUHHUSA-N 1 2 331.338 3.224 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000281691412 456293817 /nfs/dbraw/zinc/29/38/17/456293817.db2.gz NCKVLEDBDMHXLN-QGZVFWFLSA-N 1 2 348.786 3.008 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](C2CC2)C1 ZINC000290886522 456456718 /nfs/dbraw/zinc/45/67/18/456456718.db2.gz LBQLAAOYYLDMSA-HNNXBMFYSA-N 1 2 340.383 3.043 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ncn(-c3ccccc3)n1)CCC2 ZINC000340522480 456509341 /nfs/dbraw/zinc/50/93/41/456509341.db2.gz AEGAVEMKFZDGDO-SFHVURJKSA-N 1 2 349.394 3.343 20 5 EGBDLO CCc1ccc([C@H](NCc2c[nH+]cn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000353566546 456766102 /nfs/dbraw/zinc/76/61/02/456766102.db2.gz LYJLETYLVRIFGE-GOSISDBHSA-N 1 2 340.383 3.363 20 5 EGBDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000353645112 456825077 /nfs/dbraw/zinc/82/50/77/456825077.db2.gz RJQBZTOFLVBQKS-UMVBOHGHSA-N 1 2 342.399 3.335 20 5 EGBDLO Cc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000338972916 456883447 /nfs/dbraw/zinc/88/34/47/456883447.db2.gz XFBCDFKCVLSFCV-UHFFFAOYSA-N 1 2 341.415 3.143 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000339080970 456931177 /nfs/dbraw/zinc/93/11/77/456931177.db2.gz UFVGEOHBHCBGHU-CQSZACIVSA-N 1 2 328.368 3.201 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000339080970 456931179 /nfs/dbraw/zinc/93/11/79/456931179.db2.gz UFVGEOHBHCBGHU-CQSZACIVSA-N 1 2 328.368 3.201 20 5 EGBDLO Cc1ccnc(OC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000339083107 456932544 /nfs/dbraw/zinc/93/25/44/456932544.db2.gz ZCMJUOURALPGFZ-UHFFFAOYSA-N 1 2 343.383 3.047 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000349893978 457097515 /nfs/dbraw/zinc/09/75/15/457097515.db2.gz MQOZDVMCKDYSII-OAHLLOKOSA-N 1 2 343.387 3.218 20 5 EGBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000356916141 457216765 /nfs/dbraw/zinc/21/67/65/457216765.db2.gz KJVZPMZGBUBNGF-SNVBAGLBSA-N 1 2 328.328 3.397 20 5 EGBDLO CCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000347618217 457552499 /nfs/dbraw/zinc/55/24/99/457552499.db2.gz VQDKWEFFHUDZKM-CQSZACIVSA-N 1 2 325.372 3.269 20 5 EGBDLO CC(C)(C(=O)Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1F ZINC000357848926 457711061 /nfs/dbraw/zinc/71/10/61/457711061.db2.gz ARFBEJSLOMNQRN-UHFFFAOYSA-N 1 2 342.330 3.298 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000433755819 457877290 /nfs/dbraw/zinc/87/72/90/457877290.db2.gz BGOSHMZLVLIYNT-UHFFFAOYSA-N 1 2 347.806 3.293 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000433755819 457877296 /nfs/dbraw/zinc/87/72/96/457877296.db2.gz BGOSHMZLVLIYNT-UHFFFAOYSA-N 1 2 347.806 3.293 20 5 EGBDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000444738419 457959240 /nfs/dbraw/zinc/95/92/40/457959240.db2.gz UDIMZGSHGFNGNU-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000444738419 457959247 /nfs/dbraw/zinc/95/92/47/457959247.db2.gz UDIMZGSHGFNGNU-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000411927536 458013857 /nfs/dbraw/zinc/01/38/57/458013857.db2.gz SITGMKHTLWUIQJ-GUYCJALGSA-N 1 2 334.322 3.181 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000411927536 458013863 /nfs/dbraw/zinc/01/38/63/458013863.db2.gz SITGMKHTLWUIQJ-GUYCJALGSA-N 1 2 334.322 3.181 20 5 EGBDLO CC(C)c1ccc(CN(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000435056397 458086637 /nfs/dbraw/zinc/08/66/37/458086637.db2.gz MPSVWFBSBFIFEE-IYBDPMFKSA-N 1 2 349.475 3.259 20 5 EGBDLO CC(C)c1ccc(CN(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000435056397 458086642 /nfs/dbraw/zinc/08/66/42/458086642.db2.gz MPSVWFBSBFIFEE-IYBDPMFKSA-N 1 2 349.475 3.259 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369397432 458202489 /nfs/dbraw/zinc/20/24/89/458202489.db2.gz GTTXZNNNJPZBQN-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369397432 458202493 /nfs/dbraw/zinc/20/24/93/458202493.db2.gz GTTXZNNNJPZBQN-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000372244073 458245129 /nfs/dbraw/zinc/24/51/29/458245129.db2.gz HEVSBGUQBFAECI-LLVKDONJSA-N 1 2 348.790 3.061 20 5 EGBDLO CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000362569685 458275745 /nfs/dbraw/zinc/27/57/45/458275745.db2.gz YPOPCMOIGFPITI-OCCSQVGLSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000376550783 458334643 /nfs/dbraw/zinc/33/46/43/458334643.db2.gz GHWVNECIMPSEBJ-LRDDRELGSA-N 1 2 342.355 3.481 20 5 EGBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000376550783 458334647 /nfs/dbraw/zinc/33/46/47/458334647.db2.gz GHWVNECIMPSEBJ-LRDDRELGSA-N 1 2 342.355 3.481 20 5 EGBDLO CC1(C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447799643 458342857 /nfs/dbraw/zinc/34/28/57/458342857.db2.gz KSOHGWYTXIWBIN-UHFFFAOYSA-N 1 2 333.432 3.053 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437585785 458470999 /nfs/dbraw/zinc/47/09/99/458470999.db2.gz XCBLHABTSUPQCV-GUYCJALGSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437585785 458471002 /nfs/dbraw/zinc/47/10/02/458471002.db2.gz XCBLHABTSUPQCV-GUYCJALGSA-N 1 2 325.368 3.369 20 5 EGBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1[nH+]c2ccc(F)cc2n1C ZINC000431417609 458569901 /nfs/dbraw/zinc/56/99/01/458569901.db2.gz ZRGCYBMGWZOWKY-UHFFFAOYSA-N 1 2 328.347 3.300 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](Cc2ccco2)CC1 ZINC000470175711 458621472 /nfs/dbraw/zinc/62/14/72/458621472.db2.gz FIGNTMWLFUMGJE-VBKFSLOCSA-N 1 2 341.411 3.409 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(Cc2ccco2)CC1 ZINC000470175711 458621478 /nfs/dbraw/zinc/62/14/78/458621478.db2.gz FIGNTMWLFUMGJE-VBKFSLOCSA-N 1 2 341.411 3.409 20 5 EGBDLO O=[N+]([O-])c1ccc(CCN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000502763594 458667213 /nfs/dbraw/zinc/66/72/13/458667213.db2.gz UZQNHOUXPMRQSN-UHFFFAOYSA-N 1 2 343.402 3.094 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(CNc3cccc(CO)[nH+]3)cs2)c1 ZINC000432745023 458778421 /nfs/dbraw/zinc/77/84/21/458778421.db2.gz PXBVWUZSUPYJPD-UHFFFAOYSA-N 1 2 342.380 3.218 20 5 EGBDLO Cc1cc(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1C ZINC000532020807 459018860 /nfs/dbraw/zinc/01/88/60/459018860.db2.gz IZMMGLZVHUEAFZ-UHFFFAOYSA-N 1 2 341.411 3.397 20 5 EGBDLO Cc1cc(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1C ZINC000532020807 459018864 /nfs/dbraw/zinc/01/88/64/459018864.db2.gz IZMMGLZVHUEAFZ-UHFFFAOYSA-N 1 2 341.411 3.397 20 5 EGBDLO COc1cc(C[N@@H+]2CCC=C(c3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000577408651 459029970 /nfs/dbraw/zinc/02/99/70/459029970.db2.gz BSSUYKYVYCKBDR-UHFFFAOYSA-N 1 2 343.358 3.427 20 5 EGBDLO COc1cc(C[N@H+]2CCC=C(c3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000577408651 459029972 /nfs/dbraw/zinc/02/99/72/459029972.db2.gz BSSUYKYVYCKBDR-UHFFFAOYSA-N 1 2 343.358 3.427 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442795373 459036303 /nfs/dbraw/zinc/03/63/03/459036303.db2.gz DRZZUNCPQSMFLV-HIFRSBDPSA-N 1 2 330.388 3.154 20 5 EGBDLO CCCC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000477313610 459039990 /nfs/dbraw/zinc/03/99/90/459039990.db2.gz HSVCYSJMWTUEAL-ZDUSSCGKSA-N 1 2 328.796 3.112 20 5 EGBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1[N+](=O)[O-] ZINC000595385164 459288427 /nfs/dbraw/zinc/28/84/27/459288427.db2.gz UGYKQKCYUDULJA-LLVKDONJSA-N 1 2 335.385 3.190 20 5 EGBDLO Cc1noc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1[N+](=O)[O-] ZINC000595385164 459288432 /nfs/dbraw/zinc/28/84/32/459288432.db2.gz UGYKQKCYUDULJA-LLVKDONJSA-N 1 2 335.385 3.190 20 5 EGBDLO Cc1noc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000595423541 459296051 /nfs/dbraw/zinc/29/60/51/459296051.db2.gz AIDAFIOUCBGKIG-AWEZNQCLSA-N 1 2 347.371 3.064 20 5 EGBDLO CCn1c(CCNc2c(Cl)cncc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000596099682 459520107 /nfs/dbraw/zinc/52/01/07/459520107.db2.gz VLFIPBQYHJGMEM-UHFFFAOYSA-N 1 2 345.790 3.089 20 5 EGBDLO CC(=O)Nc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000592986471 459732220 /nfs/dbraw/zinc/73/22/20/459732220.db2.gz IDRPEVNYBDJMFE-UHFFFAOYSA-N 1 2 326.356 3.215 20 5 EGBDLO O=[N+]([O-])c1cccc(CCc2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000546306026 459909408 /nfs/dbraw/zinc/90/94/08/459909408.db2.gz AYMXUQPZZNKAQK-UHFFFAOYSA-N 1 2 349.350 3.002 20 5 EGBDLO C[N@H+]1Cc2ccccc2[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602582961 460008784 /nfs/dbraw/zinc/00/87/84/460008784.db2.gz ZOBDWRXNYQDLGB-MRXNPFEDSA-N 1 2 338.367 3.012 20 5 EGBDLO C[N@@H+]1Cc2ccccc2[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602582961 460008790 /nfs/dbraw/zinc/00/87/90/460008790.db2.gz ZOBDWRXNYQDLGB-MRXNPFEDSA-N 1 2 338.367 3.012 20 5 EGBDLO CN1Cc2ccccc2[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602582961 460008799 /nfs/dbraw/zinc/00/87/99/460008799.db2.gz ZOBDWRXNYQDLGB-MRXNPFEDSA-N 1 2 338.367 3.012 20 5 EGBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1=CCCOC1 ZINC000602712413 460079978 /nfs/dbraw/zinc/07/99/78/460079978.db2.gz VMCDZKNWDYZHME-UHFFFAOYSA-N 1 2 347.234 3.197 20 5 EGBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1=CCCOC1 ZINC000602712413 460079983 /nfs/dbraw/zinc/07/99/83/460079983.db2.gz VMCDZKNWDYZHME-UHFFFAOYSA-N 1 2 347.234 3.197 20 5 EGBDLO COc1cc(C[NH+]2CC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602750705 460104215 /nfs/dbraw/zinc/10/42/15/460104215.db2.gz AZXIJZBVQJPKJY-UHFFFAOYSA-N 1 2 330.331 3.089 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000610392221 460141130 /nfs/dbraw/zinc/14/11/30/460141130.db2.gz IPXRGPFIOCAUNM-CQSZACIVSA-N 1 2 333.432 3.379 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000610392221 460141141 /nfs/dbraw/zinc/14/11/41/460141141.db2.gz IPXRGPFIOCAUNM-CQSZACIVSA-N 1 2 333.432 3.379 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC(C2CC2)CC1 ZINC000589873498 460155039 /nfs/dbraw/zinc/15/50/39/460155039.db2.gz NIUITGJCZNCZIQ-UHFFFAOYSA-N 1 2 345.443 3.053 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CC(F)F)c2ccncc21 ZINC000599132919 460170768 /nfs/dbraw/zinc/17/07/68/460170768.db2.gz LEEXDWXHWYVCRC-LLVKDONJSA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CC(F)F)c2ccncc21 ZINC000599132919 460170772 /nfs/dbraw/zinc/17/07/72/460170772.db2.gz LEEXDWXHWYVCRC-LLVKDONJSA-N 1 2 336.342 3.284 20 5 EGBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602941313 460194701 /nfs/dbraw/zinc/19/47/01/460194701.db2.gz JLHJQSYWTGATPS-UHFFFAOYSA-N 1 2 339.193 3.021 20 5 EGBDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602941313 460194708 /nfs/dbraw/zinc/19/47/08/460194708.db2.gz JLHJQSYWTGATPS-UHFFFAOYSA-N 1 2 339.193 3.021 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599622446 460290485 /nfs/dbraw/zinc/29/04/85/460290485.db2.gz IMMJHDXSLAQWJM-SNVBAGLBSA-N 1 2 328.315 3.081 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599622446 460290489 /nfs/dbraw/zinc/29/04/89/460290489.db2.gz IMMJHDXSLAQWJM-SNVBAGLBSA-N 1 2 328.315 3.081 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599624691 460290584 /nfs/dbraw/zinc/29/05/84/460290584.db2.gz WJSQUQXBDWCCPL-SNVBAGLBSA-N 1 2 338.314 3.264 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599624691 460290587 /nfs/dbraw/zinc/29/05/87/460290587.db2.gz WJSQUQXBDWCCPL-SNVBAGLBSA-N 1 2 338.314 3.264 20 5 EGBDLO Cc1cc(N(CCO)CC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611143433 460295955 /nfs/dbraw/zinc/29/59/55/460295955.db2.gz PCRUPKMYWSCLGK-UHFFFAOYSA-N 1 2 344.415 3.205 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)s1 ZINC000601186920 460743651 /nfs/dbraw/zinc/74/36/51/460743651.db2.gz GRSBSQOGQQQQQN-UHFFFAOYSA-N 1 2 343.412 3.387 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-] ZINC000181806844 534227884 /nfs/dbraw/zinc/22/78/84/534227884.db2.gz RZYSBPLLNHFCFH-NSHDSACASA-N 1 2 328.328 3.397 20 5 EGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000131947855 526594436 /nfs/dbraw/zinc/59/44/36/526594436.db2.gz WADZSMIKKSXEML-UHFFFAOYSA-N 1 2 345.355 3.185 20 5 EGBDLO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000356290666 535603457 /nfs/dbraw/zinc/60/34/57/535603457.db2.gz HFKXMAIVHKLWBK-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CO[NH+]=C(N)c1ccccc1 ZINC000729674078 574879271 /nfs/dbraw/zinc/87/92/71/574879271.db2.gz APVZEHZYQCKMPW-UHFFFAOYSA-N 1 2 329.356 3.429 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N3CC[NH+](Cc4ccco4)CC3)sc2c1 ZINC000731205610 575059860 /nfs/dbraw/zinc/05/98/60/575059860.db2.gz BVHUENHBXMWPOY-UHFFFAOYSA-N 1 2 344.396 3.120 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2cc([N+](=O)[O-])ccc2F)c1C ZINC000736786239 576029472 /nfs/dbraw/zinc/02/94/72/576029472.db2.gz BPHOHYVDKHDDBB-UHFFFAOYSA-N 1 2 334.303 3.111 20 5 EGBDLO Cc1ncsc1C[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738161396 576295669 /nfs/dbraw/zinc/29/56/69/576295669.db2.gz SUWJMKPQAFQPBJ-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO Cc1ncsc1C[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738161396 576295671 /nfs/dbraw/zinc/29/56/71/576295671.db2.gz SUWJMKPQAFQPBJ-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009996313 1291111299 /nfs/dbraw/zinc/11/12/99/1291111299.db2.gz KNYUEYSFUNYMKL-UHFFFAOYSA-N 1 2 345.786 3.245 20 5 EGBDLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009996313 1291111304 /nfs/dbraw/zinc/11/13/04/1291111304.db2.gz KNYUEYSFUNYMKL-UHFFFAOYSA-N 1 2 345.786 3.245 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CCCC2)C1 ZINC000173724082 1294469691 /nfs/dbraw/zinc/46/96/91/1294469691.db2.gz WNYQDKPXOIDRQD-UHFFFAOYSA-N 1 2 340.383 3.187 20 5 EGBDLO C[C@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1c1ccccc1 ZINC000247398874 1296391815 /nfs/dbraw/zinc/39/18/15/1296391815.db2.gz HMMPGVNJVMRIGK-YVEFUNNKSA-N 1 2 339.351 3.153 20 5 EGBDLO C[C@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1c1ccccc1 ZINC000247398874 1296391829 /nfs/dbraw/zinc/39/18/29/1296391829.db2.gz HMMPGVNJVMRIGK-YVEFUNNKSA-N 1 2 339.351 3.153 20 5 EGBDLO COCC[N@@H+](Cc1ccc(C)cc1C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746051735 1298518240 /nfs/dbraw/zinc/51/82/40/1298518240.db2.gz QLVNILCBTXUUKG-UHFFFAOYSA-N 1 2 346.431 3.131 20 5 EGBDLO COCC[N@H+](Cc1ccc(C)cc1C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746051735 1298518249 /nfs/dbraw/zinc/51/82/49/1298518249.db2.gz QLVNILCBTXUUKG-UHFFFAOYSA-N 1 2 346.431 3.131 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H](CO)CC2)cc1Br ZINC000877554651 1299393458 /nfs/dbraw/zinc/39/34/58/1299393458.db2.gz LBPKNQSQDACNSG-VIFPVBQESA-N 1 2 349.250 3.013 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H](CO)CC2)cc1Br ZINC000877554651 1299393468 /nfs/dbraw/zinc/39/34/68/1299393468.db2.gz LBPKNQSQDACNSG-VIFPVBQESA-N 1 2 349.250 3.013 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645496 1299453845 /nfs/dbraw/zinc/45/38/45/1299453845.db2.gz MZQDNYCEOTZZII-INIZCTEOSA-N 1 2 347.802 3.434 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645496 1299453849 /nfs/dbraw/zinc/45/38/49/1299453849.db2.gz MZQDNYCEOTZZII-INIZCTEOSA-N 1 2 347.802 3.434 20 5 EGBDLO COc1cc(CO[NH+]=C(N)c2ccccc2C)c([N+](=O)[O-])cc1F ZINC000766059236 1302380187 /nfs/dbraw/zinc/38/01/87/1302380187.db2.gz LFURKRCQZNIQLZ-UHFFFAOYSA-N 1 2 333.319 3.098 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000886213017 1303394872 /nfs/dbraw/zinc/39/48/72/1303394872.db2.gz KKMGGIWQJHPZGP-UHFFFAOYSA-N 1 2 348.790 3.082 20 5 EGBDLO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000788540668 1305967500 /nfs/dbraw/zinc/96/75/00/1305967500.db2.gz TUIQWYHDPVUWCI-ZWKOTPCHSA-N 1 2 330.384 3.148 20 5 EGBDLO O=[N+]([O-])c1ccc(COc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000789592885 1306189455 /nfs/dbraw/zinc/18/94/55/1306189455.db2.gz ZIJDOQZQSNVUSP-UHFFFAOYSA-N 1 2 340.295 3.268 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC2(CCOCC2)O1 ZINC000790929807 1308889019 /nfs/dbraw/zinc/88/90/19/1308889019.db2.gz CIGGKYZWAKSLPD-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC2(CCOCC2)O1 ZINC000790929807 1308889033 /nfs/dbraw/zinc/88/90/33/1308889033.db2.gz CIGGKYZWAKSLPD-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000894448684 1308895691 /nfs/dbraw/zinc/89/56/91/1308895691.db2.gz FAETVFCTOXHMCN-CQSZACIVSA-N 1 2 329.356 3.041 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000894448684 1308895704 /nfs/dbraw/zinc/89/57/04/1308895704.db2.gz FAETVFCTOXHMCN-CQSZACIVSA-N 1 2 329.356 3.041 20 5 EGBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000895801323 1309526989 /nfs/dbraw/zinc/52/69/89/1309526989.db2.gz HVZVAVGGVDZQAN-LBPRGKRZSA-N 1 2 329.347 3.055 20 5 EGBDLO CCC[C@@]1(C)CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637773 1309562778 /nfs/dbraw/zinc/56/27/78/1309562778.db2.gz XYLBPKWFMXLGLO-KRWDZBQOSA-N 1 2 333.388 3.362 20 5 EGBDLO CCC[C@@]1(C)CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637773 1309562781 /nfs/dbraw/zinc/56/27/81/1309562781.db2.gz XYLBPKWFMXLGLO-KRWDZBQOSA-N 1 2 333.388 3.362 20 5 EGBDLO CS[C@H](C)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000797203513 1310156696 /nfs/dbraw/zinc/15/66/96/1310156696.db2.gz FGPMRAWPOZQGTI-WDEREUQCSA-N 1 2 335.385 3.077 20 5 EGBDLO CC(C)SCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000803485128 1317130547 /nfs/dbraw/zinc/13/05/47/1317130547.db2.gz BMAQSRTYKQSDRM-UHFFFAOYSA-N 1 2 335.385 3.079 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1Cc2ccccc2C1 ZINC000807946692 1317602805 /nfs/dbraw/zinc/60/28/05/1317602805.db2.gz PTFPVRPHPIYVHH-UHFFFAOYSA-N 1 2 325.368 3.225 20 5 EGBDLO CCOc1cc(CO[NH+]=C(N)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000809990749 1317932434 /nfs/dbraw/zinc/93/24/34/1317932434.db2.gz FHTQMDGIVMNGAG-UHFFFAOYSA-N 1 2 329.356 3.349 20 5 EGBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(N(C)C)[nH+]1 ZINC000817439214 1319363176 /nfs/dbraw/zinc/36/31/76/1319363176.db2.gz KMTNCVPCHCNZLF-UHFFFAOYSA-N 1 2 328.372 3.233 20 5 EGBDLO O=[N+]([O-])c1ccccc1Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001206164143 1370977321 /nfs/dbraw/zinc/97/73/21/1370977321.db2.gz FIASKODGKRFLAA-UHFFFAOYSA-N 1 2 343.383 3.049 20 5 EGBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC001225942609 1375177973 /nfs/dbraw/zinc/17/79/73/1375177973.db2.gz RMQPJDLMPWTQGF-MRXNPFEDSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC001225942609 1375177977 /nfs/dbraw/zinc/17/79/77/1375177977.db2.gz RMQPJDLMPWTQGF-MRXNPFEDSA-N 1 2 346.358 3.014 20 5 EGBDLO C/C=C(\C)C(=O)NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159753864 1381891178 /nfs/dbraw/zinc/89/11/78/1381891178.db2.gz UOFGTKTVEAZJND-QLKAYGNNSA-N 1 2 349.456 3.261 20 5 EGBDLO C/C=C(\C)C(=O)NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159753864 1381891180 /nfs/dbraw/zinc/89/11/80/1381891180.db2.gz UOFGTKTVEAZJND-QLKAYGNNSA-N 1 2 349.456 3.261 20 5 EGBDLO O=[N+]([O-])c1ccc(NC2CN(c3cccc[nH+]3)C2)nc1-c1ccccc1 ZINC001161325873 1382371492 /nfs/dbraw/zinc/37/14/92/1382371492.db2.gz LJDDMFSIGRRWCM-UHFFFAOYSA-N 1 2 347.378 3.353 20 5 EGBDLO C[N@@H+]1CCO[C@@H](CNc2nc3c(ccc4ccccc43)nc2Cl)C1 ZINC001162684236 1382831987 /nfs/dbraw/zinc/83/19/87/1382831987.db2.gz UTSXZHWUTCAWNI-ZDUSSCGKSA-N 1 2 342.830 3.179 20 5 EGBDLO C[N@H+]1CCO[C@@H](CNc2nc3c(ccc4ccccc43)nc2Cl)C1 ZINC001162684236 1382831992 /nfs/dbraw/zinc/83/19/92/1382831992.db2.gz UTSXZHWUTCAWNI-ZDUSSCGKSA-N 1 2 342.830 3.179 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(NCc3ccc4[nH+]ccn4c3)nn2)cc1 ZINC001163140285 1382975089 /nfs/dbraw/zinc/97/50/89/1382975089.db2.gz AAWLDRPMKDYYSE-UHFFFAOYSA-N 1 2 346.350 3.312 20 5 EGBDLO Cc1cc(-n2cc[nH+]c2)ccc1CSCCn1cc([N+](=O)[O-])cn1 ZINC001338919296 1389822631 /nfs/dbraw/zinc/82/26/31/1389822631.db2.gz MDPPZHDBYQAQLT-UHFFFAOYSA-N 1 2 343.412 3.219 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cs1 ZINC000171786682 529745267 /nfs/dbraw/zinc/74/52/67/529745267.db2.gz BRRNECNFQQWCKQ-SNVBAGLBSA-N 1 2 349.412 3.331 20 5 EGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000129089649 223020151 /nfs/dbraw/zinc/02/01/51/223020151.db2.gz PBNDZRIQKBOIKN-ZDUSSCGKSA-N 1 2 345.424 3.175 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000129444028 223056422 /nfs/dbraw/zinc/05/64/22/223056422.db2.gz UXLFDLIJDOBGSU-ZZXKWVIFSA-N 1 2 343.349 3.178 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000129444028 223056425 /nfs/dbraw/zinc/05/64/25/223056425.db2.gz UXLFDLIJDOBGSU-ZZXKWVIFSA-N 1 2 343.349 3.178 20 5 EGBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120198414 152258282 /nfs/dbraw/zinc/25/82/82/152258282.db2.gz HHXVJEGJCSTQFG-MVGZEHJDSA-N 1 2 326.356 3.085 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000339193526 154744984 /nfs/dbraw/zinc/74/49/84/154744984.db2.gz HBZIPELWIKTLNO-UHFFFAOYSA-N 1 2 340.314 3.231 20 5 EGBDLO C[NH+](C)[C@H](c1nc(Cc2ccccc2[N+](=O)[O-])no1)c1ccccc1 ZINC000345540487 156136879 /nfs/dbraw/zinc/13/68/79/156136879.db2.gz LXZMTKPMJLOLCV-KRWDZBQOSA-N 1 2 338.367 3.220 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000377885978 157434051 /nfs/dbraw/zinc/43/40/51/157434051.db2.gz XAWGEXHTJPBMGM-SNVBAGLBSA-N 1 2 349.778 3.003 20 5 EGBDLO CC(C)c1ccc(C[NH+]2CCN(Cc3ccon3)CC2)cc1[N+](=O)[O-] ZINC000093561019 162015002 /nfs/dbraw/zinc/01/50/02/162015002.db2.gz QQJHGGGYMRQWEC-UHFFFAOYSA-N 1 2 344.415 3.024 20 5 EGBDLO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000112532179 162180487 /nfs/dbraw/zinc/18/04/87/162180487.db2.gz IOHKIRJABVPEGX-RYUDHWBXSA-N 1 2 338.367 3.243 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)n1 ZINC000128836194 162336178 /nfs/dbraw/zinc/33/61/78/162336178.db2.gz BPCFZQJPXMKURR-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)n1 ZINC000128836194 162336180 /nfs/dbraw/zinc/33/61/80/162336180.db2.gz BPCFZQJPXMKURR-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000305160208 163075380 /nfs/dbraw/zinc/07/53/80/163075380.db2.gz FAQBSUPHZAYBIL-RTBURBONSA-N 1 2 342.395 3.010 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000305160208 163075382 /nfs/dbraw/zinc/07/53/82/163075382.db2.gz FAQBSUPHZAYBIL-RTBURBONSA-N 1 2 342.395 3.010 20 5 EGBDLO CC(C)[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000338883792 163374212 /nfs/dbraw/zinc/37/42/12/163374212.db2.gz ORRKFUOGKYIICV-QMTHXVAHSA-N 1 2 334.351 3.074 20 5 EGBDLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000338939754 163394178 /nfs/dbraw/zinc/39/41/78/163394178.db2.gz MTBZTIVIPLDWIG-CYBMUJFWSA-N 1 2 345.424 3.175 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340340277 163553514 /nfs/dbraw/zinc/55/35/14/163553514.db2.gz PTFHOAKMSDCDMO-UHFFFAOYSA-N 1 2 339.273 3.245 20 5 EGBDLO CN(C)c1ccccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344076361 164098008 /nfs/dbraw/zinc/09/80/08/164098008.db2.gz UCLGHPSWOVIGOP-UHFFFAOYSA-N 1 2 339.399 3.169 20 5 EGBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344076361 164098009 /nfs/dbraw/zinc/09/80/09/164098009.db2.gz UCLGHPSWOVIGOP-UHFFFAOYSA-N 1 2 339.399 3.169 20 5 EGBDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000344455441 164182557 /nfs/dbraw/zinc/18/25/57/164182557.db2.gz YZTGMVIHNATTPF-AWEZNQCLSA-N 1 2 327.384 3.078 20 5 EGBDLO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000344455441 164182559 /nfs/dbraw/zinc/18/25/59/164182559.db2.gz YZTGMVIHNATTPF-AWEZNQCLSA-N 1 2 327.384 3.078 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000350363985 165037045 /nfs/dbraw/zinc/03/70/45/165037045.db2.gz ZOSCDMLVYMOKMU-UHFFFAOYSA-N 1 2 349.394 3.219 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000359531045 167181466 /nfs/dbraw/zinc/18/14/66/167181466.db2.gz FFDOSNWNOPKEIK-KRWDZBQOSA-N 1 2 348.374 3.344 20 5 EGBDLO Cc1cccc(CCNc2ncc(Br)cc2[N+](=O)[O-])[nH+]1 ZINC000359840550 167245511 /nfs/dbraw/zinc/24/55/11/167245511.db2.gz IDDHJSQHVCRFLF-UHFFFAOYSA-N 1 2 337.177 3.110 20 5 EGBDLO CNc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000361122609 167526882 /nfs/dbraw/zinc/52/68/82/167526882.db2.gz LQKFGFILNKGBBL-UHFFFAOYSA-N 1 2 337.339 3.075 20 5 EGBDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000179532727 265381871 /nfs/dbraw/zinc/38/18/71/265381871.db2.gz MGGSIADSMSRDLL-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000179532727 265381873 /nfs/dbraw/zinc/38/18/73/265381873.db2.gz MGGSIADSMSRDLL-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO CN(C)c1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000195057964 266157072 /nfs/dbraw/zinc/15/70/72/266157072.db2.gz LLYRAZZSIADYNW-UHFFFAOYSA-N 1 2 336.351 3.461 20 5 EGBDLO COC(=O)/C=C/c1ccc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000285486428 275881002 /nfs/dbraw/zinc/88/10/02/275881002.db2.gz DKDPKTGFWXHFJM-BIENSFFJSA-N 1 2 344.371 3.313 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000286474040 276004870 /nfs/dbraw/zinc/00/48/70/276004870.db2.gz PJCQYNMQHKCGEZ-BZNIZROVSA-N 1 2 326.343 3.000 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000286474040 276004871 /nfs/dbraw/zinc/00/48/71/276004871.db2.gz PJCQYNMQHKCGEZ-BZNIZROVSA-N 1 2 326.343 3.000 20 5 EGBDLO COc1ccnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1OC ZINC000292159639 276742460 /nfs/dbraw/zinc/74/24/60/276742460.db2.gz OKYGDHNIXZEDKE-UHFFFAOYSA-N 1 2 331.372 3.032 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000360670692 281012313 /nfs/dbraw/zinc/01/23/13/281012313.db2.gz YSZDVASCYZMTGU-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000293311637 308119212 /nfs/dbraw/zinc/11/92/12/308119212.db2.gz JCLNELBFTHADLA-UHFFFAOYSA-N 1 2 329.356 3.052 20 5 EGBDLO Cc1cc(NC[C@H](C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000294987748 308279097 /nfs/dbraw/zinc/27/90/97/308279097.db2.gz PZVRFUVNPBPDMA-GFCCVEGCSA-N 1 2 330.388 3.181 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000297765108 308561904 /nfs/dbraw/zinc/56/19/04/308561904.db2.gz PIZURXHXBPRAFY-ZDUSSCGKSA-N 1 2 348.790 3.205 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000302757248 308744402 /nfs/dbraw/zinc/74/44/02/308744402.db2.gz IXPUTJCTKCWIBZ-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC(C)Oc1cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000412394204 308984514 /nfs/dbraw/zinc/98/45/14/308984514.db2.gz FQDZDIGYMGTRJX-WCQYABFASA-N 1 2 344.371 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](C4CCOCC4)C3)c2c1 ZINC000413201035 309021153 /nfs/dbraw/zinc/02/11/53/309021153.db2.gz KTHVEQTXOOHENQ-OAHLLOKOSA-N 1 2 327.384 3.396 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000455036490 310341499 /nfs/dbraw/zinc/34/14/99/310341499.db2.gz QLJQWYIUGXHQPV-HNNXBMFYSA-N 1 2 340.383 3.132 20 5 EGBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417385830 309204011 /nfs/dbraw/zinc/20/40/11/309204011.db2.gz YBMUSEPGJJBGTN-IAGOWNOFSA-N 1 2 346.431 3.068 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(OC4CCC4)CC3)nc2c1 ZINC000419293514 309263306 /nfs/dbraw/zinc/26/33/06/309263306.db2.gz AKXGXOCKRWTSFF-UHFFFAOYSA-N 1 2 330.388 3.005 20 5 EGBDLO Cc1cc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420649858 309291641 /nfs/dbraw/zinc/29/16/41/309291641.db2.gz GZAYZLKELZNVHJ-UHFFFAOYSA-N 1 2 340.383 3.111 20 5 EGBDLO Cc1cc(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000420813600 309296230 /nfs/dbraw/zinc/29/62/30/309296230.db2.gz VWGNQRIFEUDQKL-AWEZNQCLSA-N 1 2 342.399 3.475 20 5 EGBDLO C[NH+](C)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1Cl ZINC000436518659 309758436 /nfs/dbraw/zinc/75/84/36/309758436.db2.gz RWIGUVCMMQORHK-UHFFFAOYSA-N 1 2 349.774 3.268 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000443435454 309901027 /nfs/dbraw/zinc/90/10/27/309901027.db2.gz XVYBQXKMVCQABA-LBPRGKRZSA-N 1 2 333.348 3.125 20 5 EGBDLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000444784264 309929995 /nfs/dbraw/zinc/92/99/95/309929995.db2.gz NDWMSVNTRFTIII-LBPRGKRZSA-N 1 2 342.321 3.420 20 5 EGBDLO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(Cl)c1 ZINC000446838869 309968977 /nfs/dbraw/zinc/96/89/77/309968977.db2.gz MXRYEGBTNKZYJX-UHFFFAOYSA-N 1 2 346.774 3.423 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448557781 310006271 /nfs/dbraw/zinc/00/62/71/310006271.db2.gz SDAKNSLBIFRJAS-AWEZNQCLSA-N 1 2 328.372 3.185 20 5 EGBDLO CC(C)([NH2+]Cc1ccn(CC(F)(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000451060411 310158240 /nfs/dbraw/zinc/15/82/40/310158240.db2.gz YADXHWFTNRGCGQ-UHFFFAOYSA-N 1 2 342.321 3.379 20 5 EGBDLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451553146 310185810 /nfs/dbraw/zinc/18/58/10/310185810.db2.gz XOYKNDCCXDVBLB-AWEZNQCLSA-N 1 2 329.404 3.216 20 5 EGBDLO CC(C)c1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451553146 310185811 /nfs/dbraw/zinc/18/58/11/310185811.db2.gz XOYKNDCCXDVBLB-AWEZNQCLSA-N 1 2 329.404 3.216 20 5 EGBDLO CC(C)[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(C)C ZINC000452133786 310214297 /nfs/dbraw/zinc/21/42/97/310214297.db2.gz RSGZRBAVFQZAHV-MRXNPFEDSA-N 1 2 342.399 3.287 20 5 EGBDLO CCC1(CC)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452149313 310215007 /nfs/dbraw/zinc/21/50/07/310215007.db2.gz LFNGTPGKQQMMIN-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncccc2OC)cc1[N+](=O)[O-] ZINC000453381416 310273881 /nfs/dbraw/zinc/27/38/81/310273881.db2.gz YKLDSUIWBRDMPS-GFCCVEGCSA-N 1 2 331.372 3.248 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454208243 310297117 /nfs/dbraw/zinc/29/71/17/310297117.db2.gz HIXBHSIHMCXZQO-VIFPVBQESA-N 1 2 337.767 3.347 20 5 EGBDLO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000454212438 310297378 /nfs/dbraw/zinc/29/73/78/310297378.db2.gz KRAHCPDVHURPAC-PRHODGIISA-N 1 2 335.751 3.272 20 5 EGBDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454538680 310315483 /nfs/dbraw/zinc/31/54/83/310315483.db2.gz DOYCTURISAMMIH-ZDUSSCGKSA-N 1 2 345.403 3.008 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456412162 310405038 /nfs/dbraw/zinc/40/50/38/310405038.db2.gz HDDSMRJOTLBAAC-XNRPHZJLSA-N 1 2 342.399 3.182 20 5 EGBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000493520191 311389239 /nfs/dbraw/zinc/38/92/39/311389239.db2.gz JTSCJUOCWLLNDO-BQYQJAHWSA-N 1 2 343.387 3.283 20 5 EGBDLO CCOC(=O)C[N@H+](CC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000535797065 314075647 /nfs/dbraw/zinc/07/56/47/314075647.db2.gz QUXNWDLOPHXGNS-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000535797065 314075648 /nfs/dbraw/zinc/07/56/48/314075648.db2.gz QUXNWDLOPHXGNS-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO CO[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539232413 314302428 /nfs/dbraw/zinc/30/24/28/314302428.db2.gz FPEZOFHOWLAHDN-GOEBONIOSA-N 1 2 342.399 3.009 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000572809530 317393129 /nfs/dbraw/zinc/39/31/29/317393129.db2.gz HUQUCBDVZZMDGE-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000572809530 317393133 /nfs/dbraw/zinc/39/31/33/317393133.db2.gz HUQUCBDVZZMDGE-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C3CC(F)(F)C3)no2)cc1-n1cc[nH+]c1 ZINC000351160503 324184657 /nfs/dbraw/zinc/18/46/57/324184657.db2.gz SYCHRZDTCGLQHW-UHFFFAOYSA-N 1 2 347.281 3.343 20 5 EGBDLO O=C(C[NH+]1CCC(CC(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000582316390 325431999 /nfs/dbraw/zinc/43/19/99/325431999.db2.gz PQYBDISSRPYOLY-UHFFFAOYSA-N 1 2 345.321 3.198 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007854155 453125970 /nfs/dbraw/zinc/12/59/70/453125970.db2.gz MFQUOKXFLWUTFL-OAHLLOKOSA-N 1 2 342.399 3.017 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007854155 453125979 /nfs/dbraw/zinc/12/59/79/453125979.db2.gz MFQUOKXFLWUTFL-OAHLLOKOSA-N 1 2 342.399 3.017 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000007911444 453132553 /nfs/dbraw/zinc/13/25/53/453132553.db2.gz WAOCYAHUFCYHJN-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000007911444 453132558 /nfs/dbraw/zinc/13/25/58/453132558.db2.gz WAOCYAHUFCYHJN-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000016624992 453615754 /nfs/dbraw/zinc/61/57/54/453615754.db2.gz ZYMGUIBWUALNSE-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000016624992 453615757 /nfs/dbraw/zinc/61/57/57/453615757.db2.gz ZYMGUIBWUALNSE-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3cccc([N+](=O)[O-])c3)c2cc1C ZINC000024097756 453725461 /nfs/dbraw/zinc/72/54/61/453725461.db2.gz HQZVYNUPDGXRMV-HNNXBMFYSA-N 1 2 341.367 3.001 20 5 EGBDLO C[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032654773 453881982 /nfs/dbraw/zinc/88/19/82/453881982.db2.gz SRFQDURGXIZCBV-JSGCOSHPSA-N 1 2 328.372 3.089 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075553430 453904106 /nfs/dbraw/zinc/90/41/06/453904106.db2.gz NGWWIZICERLKII-NSHDSACASA-N 1 2 346.412 3.060 20 5 EGBDLO Cc1cc(N[C@@H]2CCC[C@]2(C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000076061001 453955702 /nfs/dbraw/zinc/95/57/02/453955702.db2.gz NBYDIQPQZFJEOH-CRAIPNDOSA-N 1 2 342.399 3.323 20 5 EGBDLO Cc1occc1C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000055054795 453959379 /nfs/dbraw/zinc/95/93/79/453959379.db2.gz XMSHZIOLPFAYLB-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO Cc1occc1C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000055054795 453959382 /nfs/dbraw/zinc/95/93/82/453959382.db2.gz XMSHZIOLPFAYLB-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606881 454114514 /nfs/dbraw/zinc/11/45/14/454114514.db2.gz JVFOUMUIMOYQMU-RHSMWYFYSA-N 1 2 345.443 3.133 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606881 454114518 /nfs/dbraw/zinc/11/45/18/454114518.db2.gz JVFOUMUIMOYQMU-RHSMWYFYSA-N 1 2 345.443 3.133 20 5 EGBDLO Cc1cnc(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078631587 454289996 /nfs/dbraw/zinc/28/99/96/454289996.db2.gz XDDWDQNTEBTXCL-CHWSQXEVSA-N 1 2 343.387 3.050 20 5 EGBDLO Cc1cc(N2CCC[C@H]2C(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000092693083 454613218 /nfs/dbraw/zinc/61/32/18/454613218.db2.gz ISGFOYVEOHHHPZ-HNNXBMFYSA-N 1 2 342.399 3.100 20 5 EGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(F)cc1 ZINC000135221005 454648829 /nfs/dbraw/zinc/64/88/29/454648829.db2.gz LVLLSEFNOIIOIU-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(F)cc1 ZINC000135221005 454648835 /nfs/dbraw/zinc/64/88/35/454648835.db2.gz LVLLSEFNOIIOIU-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO CC[C@@]1(C)C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000135629098 454695373 /nfs/dbraw/zinc/69/53/73/454695373.db2.gz XZYRDAIPISAGAU-SJCJKPOMSA-N 1 2 346.387 3.207 20 5 EGBDLO CC[C@@]1(C)C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000135629098 454695374 /nfs/dbraw/zinc/69/53/74/454695374.db2.gz XZYRDAIPISAGAU-SJCJKPOMSA-N 1 2 346.387 3.207 20 5 EGBDLO CCOCCN(CC)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000107673313 454768240 /nfs/dbraw/zinc/76/82/40/454768240.db2.gz JEUXCPKFXHEEIA-UHFFFAOYSA-N 1 2 330.388 3.223 20 5 EGBDLO CC(C)CN(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153258492 454775368 /nfs/dbraw/zinc/77/53/68/454775368.db2.gz DOKYSOKSBGKXBA-UHFFFAOYSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)CN(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153258492 454775372 /nfs/dbraw/zinc/77/53/72/454775372.db2.gz DOKYSOKSBGKXBA-UHFFFAOYSA-N 1 2 345.443 3.206 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000162450694 454776552 /nfs/dbraw/zinc/77/65/52/454776552.db2.gz SSSMQRNRICIDQN-ZDUSSCGKSA-N 1 2 343.221 3.094 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCC[C@H]1CCO ZINC000162450694 454776546 /nfs/dbraw/zinc/77/65/46/454776546.db2.gz SSSMQRNRICIDQN-ZDUSSCGKSA-N 1 2 343.221 3.094 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000153899414 454845035 /nfs/dbraw/zinc/84/50/35/454845035.db2.gz STCYDUNBYHBYOY-UHFFFAOYSA-N 1 2 335.726 3.313 20 5 EGBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000182243641 455471008 /nfs/dbraw/zinc/47/10/08/455471008.db2.gz UMFFNXZZORTRPD-UHFFFAOYSA-N 1 2 331.338 3.053 20 5 EGBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000182243641 455471012 /nfs/dbraw/zinc/47/10/12/455471012.db2.gz UMFFNXZZORTRPD-UHFFFAOYSA-N 1 2 331.338 3.053 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000267001336 455490244 /nfs/dbraw/zinc/49/02/44/455490244.db2.gz YRXSELANQVMEDZ-UHFFFAOYSA-N 1 2 332.429 3.072 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000267001336 455490251 /nfs/dbraw/zinc/49/02/51/455490251.db2.gz YRXSELANQVMEDZ-UHFFFAOYSA-N 1 2 332.429 3.072 20 5 EGBDLO COc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000191195013 455461209 /nfs/dbraw/zinc/46/12/09/455461209.db2.gz PGTFFFIOBFBMFT-UHFFFAOYSA-N 1 2 338.404 3.001 20 5 EGBDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000161188971 455546036 /nfs/dbraw/zinc/54/60/36/455546036.db2.gz QVDNTLAWDCRTIC-AWEZNQCLSA-N 1 2 342.399 3.147 20 5 EGBDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000161188971 455546040 /nfs/dbraw/zinc/54/60/40/455546040.db2.gz QVDNTLAWDCRTIC-AWEZNQCLSA-N 1 2 342.399 3.147 20 5 EGBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000268298600 455643804 /nfs/dbraw/zinc/64/38/04/455643804.db2.gz XIFULWBZVRXBNX-DYVFJYSZSA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@@H](c1ccco1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000248109929 455681514 /nfs/dbraw/zinc/68/15/14/455681514.db2.gz JWECTSCRONELSD-LBPRGKRZSA-N 1 2 340.339 3.207 20 5 EGBDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193340533 455753287 /nfs/dbraw/zinc/75/32/87/455753287.db2.gz YYVXAJYDDWJQCJ-UHFFFAOYSA-N 1 2 335.404 3.038 20 5 EGBDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193340533 455753293 /nfs/dbraw/zinc/75/32/93/455753293.db2.gz YYVXAJYDDWJQCJ-UHFFFAOYSA-N 1 2 335.404 3.038 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1[N+](=O)[O-] ZINC000285551739 455868059 /nfs/dbraw/zinc/86/80/59/455868059.db2.gz QWGPYQYVHOCZHE-UHFFFAOYSA-N 1 2 344.367 3.094 20 5 EGBDLO CCOc1cc(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1[N+](=O)[O-] ZINC000285551739 455868064 /nfs/dbraw/zinc/86/80/64/455868064.db2.gz QWGPYQYVHOCZHE-UHFFFAOYSA-N 1 2 344.367 3.094 20 5 EGBDLO Cc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301461727 456121493 /nfs/dbraw/zinc/12/14/93/456121493.db2.gz ZSXVFCQVMCXAPV-NEPJUHHUSA-N 1 2 327.812 3.078 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3cccc(F)c3C2)c2c(c1)COCO2 ZINC000271090179 456123370 /nfs/dbraw/zinc/12/33/70/456123370.db2.gz HJKKUUGETGBVQU-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3cccc(F)c3C2)c2c(c1)COCO2 ZINC000271090179 456123372 /nfs/dbraw/zinc/12/33/72/456123372.db2.gz HJKKUUGETGBVQU-UHFFFAOYSA-N 1 2 344.342 3.159 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000289824650 456145483 /nfs/dbraw/zinc/14/54/83/456145483.db2.gz OIBCQULHYIUBAS-ZYHUDNBSSA-N 1 2 341.358 3.207 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000289824650 456145487 /nfs/dbraw/zinc/14/54/87/456145487.db2.gz OIBCQULHYIUBAS-ZYHUDNBSSA-N 1 2 341.358 3.207 20 5 EGBDLO Cc1nc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301633391 456169277 /nfs/dbraw/zinc/16/92/77/456169277.db2.gz DIYHYNYGFCNVBR-AWEZNQCLSA-N 1 2 336.342 3.291 20 5 EGBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1(F)F ZINC000289904755 456176344 /nfs/dbraw/zinc/17/63/44/456176344.db2.gz SRRVUKLKJGQPNY-JTQLQIEISA-N 1 2 338.314 3.122 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1(F)F ZINC000289904755 456176351 /nfs/dbraw/zinc/17/63/51/456176351.db2.gz SRRVUKLKJGQPNY-JTQLQIEISA-N 1 2 338.314 3.122 20 5 EGBDLO C[C@@H]1C[NH+](C(C)(C)CNc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000301807486 456219462 /nfs/dbraw/zinc/21/94/62/456219462.db2.gz WQOTXXCIEDMHRE-GHMZBOCLSA-N 1 2 343.374 3.173 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348238249 456559583 /nfs/dbraw/zinc/55/95/83/456559583.db2.gz YCSZOPWAHGJDGQ-UGSOOPFHSA-N 1 2 334.416 3.381 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348238249 456559587 /nfs/dbraw/zinc/55/95/87/456559587.db2.gz YCSZOPWAHGJDGQ-UGSOOPFHSA-N 1 2 334.416 3.381 20 5 EGBDLO CC(C)SCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000348319823 456620306 /nfs/dbraw/zinc/62/03/06/456620306.db2.gz ZJTRKRZQRQRCHY-OAHLLOKOSA-N 1 2 334.445 3.149 20 5 EGBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)oc1C ZINC000283370512 456767393 /nfs/dbraw/zinc/76/73/93/456767393.db2.gz CFAIYFMSNPSDGT-UHFFFAOYSA-N 1 2 336.319 3.054 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)oc1C ZINC000283370512 456767400 /nfs/dbraw/zinc/76/74/00/456767400.db2.gz CFAIYFMSNPSDGT-UHFFFAOYSA-N 1 2 336.319 3.054 20 5 EGBDLO CC(C)CCc1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338350779 456780845 /nfs/dbraw/zinc/78/08/45/456780845.db2.gz IHLZETADOJYTJV-UHFFFAOYSA-N 1 2 332.404 3.241 20 5 EGBDLO CC(C)CCc1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338350779 456780851 /nfs/dbraw/zinc/78/08/51/456780851.db2.gz IHLZETADOJYTJV-UHFFFAOYSA-N 1 2 332.404 3.241 20 5 EGBDLO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000341275168 456829474 /nfs/dbraw/zinc/82/94/74/456829474.db2.gz CNROWEZADIARBY-LLVKDONJSA-N 1 2 349.337 3.187 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@](=O)C1 ZINC000277491505 456843215 /nfs/dbraw/zinc/84/32/15/456843215.db2.gz NKWOZTVVPUOWMF-OZAJXLCCSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@](=O)C1 ZINC000277491505 456843221 /nfs/dbraw/zinc/84/32/21/456843221.db2.gz NKWOZTVVPUOWMF-OZAJXLCCSA-N 1 2 348.424 3.055 20 5 EGBDLO CC(C)(NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000353681072 456851638 /nfs/dbraw/zinc/85/16/38/456851638.db2.gz VJZWYCZAOCZWNI-UHFFFAOYSA-N 1 2 339.355 3.299 20 5 EGBDLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000342059196 457084974 /nfs/dbraw/zinc/08/49/74/457084974.db2.gz IDGBOSOCFSDMTR-ZDUSSCGKSA-N 1 2 336.351 3.272 20 5 EGBDLO COc1cc(CNc2c[nH+]c3c(c2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000359944677 457162551 /nfs/dbraw/zinc/16/25/51/457162551.db2.gz AUZWQUNJZFXICM-UHFFFAOYSA-N 1 2 343.383 3.498 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ccc([N+](=O)[O-])c(C)n2)C3)cc1 ZINC000362949655 457169735 /nfs/dbraw/zinc/16/97/35/457169735.db2.gz REYSVGKPOYGHDK-UHFFFAOYSA-N 1 2 349.394 3.355 20 5 EGBDLO Cn1c(CCNc2c(F)cccc2[N+](=O)[O-])[nH+]c2ccc(F)cc21 ZINC000342408977 457286268 /nfs/dbraw/zinc/28/62/68/457286268.db2.gz CGJFCRDIWHSOOP-UHFFFAOYSA-N 1 2 332.310 3.414 20 5 EGBDLO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1[nH+]ccn1C ZINC000357232010 457388348 /nfs/dbraw/zinc/38/83/48/457388348.db2.gz MFAIDSLTSGUQBN-UHFFFAOYSA-N 1 2 326.356 3.220 20 5 EGBDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267890 457673262 /nfs/dbraw/zinc/67/32/62/457673262.db2.gz SOJGCTXSFAXUKT-INIZCTEOSA-N 1 2 325.372 3.449 20 5 EGBDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267890 457673264 /nfs/dbraw/zinc/67/32/64/457673264.db2.gz SOJGCTXSFAXUKT-INIZCTEOSA-N 1 2 325.372 3.449 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000364746320 457686466 /nfs/dbraw/zinc/68/64/66/457686466.db2.gz NIKDYCWFFDVETG-GFCCVEGCSA-N 1 2 339.355 3.199 20 5 EGBDLO Cc1cnc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)s1 ZINC000444686567 457940218 /nfs/dbraw/zinc/94/02/18/457940218.db2.gz DJZFTURPEYXJOD-OAHLLOKOSA-N 1 2 343.412 3.477 20 5 EGBDLO CC(C)(C)c1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000369086483 458074667 /nfs/dbraw/zinc/07/46/67/458074667.db2.gz XDSGLTXJTHMFFL-UHFFFAOYSA-N 1 2 349.460 3.382 20 5 EGBDLO CC(C)Oc1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000412394201 458190830 /nfs/dbraw/zinc/19/08/30/458190830.db2.gz FQDZDIGYMGTRJX-DGCLKSJQSA-N 1 2 344.371 3.014 20 5 EGBDLO Cc1ccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000369367329 458191873 /nfs/dbraw/zinc/19/18/73/458191873.db2.gz YHSATPDBQHYLTJ-UHFFFAOYSA-N 1 2 343.387 3.100 20 5 EGBDLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446711728 458216468 /nfs/dbraw/zinc/21/64/68/458216468.db2.gz NLKDQSPLJHDGPO-AWEZNQCLSA-N 1 2 345.443 3.038 20 5 EGBDLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446711728 458216475 /nfs/dbraw/zinc/21/64/75/458216475.db2.gz NLKDQSPLJHDGPO-AWEZNQCLSA-N 1 2 345.443 3.038 20 5 EGBDLO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000428948047 458238824 /nfs/dbraw/zinc/23/88/24/458238824.db2.gz USFXNSCDDAEFDH-ZDUSSCGKSA-N 1 2 348.321 3.015 20 5 EGBDLO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000428948047 458238829 /nfs/dbraw/zinc/23/88/29/458238829.db2.gz USFXNSCDDAEFDH-ZDUSSCGKSA-N 1 2 348.321 3.015 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362592020 458288547 /nfs/dbraw/zinc/28/85/47/458288547.db2.gz MMFMCVJJPSQZKJ-WMLDXEAASA-N 1 2 334.416 3.092 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362592020 458288550 /nfs/dbraw/zinc/28/85/50/458288550.db2.gz MMFMCVJJPSQZKJ-WMLDXEAASA-N 1 2 334.416 3.092 20 5 EGBDLO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436862338 458395419 /nfs/dbraw/zinc/39/54/19/458395419.db2.gz YIBLDCKUJKLADU-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411702 458485509 /nfs/dbraw/zinc/48/55/09/458485509.db2.gz GVFUKMKDXXEPCS-SUMWQHHRSA-N 1 2 340.383 3.011 20 5 EGBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411702 458485514 /nfs/dbraw/zinc/48/55/14/458485514.db2.gz GVFUKMKDXXEPCS-SUMWQHHRSA-N 1 2 340.383 3.011 20 5 EGBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)C(C)C ZINC000460067517 458498809 /nfs/dbraw/zinc/49/88/09/458498809.db2.gz STQVJAIIVZGIPM-ZDUSSCGKSA-N 1 2 330.388 3.287 20 5 EGBDLO Cc1cscc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000439605434 458729124 /nfs/dbraw/zinc/72/91/24/458729124.db2.gz YFCWUUQCLVOOPL-UHFFFAOYSA-N 1 2 328.353 3.403 20 5 EGBDLO C[C@@H]1CCCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472030025 458762886 /nfs/dbraw/zinc/76/28/86/458762886.db2.gz PEJLRQKUDPJSNK-GDBMZVCRSA-N 1 2 333.432 3.418 20 5 EGBDLO CO[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000440674710 458840809 /nfs/dbraw/zinc/84/08/09/458840809.db2.gz TVTRAYMJJFCEIU-CZUORRHYSA-N 1 2 342.399 3.364 20 5 EGBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000548302514 458862127 /nfs/dbraw/zinc/86/21/27/458862127.db2.gz GDAAUJBRJFXISK-SFHVURJKSA-N 1 2 342.395 3.201 20 5 EGBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000548302514 458862131 /nfs/dbraw/zinc/86/21/31/458862131.db2.gz GDAAUJBRJFXISK-SFHVURJKSA-N 1 2 342.395 3.201 20 5 EGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000567276372 459078440 /nfs/dbraw/zinc/07/84/40/459078440.db2.gz GXPGPWQBIAZGEN-CQSZACIVSA-N 1 2 330.388 3.180 20 5 EGBDLO Cc1cc(NCCSC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000557753071 459104308 /nfs/dbraw/zinc/10/43/08/459104308.db2.gz JZYACYLVJQCWLI-UHFFFAOYSA-N 1 2 332.429 3.336 20 5 EGBDLO C[C@H](N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000590620234 459164966 /nfs/dbraw/zinc/16/49/66/459164966.db2.gz HZNPANUUBDPDOY-LBPRGKRZSA-N 1 2 330.388 3.287 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000595018309 459217096 /nfs/dbraw/zinc/21/70/96/459217096.db2.gz NKMQVRANWKIAHW-CYBMUJFWSA-N 1 2 340.383 3.410 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000595036095 459224499 /nfs/dbraw/zinc/22/44/99/459224499.db2.gz OXOUGTFJKUTCLR-GHMZBOCLSA-N 1 2 333.392 3.257 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nnc(C2CC2)s1 ZINC000595045255 459227123 /nfs/dbraw/zinc/22/71/23/459227123.db2.gz SHDHMBMROZIHFD-VIFPVBQESA-N 1 2 334.401 3.183 20 5 EGBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1cc[nH+]c1 ZINC000590872537 459252707 /nfs/dbraw/zinc/25/27/07/459252707.db2.gz WNKZJNMMLMAHKV-UHFFFAOYSA-N 1 2 331.376 3.031 20 5 EGBDLO Cc1noc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595324467 459275985 /nfs/dbraw/zinc/27/59/85/459275985.db2.gz ABIWKLRGLXDFCP-IUODEOHRSA-N 1 2 331.372 3.162 20 5 EGBDLO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595324467 459275991 /nfs/dbraw/zinc/27/59/91/459275991.db2.gz ABIWKLRGLXDFCP-IUODEOHRSA-N 1 2 331.372 3.162 20 5 EGBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000540852209 459392871 /nfs/dbraw/zinc/39/28/71/459392871.db2.gz DAOOIQXQUDNROD-UHFFFAOYSA-N 1 2 340.314 3.054 20 5 EGBDLO Cc1cccc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1C ZINC000569984611 459542523 /nfs/dbraw/zinc/54/25/23/459542523.db2.gz OMIQBFUNJWLHGS-UHFFFAOYSA-N 1 2 341.411 3.239 20 5 EGBDLO CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000598299814 459853559 /nfs/dbraw/zinc/85/35/59/459853559.db2.gz UGIAGVKLAHLJJD-ZIAGYGMSSA-N 1 2 342.399 3.431 20 5 EGBDLO CCN(Cc1ccoc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000608808216 459886165 /nfs/dbraw/zinc/88/61/65/459886165.db2.gz JICCYTMPNORJIN-UHFFFAOYSA-N 1 2 340.339 3.036 20 5 EGBDLO Cn1cc([C@H]2CSCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000588587925 459955089 /nfs/dbraw/zinc/95/50/89/459955089.db2.gz NXYMKWJDPHBQBJ-XQDHMALISA-N 1 2 344.440 3.132 20 5 EGBDLO Cn1cc([C@H]2CSCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000588587925 459955096 /nfs/dbraw/zinc/95/50/96/459955096.db2.gz NXYMKWJDPHBQBJ-XQDHMALISA-N 1 2 344.440 3.132 20 5 EGBDLO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602626907 460029357 /nfs/dbraw/zinc/02/93/57/460029357.db2.gz NHOYEZOWCCPUHA-LBPRGKRZSA-N 1 2 349.250 3.156 20 5 EGBDLO CC[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602626907 460029362 /nfs/dbraw/zinc/02/93/62/460029362.db2.gz NHOYEZOWCCPUHA-LBPRGKRZSA-N 1 2 349.250 3.156 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccc4c(n3)CCCC4)nc2c1 ZINC000602631704 460033508 /nfs/dbraw/zinc/03/35/08/460033508.db2.gz GUVOFNFBNHMHAZ-UHFFFAOYSA-N 1 2 338.367 3.300 20 5 EGBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000602661775 460050689 /nfs/dbraw/zinc/05/06/89/460050689.db2.gz LPZZEHXNRFLFPR-QMMMGPOBSA-N 1 2 335.223 3.030 20 5 EGBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000602661775 460050695 /nfs/dbraw/zinc/05/06/95/460050695.db2.gz LPZZEHXNRFLFPR-QMMMGPOBSA-N 1 2 335.223 3.030 20 5 EGBDLO Cc1ncc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)o1 ZINC000602690576 460067185 /nfs/dbraw/zinc/06/71/85/460067185.db2.gz JPCADUCZPDNNRQ-UHFFFAOYSA-N 1 2 332.179 3.005 20 5 EGBDLO CCC(CC)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610366940 460136664 /nfs/dbraw/zinc/13/66/64/460136664.db2.gz MOVVCQRNHULJHN-AWEZNQCLSA-N 1 2 333.432 3.236 20 5 EGBDLO CCOCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599626042 460291469 /nfs/dbraw/zinc/29/14/69/460291469.db2.gz SIILKFBALQWZJE-INIZCTEOSA-N 1 2 345.399 3.417 20 5 EGBDLO CCOCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599626042 460291473 /nfs/dbraw/zinc/29/14/73/460291473.db2.gz SIILKFBALQWZJE-INIZCTEOSA-N 1 2 345.399 3.417 20 5 EGBDLO CC1CCN(c2ccc(CNc3cccnc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000603862542 460350897 /nfs/dbraw/zinc/35/08/97/460350897.db2.gz HXTAOPKUOUQQHO-UHFFFAOYSA-N 1 2 327.388 3.233 20 5 EGBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171956747 534005350 /nfs/dbraw/zinc/00/53/50/534005350.db2.gz PWJGWKUKVOJVTB-NSHDSACASA-N 1 2 341.383 3.079 20 5 EGBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171956747 534005352 /nfs/dbraw/zinc/00/53/52/534005352.db2.gz PWJGWKUKVOJVTB-NSHDSACASA-N 1 2 341.383 3.079 20 5 EGBDLO CCOC(=O)CC(C)(C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351754133 535616328 /nfs/dbraw/zinc/61/63/28/535616328.db2.gz ZBZZLEFQTKGKIF-UHFFFAOYSA-N 1 2 330.331 3.037 20 5 EGBDLO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351754133 535616333 /nfs/dbraw/zinc/61/63/33/535616333.db2.gz ZBZZLEFQTKGKIF-UHFFFAOYSA-N 1 2 330.331 3.037 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000265166099 536090471 /nfs/dbraw/zinc/09/04/71/536090471.db2.gz CSFJIXZLQSCGLI-UHFFFAOYSA-N 1 2 344.327 3.330 20 5 EGBDLO Cc1ccc2[nH+]c(COC(=O)c3ccc([N+](=O)[O-])c(F)c3)cn2c1 ZINC000731519150 575077760 /nfs/dbraw/zinc/07/77/60/575077760.db2.gz QJXHBXYOVCDMAH-UHFFFAOYSA-N 1 2 329.287 3.047 20 5 EGBDLO CCCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491571 575669674 /nfs/dbraw/zinc/66/96/74/575669674.db2.gz MQVQGNWEAJXKLW-UHFFFAOYSA-N 1 2 339.823 3.129 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000741151166 576661366 /nfs/dbraw/zinc/66/13/66/576661366.db2.gz WZGNRUKAAJBZIO-KRWDZBQOSA-N 1 2 328.368 3.331 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000741151166 576661368 /nfs/dbraw/zinc/66/13/68/576661368.db2.gz WZGNRUKAAJBZIO-KRWDZBQOSA-N 1 2 328.368 3.331 20 5 EGBDLO Cc1ccc(C[N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000076265840 1292423145 /nfs/dbraw/zinc/42/31/45/1292423145.db2.gz PWLCJEAFCZKNKZ-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO Cc1ccc(C[N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000076265840 1292423149 /nfs/dbraw/zinc/42/31/49/1292423149.db2.gz PWLCJEAFCZKNKZ-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO CN(C)c1cc(COC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000755914850 1300414975 /nfs/dbraw/zinc/41/49/75/1300414975.db2.gz RAPZPGPRPLJJHS-UHFFFAOYSA-N 1 2 335.747 3.066 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CF)C1 ZINC000880234409 1300996529 /nfs/dbraw/zinc/99/65/29/1300996529.db2.gz RMQUUGADJLIIMV-GHMZBOCLSA-N 1 2 343.786 3.257 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CF)C1 ZINC000880234409 1300996532 /nfs/dbraw/zinc/99/65/32/1300996532.db2.gz RMQUUGADJLIIMV-GHMZBOCLSA-N 1 2 343.786 3.257 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2nc(C)c3ccc([N+](=O)[O-])cc32)on1 ZINC000761287770 1301436099 /nfs/dbraw/zinc/43/60/99/1301436099.db2.gz DXYJSQNSMWXFLN-HNNXBMFYSA-N 1 2 341.371 3.344 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cn2nc(C)c3ccc([N+](=O)[O-])cc32)on1 ZINC000761287770 1301436104 /nfs/dbraw/zinc/43/61/04/1301436104.db2.gz DXYJSQNSMWXFLN-HNNXBMFYSA-N 1 2 341.371 3.344 20 5 EGBDLO COc1ccc(CC(N)=[NH+]OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000768521977 1302922016 /nfs/dbraw/zinc/92/20/16/1302922016.db2.gz NRYXQBYZRKGRBW-UHFFFAOYSA-N 1 2 349.774 3.498 20 5 EGBDLO CCOC(=O)N1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000769201052 1303069896 /nfs/dbraw/zinc/06/98/96/1303069896.db2.gz PECRSCJRNVCWDJ-UHFFFAOYSA-N 1 2 349.431 3.382 20 5 EGBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000769201052 1303069901 /nfs/dbraw/zinc/06/99/01/1303069901.db2.gz PECRSCJRNVCWDJ-UHFFFAOYSA-N 1 2 349.431 3.382 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000891522303 1305078035 /nfs/dbraw/zinc/07/80/35/1305078035.db2.gz KNEYBLVDCRUYTP-JTQLQIEISA-N 1 2 334.397 3.490 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCc3sccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000891522303 1305078043 /nfs/dbraw/zinc/07/80/43/1305078043.db2.gz KNEYBLVDCRUYTP-JTQLQIEISA-N 1 2 334.397 3.490 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000786581582 1305603426 /nfs/dbraw/zinc/60/34/26/1305603426.db2.gz OZXUBTPFFOHDJL-STQMWFEESA-N 1 2 349.431 3.097 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])cc2C(C)=O)c1C ZINC000786789541 1305630949 /nfs/dbraw/zinc/63/09/49/1305630949.db2.gz FZISGAXTJFNHOC-UHFFFAOYSA-N 1 2 343.383 3.454 20 5 EGBDLO COc1c(O)ccc(C[NH2+][C@@H](C)c2cccc(F)c2F)c1[N+](=O)[O-] ZINC000893211830 1305764727 /nfs/dbraw/zinc/76/47/27/1305764727.db2.gz ZDEBQCUXXPLAOZ-VIFPVBQESA-N 1 2 338.310 3.438 20 5 EGBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000793788822 1309442042 /nfs/dbraw/zinc/44/20/42/1309442042.db2.gz GRBBISNSIRUJOV-ZDUSSCGKSA-N 1 2 338.820 3.269 20 5 EGBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000793788822 1309442045 /nfs/dbraw/zinc/44/20/45/1309442045.db2.gz GRBBISNSIRUJOV-ZDUSSCGKSA-N 1 2 338.820 3.269 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000795644793 1309797259 /nfs/dbraw/zinc/79/72/59/1309797259.db2.gz LCVFMFGKWHUKLK-OAHLLOKOSA-N 1 2 347.459 3.311 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000795644793 1309797266 /nfs/dbraw/zinc/79/72/66/1309797266.db2.gz LCVFMFGKWHUKLK-OAHLLOKOSA-N 1 2 347.459 3.311 20 5 EGBDLO Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000804558625 1317258851 /nfs/dbraw/zinc/25/88/51/1317258851.db2.gz IDYQZXHLGBZVJI-UHFFFAOYSA-N 1 2 346.818 3.153 20 5 EGBDLO COCC[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809740748 1317886106 /nfs/dbraw/zinc/88/61/06/1317886106.db2.gz CPRPXCACPPKFIQ-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809740748 1317886111 /nfs/dbraw/zinc/88/61/11/1317886111.db2.gz CPRPXCACPPKFIQ-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000836547651 1320502398 /nfs/dbraw/zinc/50/23/98/1320502398.db2.gz MEKMJCIBVLURTP-UHFFFAOYSA-N 1 2 348.790 3.230 20 5 EGBDLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839578014 1320940488 /nfs/dbraw/zinc/94/04/88/1320940488.db2.gz JBQSNMHTIAVXSZ-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839578014 1320940490 /nfs/dbraw/zinc/94/04/90/1320940490.db2.gz JBQSNMHTIAVXSZ-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1CO ZINC000856798167 1325528321 /nfs/dbraw/zinc/52/83/21/1325528321.db2.gz PPYMEENVICTGQH-ONGXEEELSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1CO ZINC000856798167 1325528327 /nfs/dbraw/zinc/52/83/27/1325528327.db2.gz PPYMEENVICTGQH-ONGXEEELSA-N 1 2 333.215 3.352 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nnc(C3CCCC3)o2)ccc1-n1cc[nH+]c1 ZINC001117218647 1371023434 /nfs/dbraw/zinc/02/34/34/1371023434.db2.gz RZGHHBMAEJUBMK-UHFFFAOYSA-N 1 2 325.328 3.488 20 5 EGBDLO CC(C)CCC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001225994947 1375186674 /nfs/dbraw/zinc/18/66/74/1375186674.db2.gz YIAORZUDZYZVDO-UHFFFAOYSA-N 1 2 339.461 3.173 20 5 EGBDLO Cc1ccc(N2CCC(Oc3c(O)cccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC001226341767 1375243418 /nfs/dbraw/zinc/24/34/18/1375243418.db2.gz TZPKYLROBGFNRP-UHFFFAOYSA-N 1 2 329.356 3.052 20 5 EGBDLO Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000130823954 223179472 /nfs/dbraw/zinc/17/94/72/223179472.db2.gz QSBYUJYIMBKQAP-UHFFFAOYSA-N 1 2 328.372 3.437 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)CC1 ZINC000021848152 212256280 /nfs/dbraw/zinc/25/62/80/212256280.db2.gz RQTDHWLOSBQHGZ-LLVKDONJSA-N 1 2 325.796 3.307 20 5 EGBDLO COc1cc(NCc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000266122202 248111661 /nfs/dbraw/zinc/11/16/61/248111661.db2.gz MQQZPEXCPBYIQW-UHFFFAOYSA-N 1 2 328.372 3.211 20 5 EGBDLO Cc1csc([C@@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000266525362 248345380 /nfs/dbraw/zinc/34/53/80/248345380.db2.gz KCIVZFLDWMJJBY-WFASDCNBSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1csc([C@@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000266525362 248345384 /nfs/dbraw/zinc/34/53/84/248345384.db2.gz KCIVZFLDWMJJBY-WFASDCNBSA-N 1 2 333.413 3.494 20 5 EGBDLO O=C(Nc1cc(F)ccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000008778533 211006777 /nfs/dbraw/zinc/00/67/77/211006777.db2.gz PEPNBWUBDFQKCZ-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccsc2C1 ZINC000132551303 533327311 /nfs/dbraw/zinc/32/73/11/533327311.db2.gz XXPHPVGKGDNBLD-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccsc2C1 ZINC000132551303 533327316 /nfs/dbraw/zinc/32/73/16/533327316.db2.gz XXPHPVGKGDNBLD-NSHDSACASA-N 1 2 331.397 3.042 20 5 EGBDLO CC[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000346441893 141195824 /nfs/dbraw/zinc/19/58/24/141195824.db2.gz YHIQLLMZFXTFAS-KGLIPLIRSA-N 1 2 328.372 3.005 20 5 EGBDLO CC[C@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000346441893 141195826 /nfs/dbraw/zinc/19/58/26/141195826.db2.gz YHIQLLMZFXTFAS-KGLIPLIRSA-N 1 2 328.372 3.005 20 5 EGBDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000353334553 141289650 /nfs/dbraw/zinc/28/96/50/141289650.db2.gz RVAVAVUKIAPIJI-HNNXBMFYSA-N 1 2 345.424 3.034 20 5 EGBDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000353334553 141289651 /nfs/dbraw/zinc/28/96/51/141289651.db2.gz RVAVAVUKIAPIJI-HNNXBMFYSA-N 1 2 345.424 3.034 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](NCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000353439090 141295535 /nfs/dbraw/zinc/29/55/35/141295535.db2.gz HOUHQLZGFCQWPF-KRWDZBQOSA-N 1 2 340.358 3.347 20 5 EGBDLO Cc1[nH+]c(-c2ccncc2)nc(NCCc2ccc([N+](=O)[O-])cc2)c1C ZINC000354678794 141319954 /nfs/dbraw/zinc/31/99/54/141319954.db2.gz VHAXHZRNIFAHFI-UHFFFAOYSA-N 1 2 349.394 3.140 20 5 EGBDLO CC(C)c1nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173474277 144042691 /nfs/dbraw/zinc/04/26/91/144042691.db2.gz MAQQJKMQXGWBTJ-GFCCVEGCSA-N 1 2 347.444 3.256 20 5 EGBDLO CC(C)c1nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cs1 ZINC000173474277 144042692 /nfs/dbraw/zinc/04/26/92/144042692.db2.gz MAQQJKMQXGWBTJ-GFCCVEGCSA-N 1 2 347.444 3.256 20 5 EGBDLO COc1cc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c(F)cc1[N+](=O)[O-] ZINC000351499863 144270046 /nfs/dbraw/zinc/27/00/46/144270046.db2.gz CYVCZPNUTZOHEY-NSHDSACASA-N 1 2 334.351 3.237 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1F ZINC000346997794 156236496 /nfs/dbraw/zinc/23/64/96/156236496.db2.gz OJPNPJPNPPRMDH-OAHLLOKOSA-N 1 2 331.347 3.475 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])cc1F ZINC000346997794 156236498 /nfs/dbraw/zinc/23/64/98/156236498.db2.gz OJPNPJPNPPRMDH-OAHLLOKOSA-N 1 2 331.347 3.475 20 5 EGBDLO CCc1nnc(C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)[nH]1 ZINC000362076378 157011000 /nfs/dbraw/zinc/01/10/00/157011000.db2.gz KULVCCVTOLUYMW-UHFFFAOYSA-N 1 2 349.822 3.308 20 5 EGBDLO CCc1n[nH]c(C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n1 ZINC000362076378 157011007 /nfs/dbraw/zinc/01/10/07/157011007.db2.gz KULVCCVTOLUYMW-UHFFFAOYSA-N 1 2 349.822 3.308 20 5 EGBDLO CCc1nc(C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000362076378 157011011 /nfs/dbraw/zinc/01/10/11/157011011.db2.gz KULVCCVTOLUYMW-UHFFFAOYSA-N 1 2 349.822 3.308 20 5 EGBDLO O=C(CCn1c[nH+]c2cc(F)c(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000336966379 163095316 /nfs/dbraw/zinc/09/53/16/163095316.db2.gz KNVNFUAVEYYCDQ-UHFFFAOYSA-N 1 2 346.293 3.252 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000337141999 163142650 /nfs/dbraw/zinc/14/26/50/163142650.db2.gz NVSHNIKMETWIQQ-UHFFFAOYSA-N 1 2 328.294 3.337 20 5 EGBDLO Cc1noc([C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000345335403 164204653 /nfs/dbraw/zinc/20/46/53/164204653.db2.gz RMTDDFHVAFUQKH-MEDUHNTESA-N 1 2 346.387 3.105 20 5 EGBDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000350246335 165021638 /nfs/dbraw/zinc/02/16/38/165021638.db2.gz IRYNKQAAXDYMRC-SECBINFHSA-N 1 2 325.365 3.188 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)c(Br)c1 ZINC000350246508 165021647 /nfs/dbraw/zinc/02/16/47/165021647.db2.gz JQNRNNVKZGDSAC-UHFFFAOYSA-N 1 2 337.177 3.276 20 5 EGBDLO Cc1c(C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000177389131 265251235 /nfs/dbraw/zinc/25/12/35/265251235.db2.gz RRWWYQCAYFBVAD-KRWDZBQOSA-N 1 2 347.802 3.047 20 5 EGBDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599502 275137860 /nfs/dbraw/zinc/13/78/60/275137860.db2.gz NZJCYVBWBNTGGW-OAHLLOKOSA-N 1 2 341.411 3.040 20 5 EGBDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599502 275137862 /nfs/dbraw/zinc/13/78/62/275137862.db2.gz NZJCYVBWBNTGGW-OAHLLOKOSA-N 1 2 341.411 3.040 20 5 EGBDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000069070533 275150987 /nfs/dbraw/zinc/15/09/87/275150987.db2.gz BNLLPYGKQZWTPC-SNVBAGLBSA-N 1 2 337.763 3.473 20 5 EGBDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000069070533 275150989 /nfs/dbraw/zinc/15/09/89/275150989.db2.gz BNLLPYGKQZWTPC-SNVBAGLBSA-N 1 2 337.763 3.473 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c(F)c1 ZINC000287806134 276159151 /nfs/dbraw/zinc/15/91/51/276159151.db2.gz OUFLIDUZDOPUFJ-AWEZNQCLSA-N 1 2 349.337 3.059 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c(F)c1 ZINC000287806134 276159153 /nfs/dbraw/zinc/15/91/53/276159153.db2.gz OUFLIDUZDOPUFJ-AWEZNQCLSA-N 1 2 349.337 3.059 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000289836600 276403573 /nfs/dbraw/zinc/40/35/73/276403573.db2.gz XDFCJJALAXHFCF-SNVBAGLBSA-N 1 2 349.778 3.383 20 5 EGBDLO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C1 ZINC000103447248 277098037 /nfs/dbraw/zinc/09/80/37/277098037.db2.gz VZFNMALXRAYUHJ-UHFFFAOYSA-N 1 2 345.786 3.340 20 5 EGBDLO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C1 ZINC000103447248 277098038 /nfs/dbraw/zinc/09/80/38/277098038.db2.gz VZFNMALXRAYUHJ-UHFFFAOYSA-N 1 2 345.786 3.340 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000359859432 295255144 /nfs/dbraw/zinc/25/51/44/295255144.db2.gz JUPHASXWVVRDSB-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000359859432 295255145 /nfs/dbraw/zinc/25/51/45/295255145.db2.gz JUPHASXWVVRDSB-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO CN(Cc1noc(C2CC2)n1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413600990 309039180 /nfs/dbraw/zinc/03/91/80/309039180.db2.gz BNMDAXSAAMZYRC-UHFFFAOYSA-N 1 2 325.328 3.040 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000159114410 307868446 /nfs/dbraw/zinc/86/84/46/307868446.db2.gz RDNKLUYHSXAXHS-UHFFFAOYSA-N 1 2 348.428 3.066 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](CF)C3)s2)cc1 ZINC000414465895 309081823 /nfs/dbraw/zinc/08/18/23/309081823.db2.gz AKXKXWNJQCSBOD-AWEZNQCLSA-N 1 2 336.388 3.494 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](CF)C3)s2)cc1 ZINC000414465895 309081824 /nfs/dbraw/zinc/08/18/24/309081824.db2.gz AKXKXWNJQCSBOD-AWEZNQCLSA-N 1 2 336.388 3.494 20 5 EGBDLO CC(C)(CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[N+](=O)[O-] ZINC000294849107 308263753 /nfs/dbraw/zinc/26/37/53/308263753.db2.gz ZDUKSCQDKDVQIA-UHFFFAOYSA-N 1 2 336.779 3.300 20 5 EGBDLO COC(=O)Cc1ccc(NCCCc2[nH+]cccc2C)c([N+](=O)[O-])c1 ZINC000294974301 308277846 /nfs/dbraw/zinc/27/78/46/308277846.db2.gz LIGVBBRYRIASDJ-UHFFFAOYSA-N 1 2 343.383 3.058 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c2ncccc12 ZINC000301771665 308714659 /nfs/dbraw/zinc/71/46/59/308714659.db2.gz LFTDCFBVEKCAGG-ZDUSSCGKSA-N 1 2 335.367 3.229 20 5 EGBDLO C/C=C/C[C@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302248466 308735040 /nfs/dbraw/zinc/73/50/40/308735040.db2.gz LUSBMLGEWWHTJE-RDFMZFSFSA-N 1 2 328.372 3.099 20 5 EGBDLO Cc1ccc([C@@H](CNc2cccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000302497622 308738262 /nfs/dbraw/zinc/73/82/62/308738262.db2.gz NCFRNAAOQYWLLQ-MRXNPFEDSA-N 1 2 345.399 3.290 20 5 EGBDLO O=[N+]([O-])c1cc(F)cc(OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421209502 309316281 /nfs/dbraw/zinc/31/62/81/309316281.db2.gz FYKNRLVZBHPCEZ-UHFFFAOYSA-N 1 2 346.358 3.145 20 5 EGBDLO CCSCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449997182 310098167 /nfs/dbraw/zinc/09/81/67/310098167.db2.gz CRPKYOBFEWOCBZ-GFCCVEGCSA-N 1 2 348.428 3.042 20 5 EGBDLO O=C(N[C@@H]1CC12CCCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450371401 310118549 /nfs/dbraw/zinc/11/85/49/310118549.db2.gz HDHWCYUYXSJIMB-MRXNPFEDSA-N 1 2 340.383 3.233 20 5 EGBDLO C[C@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450836327 310144980 /nfs/dbraw/zinc/14/49/80/310144980.db2.gz YNOCJLFXOJSNNQ-IONNQARKSA-N 1 2 338.165 3.067 20 5 EGBDLO CCCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451862221 310200805 /nfs/dbraw/zinc/20/08/05/310200805.db2.gz GPNSRRTURMYLDJ-CYBMUJFWSA-N 1 2 330.388 3.431 20 5 EGBDLO CCC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000452968188 310251281 /nfs/dbraw/zinc/25/12/81/310251281.db2.gz BNYOJWREFUGETL-UHFFFAOYSA-N 1 2 328.372 3.233 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000456344944 310399998 /nfs/dbraw/zinc/39/99/98/310399998.db2.gz GDLBBCPJVSYXGF-SNVBAGLBSA-N 1 2 334.401 3.024 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNc1c3ccccc3ncc1[N+](=O)[O-])CCC2 ZINC000488103986 311051369 /nfs/dbraw/zinc/05/13/69/311051369.db2.gz ZZCYDBYPMPQJLE-ZDUSSCGKSA-N 1 2 337.383 3.059 20 5 EGBDLO COCCC1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000493736581 311422844 /nfs/dbraw/zinc/42/28/44/311422844.db2.gz KWCRJZFATBHGIW-UHFFFAOYSA-N 1 2 342.399 3.011 20 5 EGBDLO COC(=O)[C@@H](c1ccccc1C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511111625 312155138 /nfs/dbraw/zinc/15/51/38/312155138.db2.gz WGKDTEPWVHQXJL-GOSISDBHSA-N 1 2 342.395 3.292 20 5 EGBDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511111625 312155140 /nfs/dbraw/zinc/15/51/40/312155140.db2.gz WGKDTEPWVHQXJL-GOSISDBHSA-N 1 2 342.395 3.292 20 5 EGBDLO Cc1cc(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000535774156 314072113 /nfs/dbraw/zinc/07/21/13/314072113.db2.gz PFMLSHDMWAWBKG-CYBMUJFWSA-N 1 2 328.372 3.220 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000536623848 314131933 /nfs/dbraw/zinc/13/19/33/314131933.db2.gz DZDJINJXRJJQMX-UHFFFAOYSA-N 1 2 344.440 3.251 20 5 EGBDLO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000185181703 323690764 /nfs/dbraw/zinc/69/07/64/323690764.db2.gz WZIUDFRGAOIWCA-NSHDSACASA-N 1 2 334.376 3.005 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1n[nH]cc1Br ZINC000531969373 459009303 /nfs/dbraw/zinc/00/93/03/459009303.db2.gz OELJYOWCFSXUAR-SECBINFHSA-N 1 2 339.193 3.240 20 5 EGBDLO Cc1[nH]c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000011542184 453323069 /nfs/dbraw/zinc/32/30/69/453323069.db2.gz GUTAMWCEDFXWRL-UHFFFAOYSA-N 1 2 339.355 3.220 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000021924463 453684774 /nfs/dbraw/zinc/68/47/74/453684774.db2.gz RUYSIIWYIBQLLW-UHFFFAOYSA-N 1 2 333.775 3.319 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000021924463 453684775 /nfs/dbraw/zinc/68/47/75/453684775.db2.gz RUYSIIWYIBQLLW-UHFFFAOYSA-N 1 2 333.775 3.319 20 5 EGBDLO CCc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346224 453797585 /nfs/dbraw/zinc/79/75/85/453797585.db2.gz NGASLHGRNOSUMU-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO CCc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346224 453797587 /nfs/dbraw/zinc/79/75/87/453797587.db2.gz NGASLHGRNOSUMU-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO Cc1cc(NC[C@@](C)(O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000075050906 453855459 /nfs/dbraw/zinc/85/54/59/453855459.db2.gz MSMTWNVSJMNYJR-QGZVFWFLSA-N 1 2 330.388 3.179 20 5 EGBDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053125015 453860056 /nfs/dbraw/zinc/86/00/56/453860056.db2.gz HPIYOEXBNZCBHG-NSHDSACASA-N 1 2 331.347 3.026 20 5 EGBDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053125015 453860059 /nfs/dbraw/zinc/86/00/59/453860059.db2.gz HPIYOEXBNZCBHG-NSHDSACASA-N 1 2 331.347 3.026 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066847681 453879702 /nfs/dbraw/zinc/87/97/02/453879702.db2.gz AISKMDDPSDZSIQ-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066847681 453879705 /nfs/dbraw/zinc/87/97/05/453879705.db2.gz AISKMDDPSDZSIQ-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000053779768 453896470 /nfs/dbraw/zinc/89/64/70/453896470.db2.gz VXNODTXNCMFUQO-UHFFFAOYSA-N 1 2 342.298 3.430 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1OC(F)F ZINC000053779768 453896475 /nfs/dbraw/zinc/89/64/75/453896475.db2.gz VXNODTXNCMFUQO-UHFFFAOYSA-N 1 2 342.298 3.430 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000067182689 453909868 /nfs/dbraw/zinc/90/98/68/453909868.db2.gz IAXRSRQLTZEHGS-UHFFFAOYSA-N 1 2 343.343 3.110 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000054393136 453927968 /nfs/dbraw/zinc/92/79/68/453927968.db2.gz XUXYCRODCDQMMN-UHFFFAOYSA-N 1 2 331.397 3.173 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000054393136 453927971 /nfs/dbraw/zinc/92/79/71/453927971.db2.gz XUXYCRODCDQMMN-UHFFFAOYSA-N 1 2 331.397 3.173 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067803660 453967666 /nfs/dbraw/zinc/96/76/66/453967666.db2.gz UAGWYJMRTYMSIM-GOSISDBHSA-N 1 2 325.412 3.349 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067803660 453967669 /nfs/dbraw/zinc/96/76/69/453967669.db2.gz UAGWYJMRTYMSIM-GOSISDBHSA-N 1 2 325.412 3.349 20 5 EGBDLO Cc1cc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000057828470 454150266 /nfs/dbraw/zinc/15/02/66/454150266.db2.gz PCGJSUCXHFQADQ-UHFFFAOYSA-N 1 2 325.328 3.269 20 5 EGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000058145256 454164670 /nfs/dbraw/zinc/16/46/70/454164670.db2.gz HTLSKMUHOPZEQU-AWEZNQCLSA-N 1 2 346.412 3.164 20 5 EGBDLO CCc1cc(NC[C@@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078580899 454279923 /nfs/dbraw/zinc/27/99/23/454279923.db2.gz JYTJIVRBHITCIY-LBPRGKRZSA-N 1 2 330.388 3.045 20 5 EGBDLO Cc1cc(NCCCn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091424702 454432981 /nfs/dbraw/zinc/43/29/81/454432981.db2.gz SNYWLJJEFWFPFN-UHFFFAOYSA-N 1 2 338.371 3.059 20 5 EGBDLO Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(C)[nH+]1 ZINC000121562989 454451927 /nfs/dbraw/zinc/45/19/27/454451927.db2.gz BNGONBBQNVDJCU-UHFFFAOYSA-N 1 2 337.339 3.045 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000121902022 454492644 /nfs/dbraw/zinc/49/26/44/454492644.db2.gz YLGSYKDCIFUQEH-LJQANCHMSA-N 1 2 342.395 3.351 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000121902022 454492650 /nfs/dbraw/zinc/49/26/50/454492650.db2.gz YLGSYKDCIFUQEH-LJQANCHMSA-N 1 2 342.395 3.351 20 5 EGBDLO CCOc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)ccc1[N+](=O)[O-] ZINC000080767012 454631732 /nfs/dbraw/zinc/63/17/32/454631732.db2.gz MVPMIFPOFMWQDQ-UHFFFAOYSA-N 1 2 339.355 3.186 20 5 EGBDLO Cc1cc(N(C)Cc2[nH+]ccn2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000074767799 454632591 /nfs/dbraw/zinc/63/25/91/454632591.db2.gz YSPIBERJONNSAV-UHFFFAOYSA-N 1 2 337.383 3.179 20 5 EGBDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135230839 454650162 /nfs/dbraw/zinc/65/01/62/454650162.db2.gz LTCVEQHCEBYJTR-GJZGRUSLSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135230839 454650168 /nfs/dbraw/zinc/65/01/68/454650168.db2.gz LTCVEQHCEBYJTR-GJZGRUSLSA-N 1 2 345.443 3.064 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000105798033 454658022 /nfs/dbraw/zinc/65/80/22/454658022.db2.gz ZXCYWGZFIDZXAP-SFHVURJKSA-N 1 2 345.374 3.219 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000153644024 454816437 /nfs/dbraw/zinc/81/64/37/454816437.db2.gz JHLNSHYCNCRVLW-UHFFFAOYSA-N 1 2 348.790 3.219 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000154083713 454863891 /nfs/dbraw/zinc/86/38/91/454863891.db2.gz ZJNAIWAUFSDJBD-OAHLLOKOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000154083713 454863896 /nfs/dbraw/zinc/86/38/96/454863896.db2.gz ZJNAIWAUFSDJBD-OAHLLOKOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cn1ncnc1CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000112685061 454896096 /nfs/dbraw/zinc/89/60/96/454896096.db2.gz JVLMRRBPWHIHRY-UHFFFAOYSA-N 1 2 346.419 3.457 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cccnc1 ZINC000150881016 454907710 /nfs/dbraw/zinc/90/77/10/454907710.db2.gz AUDDQZZGQJEYDY-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cccnc1 ZINC000150881016 454907711 /nfs/dbraw/zinc/90/77/11/454907711.db2.gz AUDDQZZGQJEYDY-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO CCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000155475914 455006470 /nfs/dbraw/zinc/00/64/70/455006470.db2.gz OOIWJEIPQZLIBF-CYBMUJFWSA-N 1 2 330.331 3.197 20 5 EGBDLO CCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000155475914 455006473 /nfs/dbraw/zinc/00/64/73/455006473.db2.gz OOIWJEIPQZLIBF-CYBMUJFWSA-N 1 2 330.331 3.197 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000116264155 455049613 /nfs/dbraw/zinc/04/96/13/455049613.db2.gz MGNKLQYCSBCVRQ-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000246105874 455428070 /nfs/dbraw/zinc/42/80/70/455428070.db2.gz JMPTZJZPVFLSOR-QZTJIDSGSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000246105874 455428072 /nfs/dbraw/zinc/42/80/72/455428072.db2.gz JMPTZJZPVFLSOR-QZTJIDSGSA-N 1 2 334.416 3.098 20 5 EGBDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000184787989 455448289 /nfs/dbraw/zinc/44/82/89/455448289.db2.gz BCHNRENMBPUYFS-HNNXBMFYSA-N 1 2 334.372 3.236 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000601023193 460678920 /nfs/dbraw/zinc/67/89/20/460678920.db2.gz ZCFLGOBAEOAWLK-UHFFFAOYSA-N 1 2 347.346 3.027 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000277620539 455616451 /nfs/dbraw/zinc/61/64/51/455616451.db2.gz RKRMUKTYBYAVJI-UHFFFAOYSA-N 1 2 344.415 3.215 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])c(C(C)=O)c2)c1C ZINC000283961841 455616984 /nfs/dbraw/zinc/61/69/84/455616984.db2.gz YUAPTZMIBHXTHU-UHFFFAOYSA-N 1 2 343.383 3.454 20 5 EGBDLO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000271424488 455632321 /nfs/dbraw/zinc/63/23/21/455632321.db2.gz ZZSAZOUVUBARAC-HNNXBMFYSA-N 1 2 341.415 3.278 20 5 EGBDLO Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000271424488 455632327 /nfs/dbraw/zinc/63/23/27/455632327.db2.gz ZZSAZOUVUBARAC-HNNXBMFYSA-N 1 2 341.415 3.278 20 5 EGBDLO Nc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000192780620 455691314 /nfs/dbraw/zinc/69/13/14/455691314.db2.gz MYABGFMKKVOXMR-UHFFFAOYSA-N 1 2 327.388 3.174 20 5 EGBDLO CSc1cccc(C(=O)Nc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000186137042 455701729 /nfs/dbraw/zinc/70/17/29/455701729.db2.gz UVBSCKSTDOYXPT-UHFFFAOYSA-N 1 2 332.385 3.030 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1noc(-c2ccsc2)n1 ZINC000285319364 455822396 /nfs/dbraw/zinc/82/23/96/455822396.db2.gz MVMKHNFQFHKIDR-UHFFFAOYSA-N 1 2 344.396 3.381 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1noc(-c2ccsc2)n1 ZINC000285319364 455822402 /nfs/dbraw/zinc/82/24/02/455822402.db2.gz MVMKHNFQFHKIDR-UHFFFAOYSA-N 1 2 344.396 3.381 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278343780 455824481 /nfs/dbraw/zinc/82/44/81/455824481.db2.gz NPPUSNFXCYTEAY-UHFFFAOYSA-N 1 2 344.415 3.215 20 5 EGBDLO CC(C)c1nnc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000296486123 455951725 /nfs/dbraw/zinc/95/17/25/455951725.db2.gz OKFSQXZTLYGUJJ-CQSZACIVSA-N 1 2 329.404 3.349 20 5 EGBDLO CC(C)CCOCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272520477 455980318 /nfs/dbraw/zinc/98/03/18/455980318.db2.gz LBOOUPJLMILSCK-QGZVFWFLSA-N 1 2 346.431 3.070 20 5 EGBDLO O=[N+]([O-])c1ccc(CN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)cc1 ZINC000188171107 456013706 /nfs/dbraw/zinc/01/37/06/456013706.db2.gz WWOARYGMAYHRCI-MRXNPFEDSA-N 1 2 326.331 3.336 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000188171107 456013711 /nfs/dbraw/zinc/01/37/11/456013711.db2.gz WWOARYGMAYHRCI-MRXNPFEDSA-N 1 2 326.331 3.336 20 5 EGBDLO Cc1cc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-] ZINC000301312523 456087142 /nfs/dbraw/zinc/08/71/42/456087142.db2.gz IWLTURAKVOGWSE-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000281100433 456133487 /nfs/dbraw/zinc/13/34/87/456133487.db2.gz AKUQQOKDWCOUFE-ZDUSSCGKSA-N 1 2 330.331 3.197 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000281100433 456133493 /nfs/dbraw/zinc/13/34/93/456133493.db2.gz AKUQQOKDWCOUFE-ZDUSSCGKSA-N 1 2 330.331 3.197 20 5 EGBDLO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886990 456168471 /nfs/dbraw/zinc/16/84/71/456168471.db2.gz SBUGDJXLRAFDHQ-GOEBONIOSA-N 1 2 338.379 3.132 20 5 EGBDLO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886990 456168476 /nfs/dbraw/zinc/16/84/76/456168476.db2.gz SBUGDJXLRAFDHQ-GOEBONIOSA-N 1 2 338.379 3.132 20 5 EGBDLO CCOc1cccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000302116042 456291742 /nfs/dbraw/zinc/29/17/42/456291742.db2.gz ROCGFMNDNFXEGW-AWEZNQCLSA-N 1 2 329.356 3.046 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1F ZINC000282505913 456534696 /nfs/dbraw/zinc/53/46/96/456534696.db2.gz NZQGCBDOALIAQJ-CYBMUJFWSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1F ZINC000282505913 456534701 /nfs/dbraw/zinc/53/47/01/456534701.db2.gz NZQGCBDOALIAQJ-CYBMUJFWSA-N 1 2 349.337 3.311 20 5 EGBDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000291507539 456664020 /nfs/dbraw/zinc/66/40/20/456664020.db2.gz IAWUPOBANMXUIE-SNVBAGLBSA-N 1 2 330.331 3.089 20 5 EGBDLO COc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000291507539 456664025 /nfs/dbraw/zinc/66/40/25/456664025.db2.gz IAWUPOBANMXUIE-SNVBAGLBSA-N 1 2 330.331 3.089 20 5 EGBDLO Cc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000326557383 456696112 /nfs/dbraw/zinc/69/61/12/456696112.db2.gz QLMKEOGVPCJRNA-UHFFFAOYSA-N 1 2 329.375 3.365 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000348507128 456720416 /nfs/dbraw/zinc/72/04/16/456720416.db2.gz GXIXPHNLBFOKCS-UHFFFAOYSA-N 1 2 331.347 3.172 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000341740829 456923036 /nfs/dbraw/zinc/92/30/36/456923036.db2.gz ILLLSEROWFIKMB-KRWDZBQOSA-N 1 2 345.374 3.219 20 5 EGBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000339073152 456926886 /nfs/dbraw/zinc/92/68/86/456926886.db2.gz VRPFTYIWFAPBAS-ZDUSSCGKSA-N 1 2 338.367 3.337 20 5 EGBDLO COCCOC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000354188250 457118550 /nfs/dbraw/zinc/11/85/50/457118550.db2.gz FGSPEHACZBCFJY-UHFFFAOYSA-N 1 2 348.424 3.171 20 5 EGBDLO Cc1ccc(Cc2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)c[nH+]1 ZINC000356146837 457486525 /nfs/dbraw/zinc/48/65/25/457486525.db2.gz JUPXGJPDAQRVLA-UHFFFAOYSA-N 1 2 349.350 3.344 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000370063502 457524974 /nfs/dbraw/zinc/52/49/74/457524974.db2.gz RALNITIPKSKCMT-LLVKDONJSA-N 1 2 348.790 3.002 20 5 EGBDLO COc1cccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000352737924 457570232 /nfs/dbraw/zinc/57/02/32/457570232.db2.gz GXLSTQJUZGXLOJ-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CCCc1csc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000426402649 457823477 /nfs/dbraw/zinc/82/34/77/457823477.db2.gz SEBIAHKUAKOAMW-LBPRGKRZSA-N 1 2 347.444 3.085 20 5 EGBDLO CCCc1csc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000426402649 457823491 /nfs/dbraw/zinc/82/34/91/457823491.db2.gz SEBIAHKUAKOAMW-LBPRGKRZSA-N 1 2 347.444 3.085 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371424470 457923367 /nfs/dbraw/zinc/92/33/67/457923367.db2.gz HQSLNWWTJDQAHS-HNNXBMFYSA-N 1 2 330.388 3.442 20 5 EGBDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000411942928 458018107 /nfs/dbraw/zinc/01/81/07/458018107.db2.gz MESRYEOGJQGCEX-UHFFFAOYSA-N 1 2 326.352 3.192 20 5 EGBDLO CC(=O)c1ccc2c(c1)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000411942928 458018112 /nfs/dbraw/zinc/01/81/12/458018112.db2.gz MESRYEOGJQGCEX-UHFFFAOYSA-N 1 2 326.352 3.192 20 5 EGBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000375931006 458129468 /nfs/dbraw/zinc/12/94/68/458129468.db2.gz JSYQKMDONYCLNR-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000375931006 458129473 /nfs/dbraw/zinc/12/94/73/458129473.db2.gz JSYQKMDONYCLNR-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO Cc1cc[nH+]c(C)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000362400745 458153796 /nfs/dbraw/zinc/15/37/96/458153796.db2.gz GEQQKLFGOYOBOD-UHFFFAOYSA-N 1 2 340.383 3.459 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(OCCCOc3ccccc3)C2)cc1 ZINC000358741545 458184657 /nfs/dbraw/zinc/18/46/57/458184657.db2.gz AUPYRCYDRXUBDX-UHFFFAOYSA-N 1 2 342.395 3.265 20 5 EGBDLO COc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000446832112 458233338 /nfs/dbraw/zinc/23/33/38/458233338.db2.gz MCMAALGGBAZGAU-KRWDZBQOSA-N 1 2 338.367 3.206 20 5 EGBDLO COc1ccc(CN[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000446832112 458233344 /nfs/dbraw/zinc/23/33/44/458233344.db2.gz MCMAALGGBAZGAU-KRWDZBQOSA-N 1 2 338.367 3.206 20 5 EGBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000412702657 458278119 /nfs/dbraw/zinc/27/81/19/458278119.db2.gz WUWXDJQASIOLIH-ZDUSSCGKSA-N 1 2 345.424 3.003 20 5 EGBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000412702657 458278123 /nfs/dbraw/zinc/27/81/23/458278123.db2.gz WUWXDJQASIOLIH-ZDUSSCGKSA-N 1 2 345.424 3.003 20 5 EGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccn2cc[nH+]c2c1 ZINC000436400087 458299374 /nfs/dbraw/zinc/29/93/74/458299374.db2.gz LJCMCJZPZBMKAC-UHFFFAOYSA-N 1 2 337.261 3.268 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CC=CCC1 ZINC000447806453 458344625 /nfs/dbraw/zinc/34/46/25/458344625.db2.gz MXHPHQNLZVXYOZ-HNNXBMFYSA-N 1 2 331.416 3.195 20 5 EGBDLO Cc1cc(N[C@H](C)C[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461770991 458572725 /nfs/dbraw/zinc/57/27/25/458572725.db2.gz CEBQENXVVMYCQT-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000470218120 458624830 /nfs/dbraw/zinc/62/48/30/458624830.db2.gz LUIQOCJVSATLNX-XKSYAXFZSA-N 1 2 346.427 3.126 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000470218120 458624837 /nfs/dbraw/zinc/62/48/37/458624837.db2.gz LUIQOCJVSATLNX-XKSYAXFZSA-N 1 2 346.427 3.126 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2cccc(F)c2)c(Cl)c1 ZINC000494282464 458654808 /nfs/dbraw/zinc/65/48/08/458654808.db2.gz NZJRYUQLRJKWFU-UHFFFAOYSA-N 1 2 338.766 3.382 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2cccc(F)c2)c(Cl)c1 ZINC000494282464 458654813 /nfs/dbraw/zinc/65/48/13/458654813.db2.gz NZJRYUQLRJKWFU-UHFFFAOYSA-N 1 2 338.766 3.382 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456400994 458664528 /nfs/dbraw/zinc/66/45/28/458664528.db2.gz DNIFUKPUXUYJNF-DGCLKSJQSA-N 1 2 328.372 3.152 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456412160 458669390 /nfs/dbraw/zinc/66/93/90/458669390.db2.gz HDDSMRJOTLBAAC-BJJXKVORSA-N 1 2 342.399 3.182 20 5 EGBDLO Cc1nn(C)c(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)c1[N+](=O)[O-] ZINC000503274473 458700219 /nfs/dbraw/zinc/70/02/19/458700219.db2.gz IAZJLIXULCUCPZ-GFCCVEGCSA-N 1 2 344.419 3.463 20 5 EGBDLO Cc1cc(C)c(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000456852908 458800422 /nfs/dbraw/zinc/80/04/22/458800422.db2.gz XPRMZINMQNJRKS-UHFFFAOYSA-N 1 2 327.384 3.201 20 5 EGBDLO CCCCN(CC)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441243816 458905794 /nfs/dbraw/zinc/90/57/94/458905794.db2.gz JMQBNSXVXFQWBP-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CCCCN(CC)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441243816 458905799 /nfs/dbraw/zinc/90/57/99/458905799.db2.gz JMQBNSXVXFQWBP-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CC[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1[nH]cc[nH+]1 ZINC000442804374 459039984 /nfs/dbraw/zinc/03/99/84/459039984.db2.gz ZEXZDYBSWJUPCC-HNNXBMFYSA-N 1 2 346.390 3.286 20 5 EGBDLO O=[N+]([O-])c1cccc(OCCOc2ccccc2-n2cc[nH+]c2)c1 ZINC000557952845 459121309 /nfs/dbraw/zinc/12/13/09/459121309.db2.gz SJQGNGDKOUXQGT-UHFFFAOYSA-N 1 2 325.324 3.238 20 5 EGBDLO Cc1cc(C(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1C ZINC000532746956 459138880 /nfs/dbraw/zinc/13/88/80/459138880.db2.gz NBPMNCRGBKOTND-UHFFFAOYSA-N 1 2 341.411 3.397 20 5 EGBDLO Cc1cc(C(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1C ZINC000532746956 459138884 /nfs/dbraw/zinc/13/88/84/459138884.db2.gz NBPMNCRGBKOTND-UHFFFAOYSA-N 1 2 341.411 3.397 20 5 EGBDLO CC(C)C(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000590685468 459181058 /nfs/dbraw/zinc/18/10/58/459181058.db2.gz MXLUAVHJCRBPNI-UHFFFAOYSA-N 1 2 330.388 3.191 20 5 EGBDLO Cc1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c1[N+](=O)[O-] ZINC000595522367 459333473 /nfs/dbraw/zinc/33/34/73/459333473.db2.gz AQLLGDBNWVZLCV-QGZVFWFLSA-N 1 2 345.399 3.275 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915716 459529718 /nfs/dbraw/zinc/52/97/18/459529718.db2.gz QHARYUZTWZLHJB-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915716 459529724 /nfs/dbraw/zinc/52/97/24/459529724.db2.gz QHARYUZTWZLHJB-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)N(Cc1cn3cc(Cl)ccc3[nH+]1)CC2 ZINC000544480947 459763624 /nfs/dbraw/zinc/76/36/24/459763624.db2.gz BKNSKPCCSAAAOI-UHFFFAOYSA-N 1 2 328.759 3.459 20 5 EGBDLO COc1cccc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c1[N+](=O)[O-] ZINC000584757989 459796399 /nfs/dbraw/zinc/79/63/99/459796399.db2.gz IEWUCWFUHRVZDH-UHFFFAOYSA-N 1 2 340.339 3.051 20 5 EGBDLO Cc1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)no1 ZINC000602520129 459980317 /nfs/dbraw/zinc/98/03/17/459980317.db2.gz FEYBXXLQIAZQMO-UHFFFAOYSA-N 1 2 332.179 3.005 20 5 EGBDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000609895649 460036850 /nfs/dbraw/zinc/03/68/50/460036850.db2.gz MUPBEZMNBWAQHV-KRWDZBQOSA-N 1 2 330.384 3.366 20 5 EGBDLO CCc1ccc([C@@H]2COCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000609895649 460036857 /nfs/dbraw/zinc/03/68/57/460036857.db2.gz MUPBEZMNBWAQHV-KRWDZBQOSA-N 1 2 330.384 3.366 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ccn(C)n1 ZINC000602686276 460065415 /nfs/dbraw/zinc/06/54/15/460065415.db2.gz BBAWQIMPGKTZOG-SSDOTTSWSA-N 1 2 345.222 3.003 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3nc4c(s3)CCCC4)nc2c1 ZINC000618618726 460088874 /nfs/dbraw/zinc/08/88/74/460088874.db2.gz WHBJRKVKSNPTTD-UHFFFAOYSA-N 1 2 343.412 3.096 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610390902 460140153 /nfs/dbraw/zinc/14/01/53/460140153.db2.gz PLSKRNLVVZBVSE-LBPRGKRZSA-N 1 2 326.352 3.458 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610390902 460140160 /nfs/dbraw/zinc/14/01/60/460140160.db2.gz PLSKRNLVVZBVSE-LBPRGKRZSA-N 1 2 326.352 3.458 20 5 EGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610729528 460227882 /nfs/dbraw/zinc/22/78/82/460227882.db2.gz IYGQBEOOLOCQNX-HNNXBMFYSA-N 1 2 341.371 3.115 20 5 EGBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610729528 460227887 /nfs/dbraw/zinc/22/78/87/460227887.db2.gz IYGQBEOOLOCQNX-HNNXBMFYSA-N 1 2 341.371 3.115 20 5 EGBDLO CCN(C[C@@H]1CCOC1)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611133081 460295016 /nfs/dbraw/zinc/29/50/16/460295016.db2.gz ZTWFSQWGFPMIII-AWEZNQCLSA-N 1 2 342.399 3.223 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccccn1)OCCO2 ZINC000611254937 460318210 /nfs/dbraw/zinc/31/82/10/460318210.db2.gz WUHGCEOTRICAHP-OAHLLOKOSA-N 1 2 341.367 3.098 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccn1)OCCO2 ZINC000611254937 460318211 /nfs/dbraw/zinc/31/82/11/460318211.db2.gz WUHGCEOTRICAHP-OAHLLOKOSA-N 1 2 341.367 3.098 20 5 EGBDLO C[C@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000611383162 460348976 /nfs/dbraw/zinc/34/89/76/460348976.db2.gz AICIFHDGBLRUJP-NSHDSACASA-N 1 2 343.412 3.303 20 5 EGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611554301 460397488 /nfs/dbraw/zinc/39/74/88/460397488.db2.gz KREPLPBVAWSLGD-GHMZBOCLSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611554301 460397493 /nfs/dbraw/zinc/39/74/93/460397493.db2.gz KREPLPBVAWSLGD-GHMZBOCLSA-N 1 2 345.321 3.196 20 5 EGBDLO Cc1ccncc1[C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000611938919 460492313 /nfs/dbraw/zinc/49/23/13/460492313.db2.gz BXRGSZAHHUZOSE-GFCCVEGCSA-N 1 2 339.355 3.199 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000181821008 534226995 /nfs/dbraw/zinc/22/69/95/534226995.db2.gz KTRCZANQAJJCBW-NSHDSACASA-N 1 2 328.328 3.397 20 5 EGBDLO Cc1cccn2cc(CC(=O)Oc3cc([N+](=O)[O-])ccc3C)[nH+]c12 ZINC000726755051 574569608 /nfs/dbraw/zinc/56/96/08/574569608.db2.gz TVYNAMBAUKHZSC-UHFFFAOYSA-N 1 2 325.324 3.007 20 5 EGBDLO Cc1cccn2cc(COC(=O)c3ccc([N+](=O)[O-])c(F)c3)[nH+]c12 ZINC000731517444 575078977 /nfs/dbraw/zinc/07/89/77/575078977.db2.gz CCYGMXYYTXOXGZ-UHFFFAOYSA-N 1 2 329.287 3.047 20 5 EGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000732414769 575267820 /nfs/dbraw/zinc/26/78/20/575267820.db2.gz VXNVTEXOKRZNIB-LBPRGKRZSA-N 1 2 349.778 3.314 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2n1C ZINC000742945640 576798120 /nfs/dbraw/zinc/79/81/20/576798120.db2.gz KEEKIIOKFUVGGL-UHFFFAOYSA-N 1 2 328.303 3.181 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000742945645 576798176 /nfs/dbraw/zinc/79/81/76/576798176.db2.gz KGYHHVQLMFSGCU-YHYXMXQVSA-N 1 2 336.351 3.442 20 5 EGBDLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1 ZINC000125573022 1293511003 /nfs/dbraw/zinc/51/10/03/1293511003.db2.gz QFEXEOOAZGDHPT-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cc(CSCCO)cc[nH+]1 ZINC000871862673 1296576086 /nfs/dbraw/zinc/57/60/86/1296576086.db2.gz IXDVAGNFMQRNBN-UHFFFAOYSA-N 1 2 347.440 3.444 20 5 EGBDLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)[nH+]c1C ZINC000749578687 1299239845 /nfs/dbraw/zinc/23/98/45/1299239845.db2.gz FDUWAZWLRXKLLJ-UHFFFAOYSA-N 1 2 325.328 3.182 20 5 EGBDLO Cc1ccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(N(C)C)[nH+]1 ZINC000750393237 1299387469 /nfs/dbraw/zinc/38/74/69/1299387469.db2.gz YGIYTPQDWOTXJL-LBPRGKRZSA-N 1 2 343.387 3.247 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000760523905 1301288544 /nfs/dbraw/zinc/28/85/44/1301288544.db2.gz CNNCVGJDTMCEOR-GFCCVEGCSA-N 1 2 338.314 3.234 20 5 EGBDLO O=C(C[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-])c1cccs1 ZINC000886073445 1303347584 /nfs/dbraw/zinc/34/75/84/1303347584.db2.gz VUBGJFGBUDXSDK-CYBMUJFWSA-N 1 2 331.397 3.289 20 5 EGBDLO O=C(C[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-])c1cccs1 ZINC000886073445 1303347590 /nfs/dbraw/zinc/34/75/90/1303347590.db2.gz VUBGJFGBUDXSDK-CYBMUJFWSA-N 1 2 331.397 3.289 20 5 EGBDLO COc1ccc(CC(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000782320320 1304953411 /nfs/dbraw/zinc/95/34/11/1304953411.db2.gz VIAQYNGUUNVLIB-UHFFFAOYSA-N 1 2 349.774 3.498 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000891631618 1305118887 /nfs/dbraw/zinc/11/88/87/1305118887.db2.gz YJUSCQXRHSCZID-AWEZNQCLSA-N 1 2 329.356 3.041 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000891631618 1305118891 /nfs/dbraw/zinc/11/88/91/1305118891.db2.gz YJUSCQXRHSCZID-AWEZNQCLSA-N 1 2 329.356 3.041 20 5 EGBDLO O=C(OCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000783910036 1305161245 /nfs/dbraw/zinc/16/12/45/1305161245.db2.gz JTWXKKCONMEKII-UHFFFAOYSA-N 1 2 343.261 3.057 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1[N+](=O)[O-] ZINC000894593476 1308969256 /nfs/dbraw/zinc/96/92/56/1308969256.db2.gz TUEHIMJRMHBNOA-GFCCVEGCSA-N 1 2 344.367 3.092 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1[N+](=O)[O-] ZINC000894593476 1308969262 /nfs/dbraw/zinc/96/92/62/1308969262.db2.gz TUEHIMJRMHBNOA-GFCCVEGCSA-N 1 2 344.367 3.092 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000895348795 1309293236 /nfs/dbraw/zinc/29/32/36/1309293236.db2.gz DYHGWXISNDCZFN-UHFFFAOYSA-N 1 2 328.372 3.079 20 5 EGBDLO CCOc1cc(N2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000895349654 1309293954 /nfs/dbraw/zinc/29/39/54/1309293954.db2.gz AAYTWYYLPNMZIY-UHFFFAOYSA-N 1 2 342.399 3.469 20 5 EGBDLO COc1cc(N2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000895353873 1309297295 /nfs/dbraw/zinc/29/72/95/1309297295.db2.gz WRAIUQIUVKDRBT-UHFFFAOYSA-N 1 2 328.372 3.079 20 5 EGBDLO C[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000895667733 1309456275 /nfs/dbraw/zinc/45/62/75/1309456275.db2.gz UFEROZCOELKLHY-GFCCVEGCSA-N 1 2 345.428 3.111 20 5 EGBDLO C[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000895667733 1309456277 /nfs/dbraw/zinc/45/62/77/1309456277.db2.gz UFEROZCOELKLHY-GFCCVEGCSA-N 1 2 345.428 3.111 20 5 EGBDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795672870 1309803994 /nfs/dbraw/zinc/80/39/94/1309803994.db2.gz BRAUBXDKNXCLJO-BBRMVZONSA-N 1 2 330.388 3.231 20 5 EGBDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795672870 1309803998 /nfs/dbraw/zinc/80/39/98/1309803998.db2.gz BRAUBXDKNXCLJO-BBRMVZONSA-N 1 2 330.388 3.231 20 5 EGBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccccc1-n1cc[nH+]c1 ZINC000804592771 1317265667 /nfs/dbraw/zinc/26/56/67/1317265667.db2.gz ILNYTDZKTIFXBR-UHFFFAOYSA-N 1 2 339.311 3.301 20 5 EGBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1C ZINC000809985937 1317930617 /nfs/dbraw/zinc/93/06/17/1317930617.db2.gz XAOPGPLLHSVRCD-KCJUWKMLSA-N 1 2 347.198 3.285 20 5 EGBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1C ZINC000809985937 1317930620 /nfs/dbraw/zinc/93/06/20/1317930620.db2.gz XAOPGPLLHSVRCD-KCJUWKMLSA-N 1 2 347.198 3.285 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000817523253 1319386652 /nfs/dbraw/zinc/38/66/52/1319386652.db2.gz IHGSCVKAXKSNCN-MRXNPFEDSA-N 1 2 344.415 3.253 20 5 EGBDLO CC(C)(C)OCCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102325 1320728040 /nfs/dbraw/zinc/72/80/40/1320728040.db2.gz OOHFXIWZQPEGAC-UHFFFAOYSA-N 1 2 347.371 3.143 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927078074 1327847755 /nfs/dbraw/zinc/84/77/55/1327847755.db2.gz RTSOOSWNYMRAMV-UHFFFAOYSA-N 1 2 340.383 3.015 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000927089329 1327855134 /nfs/dbraw/zinc/85/51/34/1327855134.db2.gz MIUDLVJYWUXYHU-UHFFFAOYSA-N 1 2 340.383 3.015 20 5 EGBDLO CCC[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001120791004 1371760658 /nfs/dbraw/zinc/76/06/58/1371760658.db2.gz LWSIVUAHIOBBET-AWEZNQCLSA-N 1 2 328.372 3.185 20 5 EGBDLO Cc1nccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1[N+](=O)[O-] ZINC001214099581 1373008617 /nfs/dbraw/zinc/00/86/17/1373008617.db2.gz MNOUBGZRVMRHEO-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO CC/C=C(/C)C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001226369994 1375247722 /nfs/dbraw/zinc/24/77/22/1375247722.db2.gz VKDCJIMKTRZMSQ-QCDXTXTGSA-N 1 2 337.445 3.093 20 5 EGBDLO Cn1c[nH+]c2c1CCN(Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232226774 1376420166 /nfs/dbraw/zinc/42/01/66/1376420166.db2.gz YEWJDYUZWQVAAX-UHFFFAOYSA-N 1 2 329.407 3.075 20 5 EGBDLO CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264196348 246167966 /nfs/dbraw/zinc/16/79/66/246167966.db2.gz GWCWKZXTKKKAHH-INIZCTEOSA-N 1 2 342.399 3.431 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)cc1OC(F)F ZINC000266426948 248295368 /nfs/dbraw/zinc/29/53/68/248295368.db2.gz SWNUXLIFDCFQGK-UHFFFAOYSA-N 1 2 338.314 3.234 20 5 EGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000267393016 251015984 /nfs/dbraw/zinc/01/59/84/251015984.db2.gz HRRNCLIYQDWDPI-GFCCVEGCSA-N 1 2 341.433 3.098 20 5 EGBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000267393016 251015987 /nfs/dbraw/zinc/01/59/87/251015987.db2.gz HRRNCLIYQDWDPI-GFCCVEGCSA-N 1 2 341.433 3.098 20 5 EGBDLO Cc1cc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc[nH+]1 ZINC000119576619 221352198 /nfs/dbraw/zinc/35/21/98/221352198.db2.gz REXMHKIVFIZGOZ-UHFFFAOYSA-N 1 2 326.356 3.495 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000353446808 141297808 /nfs/dbraw/zinc/29/78/08/141297808.db2.gz LBELXUCCUWPEMT-QGZVFWFLSA-N 1 2 340.358 3.347 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184235146 144089438 /nfs/dbraw/zinc/08/94/38/144089438.db2.gz IHOVDOZJPJPBSI-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000184235146 144089439 /nfs/dbraw/zinc/08/94/39/144089439.db2.gz IHOVDOZJPJPBSI-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO CC[N@H+](CCCNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000341384694 155261829 /nfs/dbraw/zinc/26/18/29/155261829.db2.gz QYVUWIGWDQQLAW-UHFFFAOYSA-N 1 2 342.399 3.022 20 5 EGBDLO CC[N@@H+](CCCNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1 ZINC000341384694 155261831 /nfs/dbraw/zinc/26/18/31/155261831.db2.gz QYVUWIGWDQQLAW-UHFFFAOYSA-N 1 2 342.399 3.022 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121673317 152364634 /nfs/dbraw/zinc/36/46/34/152364634.db2.gz KSVGXGGTBQPQAP-UHFFFAOYSA-N 1 2 336.145 3.313 20 5 EGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000121802013 152372268 /nfs/dbraw/zinc/37/22/68/152372268.db2.gz FMQKORZEYBMEMK-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000265092656 287155502 /nfs/dbraw/zinc/15/55/02/287155502.db2.gz ATCJEERFOYEOII-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO Nc1ccc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cc1[N+](=O)[O-] ZINC000355449851 166204126 /nfs/dbraw/zinc/20/41/26/166204126.db2.gz ZMULVTMRJVEEON-UHFFFAOYSA-N 1 2 348.322 3.080 20 5 EGBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000274257852 267206894 /nfs/dbraw/zinc/20/68/94/267206894.db2.gz UPRODINDPPUOTA-ZDUSSCGKSA-N 1 2 342.399 3.289 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000274982514 267314999 /nfs/dbraw/zinc/31/49/99/267314999.db2.gz MJCODFPSGSUJDW-JTQLQIEISA-N 1 2 330.306 3.499 20 5 EGBDLO CC(C)[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1[nH]cc[nH+]1 ZINC000283058843 275694360 /nfs/dbraw/zinc/69/43/60/275694360.db2.gz QTFVPUFRCHAVJA-AWEZNQCLSA-N 1 2 328.328 3.191 20 5 EGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287585987 276136460 /nfs/dbraw/zinc/13/64/60/276136460.db2.gz YAESJBRIIVDKTP-ZDUSSCGKSA-N 1 2 348.786 3.004 20 5 EGBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287585987 276136461 /nfs/dbraw/zinc/13/64/61/276136461.db2.gz YAESJBRIIVDKTP-ZDUSSCGKSA-N 1 2 348.786 3.004 20 5 EGBDLO Cc1cc(N2CCn3cc[nH+]c3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359916245 278717556 /nfs/dbraw/zinc/71/75/56/278717556.db2.gz ZGNALFCIWQETEX-UHFFFAOYSA-N 1 2 326.278 3.139 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CCC2)CC1 ZINC000368550501 280178224 /nfs/dbraw/zinc/17/82/24/280178224.db2.gz HQXUCZCWCJYATH-UHFFFAOYSA-N 1 2 340.383 3.187 20 5 EGBDLO C[C@H](c1ccccc1F)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264975138 290266082 /nfs/dbraw/zinc/26/60/82/290266082.db2.gz PZPOPDCDNYPNLQ-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000058514515 307349275 /nfs/dbraw/zinc/34/92/75/307349275.db2.gz NLSRMDHSBAMYMZ-UHFFFAOYSA-N 1 2 344.371 3.279 20 5 EGBDLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293118287 308100953 /nfs/dbraw/zinc/10/09/53/308100953.db2.gz KHHBUIOAZDYARV-ABAIWWIYSA-N 1 2 335.791 3.160 20 5 EGBDLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293118287 308100954 /nfs/dbraw/zinc/10/09/54/308100954.db2.gz KHHBUIOAZDYARV-ABAIWWIYSA-N 1 2 335.791 3.160 20 5 EGBDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000296154252 308398722 /nfs/dbraw/zinc/39/87/22/308398722.db2.gz XQOUDXWTBIILNP-ZFWWWQNUSA-N 1 2 342.399 3.028 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000301205109 308691727 /nfs/dbraw/zinc/69/17/27/308691727.db2.gz RHEMFRUOPDUBOC-KRWDZBQOSA-N 1 2 345.374 3.219 20 5 EGBDLO CSc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000421561311 309329743 /nfs/dbraw/zinc/32/97/43/309329743.db2.gz SBMVGZCKPIDKNJ-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442795378 309887246 /nfs/dbraw/zinc/88/72/46/309887246.db2.gz DRZZUNCPQSMFLV-ZFWWWQNUSA-N 1 2 330.388 3.154 20 5 EGBDLO CC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448599994 310008115 /nfs/dbraw/zinc/00/81/15/310008115.db2.gz BKPUPNNTRBPYBL-UHFFFAOYSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448669196 310011708 /nfs/dbraw/zinc/01/17/08/310011708.db2.gz RNRFRAVOXXQQLJ-HIFRSBDPSA-N 1 2 342.399 3.431 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000449949927 310095574 /nfs/dbraw/zinc/09/55/74/310095574.db2.gz DJRPYIXLMGOOTI-DZGCQCFKSA-N 1 2 340.383 3.185 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000449949928 310095622 /nfs/dbraw/zinc/09/56/22/310095622.db2.gz DJRPYIXLMGOOTI-HIFRSBDPSA-N 1 2 340.383 3.185 20 5 EGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)C1 ZINC000450200278 310108352 /nfs/dbraw/zinc/10/83/52/310108352.db2.gz IQIMMESVEUSIFA-UONOGXRCSA-N 1 2 342.399 3.289 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455137881 310346577 /nfs/dbraw/zinc/34/65/77/310346577.db2.gz IXSNQCBNSBSXLJ-WCQYABFASA-N 1 2 329.360 3.236 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455457958 310361495 /nfs/dbraw/zinc/36/14/95/310361495.db2.gz CWUVFLYPSCPZME-IINYFYTJSA-N 1 2 329.360 3.181 20 5 EGBDLO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc21 ZINC000456291040 310396782 /nfs/dbraw/zinc/39/67/82/310396782.db2.gz YPHPGBOUUOVURF-MRXNPFEDSA-N 1 2 341.367 3.102 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000456347893 310400223 /nfs/dbraw/zinc/40/02/23/310400223.db2.gz HWSLIKKQGRPGQP-LLVKDONJSA-N 1 2 348.378 3.105 20 5 EGBDLO CC(C)CN(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC000490039272 311130710 /nfs/dbraw/zinc/13/07/10/311130710.db2.gz BWFDRVPBIQWXIQ-UHFFFAOYSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)CN(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC000490039272 311130713 /nfs/dbraw/zinc/13/07/13/311130713.db2.gz BWFDRVPBIQWXIQ-UHFFFAOYSA-N 1 2 347.459 3.452 20 5 EGBDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000492537131 311263252 /nfs/dbraw/zinc/26/32/52/311263252.db2.gz QIBKJHBZMYSVIW-VOTSOKGWSA-N 1 2 348.790 3.136 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000492720991 311283914 /nfs/dbraw/zinc/28/39/14/311283914.db2.gz JAAPXNZEZLLREX-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO CCOc1cc(C[N@H+]2CCc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000492720991 311283916 /nfs/dbraw/zinc/28/39/16/311283916.db2.gz JAAPXNZEZLLREX-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513457111 312210795 /nfs/dbraw/zinc/21/07/95/312210795.db2.gz VFZUFWRLUNGIIZ-FSNWXROXSA-N 1 2 332.400 3.414 20 5 EGBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513457111 312210796 /nfs/dbraw/zinc/21/07/96/312210796.db2.gz VFZUFWRLUNGIIZ-FSNWXROXSA-N 1 2 332.400 3.414 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1ccc(C)[nH+]c1 ZINC000515494327 312285877 /nfs/dbraw/zinc/28/58/77/312285877.db2.gz MKPZYPOBNGXOIC-UHFFFAOYSA-N 1 2 329.356 3.048 20 5 EGBDLO Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000534300368 313968015 /nfs/dbraw/zinc/96/80/15/313968015.db2.gz WWRCXSYHGAABSQ-GFCCVEGCSA-N 1 2 331.397 3.148 20 5 EGBDLO Cc1cc(Cc2noc(Cc3cn4ccccc4[nH+]3)n2)ccc1[N+](=O)[O-] ZINC000545849861 314784999 /nfs/dbraw/zinc/78/49/99/314784999.db2.gz LGCHWZUNBVYQHP-UHFFFAOYSA-N 1 2 349.350 3.116 20 5 EGBDLO C[C@H]1CN(c2ccc(Nc3c(F)cccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000553299623 315256085 /nfs/dbraw/zinc/25/60/85/315256085.db2.gz NCAVYEDVAOHDCZ-RYUDHWBXSA-N 1 2 346.362 3.486 20 5 EGBDLO CCC[N@H+](CC(=O)OCC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555314681 315378563 /nfs/dbraw/zinc/37/85/63/315378563.db2.gz IVZBQFCQIPOHJN-UHFFFAOYSA-N 1 2 348.321 3.389 20 5 EGBDLO CCC[N@@H+](CC(=O)OCC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555314681 315378564 /nfs/dbraw/zinc/37/85/64/315378564.db2.gz IVZBQFCQIPOHJN-UHFFFAOYSA-N 1 2 348.321 3.389 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1noc(-c2cccs2)n1 ZINC000564469857 316157592 /nfs/dbraw/zinc/15/75/92/316157592.db2.gz IRUILSIWHIVKSQ-LBPRGKRZSA-N 1 2 342.380 3.483 20 5 EGBDLO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172859532 323290871 /nfs/dbraw/zinc/29/08/71/323290871.db2.gz XUINIQJJSYXATB-WDEREUQCSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172859532 323290873 /nfs/dbraw/zinc/29/08/73/323290873.db2.gz XUINIQJJSYXATB-WDEREUQCSA-N 1 2 325.796 3.307 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000579371087 325101626 /nfs/dbraw/zinc/10/16/26/325101626.db2.gz WBCPAZOVFVXUMR-UHFFFAOYSA-N 1 2 330.363 3.147 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181549465 455353554 /nfs/dbraw/zinc/35/35/54/455353554.db2.gz FNKFUZWOGNOMBH-QGZVFWFLSA-N 1 2 337.383 3.416 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591619 453613598 /nfs/dbraw/zinc/61/35/98/453613598.db2.gz GDWSBNBCNPNBRO-WDEREUQCSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591619 453613604 /nfs/dbraw/zinc/61/36/04/453613604.db2.gz GDWSBNBCNPNBRO-WDEREUQCSA-N 1 2 345.321 3.196 20 5 EGBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(F)c1 ZINC000025916710 453789894 /nfs/dbraw/zinc/78/98/94/453789894.db2.gz RZJFQPHVFQSMDY-UHFFFAOYSA-N 1 2 342.330 3.416 20 5 EGBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(F)c1 ZINC000025916710 453789897 /nfs/dbraw/zinc/78/98/97/453789897.db2.gz RZJFQPHVFQSMDY-UHFFFAOYSA-N 1 2 342.330 3.416 20 5 EGBDLO CC1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000052843045 453847011 /nfs/dbraw/zinc/84/70/11/453847011.db2.gz ISVXAOZAJURXMD-UHFFFAOYSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032161958 453865347 /nfs/dbraw/zinc/86/53/47/453865347.db2.gz GUCBXHFGOMPWMJ-DZGCQCFKSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032170765 453865712 /nfs/dbraw/zinc/86/57/12/453865712.db2.gz UBDBPLPIFYMDFL-UKRRQHHQSA-N 1 2 342.399 3.431 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cn3cc(Br)ccc3[nH+]2)nc1 ZINC000054841326 453950439 /nfs/dbraw/zinc/95/04/39/453950439.db2.gz RPXRUZDASNIICB-UHFFFAOYSA-N 1 2 348.160 3.012 20 5 EGBDLO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000069189837 454086104 /nfs/dbraw/zinc/08/61/04/454086104.db2.gz AERZSSBXBJTIHW-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc(-c2ccncc2)[nH+]1 ZINC000088763211 454119876 /nfs/dbraw/zinc/11/98/76/454119876.db2.gz UDHMBILPLMPCEI-UHFFFAOYSA-N 1 2 347.378 3.318 20 5 EGBDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130514456 454202179 /nfs/dbraw/zinc/20/21/79/454202179.db2.gz UJAJCDAMWURSTL-GJZGRUSLSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130514456 454202183 /nfs/dbraw/zinc/20/21/83/454202183.db2.gz UJAJCDAMWURSTL-GJZGRUSLSA-N 1 2 345.443 3.349 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000047406556 454368457 /nfs/dbraw/zinc/36/84/57/454368457.db2.gz RAPQWQNHVFHGKL-UHFFFAOYSA-N 1 2 336.351 3.203 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000047406556 454368461 /nfs/dbraw/zinc/36/84/61/454368461.db2.gz RAPQWQNHVFHGKL-UHFFFAOYSA-N 1 2 336.351 3.203 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000063524166 454422166 /nfs/dbraw/zinc/42/21/66/454422166.db2.gz QGQGMVODUNMCOR-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000063524166 454422169 /nfs/dbraw/zinc/42/21/69/454422169.db2.gz QGQGMVODUNMCOR-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO CC1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000065691181 454611487 /nfs/dbraw/zinc/61/14/87/454611487.db2.gz TTZGWFBKQWHALQ-UHFFFAOYSA-N 1 2 342.399 3.337 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236980 454651087 /nfs/dbraw/zinc/65/10/87/454651087.db2.gz BDDNQQLBRDUSFB-INIZCTEOSA-N 1 2 345.443 3.350 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236980 454651092 /nfs/dbraw/zinc/65/10/92/454651092.db2.gz BDDNQQLBRDUSFB-INIZCTEOSA-N 1 2 345.443 3.350 20 5 EGBDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000106879450 454727965 /nfs/dbraw/zinc/72/79/65/454727965.db2.gz YUSSHOMVQZAEMU-NSHDSACASA-N 1 2 348.428 3.300 20 5 EGBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000106879450 454727970 /nfs/dbraw/zinc/72/79/70/454727970.db2.gz YUSSHOMVQZAEMU-NSHDSACASA-N 1 2 348.428 3.300 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000266931582 455477517 /nfs/dbraw/zinc/47/75/17/455477517.db2.gz MRIFIRLGRPFLBS-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000266931582 455477523 /nfs/dbraw/zinc/47/75/23/455477523.db2.gz MRIFIRLGRPFLBS-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000114466939 454955691 /nfs/dbraw/zinc/95/56/91/454955691.db2.gz XJMXUQGONCTVQD-KRWDZBQOSA-N 1 2 330.359 3.216 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000114466939 454955693 /nfs/dbraw/zinc/95/56/93/454955693.db2.gz XJMXUQGONCTVQD-KRWDZBQOSA-N 1 2 330.359 3.216 20 5 EGBDLO COCOc1ccc(OC)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316348 455032254 /nfs/dbraw/zinc/03/22/54/455032254.db2.gz LTBVWKJBTDMKJM-UHFFFAOYSA-N 1 2 346.383 3.218 20 5 EGBDLO COCOc1ccc(OC)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316348 455032258 /nfs/dbraw/zinc/03/22/58/455032258.db2.gz LTBVWKJBTDMKJM-UHFFFAOYSA-N 1 2 346.383 3.218 20 5 EGBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000245446357 455302979 /nfs/dbraw/zinc/30/29/79/455302979.db2.gz LCJGAJFEBMJIQV-CHWSQXEVSA-N 1 2 337.445 3.058 20 5 EGBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000245446357 455302980 /nfs/dbraw/zinc/30/29/80/455302980.db2.gz LCJGAJFEBMJIQV-CHWSQXEVSA-N 1 2 337.445 3.058 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181558589 455355235 /nfs/dbraw/zinc/35/52/35/455355235.db2.gz QCZYUTJPISUJEL-QGZVFWFLSA-N 1 2 342.395 3.047 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000181558589 455355238 /nfs/dbraw/zinc/35/52/38/455355238.db2.gz QCZYUTJPISUJEL-QGZVFWFLSA-N 1 2 342.395 3.047 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccco1)C(C)C ZINC000266728933 455443783 /nfs/dbraw/zinc/44/37/83/455443783.db2.gz JVHWEJGVIHHFOD-UHFFFAOYSA-N 1 2 331.372 3.345 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccco1)C(C)C ZINC000266728933 455443786 /nfs/dbraw/zinc/44/37/86/455443786.db2.gz JVHWEJGVIHHFOD-UHFFFAOYSA-N 1 2 331.372 3.345 20 5 EGBDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000160985551 455521107 /nfs/dbraw/zinc/52/11/07/455521107.db2.gz BDWGMNODFFJUKK-UHFFFAOYSA-N 1 2 330.388 3.063 20 5 EGBDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000160985551 455521111 /nfs/dbraw/zinc/52/11/11/455521111.db2.gz BDWGMNODFFJUKK-UHFFFAOYSA-N 1 2 330.388 3.063 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@](=O)C1 ZINC000277589234 455607398 /nfs/dbraw/zinc/60/73/98/455607398.db2.gz USXMLEUZWZSQNW-RKNYENMMSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@](=O)C1 ZINC000277589234 455607403 /nfs/dbraw/zinc/60/74/03/455607403.db2.gz USXMLEUZWZSQNW-RKNYENMMSA-N 1 2 348.424 3.055 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)cc1 ZINC000292295731 455621704 /nfs/dbraw/zinc/62/17/04/455621704.db2.gz VLKPOROYKMQGQS-INIZCTEOSA-N 1 2 329.404 3.167 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCCC3)CCC2 ZINC000192607481 455652290 /nfs/dbraw/zinc/65/22/90/455652290.db2.gz RVPIKVSTEYVQNS-MRXNPFEDSA-N 1 2 341.415 3.080 20 5 EGBDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638389 455659054 /nfs/dbraw/zinc/65/90/54/455659054.db2.gz UWFSEHLOSORJJL-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638389 455659061 /nfs/dbraw/zinc/65/90/61/455659061.db2.gz UWFSEHLOSORJJL-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO CCn1c2ccccc2[nH+]c1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000268515481 455704806 /nfs/dbraw/zinc/70/48/06/455704806.db2.gz TXVHNZZFEQQGSS-UHFFFAOYSA-N 1 2 325.372 3.322 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285444141 455846002 /nfs/dbraw/zinc/84/60/02/455846002.db2.gz XWBYHMLOQFWVHC-ZDUSSCGKSA-N 1 2 341.367 3.304 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC=C(c2ccco2)C1 ZINC000285444141 455846004 /nfs/dbraw/zinc/84/60/04/455846004.db2.gz XWBYHMLOQFWVHC-ZDUSSCGKSA-N 1 2 341.367 3.304 20 5 EGBDLO Cc1c[nH+]ccc1CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000270026340 455859667 /nfs/dbraw/zinc/85/96/67/455859667.db2.gz XMKBVNUMYMYYRO-UHFFFAOYSA-N 1 2 342.399 3.091 20 5 EGBDLO Cc1cc(N[C@H]2CC[C@H](CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270227004 455906897 /nfs/dbraw/zinc/90/68/97/455906897.db2.gz OBMMBCJJZNGCBK-CTYIDZIISA-N 1 2 342.399 3.323 20 5 EGBDLO Cc1cc(N2CCCC[C@@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270270776 455917088 /nfs/dbraw/zinc/91/70/88/455917088.db2.gz WILINEMCYWYJHB-OAHLLOKOSA-N 1 2 342.399 3.102 20 5 EGBDLO CC(C)CCOCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272520475 455980447 /nfs/dbraw/zinc/98/04/47/455980447.db2.gz LBOOUPJLMILSCK-KRWDZBQOSA-N 1 2 346.431 3.070 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188170574 456013451 /nfs/dbraw/zinc/01/34/51/456013451.db2.gz FKIAGMMJFKIOQO-INIZCTEOSA-N 1 2 326.331 3.336 20 5 EGBDLO COc1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000272876639 456098733 /nfs/dbraw/zinc/09/87/33/456098733.db2.gz VXONRYRLBYQJCL-LBPRGKRZSA-N 1 2 345.359 3.086 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])c(NCCc2ccc(C)[nH+]c2)cc1Cl ZINC000301690383 456188553 /nfs/dbraw/zinc/18/85/53/456188553.db2.gz WHYWWSLQQKQCHT-UHFFFAOYSA-N 1 2 349.774 3.393 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000352768668 456290786 /nfs/dbraw/zinc/29/07/86/456290786.db2.gz IRBNWISOWLWGSL-CQSZACIVSA-N 1 2 344.390 3.321 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281747537 456309467 /nfs/dbraw/zinc/30/94/67/456309467.db2.gz JPSUZRJOQJGMQY-OAHLLOKOSA-N 1 2 342.399 3.487 20 5 EGBDLO CC[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000347962474 456431231 /nfs/dbraw/zinc/43/12/31/456431231.db2.gz NYBMTYIQPIWPCJ-MFKMUULPSA-N 1 2 334.401 3.066 20 5 EGBDLO CC[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000347962475 456431447 /nfs/dbraw/zinc/43/14/47/456431447.db2.gz NYBMTYIQPIWPCJ-ZWNOBZJWSA-N 1 2 334.401 3.066 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276414654 456474057 /nfs/dbraw/zinc/47/40/57/456474057.db2.gz MTBWTBXBSBBKKX-UHFFFAOYSA-N 1 2 343.387 3.346 20 5 EGBDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000353418322 456688991 /nfs/dbraw/zinc/68/89/91/456688991.db2.gz CTMDJWOJUWGHQN-UHFFFAOYSA-N 1 2 345.424 3.034 20 5 EGBDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000353418322 456688995 /nfs/dbraw/zinc/68/89/95/456688995.db2.gz CTMDJWOJUWGHQN-UHFFFAOYSA-N 1 2 345.424 3.034 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000277507497 456847515 /nfs/dbraw/zinc/84/75/15/456847515.db2.gz JOWGMLLRGPAETG-UHFFFAOYSA-N 1 2 348.378 3.045 20 5 EGBDLO C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000344801575 456859815 /nfs/dbraw/zinc/85/98/15/456859815.db2.gz WUOIPPWRUHHSPI-KSSFIOAISA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000344801575 456859821 /nfs/dbraw/zinc/85/98/21/456859821.db2.gz WUOIPPWRUHHSPI-KSSFIOAISA-N 1 2 339.395 3.047 20 5 EGBDLO CCOc1ccc2c(c1)CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000339040298 456912106 /nfs/dbraw/zinc/91/21/06/456912106.db2.gz GLPSKJIPEVVSAS-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO CCOc1ccc2c(c1)CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000339040298 456912107 /nfs/dbraw/zinc/91/21/07/456912107.db2.gz GLPSKJIPEVVSAS-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000339082458 456932361 /nfs/dbraw/zinc/93/23/61/456932361.db2.gz YFPBNKZDVLLADT-HNNXBMFYSA-N 1 2 338.367 3.097 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000339082458 456932363 /nfs/dbraw/zinc/93/23/63/456932363.db2.gz YFPBNKZDVLLADT-HNNXBMFYSA-N 1 2 338.367 3.097 20 5 EGBDLO Cc1noc([C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000345335399 456975424 /nfs/dbraw/zinc/97/54/24/456975424.db2.gz RMTDDFHVAFUQKH-BZNIZROVSA-N 1 2 346.387 3.105 20 5 EGBDLO CCO[C@H](C)c1noc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000353971862 456984144 /nfs/dbraw/zinc/98/41/44/456984144.db2.gz MGONMRBKSJLSKK-FNOHHLHBSA-N 1 2 346.387 3.221 20 5 EGBDLO CCO[C@H](C)c1noc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000353971862 456984146 /nfs/dbraw/zinc/98/41/46/456984146.db2.gz MGONMRBKSJLSKK-FNOHHLHBSA-N 1 2 346.387 3.221 20 5 EGBDLO COc1cc(C)c(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000349560775 456986489 /nfs/dbraw/zinc/98/64/89/456986489.db2.gz DRHKXSGPKNXTQT-UHFFFAOYSA-N 1 2 346.383 3.258 20 5 EGBDLO COc1cc(C)c(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000349560775 456986493 /nfs/dbraw/zinc/98/64/93/456986493.db2.gz DRHKXSGPKNXTQT-UHFFFAOYSA-N 1 2 346.383 3.258 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2c1 ZINC000342164285 457145508 /nfs/dbraw/zinc/14/55/08/457145508.db2.gz XPKAZINDJYKXNK-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000347576787 457521298 /nfs/dbraw/zinc/52/12/98/457521298.db2.gz LYMYUSWYFPVKPP-UHFFFAOYSA-N 1 2 334.401 3.140 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000347576787 457521303 /nfs/dbraw/zinc/52/13/03/457521303.db2.gz LYMYUSWYFPVKPP-UHFFFAOYSA-N 1 2 334.401 3.140 20 5 EGBDLO CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000357479046 457554305 /nfs/dbraw/zinc/55/43/05/457554305.db2.gz RCGQCZQNPKVYKY-HIFRSBDPSA-N 1 2 342.399 3.479 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000366470533 457818568 /nfs/dbraw/zinc/81/85/68/457818568.db2.gz VANHJFXYYSADLH-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000366470533 457818575 /nfs/dbraw/zinc/81/85/75/457818575.db2.gz VANHJFXYYSADLH-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000366608185 457868473 /nfs/dbraw/zinc/86/84/73/457868473.db2.gz LZNHHUBHJXRRGO-INIZCTEOSA-N 1 2 342.399 3.108 20 5 EGBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000371330499 457870090 /nfs/dbraw/zinc/87/00/90/457870090.db2.gz BRLDALQUOOTLIO-UHFFFAOYSA-N 1 2 330.331 3.197 20 5 EGBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000371330499 457870096 /nfs/dbraw/zinc/87/00/96/457870096.db2.gz BRLDALQUOOTLIO-UHFFFAOYSA-N 1 2 330.331 3.197 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000362396870 458151471 /nfs/dbraw/zinc/15/14/71/458151471.db2.gz PGKPHMABGCFZTK-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000373075063 458392662 /nfs/dbraw/zinc/39/26/62/458392662.db2.gz SCNVJFIRZMCZMP-NSHDSACASA-N 1 2 348.790 3.002 20 5 EGBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000459600120 458425591 /nfs/dbraw/zinc/42/55/91/458425591.db2.gz SBPLDXQYSFPPDL-UHFFFAOYSA-N 1 2 338.358 3.265 20 5 EGBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000459600120 458425595 /nfs/dbraw/zinc/42/55/95/458425595.db2.gz SBPLDXQYSFPPDL-UHFFFAOYSA-N 1 2 338.358 3.265 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437353602 458447106 /nfs/dbraw/zinc/44/71/06/458447106.db2.gz DDLXFUKSSHVVSI-UHFFFAOYSA-N 1 2 339.273 3.245 20 5 EGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)[nH+]1 ZINC000373739289 458587602 /nfs/dbraw/zinc/58/76/02/458587602.db2.gz WDCGMDMEIHCMDT-UHFFFAOYSA-N 1 2 337.339 3.128 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3ccccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000530375042 458757755 /nfs/dbraw/zinc/75/77/55/458757755.db2.gz ANRZYZUYUGZNMH-BETUJISGSA-N 1 2 328.372 3.347 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1n[nH]cc1Br ZINC000531969374 459009230 /nfs/dbraw/zinc/00/92/30/459009230.db2.gz OELJYOWCFSXUAR-VIFPVBQESA-N 1 2 339.193 3.240 20 5 EGBDLO CC[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443121367 459090382 /nfs/dbraw/zinc/09/03/82/459090382.db2.gz CTPSABVKICKXIG-ZDUSSCGKSA-N 1 2 330.388 3.497 20 5 EGBDLO O=C(c1ccccc1)c1ccc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000590567803 459150509 /nfs/dbraw/zinc/15/05/09/459150509.db2.gz RBNSVFGBCLXOJX-UHFFFAOYSA-N 1 2 348.362 3.112 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595343765 459281270 /nfs/dbraw/zinc/28/12/70/459281270.db2.gz JCEPYTNYMWMABQ-GOSISDBHSA-N 1 2 330.359 3.482 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595343765 459281273 /nfs/dbraw/zinc/28/12/73/459281273.db2.gz JCEPYTNYMWMABQ-GOSISDBHSA-N 1 2 330.359 3.482 20 5 EGBDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000595514821 459331677 /nfs/dbraw/zinc/33/16/77/459331677.db2.gz KLDNSYSWVNJXLM-SNVBAGLBSA-N 1 2 348.794 3.014 20 5 EGBDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000595514821 459331683 /nfs/dbraw/zinc/33/16/83/459331683.db2.gz KLDNSYSWVNJXLM-SNVBAGLBSA-N 1 2 348.794 3.014 20 5 EGBDLO CCOc1cc(C[N@H+](C2CC2)C2(C(=O)OC)CCC2)ccc1[N+](=O)[O-] ZINC000595542313 459340599 /nfs/dbraw/zinc/34/05/99/459340599.db2.gz OVZCAOLEAMKBEO-UHFFFAOYSA-N 1 2 348.399 3.054 20 5 EGBDLO CCOc1cc(C[N@@H+](C2CC2)C2(C(=O)OC)CCC2)ccc1[N+](=O)[O-] ZINC000595542313 459340610 /nfs/dbraw/zinc/34/06/10/459340610.db2.gz OVZCAOLEAMKBEO-UHFFFAOYSA-N 1 2 348.399 3.054 20 5 EGBDLO CCO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591844709 459454140 /nfs/dbraw/zinc/45/41/40/459454140.db2.gz BXNVSPMEPVAEEQ-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO CCO[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591844709 459454146 /nfs/dbraw/zinc/45/41/46/459454146.db2.gz BXNVSPMEPVAEEQ-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO C[C@H](CNc1c(Br)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000596081217 459512824 /nfs/dbraw/zinc/51/28/24/459512824.db2.gz VEDPUFQPCIFAGQ-SNVBAGLBSA-N 1 2 339.193 3.302 20 5 EGBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000562312800 459536863 /nfs/dbraw/zinc/53/68/63/459536863.db2.gz XFTZSVHBMLJVTL-GJZGRUSLSA-N 1 2 348.378 3.224 20 5 EGBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000562312800 459536869 /nfs/dbraw/zinc/53/68/69/459536869.db2.gz XFTZSVHBMLJVTL-GJZGRUSLSA-N 1 2 348.378 3.224 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCC2)O1 ZINC000592195803 459547999 /nfs/dbraw/zinc/54/79/99/459547999.db2.gz VCEGCBTXJSWLES-GFCCVEGCSA-N 1 2 330.388 3.005 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCC2)O1 ZINC000592195803 459548002 /nfs/dbraw/zinc/54/80/02/459548002.db2.gz VCEGCBTXJSWLES-GFCCVEGCSA-N 1 2 330.388 3.005 20 5 EGBDLO C[C@@H](CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000573210818 459642831 /nfs/dbraw/zinc/64/28/31/459642831.db2.gz YARLVYXXCNTSJQ-LRDDRELGSA-N 1 2 346.412 3.017 20 5 EGBDLO Cc1cc(NCC2CCSCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000500427048 459679655 /nfs/dbraw/zinc/67/96/55/459679655.db2.gz XARJMABXADIBOI-UHFFFAOYSA-N 1 2 344.440 3.337 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(N3CCCC3)[nH+]c2)c1C ZINC000592986894 459731830 /nfs/dbraw/zinc/73/18/30/459731830.db2.gz MVGWCWYCYIGXRX-UHFFFAOYSA-N 1 2 341.367 3.352 20 5 EGBDLO CCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C(C)C)cn1 ZINC000593082538 459768074 /nfs/dbraw/zinc/76/80/74/459768074.db2.gz WPJJNRBATAGOME-UHFFFAOYSA-N 1 2 332.404 3.230 20 5 EGBDLO CCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C(C)C)cn1 ZINC000593082538 459768077 /nfs/dbraw/zinc/76/80/77/459768077.db2.gz WPJJNRBATAGOME-UHFFFAOYSA-N 1 2 332.404 3.230 20 5 EGBDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000566364801 459852195 /nfs/dbraw/zinc/85/21/95/459852195.db2.gz APXOHFKUGLRHAG-NSHDSACASA-N 1 2 348.428 3.158 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])cc1F ZINC000545930683 459874691 /nfs/dbraw/zinc/87/46/91/459874691.db2.gz XWABJXRHGVTJLN-HNNXBMFYSA-N 1 2 331.347 3.475 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])cc1F ZINC000545930683 459874693 /nfs/dbraw/zinc/87/46/93/459874693.db2.gz XWABJXRHGVTJLN-HNNXBMFYSA-N 1 2 331.347 3.475 20 5 EGBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(CCO)CC2)cc1Br ZINC000602436995 459937192 /nfs/dbraw/zinc/93/71/92/459937192.db2.gz CALQEKWBMOEUNO-UHFFFAOYSA-N 1 2 349.250 3.013 20 5 EGBDLO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@@H]1C ZINC000602515964 459978562 /nfs/dbraw/zinc/97/85/62/459978562.db2.gz UMTZWXPPUCTNMY-QWHCGFSZSA-N 1 2 332.404 3.089 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H](NCCCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000575754193 459996565 /nfs/dbraw/zinc/99/65/65/459996565.db2.gz OGGUADYHLMWBGZ-CQSZACIVSA-N 1 2 342.321 3.465 20 5 EGBDLO CO[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602603019 460020007 /nfs/dbraw/zinc/02/00/07/460020007.db2.gz PGXRNHYVDVEZTA-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO CO[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602603019 460020017 /nfs/dbraw/zinc/02/00/17/460020017.db2.gz PGXRNHYVDVEZTA-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO CCOC[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000598895017 460087506 /nfs/dbraw/zinc/08/75/06/460087506.db2.gz OFRWTKNZBDLVHS-VIFPVBQESA-N 1 2 349.250 3.277 20 5 EGBDLO CCOC[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000598895017 460087516 /nfs/dbraw/zinc/08/75/16/460087516.db2.gz OFRWTKNZBDLVHS-VIFPVBQESA-N 1 2 349.250 3.277 20 5 EGBDLO CC[C@@]1(O)CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602739939 460099454 /nfs/dbraw/zinc/09/94/54/460099454.db2.gz NNHJHDWOJUOZOY-GFCCVEGCSA-N 1 2 349.250 3.156 20 5 EGBDLO CC[C@@]1(O)CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602739939 460099461 /nfs/dbraw/zinc/09/94/61/460099461.db2.gz NNHJHDWOJUOZOY-GFCCVEGCSA-N 1 2 349.250 3.156 20 5 EGBDLO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610410331 460145319 /nfs/dbraw/zinc/14/53/19/460145319.db2.gz NVMAZIFOQNVBJS-SMDDNHRTSA-N 1 2 348.321 3.015 20 5 EGBDLO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610410331 460145326 /nfs/dbraw/zinc/14/53/26/460145326.db2.gz NVMAZIFOQNVBJS-SMDDNHRTSA-N 1 2 348.321 3.015 20 5 EGBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000599525557 460267713 /nfs/dbraw/zinc/26/77/13/460267713.db2.gz KDQXKGVJNHVGRT-UHFFFAOYSA-N 1 2 326.400 3.241 20 5 EGBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000599525557 460267719 /nfs/dbraw/zinc/26/77/19/460267719.db2.gz KDQXKGVJNHVGRT-UHFFFAOYSA-N 1 2 326.400 3.241 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493644652 517883690 /nfs/dbraw/zinc/88/36/90/517883690.db2.gz NWEZVJMUOVAHIK-OKPNEXGHSA-N 1 2 348.790 3.355 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000178175800 534327836 /nfs/dbraw/zinc/32/78/36/534327836.db2.gz VVZGQFDTOLDKHW-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO Nc1nc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2ccccc12 ZINC000181435973 534746946 /nfs/dbraw/zinc/74/69/46/534746946.db2.gz XVEZMDPYQXQGQD-UHFFFAOYSA-N 1 2 349.394 3.285 20 5 EGBDLO Nc1nc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc2ccccc12 ZINC000181435973 534746952 /nfs/dbraw/zinc/74/69/52/534746952.db2.gz XVEZMDPYQXQGQD-UHFFFAOYSA-N 1 2 349.394 3.285 20 5 EGBDLO O=C(NC1CCCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015303126 546518346 /nfs/dbraw/zinc/51/83/46/546518346.db2.gz JXLWACBCBASFPH-UHFFFAOYSA-N 1 2 328.372 3.233 20 5 EGBDLO CC(C)[C@@H]1CC(=O)N(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000733294149 575325272 /nfs/dbraw/zinc/32/52/72/575325272.db2.gz UPUHADBCWDDGQB-MRXNPFEDSA-N 1 2 333.432 3.267 20 5 EGBDLO CC(C)[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000733294149 575325273 /nfs/dbraw/zinc/32/52/73/575325273.db2.gz UPUHADBCWDDGQB-MRXNPFEDSA-N 1 2 333.432 3.267 20 5 EGBDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069070491 1292229163 /nfs/dbraw/zinc/22/91/63/1292229163.db2.gz OFUHKNGMVIKYMQ-JTQLQIEISA-N 1 2 337.763 3.473 20 5 EGBDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069070491 1292229170 /nfs/dbraw/zinc/22/91/70/1292229170.db2.gz OFUHKNGMVIKYMQ-JTQLQIEISA-N 1 2 337.763 3.473 20 5 EGBDLO COc1ccc(OC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000123875910 1293458946 /nfs/dbraw/zinc/45/89/46/1293458946.db2.gz VVNONTLROXDETP-INIZCTEOSA-N 1 2 336.388 3.019 20 5 EGBDLO COc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1 ZINC000171297135 1294402560 /nfs/dbraw/zinc/40/25/60/1294402560.db2.gz QEIXYQDOHDCCIX-UHFFFAOYSA-N 1 2 339.307 3.008 20 5 EGBDLO O=C(C[N@@H+]1CCC2(CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173823569 1294471889 /nfs/dbraw/zinc/47/18/89/1294471889.db2.gz UZCFGCUARPZBBV-UHFFFAOYSA-N 1 2 337.807 3.453 20 5 EGBDLO O=C(C[N@H+]1CCC2(CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173823569 1294471893 /nfs/dbraw/zinc/47/18/93/1294471893.db2.gz UZCFGCUARPZBBV-UHFFFAOYSA-N 1 2 337.807 3.453 20 5 EGBDLO Cc1c(CNc2cc(CSCCO)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000871862890 1296576848 /nfs/dbraw/zinc/57/68/48/1296576848.db2.gz MAWSGSXQYVIMBS-UHFFFAOYSA-N 1 2 333.413 3.136 20 5 EGBDLO CSC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000872628415 1297034470 /nfs/dbraw/zinc/03/44/70/1297034470.db2.gz XZVDPCZIKWEUOH-UHFFFAOYSA-N 1 2 340.836 3.383 20 5 EGBDLO Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(N(C)C)[nH+]1 ZINC000750529454 1299417864 /nfs/dbraw/zinc/41/78/64/1299417864.db2.gz VAUSITYCSKSKSB-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO COc1ccc(CO[NH+]=C(N)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000751124552 1299514037 /nfs/dbraw/zinc/51/40/37/1299514037.db2.gz LDAHVWMTUXUOCC-UHFFFAOYSA-N 1 2 329.356 3.153 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761047498 1301387852 /nfs/dbraw/zinc/38/78/52/1301387852.db2.gz VMSGISFUUULERL-MNOVXSKESA-N 1 2 345.321 3.114 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761047498 1301387858 /nfs/dbraw/zinc/38/78/58/1301387858.db2.gz VMSGISFUUULERL-MNOVXSKESA-N 1 2 345.321 3.114 20 5 EGBDLO CN(C)c1cc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000763287252 1301866643 /nfs/dbraw/zinc/86/66/43/1301866643.db2.gz LASVDVUXAVFHDZ-UHFFFAOYSA-N 1 2 335.747 3.066 20 5 EGBDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000764796005 1302138104 /nfs/dbraw/zinc/13/81/04/1302138104.db2.gz LOARFAYIPLBVAM-NSHDSACASA-N 1 2 327.296 3.292 20 5 EGBDLO C[C@H]1SCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000774634319 1303838073 /nfs/dbraw/zinc/83/80/73/1303838073.db2.gz DLSQDKAHQFWGEX-VHSXEESVSA-N 1 2 340.836 3.381 20 5 EGBDLO C[C@H]1SCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@H]1C ZINC000774634319 1303838079 /nfs/dbraw/zinc/83/80/79/1303838079.db2.gz DLSQDKAHQFWGEX-VHSXEESVSA-N 1 2 340.836 3.381 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1c[nH+]cn1C ZINC000780400987 1304686554 /nfs/dbraw/zinc/68/65/54/1304686554.db2.gz OLVJOEDXYCUSSB-UHFFFAOYSA-N 1 2 335.385 3.187 20 5 EGBDLO Cc1ccccc1CC(N)=[NH+]OCCOc1ccccc1[N+](=O)[O-] ZINC000782337169 1304957932 /nfs/dbraw/zinc/95/79/32/1304957932.db2.gz OTGSEBGGPDDYLZ-UHFFFAOYSA-N 1 2 329.356 3.023 20 5 EGBDLO CCCCC[N@H+](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C(C)C ZINC000794621669 1309557715 /nfs/dbraw/zinc/55/77/15/1309557715.db2.gz XJJYUTKRUHPPSX-UHFFFAOYSA-N 1 2 348.403 3.270 20 5 EGBDLO CCCCC[N@@H+](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C(C)C ZINC000794621669 1309557724 /nfs/dbraw/zinc/55/77/24/1309557724.db2.gz XJJYUTKRUHPPSX-UHFFFAOYSA-N 1 2 348.403 3.270 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000796114423 1309910977 /nfs/dbraw/zinc/91/09/77/1309910977.db2.gz RLLKWRFREKBWSH-UHFFFAOYSA-N 1 2 333.319 3.317 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000796114423 1309910982 /nfs/dbraw/zinc/91/09/82/1309910982.db2.gz RLLKWRFREKBWSH-UHFFFAOYSA-N 1 2 333.319 3.317 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(C3OCCO3)s2)cc1[N+](=O)[O-] ZINC000809624602 1317849329 /nfs/dbraw/zinc/84/93/29/1317849329.db2.gz MBQIHZFUMKZDSB-NSHDSACASA-N 1 2 349.412 3.256 20 5 EGBDLO O=C(OCCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811373843 1318164100 /nfs/dbraw/zinc/16/41/00/1318164100.db2.gz QMXONJUBQCIEER-UHFFFAOYSA-N 1 2 344.154 3.345 20 5 EGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811734413 1318245392 /nfs/dbraw/zinc/24/53/92/1318245392.db2.gz DYPWQLHLFMZSGO-KRWDZBQOSA-N 1 2 345.443 3.410 20 5 EGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811734413 1318245401 /nfs/dbraw/zinc/24/54/01/1318245401.db2.gz DYPWQLHLFMZSGO-KRWDZBQOSA-N 1 2 345.443 3.410 20 5 EGBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]1 ZINC000813330957 1318534597 /nfs/dbraw/zinc/53/45/97/1318534597.db2.gz KFDMUPBQORAKNM-SNVBAGLBSA-N 1 2 327.344 3.132 20 5 EGBDLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000822013300 1320047130 /nfs/dbraw/zinc/04/71/30/1320047130.db2.gz YRMWNFJBXDPZLZ-DLBZAZTESA-N 1 2 325.368 3.027 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C(=O)OCc2cc[nH+]c(N(C)C)c2)cc1Cl ZINC000838345115 1320763556 /nfs/dbraw/zinc/76/35/56/1320763556.db2.gz KGPIEAYDHMTRRV-UHFFFAOYSA-N 1 2 349.774 3.375 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2cncs2)CC1 ZINC000931359382 1329101771 /nfs/dbraw/zinc/10/17/71/1329101771.db2.gz MNSISYWYCLYFSR-CQSZACIVSA-N 1 2 346.456 3.239 20 5 EGBDLO Cc1cc(C)c(C(=O)N(C)CCNc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC001102061190 1364828807 /nfs/dbraw/zinc/82/88/07/1364828807.db2.gz IVSOQGIIFUGGNA-UHFFFAOYSA-N 1 2 342.399 3.099 20 5 EGBDLO O=c1oc2cc(O[C@@H]3CC[NH2+]CC3(F)F)ccc2c2ccc(O)cc12 ZINC001218011135 1373536492 /nfs/dbraw/zinc/53/64/92/1373536492.db2.gz UTFFVGLMBJGXRU-MRXNPFEDSA-N 1 2 347.317 3.028 20 5 EGBDLO CC/C(C)=C\C(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147490893 1379032735 /nfs/dbraw/zinc/03/27/35/1379032735.db2.gz PGGHZJSHKIEJLC-MLPAPPSSSA-N 1 2 349.456 3.047 20 5 EGBDLO CC/C(C)=C\C(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147490893 1379032736 /nfs/dbraw/zinc/03/27/36/1379032736.db2.gz PGGHZJSHKIEJLC-MLPAPPSSSA-N 1 2 349.456 3.047 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001327947019 1388630906 /nfs/dbraw/zinc/63/09/06/1388630906.db2.gz ZRMFRORBTVYKPF-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001327947019 1388630910 /nfs/dbraw/zinc/63/09/10/1388630910.db2.gz ZRMFRORBTVYKPF-QGZVFWFLSA-N 1 2 346.358 3.470 20 5 EGBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001167993473 1383790250 /nfs/dbraw/zinc/79/02/50/1383790250.db2.gz RQSJJRACSHHWEO-UHFFFAOYSA-N 1 2 343.293 3.453 20 5 EGBDLO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001173211197 1384936080 /nfs/dbraw/zinc/93/60/80/1384936080.db2.gz QYXQURUUDLETFE-CZUORRHYSA-N 1 2 336.432 3.482 20 5 EGBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001173233169 1384941771 /nfs/dbraw/zinc/94/17/71/1384941771.db2.gz JGXAUQLAIUGQNZ-CYBMUJFWSA-N 1 2 330.359 3.428 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3cc([N+](=O)[O-])ccc3F)c[nH+]2)C[C@H](C)O1 ZINC001175735352 1385389394 /nfs/dbraw/zinc/38/93/94/1385389394.db2.gz FDWALDKOXKEEOF-TXEJJXNPSA-N 1 2 346.362 3.486 20 5 EGBDLO COc1c(O)ccc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c1[N+](=O)[O-] ZINC001333741448 1390389384 /nfs/dbraw/zinc/38/93/84/1390389384.db2.gz QZRUCVDDBUXBPZ-CYBMUJFWSA-N 1 2 349.412 3.315 20 5 EGBDLO O=C(OCCc1cn2c([nH+]1)CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001346112280 1390908453 /nfs/dbraw/zinc/90/84/53/1390908453.db2.gz QPZQWQLMBUKOGM-UHFFFAOYSA-N 1 2 349.774 3.181 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000368563261 168373682 /nfs/dbraw/zinc/37/36/82/168373682.db2.gz SSSVMHKWDOVOGH-SJKOYZFVSA-N 1 2 328.372 3.081 20 5 EGBDLO CC[C@@]1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000081319464 217382194 /nfs/dbraw/zinc/38/21/94/217382194.db2.gz YWSONOBHDCJXIL-SFHVURJKSA-N 1 2 342.399 3.433 20 5 EGBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000265110701 247211687 /nfs/dbraw/zinc/21/16/87/247211687.db2.gz HMJRECILOFPHOR-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000349896918 285096912 /nfs/dbraw/zinc/09/69/12/285096912.db2.gz XAOWBCBRISKMSA-UHFFFAOYSA-N 1 2 338.342 3.482 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000352925421 141270506 /nfs/dbraw/zinc/27/05/06/141270506.db2.gz PGMDMNLNQGVUDE-CYBMUJFWSA-N 1 2 336.285 3.013 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000352925421 141270508 /nfs/dbraw/zinc/27/05/08/141270508.db2.gz PGMDMNLNQGVUDE-CYBMUJFWSA-N 1 2 336.285 3.013 20 5 EGBDLO CCOC(=O)[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000352946614 141275156 /nfs/dbraw/zinc/27/51/56/141275156.db2.gz MTDWICCGPXGKFZ-HNNXBMFYSA-N 1 2 346.408 3.319 20 5 EGBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000352946614 141275158 /nfs/dbraw/zinc/27/51/58/141275158.db2.gz MTDWICCGPXGKFZ-HNNXBMFYSA-N 1 2 346.408 3.319 20 5 EGBDLO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000173367807 144040395 /nfs/dbraw/zinc/04/03/95/144040395.db2.gz HOHIDMAQSHPYMU-VXGBXAGGSA-N 1 2 339.355 3.452 20 5 EGBDLO C[C@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)S1=O ZINC000361651063 144343397 /nfs/dbraw/zinc/34/33/97/144343397.db2.gz COKBJJFQZQSDRH-STQMWFEESA-N 1 2 348.424 3.196 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000341582607 155365797 /nfs/dbraw/zinc/36/57/97/155365797.db2.gz GGYRZTFSOIZVQF-LLVKDONJSA-N 1 2 346.284 3.251 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000372814274 157391277 /nfs/dbraw/zinc/39/12/77/157391277.db2.gz YVAPCBJLRGPMHN-QGZVFWFLSA-N 1 2 332.356 3.160 20 5 EGBDLO CCOc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000372814274 157391280 /nfs/dbraw/zinc/39/12/80/157391280.db2.gz YVAPCBJLRGPMHN-QGZVFWFLSA-N 1 2 332.356 3.160 20 5 EGBDLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000337146651 163144581 /nfs/dbraw/zinc/14/45/81/163144581.db2.gz PSDXXYPVIRZYKH-UHFFFAOYSA-N 1 2 336.351 3.116 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)cs1 ZINC000337204019 163162100 /nfs/dbraw/zinc/16/21/00/163162100.db2.gz HHMGUGQBQVJHFE-NSHDSACASA-N 1 2 330.768 3.272 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000338645363 163303384 /nfs/dbraw/zinc/30/33/84/163303384.db2.gz ZLLLEORCXQVRSG-UHFFFAOYSA-N 1 2 328.372 3.211 20 5 EGBDLO CC1CCC(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000343924543 164066934 /nfs/dbraw/zinc/06/69/34/164066934.db2.gz HQJVVZROVBMMOQ-UHFFFAOYSA-N 1 2 345.443 3.254 20 5 EGBDLO CC1CCC(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000343924543 164066937 /nfs/dbraw/zinc/06/69/37/164066937.db2.gz HQJVVZROVBMMOQ-UHFFFAOYSA-N 1 2 345.443 3.254 20 5 EGBDLO Cc1cc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000344105663 164104268 /nfs/dbraw/zinc/10/42/68/164104268.db2.gz NGKFEZHKTJSEDH-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO CCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000344342625 164161119 /nfs/dbraw/zinc/16/11/19/164161119.db2.gz FFMUUALQQYGVJL-UHFFFAOYSA-N 1 2 342.399 3.481 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccco1)C(C)C ZINC000346350437 164373025 /nfs/dbraw/zinc/37/30/25/164373025.db2.gz RQGWUFBILCYCPO-UHFFFAOYSA-N 1 2 331.372 3.345 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccco1)C(C)C ZINC000346350437 164373026 /nfs/dbraw/zinc/37/30/26/164373026.db2.gz RQGWUFBILCYCPO-UHFFFAOYSA-N 1 2 331.372 3.345 20 5 EGBDLO COc1ccccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352251949 165311070 /nfs/dbraw/zinc/31/10/70/165311070.db2.gz VYJBQFUALKBNCB-UHFFFAOYSA-N 1 2 326.356 3.112 20 5 EGBDLO COc1ccccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352251949 165311075 /nfs/dbraw/zinc/31/10/75/165311075.db2.gz VYJBQFUALKBNCB-UHFFFAOYSA-N 1 2 326.356 3.112 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cn2c1 ZINC000356926906 166538992 /nfs/dbraw/zinc/53/89/92/166538992.db2.gz RCZHBGGNVFSHRH-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO Cc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000359882022 167256611 /nfs/dbraw/zinc/25/66/11/167256611.db2.gz SAFKKPDLSIGXGQ-UHFFFAOYSA-N 1 2 345.374 3.070 20 5 EGBDLO Cc1cc(F)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000178436561 265315879 /nfs/dbraw/zinc/31/58/79/265315879.db2.gz HXIARXDUPZUCNO-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO C[C@H](c1nccs1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000274275300 267209848 /nfs/dbraw/zinc/20/98/48/267209848.db2.gz BQHWVVMXPRUCCP-UONOGXRCSA-N 1 2 346.456 3.491 20 5 EGBDLO COc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000274347487 267221111 /nfs/dbraw/zinc/22/11/11/267221111.db2.gz WIPIWYPYENUVNV-UHFFFAOYSA-N 1 2 334.269 3.437 20 5 EGBDLO COc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000274347487 267221112 /nfs/dbraw/zinc/22/11/12/267221112.db2.gz WIPIWYPYENUVNV-UHFFFAOYSA-N 1 2 334.269 3.437 20 5 EGBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000353494775 273826013 /nfs/dbraw/zinc/82/60/13/273826013.db2.gz FGBWRSPTTJZNGV-UHFFFAOYSA-N 1 2 326.312 3.054 20 5 EGBDLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046599215 275137852 /nfs/dbraw/zinc/13/78/52/275137852.db2.gz FDWNWDYEFJVBGJ-HNNXBMFYSA-N 1 2 341.411 3.468 20 5 EGBDLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000046599215 275137854 /nfs/dbraw/zinc/13/78/54/275137854.db2.gz FDWNWDYEFJVBGJ-HNNXBMFYSA-N 1 2 341.411 3.468 20 5 EGBDLO CC(C)(CO)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339130004 275550082 /nfs/dbraw/zinc/55/00/82/275550082.db2.gz IHXRAGKOLOGMJW-KRWDZBQOSA-N 1 2 330.384 3.150 20 5 EGBDLO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nc(C2CC2)no1 ZINC000282631347 275655477 /nfs/dbraw/zinc/65/54/77/275655477.db2.gz AWLMUSNRIBEDMJ-AWEZNQCLSA-N 1 2 334.351 3.481 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000283886297 275758583 /nfs/dbraw/zinc/75/85/83/275758583.db2.gz AUDFQYLRYUNDGS-SECBINFHSA-N 1 2 336.373 3.373 20 5 EGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000287255992 276101418 /nfs/dbraw/zinc/10/14/18/276101418.db2.gz HCJFJZWLFPPPJY-JQWIXIFHSA-N 1 2 341.433 3.144 20 5 EGBDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000287255992 276101419 /nfs/dbraw/zinc/10/14/19/276101419.db2.gz HCJFJZWLFPPPJY-JQWIXIFHSA-N 1 2 341.433 3.144 20 5 EGBDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000287645081 276143544 /nfs/dbraw/zinc/14/35/44/276143544.db2.gz VXFULLTWLGEITL-UHFFFAOYSA-N 1 2 328.372 3.313 20 5 EGBDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1O ZINC000289307767 276319745 /nfs/dbraw/zinc/31/97/45/276319745.db2.gz CHHXJTIZHAHRPC-LBPRGKRZSA-N 1 2 333.215 3.494 20 5 EGBDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[C@@H]1O ZINC000289307767 276319746 /nfs/dbraw/zinc/31/97/46/276319746.db2.gz CHHXJTIZHAHRPC-LBPRGKRZSA-N 1 2 333.215 3.494 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000292574843 276828752 /nfs/dbraw/zinc/82/87/52/276828752.db2.gz TYSKZWJXKLCXQS-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000097167426 277702110 /nfs/dbraw/zinc/70/21/10/277702110.db2.gz GLUGLRQKEZJENO-CHWSQXEVSA-N 1 2 342.399 3.335 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000377272215 278036456 /nfs/dbraw/zinc/03/64/56/278036456.db2.gz AJRLQZIYPIGDCM-KSSFIOAISA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000377272215 278036458 /nfs/dbraw/zinc/03/64/58/278036458.db2.gz AJRLQZIYPIGDCM-KSSFIOAISA-N 1 2 334.416 3.098 20 5 EGBDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123904945 290253742 /nfs/dbraw/zinc/25/37/42/290253742.db2.gz YLMNFUVPIMIJIK-GFCCVEGCSA-N 1 2 347.802 3.297 20 5 EGBDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123904945 290253745 /nfs/dbraw/zinc/25/37/45/290253745.db2.gz YLMNFUVPIMIJIK-GFCCVEGCSA-N 1 2 347.802 3.297 20 5 EGBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000073616238 307387201 /nfs/dbraw/zinc/38/72/01/307387201.db2.gz ZKXWKQJYOCCVJT-UHFFFAOYSA-N 1 2 336.395 3.472 20 5 EGBDLO COC[C@]1(C)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000294848103 308263889 /nfs/dbraw/zinc/26/38/89/308263889.db2.gz ATQAHUDWDAKNPW-GOSISDBHSA-N 1 2 342.399 3.223 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccccn1 ZINC000295174242 308299578 /nfs/dbraw/zinc/29/95/78/308299578.db2.gz OVCRLEBWHYKFJQ-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccn1 ZINC000295174242 308299579 /nfs/dbraw/zinc/29/95/79/308299579.db2.gz OVCRLEBWHYKFJQ-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299566918 308679700 /nfs/dbraw/zinc/67/97/00/308679700.db2.gz AZYAEBWWYYGTMJ-ZDUSSCGKSA-N 1 2 340.339 3.432 20 5 EGBDLO CN(C)C(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000413133773 309017682 /nfs/dbraw/zinc/01/76/82/309017682.db2.gz DEPCGMIODVQEBU-UHFFFAOYSA-N 1 2 342.399 3.204 20 5 EGBDLO CC(C)(C)OC(=O)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413175510 309019761 /nfs/dbraw/zinc/01/97/61/309019761.db2.gz FVSRLENCGUVJQK-UHFFFAOYSA-N 1 2 331.372 3.099 20 5 EGBDLO Cc1cc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000420817037 309296471 /nfs/dbraw/zinc/29/64/71/309296471.db2.gz JXMLXTCHQLUEJH-CYBMUJFWSA-N 1 2 328.372 3.167 20 5 EGBDLO COc1cc[nH+]cc1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000431419673 309632408 /nfs/dbraw/zinc/63/24/08/309632408.db2.gz HOCNFJLSKGPMJF-UHFFFAOYSA-N 1 2 328.250 3.024 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449416049 310060141 /nfs/dbraw/zinc/06/01/41/310060141.db2.gz RLTREFMWJVBGHL-IQIBNGDESA-N 1 2 326.400 3.425 20 5 EGBDLO CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449885211 310092372 /nfs/dbraw/zinc/09/23/72/310092372.db2.gz SBAQREZRRWKITH-AWEZNQCLSA-N 1 2 342.399 3.433 20 5 EGBDLO CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450012238 310098808 /nfs/dbraw/zinc/09/88/08/310098808.db2.gz ZBAMKYKSOQHHKK-TZMCWYRMSA-N 1 2 328.372 3.041 20 5 EGBDLO CC[C@@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450102903 310103576 /nfs/dbraw/zinc/10/35/76/310103576.db2.gz SLARUSOMKRANJQ-KRWDZBQOSA-N 1 2 328.372 3.043 20 5 EGBDLO CC(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000450256639 310111430 /nfs/dbraw/zinc/11/14/30/310111430.db2.gz HZDYMTUEXGQTHT-UHFFFAOYSA-N 1 2 339.395 3.120 20 5 EGBDLO C[C@@H](c1csnn1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450461517 310124128 /nfs/dbraw/zinc/12/41/28/310124128.db2.gz WCMPQLNHEYYNIS-NSHDSACASA-N 1 2 334.401 3.051 20 5 EGBDLO C[C@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450837027 310145124 /nfs/dbraw/zinc/14/51/24/310145124.db2.gz ZXKGJSLGSRFLCS-CBAPKCEASA-N 1 2 327.266 3.323 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000470177873 310719477 /nfs/dbraw/zinc/71/94/77/310719477.db2.gz VIKUJERFEMPABA-UKTHLTGXSA-N 1 2 343.349 3.178 20 5 EGBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000491939606 311200684 /nfs/dbraw/zinc/20/06/84/311200684.db2.gz OTZBPINNZWPGSX-FNORWQNLSA-N 1 2 326.287 3.034 20 5 EGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000077320363 454090647 /nfs/dbraw/zinc/09/06/47/454090647.db2.gz LOVQWTHIHVITQG-GHMZBOCLSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000077320363 454090650 /nfs/dbraw/zinc/09/06/50/454090650.db2.gz LOVQWTHIHVITQG-GHMZBOCLSA-N 1 2 325.796 3.307 20 5 EGBDLO Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)c[nH+]1 ZINC000535772861 314072477 /nfs/dbraw/zinc/07/24/77/314072477.db2.gz USNLNTVDNBWDTI-UHFFFAOYSA-N 1 2 340.383 3.225 20 5 EGBDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000538569537 314255188 /nfs/dbraw/zinc/25/51/88/314255188.db2.gz CYKXBGDWSWUOII-UHFFFAOYSA-N 1 2 342.395 3.121 20 5 EGBDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000538569537 314255190 /nfs/dbraw/zinc/25/51/90/314255190.db2.gz CYKXBGDWSWUOII-UHFFFAOYSA-N 1 2 342.395 3.121 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000540326844 314374460 /nfs/dbraw/zinc/37/44/60/314374460.db2.gz ZGOOWZSIUXPUAL-NSHDSACASA-N 1 2 349.337 3.471 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000549718052 315102071 /nfs/dbraw/zinc/10/20/71/315102071.db2.gz STESWVDKNOITHY-LJQANCHMSA-N 1 2 340.379 3.270 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000549718052 315102072 /nfs/dbraw/zinc/10/20/72/315102072.db2.gz STESWVDKNOITHY-LJQANCHMSA-N 1 2 340.379 3.270 20 5 EGBDLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092971814 454662649 /nfs/dbraw/zinc/66/26/49/454662649.db2.gz PSCBXZRWRTUWTN-GXFFZTMASA-N 1 2 343.221 3.093 20 5 EGBDLO Cc1n[nH]cc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174425491 323306719 /nfs/dbraw/zinc/30/67/19/323306719.db2.gz SKPMIUFIRZQYCB-UHFFFAOYSA-N 1 2 329.385 3.040 20 5 EGBDLO Cn1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)cn1 ZINC000180826005 455252122 /nfs/dbraw/zinc/25/21/22/455252122.db2.gz LXQRIKIHNWCEGS-GOSISDBHSA-N 1 2 340.358 3.347 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000173345702 455269931 /nfs/dbraw/zinc/26/99/31/455269931.db2.gz KXYLYWWKBOVYRC-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000173345702 455269935 /nfs/dbraw/zinc/26/99/35/455269935.db2.gz KXYLYWWKBOVYRC-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccsc1 ZINC000007926926 453133336 /nfs/dbraw/zinc/13/33/36/453133336.db2.gz KJLMYDOLXJDDQS-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccsc1 ZINC000007926926 453133348 /nfs/dbraw/zinc/13/33/48/453133348.db2.gz KJLMYDOLXJDDQS-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000612345183 460600677 /nfs/dbraw/zinc/60/06/77/460600677.db2.gz CWFCHEOLHPCOET-UHFFFAOYSA-N 1 2 326.312 3.054 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025409180 453770022 /nfs/dbraw/zinc/77/00/22/453770022.db2.gz PJXBMPSIPYCZCX-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025409180 453770026 /nfs/dbraw/zinc/77/00/26/453770026.db2.gz PJXBMPSIPYCZCX-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO CC[N@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000026305408 453795899 /nfs/dbraw/zinc/79/58/99/453795899.db2.gz KBDIXAXDARXLNN-UHFFFAOYSA-N 1 2 341.411 3.170 20 5 EGBDLO CC[N@@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000026305408 453795900 /nfs/dbraw/zinc/79/59/00/453795900.db2.gz KBDIXAXDARXLNN-UHFFFAOYSA-N 1 2 341.411 3.170 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000028174530 453822404 /nfs/dbraw/zinc/82/24/04/453822404.db2.gz BLAKDTGRQOAOPU-LBPRGKRZSA-N 1 2 345.424 3.350 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000028174530 453822405 /nfs/dbraw/zinc/82/24/05/453822405.db2.gz BLAKDTGRQOAOPU-LBPRGKRZSA-N 1 2 345.424 3.350 20 5 EGBDLO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000030141972 453833813 /nfs/dbraw/zinc/83/38/13/453833813.db2.gz ILLAJSLOAHXATJ-NSHDSACASA-N 1 2 325.796 3.309 20 5 EGBDLO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000030141972 453833814 /nfs/dbraw/zinc/83/38/14/453833814.db2.gz ILLAJSLOAHXATJ-NSHDSACASA-N 1 2 325.796 3.309 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccccn1)C(C)C ZINC000052832625 453846424 /nfs/dbraw/zinc/84/64/24/453846424.db2.gz BREROGWGSNGCEE-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccccn1)C(C)C ZINC000052832625 453846426 /nfs/dbraw/zinc/84/64/26/453846426.db2.gz BREROGWGSNGCEE-UHFFFAOYSA-N 1 2 342.399 3.147 20 5 EGBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000067114093 453903656 /nfs/dbraw/zinc/90/36/56/453903656.db2.gz WXYBWZSHUPKOSO-CYBMUJFWSA-N 1 2 330.388 3.287 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(NCc3ccc(-n4cc[nH+]c4)nc3)ccc2c1 ZINC000076575929 454017123 /nfs/dbraw/zinc/01/71/23/454017123.db2.gz HYWYAKHYLIIXBB-UHFFFAOYSA-N 1 2 346.350 3.336 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(NCCc3cn4ccccc4[nH+]3)ccc2c1 ZINC000076579990 454017237 /nfs/dbraw/zinc/01/72/37/454017237.db2.gz DVSSDZKQKDMSFW-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO CC1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)c[nH+]2)CC1 ZINC000076827299 454040729 /nfs/dbraw/zinc/04/07/29/454040729.db2.gz LQKDWCVENSYYSH-UHFFFAOYSA-N 1 2 327.388 3.233 20 5 EGBDLO CCCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000045368028 454155146 /nfs/dbraw/zinc/15/51/46/454155146.db2.gz DRTZRPIYTTXFPM-UHFFFAOYSA-N 1 2 328.372 3.185 20 5 EGBDLO O=C(CCC1CCCC1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000045769465 454180609 /nfs/dbraw/zinc/18/06/09/454180609.db2.gz DMFDTPJECBPHSK-UHFFFAOYSA-N 1 2 345.443 3.209 20 5 EGBDLO CC(C)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000078435267 454253083 /nfs/dbraw/zinc/25/30/83/454253083.db2.gz FBNWUWCJIUZWIL-UHFFFAOYSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000063507367 454419364 /nfs/dbraw/zinc/41/93/64/454419364.db2.gz HDDIOMCKQOHBKR-AWEZNQCLSA-N 1 2 328.372 3.007 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000063507367 454419371 /nfs/dbraw/zinc/41/93/71/454419371.db2.gz HDDIOMCKQOHBKR-AWEZNQCLSA-N 1 2 328.372 3.007 20 5 EGBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000091901733 454487770 /nfs/dbraw/zinc/48/77/70/454487770.db2.gz XQOVJTLJTQJTDZ-VQHVLOKHSA-N 1 2 325.368 3.179 20 5 EGBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000091901733 454487777 /nfs/dbraw/zinc/48/77/77/454487777.db2.gz XQOVJTLJTQJTDZ-VQHVLOKHSA-N 1 2 325.368 3.179 20 5 EGBDLO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000105349951 454636242 /nfs/dbraw/zinc/63/62/42/454636242.db2.gz YDVCILVGKVTNPM-UHFFFAOYSA-N 1 2 349.778 3.314 20 5 EGBDLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092971814 454662645 /nfs/dbraw/zinc/66/26/45/454662645.db2.gz PSCBXZRWRTUWTN-GXFFZTMASA-N 1 2 343.221 3.093 20 5 EGBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005520 454672287 /nfs/dbraw/zinc/67/22/87/454672287.db2.gz UXVMHBIABCQHNP-LBPRGKRZSA-N 1 2 341.433 3.098 20 5 EGBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005520 454672289 /nfs/dbraw/zinc/67/22/89/454672289.db2.gz UXVMHBIABCQHNP-LBPRGKRZSA-N 1 2 341.433 3.098 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000093341717 454705339 /nfs/dbraw/zinc/70/53/39/454705339.db2.gz AQBHWRXRQXSYGZ-GOSISDBHSA-N 1 2 328.368 3.048 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000093341717 454705343 /nfs/dbraw/zinc/70/53/43/454705343.db2.gz AQBHWRXRQXSYGZ-GOSISDBHSA-N 1 2 328.368 3.048 20 5 EGBDLO CC[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000152674627 454710144 /nfs/dbraw/zinc/71/01/44/454710144.db2.gz APTOZXBQWIOBOB-QGZVFWFLSA-N 1 2 337.383 3.416 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153301381 454780250 /nfs/dbraw/zinc/78/02/50/454780250.db2.gz AJNDPHYKDKHUBM-GASCZTMLSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153301381 454780256 /nfs/dbraw/zinc/78/02/56/454780256.db2.gz AJNDPHYKDKHUBM-GASCZTMLSA-N 1 2 345.443 3.349 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])c1C ZINC000177326454 454852030 /nfs/dbraw/zinc/85/20/30/454852030.db2.gz GEKKMFPDGWNFFY-UHFFFAOYSA-N 1 2 347.346 3.027 20 5 EGBDLO CC[N@H+](CCCNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000600966224 460660953 /nfs/dbraw/zinc/66/09/53/460660953.db2.gz KKCGSFHLJPWLNV-UHFFFAOYSA-N 1 2 345.374 3.380 20 5 EGBDLO CC[N@@H+](CCCNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000600966224 460660957 /nfs/dbraw/zinc/66/09/57/460660957.db2.gz KKCGSFHLJPWLNV-UHFFFAOYSA-N 1 2 345.374 3.380 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000268050249 455585743 /nfs/dbraw/zinc/58/57/43/455585743.db2.gz SDDPLQOWKOONSX-UHFFFAOYSA-N 1 2 332.429 3.072 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000268050249 455585745 /nfs/dbraw/zinc/58/57/45/455585745.db2.gz SDDPLQOWKOONSX-UHFFFAOYSA-N 1 2 332.429 3.072 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000247353804 455591451 /nfs/dbraw/zinc/59/14/51/455591451.db2.gz WZGWCGANBLQJOJ-UHFFFAOYSA-N 1 2 329.747 3.441 20 5 EGBDLO Cc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000186415279 455763401 /nfs/dbraw/zinc/76/34/01/455763401.db2.gz DVTWJJIWYVUALK-UHFFFAOYSA-N 1 2 333.388 3.496 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000269044562 455773346 /nfs/dbraw/zinc/77/33/46/455773346.db2.gz MBQOFJYALIITBA-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000269044562 455773351 /nfs/dbraw/zinc/77/33/51/455773351.db2.gz MBQOFJYALIITBA-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000269044562 455773354 /nfs/dbraw/zinc/77/33/54/455773354.db2.gz MBQOFJYALIITBA-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000269044562 455773359 /nfs/dbraw/zinc/77/33/59/455773359.db2.gz MBQOFJYALIITBA-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000269044562 455773362 /nfs/dbraw/zinc/77/33/62/455773362.db2.gz MBQOFJYALIITBA-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000269044562 455773365 /nfs/dbraw/zinc/77/33/65/455773365.db2.gz MBQOFJYALIITBA-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1cc(N[C@@H](C)CCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000296409184 455930487 /nfs/dbraw/zinc/93/04/87/455930487.db2.gz WKAKDYWEJYAXBJ-LBPRGKRZSA-N 1 2 330.388 3.323 20 5 EGBDLO COc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000301370375 456100264 /nfs/dbraw/zinc/10/02/64/456100264.db2.gz PDYYQINNFPFUCM-UHFFFAOYSA-N 1 2 338.367 3.460 20 5 EGBDLO Cc1cc(NCCc2cscn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301546339 456143864 /nfs/dbraw/zinc/14/38/64/456143864.db2.gz PDKFFJOWMRKFSU-UHFFFAOYSA-N 1 2 341.396 3.471 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271217400 456179570 /nfs/dbraw/zinc/17/95/70/456179570.db2.gz XICLUQLLQNTMKX-IPKGXFCISA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271217400 456179574 /nfs/dbraw/zinc/17/95/74/456179574.db2.gz XICLUQLLQNTMKX-IPKGXFCISA-N 1 2 348.424 3.196 20 5 EGBDLO Nc1nc(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)ncc1[N+](=O)[O-] ZINC000301777081 456212600 /nfs/dbraw/zinc/21/26/00/456212600.db2.gz RHZXDLSNUVYFGS-UHFFFAOYSA-N 1 2 347.338 3.050 20 5 EGBDLO CC(C)[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275796392 456316493 /nfs/dbraw/zinc/31/64/93/456316493.db2.gz WITVECMKJWLBAF-UHFFFAOYSA-N 1 2 349.434 3.260 20 5 EGBDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000276272112 456430955 /nfs/dbraw/zinc/43/09/55/456430955.db2.gz CWWSJPDXEWNRMZ-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000276272112 456430960 /nfs/dbraw/zinc/43/09/60/456430960.db2.gz CWWSJPDXEWNRMZ-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1 ZINC000348065519 456451807 /nfs/dbraw/zinc/45/18/07/456451807.db2.gz BRUUXLSDACKVPG-UHFFFAOYSA-N 1 2 347.365 3.191 20 5 EGBDLO CC(C)[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276648224 456541440 /nfs/dbraw/zinc/54/14/40/456541440.db2.gz RRNBYERWYGOZBD-SMDDNHRTSA-N 1 2 348.428 3.312 20 5 EGBDLO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nc(C2CC2)no1 ZINC000282631352 456576013 /nfs/dbraw/zinc/57/60/13/456576013.db2.gz AWLMUSNRIBEDMJ-CQSZACIVSA-N 1 2 334.351 3.481 20 5 EGBDLO COc1cc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000338007790 456652912 /nfs/dbraw/zinc/65/29/12/456652912.db2.gz FUNYSGBKCFVULS-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO COc1cc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000338007790 456652917 /nfs/dbraw/zinc/65/29/17/456652917.db2.gz FUNYSGBKCFVULS-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO CN(C(=O)C[N@@H+]1CC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000348525595 456736555 /nfs/dbraw/zinc/73/65/55/456736555.db2.gz OCGHKCNCRIHXIJ-KRWDZBQOSA-N 1 2 325.368 3.005 20 5 EGBDLO CN(C(=O)C[N@H+]1CC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000348525595 456736566 /nfs/dbraw/zinc/73/65/66/456736566.db2.gz OCGHKCNCRIHXIJ-KRWDZBQOSA-N 1 2 325.368 3.005 20 5 EGBDLO CC[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000301244916 456832640 /nfs/dbraw/zinc/83/26/40/456832640.db2.gz KVHCDCKEPSJTNU-CZUORRHYSA-N 1 2 342.399 3.364 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(F)c1 ZINC000292060741 456844494 /nfs/dbraw/zinc/84/44/94/456844494.db2.gz COTQFPFTUXVCIY-LBPRGKRZSA-N 1 2 326.343 3.122 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(F)c1 ZINC000292060741 456844499 /nfs/dbraw/zinc/84/44/99/456844499.db2.gz COTQFPFTUXVCIY-LBPRGKRZSA-N 1 2 326.343 3.122 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000339082459 456932055 /nfs/dbraw/zinc/93/20/55/456932055.db2.gz YFPBNKZDVLLADT-OAHLLOKOSA-N 1 2 338.367 3.097 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000339082459 456932058 /nfs/dbraw/zinc/93/20/58/456932058.db2.gz YFPBNKZDVLLADT-OAHLLOKOSA-N 1 2 338.367 3.097 20 5 EGBDLO CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339085387 456933840 /nfs/dbraw/zinc/93/38/40/456933840.db2.gz VGAGIWUROWBETA-MRXNPFEDSA-N 1 2 330.384 3.074 20 5 EGBDLO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339085387 456933842 /nfs/dbraw/zinc/93/38/42/456933842.db2.gz VGAGIWUROWBETA-MRXNPFEDSA-N 1 2 330.384 3.074 20 5 EGBDLO CC[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000353869813 456942862 /nfs/dbraw/zinc/94/28/62/456942862.db2.gz LAFKLAQCGDYRII-HIFRSBDPSA-N 1 2 342.399 3.479 20 5 EGBDLO CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000353869815 456943330 /nfs/dbraw/zinc/94/33/30/456943330.db2.gz LAFKLAQCGDYRII-UKRRQHHQSA-N 1 2 342.399 3.479 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000354140759 457090643 /nfs/dbraw/zinc/09/06/43/457090643.db2.gz JPUJZCQODNOCLS-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000349978867 457130612 /nfs/dbraw/zinc/13/06/12/457130612.db2.gz VKYCTYVSVHNYSH-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000349978867 457130615 /nfs/dbraw/zinc/13/06/15/457130615.db2.gz VKYCTYVSVHNYSH-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000332019399 457290049 /nfs/dbraw/zinc/29/00/49/457290049.db2.gz FUUFSTSYYXHCHG-OAHLLOKOSA-N 1 2 333.388 3.036 20 5 EGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000332019399 457290053 /nfs/dbraw/zinc/29/00/53/457290053.db2.gz FUUFSTSYYXHCHG-OAHLLOKOSA-N 1 2 333.388 3.036 20 5 EGBDLO COCC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000356042704 457441244 /nfs/dbraw/zinc/44/12/44/457441244.db2.gz UDMQGMGXRCJPJY-UHFFFAOYSA-N 1 2 337.404 3.343 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000347596190 457536651 /nfs/dbraw/zinc/53/66/51/457536651.db2.gz PDQPHWOZQIQHHL-UHFFFAOYSA-N 1 2 334.401 3.140 20 5 EGBDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425421270 457545482 /nfs/dbraw/zinc/54/54/82/457545482.db2.gz NOBVVUGJMWOTPH-ZWNOBZJWSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425421270 457545487 /nfs/dbraw/zinc/54/54/87/457545487.db2.gz NOBVVUGJMWOTPH-ZWNOBZJWSA-N 1 2 343.221 3.093 20 5 EGBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425435893 457552905 /nfs/dbraw/zinc/55/29/05/457552905.db2.gz UQUJJDCABZGFHN-TXEJJXNPSA-N 1 2 339.189 3.053 20 5 EGBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425435893 457552915 /nfs/dbraw/zinc/55/29/15/457552915.db2.gz UQUJJDCABZGFHN-TXEJJXNPSA-N 1 2 339.189 3.053 20 5 EGBDLO Cc1ccc2[nH+]c(CNc3nc4ccccc4cc3[N+](=O)[O-])cn2c1 ZINC000357550711 457591269 /nfs/dbraw/zinc/59/12/69/457591269.db2.gz PVTHLRLTXXIBEH-UHFFFAOYSA-N 1 2 333.351 3.133 20 5 EGBDLO CC[C@@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nccs1 ZINC000361264182 457671494 /nfs/dbraw/zinc/67/14/94/457671494.db2.gz ZIMJBPRJENZFSE-OAHLLOKOSA-N 1 2 331.401 3.343 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000371042299 457769463 /nfs/dbraw/zinc/76/94/63/457769463.db2.gz IRFKBHKMQOGBKC-JTQLQIEISA-N 1 2 349.778 3.003 20 5 EGBDLO Cc1ccoc1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000426340040 457806951 /nfs/dbraw/zinc/80/69/51/457806951.db2.gz YFOJCOYHLSHWRL-INIZCTEOSA-N 1 2 326.356 3.109 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000375344598 457890508 /nfs/dbraw/zinc/89/05/08/457890508.db2.gz GXKWDIQQRPBCBI-AWEZNQCLSA-N 1 2 342.399 3.081 20 5 EGBDLO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000428925215 458232968 /nfs/dbraw/zinc/23/29/68/458232968.db2.gz FSAKRVJFNVEHBO-CYBMUJFWSA-N 1 2 348.321 3.015 20 5 EGBDLO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000428925215 458232974 /nfs/dbraw/zinc/23/29/74/458232974.db2.gz FSAKRVJFNVEHBO-CYBMUJFWSA-N 1 2 348.321 3.015 20 5 EGBDLO CN(C)c1[nH+]cccc1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436317216 458288613 /nfs/dbraw/zinc/28/86/13/458288613.db2.gz JLKLJNOUBNIOAC-UHFFFAOYSA-N 1 2 341.293 3.082 20 5 EGBDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000376550784 458335395 /nfs/dbraw/zinc/33/53/95/458335395.db2.gz GHWVNECIMPSEBJ-MLGOLLRUSA-N 1 2 342.355 3.481 20 5 EGBDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000376550784 458335399 /nfs/dbraw/zinc/33/53/99/458335399.db2.gz GHWVNECIMPSEBJ-MLGOLLRUSA-N 1 2 342.355 3.481 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000430204762 458421177 /nfs/dbraw/zinc/42/11/77/458421177.db2.gz HTTAECDXEHNEPU-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000437536243 458464433 /nfs/dbraw/zinc/46/44/33/458464433.db2.gz MLJFRIZYZIMPGR-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000437536243 458464436 /nfs/dbraw/zinc/46/44/36/458464436.db2.gz MLJFRIZYZIMPGR-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411697 458485404 /nfs/dbraw/zinc/48/54/04/458485404.db2.gz GVFUKMKDXXEPCS-CXAGYDPISA-N 1 2 340.383 3.011 20 5 EGBDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411697 458485408 /nfs/dbraw/zinc/48/54/08/458485408.db2.gz GVFUKMKDXXEPCS-CXAGYDPISA-N 1 2 340.383 3.011 20 5 EGBDLO Cc1cc(C)c(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000456868625 458807272 /nfs/dbraw/zinc/80/72/72/458807272.db2.gz XCYXRHBWVMIWCG-UHFFFAOYSA-N 1 2 342.399 3.115 20 5 EGBDLO CCC[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594511402 459069076 /nfs/dbraw/zinc/06/90/76/459069076.db2.gz MWCLUHYATZSOSF-HUUCEWRRSA-N 1 2 345.403 3.195 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(OC)cccc1OC ZINC000594967221 459198299 /nfs/dbraw/zinc/19/82/99/459198299.db2.gz IJKCGYOUVRCOCR-UHFFFAOYSA-N 1 2 346.383 3.301 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595294253 459269677 /nfs/dbraw/zinc/26/96/77/459269677.db2.gz XVSYOUSDKRNANS-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595294253 459269685 /nfs/dbraw/zinc/26/96/85/459269685.db2.gz XVSYOUSDKRNANS-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO Cc1noc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595298361 459270414 /nfs/dbraw/zinc/27/04/14/459270414.db2.gz QUZZKQUAPRDFDB-OAHLLOKOSA-N 1 2 349.362 3.212 20 5 EGBDLO Cc1noc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595298361 459270420 /nfs/dbraw/zinc/27/04/20/459270420.db2.gz QUZZKQUAPRDFDB-OAHLLOKOSA-N 1 2 349.362 3.212 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000595461046 459310079 /nfs/dbraw/zinc/31/00/79/459310079.db2.gz KYUZOOAUCCISPG-UHFFFAOYSA-N 1 2 349.337 3.311 20 5 EGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C(F)(F)F)s1 ZINC000595475977 459316275 /nfs/dbraw/zinc/31/62/75/459316275.db2.gz LEKKGECLJYEOAV-UHFFFAOYSA-N 1 2 346.334 3.140 20 5 EGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C(F)(F)F)s1 ZINC000595475977 459316281 /nfs/dbraw/zinc/31/62/81/459316281.db2.gz LEKKGECLJYEOAV-UHFFFAOYSA-N 1 2 346.334 3.140 20 5 EGBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000595529731 459335189 /nfs/dbraw/zinc/33/51/89/459335189.db2.gz ZGRQIZHFXRQESN-UHFFFAOYSA-N 1 2 336.779 3.077 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000483990078 459400374 /nfs/dbraw/zinc/40/03/74/459400374.db2.gz CAPABJQHKGKJRI-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000483990078 459400380 /nfs/dbraw/zinc/40/03/80/459400380.db2.gz CAPABJQHKGKJRI-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO O=C1CCCC12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000595807542 459448312 /nfs/dbraw/zinc/44/83/12/459448312.db2.gz PYHHYDMKJCXPFP-UHFFFAOYSA-N 1 2 329.356 3.071 20 5 EGBDLO Cc1cc(C)c2c(c1)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000485858212 459473437 /nfs/dbraw/zinc/47/34/37/459473437.db2.gz WEMZCBYRFZBEAN-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1cc(C)c2c(c1)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000485858212 459473439 /nfs/dbraw/zinc/47/34/39/459473439.db2.gz WEMZCBYRFZBEAN-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO C[C@H](Cn1cc[nH+]c1)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596079844 459511003 /nfs/dbraw/zinc/51/10/03/459511003.db2.gz ZRELYFANVLWQIK-SECBINFHSA-N 1 2 325.166 3.054 20 5 EGBDLO C[C@@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000596115241 459526654 /nfs/dbraw/zinc/52/66/54/459526654.db2.gz RRMVXMYEUYGWAH-MNOVXSKESA-N 1 2 329.347 3.054 20 5 EGBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000593058109 459759479 /nfs/dbraw/zinc/75/94/79/459759479.db2.gz JKJZLKBBPFILKI-LBPRGKRZSA-N 1 2 326.368 3.132 20 5 EGBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000593058109 459759483 /nfs/dbraw/zinc/75/94/83/459759483.db2.gz JKJZLKBBPFILKI-LBPRGKRZSA-N 1 2 326.368 3.132 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073485 459765129 /nfs/dbraw/zinc/76/51/29/459765129.db2.gz UQXRTVBXAGGLAE-NSHDSACASA-N 1 2 339.342 3.043 20 5 EGBDLO COCc1csc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000597144792 459851975 /nfs/dbraw/zinc/85/19/75/459851975.db2.gz BJHMHPRNGCUAKX-UHFFFAOYSA-N 1 2 334.397 3.066 20 5 EGBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[nH+]1 ZINC000566364507 459852156 /nfs/dbraw/zinc/85/21/56/459852156.db2.gz STWVKKWYKFAOAB-UHFFFAOYSA-N 1 2 346.387 3.079 20 5 EGBDLO CNc1c(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cccc1[N+](=O)[O-] ZINC000545907212 459869677 /nfs/dbraw/zinc/86/96/77/459869677.db2.gz ISIKHBLGZHGBIM-UHFFFAOYSA-N 1 2 337.339 3.279 20 5 EGBDLO Cn1ccnc1[C@@H](C1CC1)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602439269 459939725 /nfs/dbraw/zinc/93/97/25/459939725.db2.gz JXZHDMPADXZMFN-QGZVFWFLSA-N 1 2 326.400 3.444 20 5 EGBDLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602439269 459939729 /nfs/dbraw/zinc/93/97/29/459939729.db2.gz JXZHDMPADXZMFN-QGZVFWFLSA-N 1 2 326.400 3.444 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](C1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602439269 459939732 /nfs/dbraw/zinc/93/97/32/459939732.db2.gz JXZHDMPADXZMFN-QGZVFWFLSA-N 1 2 326.400 3.444 20 5 EGBDLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602475257 459958373 /nfs/dbraw/zinc/95/83/73/459958373.db2.gz RXNNABRJGPIXMZ-BDAKNGLRSA-N 1 2 349.250 3.154 20 5 EGBDLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602475257 459958375 /nfs/dbraw/zinc/95/83/75/459958375.db2.gz RXNNABRJGPIXMZ-BDAKNGLRSA-N 1 2 349.250 3.154 20 5 EGBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000589108501 460030749 /nfs/dbraw/zinc/03/07/49/460030749.db2.gz UXXMDXMPFOQXPC-UHFFFAOYSA-N 1 2 347.806 3.063 20 5 EGBDLO CO[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC000602653265 460045691 /nfs/dbraw/zinc/04/56/91/460045691.db2.gz CPWGDGZXXNQYJN-BDAKNGLRSA-N 1 2 349.250 3.418 20 5 EGBDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC000602653265 460045696 /nfs/dbraw/zinc/04/56/96/460045696.db2.gz CPWGDGZXXNQYJN-BDAKNGLRSA-N 1 2 349.250 3.418 20 5 EGBDLO CO[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1C ZINC000602683441 460063139 /nfs/dbraw/zinc/06/31/39/460063139.db2.gz AZBRCHKZIYVQAO-GZMMTYOYSA-N 1 2 349.250 3.276 20 5 EGBDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H]1C ZINC000602683441 460063143 /nfs/dbraw/zinc/06/31/43/460063143.db2.gz AZBRCHKZIYVQAO-GZMMTYOYSA-N 1 2 349.250 3.276 20 5 EGBDLO COc1cc(C[NH+]2CC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000602751382 460104274 /nfs/dbraw/zinc/10/42/74/460104274.db2.gz JYWKMQOSTGRVBN-UHFFFAOYSA-N 1 2 348.321 3.386 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000619531647 460376219 /nfs/dbraw/zinc/37/62/19/460376219.db2.gz WRSHONCYQOKMAT-LJQANCHMSA-N 1 2 342.395 3.485 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000619531647 460376223 /nfs/dbraw/zinc/37/62/23/460376223.db2.gz WRSHONCYQOKMAT-LJQANCHMSA-N 1 2 342.395 3.485 20 5 EGBDLO C[N@@H+]1CCO[C@@H](c2nc(-c3c4ccccc4nc4ccccc43)no2)C1 ZINC000624750434 461104025 /nfs/dbraw/zinc/10/40/25/461104025.db2.gz TZNBHSOHNNOSRG-QGZVFWFLSA-N 1 2 346.390 3.441 20 5 EGBDLO C[N@H+]1CCO[C@@H](c2nc(-c3c4ccccc4nc4ccccc43)no2)C1 ZINC000624750434 461104031 /nfs/dbraw/zinc/10/40/31/461104031.db2.gz TZNBHSOHNNOSRG-QGZVFWFLSA-N 1 2 346.390 3.441 20 5 EGBDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1Cl ZINC000357956082 536015827 /nfs/dbraw/zinc/01/58/27/536015827.db2.gz GKIYUWPRIXXPNA-UHFFFAOYSA-N 1 2 349.774 3.268 20 5 EGBDLO O=C(Oc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000042486993 1291443090 /nfs/dbraw/zinc/44/30/90/1291443090.db2.gz RSQDTJNSKVGUFV-UHFFFAOYSA-N 1 2 327.271 3.139 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC(C)(C)C1 ZINC000072827556 1292294328 /nfs/dbraw/zinc/29/43/28/1292294328.db2.gz FLNLZDBHVSEDQW-SNVBAGLBSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC(C)(C)C1 ZINC000072827556 1292294333 /nfs/dbraw/zinc/29/43/33/1292294333.db2.gz FLNLZDBHVSEDQW-SNVBAGLBSA-N 1 2 325.796 3.307 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000830594474 1292738599 /nfs/dbraw/zinc/73/85/99/1292738599.db2.gz WEXPWARWPDNLJL-GFCCVEGCSA-N 1 2 348.790 3.002 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000121782260 1293389090 /nfs/dbraw/zinc/38/90/90/1293389090.db2.gz VHSACGYNMHCBCH-KRWDZBQOSA-N 1 2 328.368 3.331 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000121782260 1293389099 /nfs/dbraw/zinc/38/90/99/1293389099.db2.gz VHSACGYNMHCBCH-KRWDZBQOSA-N 1 2 328.368 3.331 20 5 EGBDLO O=C(OCc1ccsc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174637123 1294512345 /nfs/dbraw/zinc/51/23/45/1294512345.db2.gz SJGUDORFOXRHKQ-UHFFFAOYSA-N 1 2 329.337 3.199 20 5 EGBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)[nH]1 ZINC000872050566 1296701839 /nfs/dbraw/zinc/70/18/39/1296701839.db2.gz CDYAALLITHHFKK-VHSXEESVSA-N 1 2 335.433 3.409 20 5 EGBDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000877817176 1299578834 /nfs/dbraw/zinc/57/88/34/1299578834.db2.gz TZCGRKDRFWGIMI-UHFFFAOYSA-N 1 2 325.368 3.112 20 5 EGBDLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000877817176 1299578836 /nfs/dbraw/zinc/57/88/36/1299578836.db2.gz TZCGRKDRFWGIMI-UHFFFAOYSA-N 1 2 325.368 3.112 20 5 EGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000755200847 1300298718 /nfs/dbraw/zinc/29/87/18/1300298718.db2.gz ZGSNWSMHNXMALV-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000755200847 1300298725 /nfs/dbraw/zinc/29/87/25/1300298725.db2.gz ZGSNWSMHNXMALV-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO CN(C)c1cc(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000755912081 1300415312 /nfs/dbraw/zinc/41/53/12/1300415312.db2.gz CTIHPIMATOBYEX-UHFFFAOYSA-N 1 2 343.383 3.077 20 5 EGBDLO Cc1cc([C@H]2CCC[N@@H+]2Cn2nc(C)c3ccc([N+](=O)[O-])cc32)on1 ZINC000761287771 1301435781 /nfs/dbraw/zinc/43/57/81/1301435781.db2.gz DXYJSQNSMWXFLN-OAHLLOKOSA-N 1 2 341.371 3.344 20 5 EGBDLO Cc1cc([C@H]2CCC[N@H+]2Cn2nc(C)c3ccc([N+](=O)[O-])cc32)on1 ZINC000761287771 1301435782 /nfs/dbraw/zinc/43/57/82/1301435782.db2.gz DXYJSQNSMWXFLN-OAHLLOKOSA-N 1 2 341.371 3.344 20 5 EGBDLO Cc1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)n1 ZINC000761770874 1301537791 /nfs/dbraw/zinc/53/77/91/1301537791.db2.gz AFKLMXJYENDRQM-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO O=[N+]([O-])c1c(Br)cc(F)cc1NCCCn1cc[nH+]c1 ZINC000881735135 1301709365 /nfs/dbraw/zinc/70/93/65/1301709365.db2.gz BQCAETRAHSBEHK-UHFFFAOYSA-N 1 2 343.156 3.195 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883003430 1302200703 /nfs/dbraw/zinc/20/07/03/1302200703.db2.gz PIUASCMWHSPNAQ-HNNXBMFYSA-N 1 2 340.387 3.170 20 5 EGBDLO O=C(c1cccc2[nH+]ccn21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000765400635 1302261150 /nfs/dbraw/zinc/26/11/50/1302261150.db2.gz IQIREMHERHEGEY-UHFFFAOYSA-N 1 2 336.351 3.047 20 5 EGBDLO O=C(c1ccccc1)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885935953 1303285559 /nfs/dbraw/zinc/28/55/59/1303285559.db2.gz WTKUKOJKAYRXGS-UHFFFAOYSA-N 1 2 325.368 3.085 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000886247582 1303412415 /nfs/dbraw/zinc/41/24/15/1303412415.db2.gz VGWCFYHKRHLMRX-QGZVFWFLSA-N 1 2 339.395 3.344 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000886247582 1303412418 /nfs/dbraw/zinc/41/24/18/1303412418.db2.gz VGWCFYHKRHLMRX-QGZVFWFLSA-N 1 2 339.395 3.344 20 5 EGBDLO CC1(C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCS1 ZINC000774637715 1303839429 /nfs/dbraw/zinc/83/94/29/1303839429.db2.gz OSJLSEBGZDOVFE-UHFFFAOYSA-N 1 2 340.836 3.383 20 5 EGBDLO CC1(C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCS1 ZINC000774637715 1303839433 /nfs/dbraw/zinc/83/94/33/1303839433.db2.gz OSJLSEBGZDOVFE-UHFFFAOYSA-N 1 2 340.836 3.383 20 5 EGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000776932049 1304221762 /nfs/dbraw/zinc/22/17/62/1304221762.db2.gz LAUHJCNCCKVPCB-UHFFFAOYSA-N 1 2 330.731 3.457 20 5 EGBDLO Cn1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc2cc(F)ccc21 ZINC000778087972 1304393818 /nfs/dbraw/zinc/39/38/18/1304393818.db2.gz OFPURXCMVIRHRI-UHFFFAOYSA-N 1 2 332.310 3.050 20 5 EGBDLO O=C(OCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000784307138 1305225676 /nfs/dbraw/zinc/22/56/76/1305225676.db2.gz XCZJOASTGJZNMY-UHFFFAOYSA-N 1 2 343.261 3.057 20 5 EGBDLO CC1(C)C[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC(C)(C)O1 ZINC000785514637 1305369808 /nfs/dbraw/zinc/36/98/08/1305369808.db2.gz CPIZFHBERLHNPD-UHFFFAOYSA-N 1 2 344.415 3.305 20 5 EGBDLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000789576378 1306187644 /nfs/dbraw/zinc/18/76/44/1306187644.db2.gz GVAPXGZOUAVCMS-ZOBUZTSGSA-N 1 2 348.443 3.483 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000896979352 1310116351 /nfs/dbraw/zinc/11/63/51/1310116351.db2.gz IQXXFXGUQLLTAY-CZUORRHYSA-N 1 2 342.399 3.131 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1F ZINC000801517364 1310951456 /nfs/dbraw/zinc/95/14/56/1310951456.db2.gz DLSUHZJVSJCVGH-NSHDSACASA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1F ZINC000801517364 1310951458 /nfs/dbraw/zinc/95/14/58/1310951458.db2.gz DLSUHZJVSJCVGH-NSHDSACASA-N 1 2 336.285 3.277 20 5 EGBDLO C[C@@H](c1ccc(F)nc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929154933 1328526190 /nfs/dbraw/zinc/52/61/90/1328526190.db2.gz WCNVBZHOIBKHJB-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO Cc1cscc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174307 1318511214 /nfs/dbraw/zinc/51/12/14/1318511214.db2.gz WUBLMZSVQBTRHR-HNNXBMFYSA-N 1 2 346.408 3.396 20 5 EGBDLO Cc1cscc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174307 1318511220 /nfs/dbraw/zinc/51/12/20/1318511220.db2.gz WUBLMZSVQBTRHR-HNNXBMFYSA-N 1 2 346.408 3.396 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1COc1ccc2c(c1)[nH+]c(C)n2C ZINC000864047999 1329594893 /nfs/dbraw/zinc/59/48/93/1329594893.db2.gz RROFWACOFJWBCI-UHFFFAOYSA-N 1 2 327.340 3.378 20 5 EGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000933166480 1329868597 /nfs/dbraw/zinc/86/85/97/1329868597.db2.gz UJROVTVSVDDXAK-GHMZBOCLSA-N 1 2 326.780 3.022 20 5 EGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000933166480 1329868598 /nfs/dbraw/zinc/86/85/98/1329868598.db2.gz UJROVTVSVDDXAK-GHMZBOCLSA-N 1 2 326.780 3.022 20 5 EGBDLO CC(C)=C(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029268591 1340964745 /nfs/dbraw/zinc/96/47/45/1340964745.db2.gz OVSWQEKXCQUCGE-IYBDPMFKSA-N 1 2 347.390 3.033 20 5 EGBDLO CC(C)=C(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029268591 1340964746 /nfs/dbraw/zinc/96/47/46/1340964746.db2.gz OVSWQEKXCQUCGE-IYBDPMFKSA-N 1 2 347.390 3.033 20 5 EGBDLO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)c1ncon1 ZINC001192028971 1367668445 /nfs/dbraw/zinc/66/84/45/1367668445.db2.gz JSKQUKQQZZIGHW-UHFFFAOYSA-N 1 2 347.378 3.398 20 5 EGBDLO CN(C)c1cc(CSCCOc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001116610982 1370946080 /nfs/dbraw/zinc/94/60/80/1370946080.db2.gz OMAIIUVTOZZZJV-UHFFFAOYSA-N 1 2 333.413 3.368 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c2ncnc(NCCCCn3cc[nH+]c3)c2c1 ZINC001118530109 1371193137 /nfs/dbraw/zinc/19/31/37/1371193137.db2.gz KMQQZBJUCQXLDL-UHFFFAOYSA-N 1 2 346.778 3.280 20 5 EGBDLO C[N@H+](CC(=O)OCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC001122717693 1372305804 /nfs/dbraw/zinc/30/58/04/1372305804.db2.gz MBGGGVQPTAOYSS-UHFFFAOYSA-N 1 2 348.786 3.423 20 5 EGBDLO C[N@@H+](CC(=O)OCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC001122717693 1372305806 /nfs/dbraw/zinc/30/58/06/1372305806.db2.gz MBGGGVQPTAOYSS-UHFFFAOYSA-N 1 2 348.786 3.423 20 5 EGBDLO CCOC(=O)c1cc(Nc2cc(C)[nH+]c(OC)c2)cc([N+](=O)[O-])c1 ZINC001211369718 1372542000 /nfs/dbraw/zinc/54/20/00/1372542000.db2.gz LAYBODUTKWMYBL-UHFFFAOYSA-N 1 2 331.328 3.227 20 5 EGBDLO CCc1c(Cl)cc([N+](=O)[O-])c(OC[C@@H]2C[N@H+](C)CCO2)c1Cl ZINC001228257429 1375535638 /nfs/dbraw/zinc/53/56/38/1375535638.db2.gz FMSMLCDMPUCBCL-VIFPVBQESA-N 1 2 349.214 3.173 20 5 EGBDLO CCc1c(Cl)cc([N+](=O)[O-])c(OC[C@@H]2C[N@@H+](C)CCO2)c1Cl ZINC001228257429 1375535641 /nfs/dbraw/zinc/53/56/41/1375535641.db2.gz FMSMLCDMPUCBCL-VIFPVBQESA-N 1 2 349.214 3.173 20 5 EGBDLO C=C/C(C)=C\CC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001228702065 1375643499 /nfs/dbraw/zinc/64/34/99/1375643499.db2.gz JKEQHXRSNXHYNN-PQMHYQBVSA-N 1 2 349.456 3.259 20 5 EGBDLO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C(F)(F)F ZINC001142769661 1378485772 /nfs/dbraw/zinc/48/57/72/1378485772.db2.gz ZLFFXKNFFIDDKZ-UHFFFAOYSA-N 1 2 349.312 3.457 20 5 EGBDLO CC/C=C(/C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147105821 1378969460 /nfs/dbraw/zinc/96/94/60/1378969460.db2.gz JLOHNZOGRKMDDQ-PQMHYQBVSA-N 1 2 349.456 3.047 20 5 EGBDLO CC/C=C(/C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147105821 1378969462 /nfs/dbraw/zinc/96/94/62/1378969462.db2.gz JLOHNZOGRKMDDQ-PQMHYQBVSA-N 1 2 349.456 3.047 20 5 EGBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001156775797 1380632730 /nfs/dbraw/zinc/63/27/30/1380632730.db2.gz LZMWDFYLRQIEHB-UHFFFAOYSA-N 1 2 343.774 3.465 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001156785012 1380635213 /nfs/dbraw/zinc/63/52/13/1380635213.db2.gz YJTITOABQJDLHY-UHFFFAOYSA-N 1 2 337.383 3.429 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2nccc(Cl)c2[N+](=O)[O-])c1 ZINC001162128170 1382633633 /nfs/dbraw/zinc/63/36/33/1382633633.db2.gz JNKDAZOUFTVXCS-UHFFFAOYSA-N 1 2 336.779 3.437 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCOc1ccc3c(c1)OCO3)C2 ZINC001322158341 1387081213 /nfs/dbraw/zinc/08/12/13/1387081213.db2.gz LGHNPJATUHUWMW-UHFFFAOYSA-N 1 2 342.351 3.108 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCOc1ccc3c(c1)OCO3)C2 ZINC001322158341 1387081215 /nfs/dbraw/zinc/08/12/15/1387081215.db2.gz LGHNPJATUHUWMW-UHFFFAOYSA-N 1 2 342.351 3.108 20 5 EGBDLO Cc1cc(C)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)[nH+]1 ZINC001339373031 1390010714 /nfs/dbraw/zinc/01/07/14/1390010714.db2.gz QZFDOAYDJKGNAS-UHFFFAOYSA-N 1 2 325.368 3.114 20 5 EGBDLO CC(C)CC(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001754622710 1440645600 /nfs/dbraw/zinc/64/56/00/1440645600.db2.gz CONDSPZKOVKFSZ-UHFFFAOYSA-N 1 2 339.461 3.173 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000069039629 215355531 /nfs/dbraw/zinc/35/55/31/215355531.db2.gz LWFRKNJSRJNHOM-QWRGUYRKSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000069039629 215355533 /nfs/dbraw/zinc/35/55/33/215355533.db2.gz LWFRKNJSRJNHOM-QWRGUYRKSA-N 1 2 325.796 3.307 20 5 EGBDLO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130386663 223148438 /nfs/dbraw/zinc/14/84/38/223148438.db2.gz PZWKPRVJCLWVSH-UHFFFAOYSA-N 1 2 334.807 3.455 20 5 EGBDLO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130386663 223148439 /nfs/dbraw/zinc/14/84/39/223148439.db2.gz PZWKPRVJCLWVSH-UHFFFAOYSA-N 1 2 334.807 3.455 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1NCCCn1cc[nH+]c1 ZINC000020302836 212117726 /nfs/dbraw/zinc/11/77/26/212117726.db2.gz HYFWYNDIBDEZES-UHFFFAOYSA-N 1 2 325.166 3.056 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC2(CCC2)C1 ZINC000347961340 296202335 /nfs/dbraw/zinc/20/23/35/296202335.db2.gz SDCYHTNTFOGOGB-UHFFFAOYSA-N 1 2 340.383 3.187 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(CC2)CC1 ZINC000378328650 169101449 /nfs/dbraw/zinc/10/14/49/169101449.db2.gz WPFDCPBYNLARSI-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO CC(C)[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000117194838 221036135 /nfs/dbraw/zinc/03/61/35/221036135.db2.gz QDHMAJMJHBVLBN-OAHLLOKOSA-N 1 2 342.399 3.431 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000353439093 141295093 /nfs/dbraw/zinc/29/50/93/141295093.db2.gz HPLPDNLSESTFFZ-KRWDZBQOSA-N 1 2 340.358 3.347 20 5 EGBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000118642764 152144705 /nfs/dbraw/zinc/14/47/05/152144705.db2.gz QHLVWPLBUMRPDD-UHFFFAOYSA-N 1 2 348.322 3.114 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000122178426 152395234 /nfs/dbraw/zinc/39/52/34/152395234.db2.gz VWNMJAMCSIWRKU-UHFFFAOYSA-N 1 2 327.319 3.235 20 5 EGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000337432137 154350355 /nfs/dbraw/zinc/35/03/55/154350355.db2.gz GJLCBFFODKDHBD-HNNXBMFYSA-N 1 2 341.411 3.246 20 5 EGBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000337432137 154350358 /nfs/dbraw/zinc/35/03/58/154350358.db2.gz GJLCBFFODKDHBD-HNNXBMFYSA-N 1 2 341.411 3.246 20 5 EGBDLO COc1cc(C[N@@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352618752 156384194 /nfs/dbraw/zinc/38/41/94/156384194.db2.gz UDOGYMYYVOSKCG-HNNXBMFYSA-N 1 2 348.321 3.181 20 5 EGBDLO COc1cc(C[N@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352618752 156384196 /nfs/dbraw/zinc/38/41/96/156384196.db2.gz UDOGYMYYVOSKCG-HNNXBMFYSA-N 1 2 348.321 3.181 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCCC3)nc1)CC2 ZINC000093338290 162004034 /nfs/dbraw/zinc/00/40/34/162004034.db2.gz JBUAYBXKCNDNQF-UHFFFAOYSA-N 1 2 338.411 3.148 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(N3CCCC3)nc1)CC2 ZINC000093338290 162004037 /nfs/dbraw/zinc/00/40/37/162004037.db2.gz JBUAYBXKCNDNQF-UHFFFAOYSA-N 1 2 338.411 3.148 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](CC2CC2)C1 ZINC000338807224 163352960 /nfs/dbraw/zinc/35/29/60/163352960.db2.gz DCWOUHZDUGVLII-QGZVFWFLSA-N 1 2 345.443 3.053 20 5 EGBDLO Cc1cccc2[nH+]c(CNc3nc4ccccc4cc3[N+](=O)[O-])cn21 ZINC000352358235 165360731 /nfs/dbraw/zinc/36/07/31/165360731.db2.gz XGTXDRULLGZOTQ-UHFFFAOYSA-N 1 2 333.351 3.133 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000359523000 167178548 /nfs/dbraw/zinc/17/85/48/167178548.db2.gz RYYXKMXBHHUKJQ-ZDUSSCGKSA-N 1 2 342.729 3.350 20 5 EGBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c[nH+]1 ZINC000360223960 167275951 /nfs/dbraw/zinc/27/59/51/167275951.db2.gz DFVOCTZSQXUOGS-UHFFFAOYSA-N 1 2 338.314 3.269 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1F ZINC000364961875 168006273 /nfs/dbraw/zinc/00/62/73/168006273.db2.gz KDNYVQPGYXCXFG-IBGZPJMESA-N 1 2 342.370 3.408 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1F ZINC000364961875 168006275 /nfs/dbraw/zinc/00/62/75/168006275.db2.gz KDNYVQPGYXCXFG-IBGZPJMESA-N 1 2 342.370 3.408 20 5 EGBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000171955034 227386446 /nfs/dbraw/zinc/38/64/46/227386446.db2.gz SLFYSBCPCXWUCA-SNVBAGLBSA-N 1 2 329.422 3.001 20 5 EGBDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000171955034 227386452 /nfs/dbraw/zinc/38/64/52/227386452.db2.gz SLFYSBCPCXWUCA-SNVBAGLBSA-N 1 2 329.422 3.001 20 5 EGBDLO CCc1oc(C(=O)OC)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000177021934 265223887 /nfs/dbraw/zinc/22/38/87/265223887.db2.gz VNLWDBSUSXMGCZ-UHFFFAOYSA-N 1 2 332.356 3.169 20 5 EGBDLO CCc1oc(C(=O)OC)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000177021934 265223889 /nfs/dbraw/zinc/22/38/89/265223889.db2.gz VNLWDBSUSXMGCZ-UHFFFAOYSA-N 1 2 332.356 3.169 20 5 EGBDLO O=C(c1ccc2[nH+]ccn2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179150274 265365241 /nfs/dbraw/zinc/36/52/41/265365241.db2.gz VLEPZOTZXLVXEG-UHFFFAOYSA-N 1 2 336.351 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(-c3cccc(-n4cc[nH+]c4)c3)n2)cc1 ZINC000345041388 275034693 /nfs/dbraw/zinc/03/46/93/275034693.db2.gz WWYBYEMOEQVCRR-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190038357 275220456 /nfs/dbraw/zinc/22/04/56/275220456.db2.gz OFSHPVAWKRIUCN-SFHVURJKSA-N 1 2 342.351 3.136 20 5 EGBDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190038357 275220457 /nfs/dbraw/zinc/22/04/57/275220457.db2.gz OFSHPVAWKRIUCN-SFHVURJKSA-N 1 2 342.351 3.136 20 5 EGBDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000278748200 275271241 /nfs/dbraw/zinc/27/12/41/275271241.db2.gz RXYTZVWZUIBNJD-GXFFZTMASA-N 1 2 326.356 3.477 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279792121 275359915 /nfs/dbraw/zinc/35/99/15/275359915.db2.gz OMLNLPFGHYYBGW-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279792121 275359916 /nfs/dbraw/zinc/35/99/16/275359916.db2.gz OMLNLPFGHYYBGW-LBPRGKRZSA-N 1 2 340.807 3.018 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000281734542 275571605 /nfs/dbraw/zinc/57/16/05/275571605.db2.gz IYAMVOFTJFSHCO-MRXNPFEDSA-N 1 2 342.399 3.487 20 5 EGBDLO CC1CCN(c2ccc(CNc3ccc(N)cc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000286213428 275965366 /nfs/dbraw/zinc/96/53/66/275965366.db2.gz GKOFRKMGJOAKMI-UHFFFAOYSA-N 1 2 341.415 3.420 20 5 EGBDLO CNC(=O)C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000361645756 277002466 /nfs/dbraw/zinc/00/24/66/277002466.db2.gz SXYJJIJYKVLJCE-HNNXBMFYSA-N 1 2 347.802 3.215 20 5 EGBDLO Cc1cc(NC[C@@H]2C[C@H](C)O[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413540469 309036454 /nfs/dbraw/zinc/03/64/54/309036454.db2.gz UYTSRHXMCPLZHS-GUTXKFCHSA-N 1 2 342.399 3.008 20 5 EGBDLO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413540478 309036483 /nfs/dbraw/zinc/03/64/83/309036483.db2.gz UYTSRHXMCPLZHS-NFAWXSAZSA-N 1 2 342.399 3.008 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])cc1OCC(F)F ZINC000293142981 308103231 /nfs/dbraw/zinc/10/32/31/308103231.db2.gz SXVFFNAFZRZZMW-LLVKDONJSA-N 1 2 348.321 3.181 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])cc1OCC(F)F ZINC000293142981 308103233 /nfs/dbraw/zinc/10/32/33/308103233.db2.gz SXVFFNAFZRZZMW-LLVKDONJSA-N 1 2 348.321 3.181 20 5 EGBDLO Cc1cc(NCC2(CO)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302298314 308735741 /nfs/dbraw/zinc/73/57/41/308735741.db2.gz YBAHWFIUATXMSW-UHFFFAOYSA-N 1 2 342.399 3.325 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000331921127 308821239 /nfs/dbraw/zinc/82/12/39/308821239.db2.gz CFJIXULRXWUALJ-UHFFFAOYSA-N 1 2 349.431 3.027 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000348727933 308884015 /nfs/dbraw/zinc/88/40/15/308884015.db2.gz INLLSVQVRYNOMB-UHFFFAOYSA-N 1 2 343.362 3.476 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419369693 309265600 /nfs/dbraw/zinc/26/56/00/309265600.db2.gz FRNCGZLTWDDSPV-OAHLLOKOSA-N 1 2 349.456 3.059 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419369693 309265601 /nfs/dbraw/zinc/26/56/01/309265601.db2.gz FRNCGZLTWDDSPV-OAHLLOKOSA-N 1 2 349.456 3.059 20 5 EGBDLO Cc1cc(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420650724 309291652 /nfs/dbraw/zinc/29/16/52/309291652.db2.gz INDSQBHFRPSPCU-UHFFFAOYSA-N 1 2 342.399 3.357 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420955885 309304092 /nfs/dbraw/zinc/30/40/92/309304092.db2.gz XELFZZAAPJEUFB-LLVKDONJSA-N 1 2 345.321 3.198 20 5 EGBDLO O=C(C[N@H+]1CCC[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420955885 309304093 /nfs/dbraw/zinc/30/40/93/309304093.db2.gz XELFZZAAPJEUFB-LLVKDONJSA-N 1 2 345.321 3.198 20 5 EGBDLO Cc1cc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000421919343 309346451 /nfs/dbraw/zinc/34/64/51/309346451.db2.gz MDZZTWKOCWPSAB-UHFFFAOYSA-N 1 2 342.399 3.115 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000441399494 309870928 /nfs/dbraw/zinc/87/09/28/309870928.db2.gz ZONJWZMFZDGWDJ-NSHDSACASA-N 1 2 349.328 3.174 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000443435453 309900978 /nfs/dbraw/zinc/90/09/78/309900978.db2.gz XVYBQXKMVCQABA-GFCCVEGCSA-N 1 2 333.348 3.125 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000447354400 309977637 /nfs/dbraw/zinc/97/76/37/309977637.db2.gz KBJNSBYMMGQQLR-UHFFFAOYSA-N 1 2 349.337 3.311 20 5 EGBDLO CCCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448662494 310011282 /nfs/dbraw/zinc/01/12/82/310011282.db2.gz AWVWBQXINKGTIL-UHFFFAOYSA-N 1 2 328.372 3.185 20 5 EGBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449663769 310078929 /nfs/dbraw/zinc/07/89/29/310078929.db2.gz PAIITWFOJOJFLP-SQWLQELKSA-N 1 2 334.416 3.236 20 5 EGBDLO CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450096451 310103109 /nfs/dbraw/zinc/10/31/09/310103109.db2.gz IIXJSIASEMZFJE-OCCSQVGLSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC(C)(C)C1 ZINC000450567765 310130562 /nfs/dbraw/zinc/13/05/62/310130562.db2.gz WFDNBXHRTPDXKZ-ZDUSSCGKSA-N 1 2 342.399 3.289 20 5 EGBDLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451554118 310186009 /nfs/dbraw/zinc/18/60/09/310186009.db2.gz ZHZDDKQHPCGALP-CQSZACIVSA-N 1 2 343.431 3.390 20 5 EGBDLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451554118 310186010 /nfs/dbraw/zinc/18/60/10/310186010.db2.gz ZHZDDKQHPCGALP-CQSZACIVSA-N 1 2 343.431 3.390 20 5 EGBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000453593181 310283284 /nfs/dbraw/zinc/28/32/84/310283284.db2.gz BDVUZSPKJXZCIZ-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000453593181 310283285 /nfs/dbraw/zinc/28/32/85/310283285.db2.gz BDVUZSPKJXZCIZ-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000456197253 310393039 /nfs/dbraw/zinc/39/30/39/310393039.db2.gz XSMQABJXXVLDPR-LBPRGKRZSA-N 1 2 343.387 3.197 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000456368744 310401739 /nfs/dbraw/zinc/40/17/39/310401739.db2.gz CLLIHUMVKRJDGJ-SNVBAGLBSA-N 1 2 334.401 3.024 20 5 EGBDLO CCC(O)(CC)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000472423556 310765473 /nfs/dbraw/zinc/76/54/73/310765473.db2.gz DKGUWNKPLZZNRG-UHFFFAOYSA-N 1 2 344.415 3.135 20 5 EGBDLO Cc1cc(N[C@@H](C)Cc2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000487626340 311031734 /nfs/dbraw/zinc/03/17/34/311031734.db2.gz HRZJOMAXEZSEEA-ZDUSSCGKSA-N 1 2 349.394 3.220 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000493046442 311321004 /nfs/dbraw/zinc/32/10/04/311321004.db2.gz DJFCXCRENCCSNZ-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000493046442 311321005 /nfs/dbraw/zinc/32/10/05/311321005.db2.gz DJFCXCRENCCSNZ-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(CCc3[nH]c4ccccc4[nH+]3)n2)c1 ZINC000504979364 312014024 /nfs/dbraw/zinc/01/40/24/312014024.db2.gz DAIBSGBGKCFRRQ-UHFFFAOYSA-N 1 2 335.323 3.306 20 5 EGBDLO Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000506567121 312051416 /nfs/dbraw/zinc/05/14/16/312051416.db2.gz BURXNSUGQOPZGX-UHFFFAOYSA-N 1 2 343.402 3.360 20 5 EGBDLO Cc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000506567121 312051417 /nfs/dbraw/zinc/05/14/17/312051417.db2.gz BURXNSUGQOPZGX-UHFFFAOYSA-N 1 2 343.402 3.360 20 5 EGBDLO O=C(C[NH2+]C1(C(F)F)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000510154293 312134106 /nfs/dbraw/zinc/13/41/06/312134106.db2.gz ICDOYECJWMRDSE-UHFFFAOYSA-N 1 2 327.331 3.091 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000511885631 312170877 /nfs/dbraw/zinc/17/08/77/312170877.db2.gz DMVAINZFFSOJAB-UHFFFAOYSA-N 1 2 327.365 3.441 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3F)c[nH+]2)C[C@@H](C)O1 ZINC000530374892 313526147 /nfs/dbraw/zinc/52/61/47/313526147.db2.gz CXUXEOMXRRIQRF-VXGBXAGGSA-N 1 2 346.362 3.486 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000536530599 314120193 /nfs/dbraw/zinc/12/01/93/314120193.db2.gz XBBNODSKLIHEJC-UHFFFAOYSA-N 1 2 348.428 3.114 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000539234438 314302211 /nfs/dbraw/zinc/30/22/11/314302211.db2.gz XYJSGSGPEPHDAB-NSHDSACASA-N 1 2 349.337 3.471 20 5 EGBDLO Cc1cc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549145771 315078279 /nfs/dbraw/zinc/07/82/79/315078279.db2.gz GDFDAZRDLIFKGL-UHFFFAOYSA-N 1 2 326.278 3.180 20 5 EGBDLO C[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000563581807 316041069 /nfs/dbraw/zinc/04/10/69/316041069.db2.gz NQUCPJVVDRRZSK-KEYYUXOJSA-N 1 2 342.399 3.005 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(C1CC1)C1CCCC1 ZINC000565933519 316389807 /nfs/dbraw/zinc/38/98/07/316389807.db2.gz DCHALNRIMSSQAR-UHFFFAOYSA-N 1 2 340.383 3.328 20 5 EGBDLO CC[C@@](C)(OC)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351120190 324173764 /nfs/dbraw/zinc/17/37/64/324173764.db2.gz FWAOPOIQTRWIHM-MRXNPFEDSA-N 1 2 343.343 3.102 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)c1c(F)cccc1F ZINC000579971308 325185715 /nfs/dbraw/zinc/18/57/15/325185715.db2.gz AIVRBBJBALBYJW-HUUCEWRRSA-N 1 2 334.322 3.184 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC[C@H]3C3CCC3)co2)cc1 ZINC000580950267 325313309 /nfs/dbraw/zinc/31/33/09/325313309.db2.gz KXERVJKMLMTGKS-KRWDZBQOSA-N 1 2 343.383 3.251 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC[C@H]3C3CCC3)co2)cc1 ZINC000580950267 325313311 /nfs/dbraw/zinc/31/33/11/325313311.db2.gz KXERVJKMLMTGKS-KRWDZBQOSA-N 1 2 343.383 3.251 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000265387507 455316507 /nfs/dbraw/zinc/31/65/07/455316507.db2.gz FCPWBJQVAFLHQT-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000265387507 455316510 /nfs/dbraw/zinc/31/65/10/455316510.db2.gz FCPWBJQVAFLHQT-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000007811816 453118535 /nfs/dbraw/zinc/11/85/35/453118535.db2.gz FTZWZERGRKLVCX-PHIMTYICSA-N 1 2 325.796 3.165 20 5 EGBDLO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000007811816 453118548 /nfs/dbraw/zinc/11/85/48/453118548.db2.gz FTZWZERGRKLVCX-PHIMTYICSA-N 1 2 325.796 3.165 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000008320626 453191987 /nfs/dbraw/zinc/19/19/87/453191987.db2.gz UEARFVYKOUAYML-AWEZNQCLSA-N 1 2 331.397 3.432 20 5 EGBDLO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000008320626 453191996 /nfs/dbraw/zinc/19/19/96/453191996.db2.gz UEARFVYKOUAYML-AWEZNQCLSA-N 1 2 331.397 3.432 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1-c1ccc(NCC2CCOCC2)[nH+]c1 ZINC000600788540 460604919 /nfs/dbraw/zinc/60/49/19/460604919.db2.gz DMXGZRFRBGQDRU-UHFFFAOYSA-N 1 2 331.347 3.056 20 5 EGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000015565980 453577310 /nfs/dbraw/zinc/57/73/10/453577310.db2.gz KGVRRKAQOKZRFZ-UHFFFAOYSA-N 1 2 346.412 3.290 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591665 453614015 /nfs/dbraw/zinc/61/40/15/453614015.db2.gz VNGUNYCVFUSARH-NSHDSACASA-N 1 2 345.321 3.116 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591665 453614017 /nfs/dbraw/zinc/61/40/17/453614017.db2.gz VNGUNYCVFUSARH-NSHDSACASA-N 1 2 345.321 3.116 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000025411666 453770771 /nfs/dbraw/zinc/77/07/71/453770771.db2.gz GEVXMTCPIXPUER-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO Cc1cccc([C@H](CNc2ccccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000029626566 453830333 /nfs/dbraw/zinc/83/03/33/453830333.db2.gz MENLHGRPGFTJFE-IBGZPJMESA-N 1 2 341.411 3.389 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066435975 453845018 /nfs/dbraw/zinc/84/50/18/453845018.db2.gz FFSXSOIHMRHSNA-QGZVFWFLSA-N 1 2 346.383 3.378 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066435975 453845021 /nfs/dbraw/zinc/84/50/21/453845021.db2.gz FFSXSOIHMRHSNA-QGZVFWFLSA-N 1 2 346.383 3.378 20 5 EGBDLO O=C(NCCC1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032171423 453865684 /nfs/dbraw/zinc/86/56/84/453865684.db2.gz PAHBHUHSPIDJHG-UHFFFAOYSA-N 1 2 342.399 3.481 20 5 EGBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000042109774 453994599 /nfs/dbraw/zinc/99/45/99/453994599.db2.gz HMKXNOACYFOFPF-UHFFFAOYSA-N 1 2 338.367 3.058 20 5 EGBDLO Cc1cc(N(C)CCc2ccccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057824957 454149567 /nfs/dbraw/zinc/14/95/67/454149567.db2.gz IBDSXLLZISVFBK-UHFFFAOYSA-N 1 2 349.394 3.434 20 5 EGBDLO O=[N+]([O-])c1ccccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000045909985 454195026 /nfs/dbraw/zinc/19/50/26/454195026.db2.gz OISCEQJZSLUTPB-OAHLLOKOSA-N 1 2 333.413 3.142 20 5 EGBDLO CCc1cc(NC[C@@](C)(O)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000060374233 454283096 /nfs/dbraw/zinc/28/30/96/454283096.db2.gz YLJPTMBWXCULNR-KRWDZBQOSA-N 1 2 330.388 3.187 20 5 EGBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ncccc1[N+](=O)[O-] ZINC000078674555 454296472 /nfs/dbraw/zinc/29/64/72/454296472.db2.gz SUUVQMCEODTAAD-UHFFFAOYSA-N 1 2 341.415 3.128 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)o2)cc1 ZINC000072578323 454312456 /nfs/dbraw/zinc/31/24/56/454312456.db2.gz OQOPGMAGPGFMJD-HNNXBMFYSA-N 1 2 339.355 3.310 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)o2)cc1 ZINC000072578323 454312461 /nfs/dbraw/zinc/31/24/61/454312461.db2.gz OQOPGMAGPGFMJD-HNNXBMFYSA-N 1 2 339.355 3.310 20 5 EGBDLO CN1CC[C@H](Sc2nc3ccccc3c3[nH+]c4ccccc4n32)C1=O ZINC000078756731 454313759 /nfs/dbraw/zinc/31/37/59/454313759.db2.gz PXSLRZRWPKDJJO-INIZCTEOSA-N 1 2 348.431 3.359 20 5 EGBDLO CCOc1ccc(C[NH+]2CCN(c3ccsc3[N+](=O)[O-])CC2)cc1 ZINC000063256869 454399368 /nfs/dbraw/zinc/39/93/68/454399368.db2.gz UJKBZDXUESQAGD-UHFFFAOYSA-N 1 2 347.440 3.377 20 5 EGBDLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000097163058 454419613 /nfs/dbraw/zinc/41/96/13/454419613.db2.gz XNDWEVRYYCJPAC-LRDDRELGSA-N 1 2 343.387 3.215 20 5 EGBDLO C[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1n1cc[nH+]c1 ZINC000134067631 454499305 /nfs/dbraw/zinc/49/93/05/454499305.db2.gz OQYURGFSMFKXOI-GUYCJALGSA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 ZINC000123463575 454640567 /nfs/dbraw/zinc/64/05/67/454640567.db2.gz YQIZRXVQJXHMGR-NWDGAFQWSA-N 1 2 339.355 3.452 20 5 EGBDLO c1ncn(CCSc2nc3ccccc3c3[nH+]c4ccccc4n32)n1 ZINC000066156904 454660849 /nfs/dbraw/zinc/66/08/49/454660849.db2.gz XFULDNOTKSWHOC-UHFFFAOYSA-N 1 2 346.419 3.420 20 5 EGBDLO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106862857 454724673 /nfs/dbraw/zinc/72/46/73/454724673.db2.gz LUFLKPYDZDXBNZ-ZDUSSCGKSA-N 1 2 325.368 3.153 20 5 EGBDLO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106862857 454724675 /nfs/dbraw/zinc/72/46/75/454724675.db2.gz LUFLKPYDZDXBNZ-ZDUSSCGKSA-N 1 2 325.368 3.153 20 5 EGBDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153547287 454805065 /nfs/dbraw/zinc/80/50/65/454805065.db2.gz XYLQJCZLXCIADI-ZDUSSCGKSA-N 1 2 331.372 3.345 20 5 EGBDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153547287 454805068 /nfs/dbraw/zinc/80/50/68/454805068.db2.gz XYLQJCZLXCIADI-ZDUSSCGKSA-N 1 2 331.372 3.345 20 5 EGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000176967592 454805093 /nfs/dbraw/zinc/80/50/93/454805093.db2.gz JAPWJIYIMGXMLK-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000176967592 454805096 /nfs/dbraw/zinc/80/50/96/454805096.db2.gz JAPWJIYIMGXMLK-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO Cc1cc(NC[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000141001427 454826409 /nfs/dbraw/zinc/82/64/09/454826409.db2.gz DFMJFGCHUFNCMM-CYBMUJFWSA-N 1 2 328.372 3.199 20 5 EGBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000163283335 454836391 /nfs/dbraw/zinc/83/63/91/454836391.db2.gz KIJMACYQGRBLJC-UHFFFAOYSA-N 1 2 347.802 3.240 20 5 EGBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000163283335 454836392 /nfs/dbraw/zinc/83/63/92/454836392.db2.gz KIJMACYQGRBLJC-UHFFFAOYSA-N 1 2 347.802 3.240 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000151237367 454956725 /nfs/dbraw/zinc/95/67/25/454956725.db2.gz OCBHINWXBIVEOJ-UHFFFAOYSA-N 1 2 340.314 3.305 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000180024318 455117983 /nfs/dbraw/zinc/11/79/83/455117983.db2.gz XDTMUPVOUFPQCI-SNVBAGLBSA-N 1 2 329.385 3.433 20 5 EGBDLO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nccs1 ZINC000172673363 455170832 /nfs/dbraw/zinc/17/08/32/455170832.db2.gz HLVZJJCBYURHGI-MRXNPFEDSA-N 1 2 349.412 3.333 20 5 EGBDLO Cc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1[N+](=O)[O-] ZINC000185609002 455585076 /nfs/dbraw/zinc/58/50/76/455585076.db2.gz WBTCWOIWSZSELZ-CQSZACIVSA-N 1 2 346.456 3.239 20 5 EGBDLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000247500202 455612676 /nfs/dbraw/zinc/61/26/76/455612676.db2.gz IAVPIUNDQXBGIB-TYNCELHUSA-N 1 2 346.387 3.205 20 5 EGBDLO CC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000247500202 455612678 /nfs/dbraw/zinc/61/26/78/455612678.db2.gz IAVPIUNDQXBGIB-TYNCELHUSA-N 1 2 346.387 3.205 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000254969832 455857500 /nfs/dbraw/zinc/85/75/00/455857500.db2.gz UXLFDLIJDOBGSU-UTCJRWHESA-N 1 2 343.349 3.178 20 5 EGBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000254969832 455857502 /nfs/dbraw/zinc/85/75/02/455857502.db2.gz UXLFDLIJDOBGSU-UTCJRWHESA-N 1 2 343.349 3.178 20 5 EGBDLO C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1n1cc[nH+]c1 ZINC000285579775 455875206 /nfs/dbraw/zinc/87/52/06/455875206.db2.gz KEELKQUAHXQGBT-BDJLRTHQSA-N 1 2 336.342 3.153 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000187276609 455890080 /nfs/dbraw/zinc/89/00/80/455890080.db2.gz NUEQKJGFRSCUIC-GOSISDBHSA-N 1 2 348.349 3.489 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000187276609 455890087 /nfs/dbraw/zinc/89/00/87/455890087.db2.gz NUEQKJGFRSCUIC-GOSISDBHSA-N 1 2 348.349 3.489 20 5 EGBDLO CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000285732534 455906575 /nfs/dbraw/zinc/90/65/75/455906575.db2.gz SVXHPLBYSAMFIM-JTQLQIEISA-N 1 2 340.181 3.285 20 5 EGBDLO Cc1cc(F)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000296781515 456035655 /nfs/dbraw/zinc/03/56/55/456035655.db2.gz POGJRVJLNNXQNX-UHFFFAOYSA-N 1 2 347.350 3.177 20 5 EGBDLO COc1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000272876637 456098859 /nfs/dbraw/zinc/09/88/59/456098859.db2.gz VXONRYRLBYQJCL-GFCCVEGCSA-N 1 2 345.359 3.086 20 5 EGBDLO Cc1cc(NC[C@@H]2CCC[C@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301384196 456104392 /nfs/dbraw/zinc/10/43/92/456104392.db2.gz BQEBBDHRWPIEQE-CJNGLKHVSA-N 1 2 342.399 3.323 20 5 EGBDLO Cc1nc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301633392 456168815 /nfs/dbraw/zinc/16/88/15/456168815.db2.gz DIYHYNYGFCNVBR-CQSZACIVSA-N 1 2 336.342 3.291 20 5 EGBDLO C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000301784924 456213822 /nfs/dbraw/zinc/21/38/22/456213822.db2.gz LBIDSJNWXYXAMS-INIZCTEOSA-N 1 2 333.338 3.366 20 5 EGBDLO C[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000301784924 456213829 /nfs/dbraw/zinc/21/38/29/456213829.db2.gz LBIDSJNWXYXAMS-INIZCTEOSA-N 1 2 333.338 3.366 20 5 EGBDLO Cc1nc(NCCNc2ccc([N+](=O)[O-])cc2)c2c([nH+]1)CCCC2 ZINC000302029134 456271556 /nfs/dbraw/zinc/27/15/56/456271556.db2.gz BCVSKOGGGXKYOR-UHFFFAOYSA-N 1 2 327.388 3.096 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1CNc1nc(C)[nH+]c2c1CCCC2 ZINC000302065741 456278583 /nfs/dbraw/zinc/27/85/83/456278583.db2.gz WAKKDGNXCZZBIS-UHFFFAOYSA-N 1 2 328.372 3.193 20 5 EGBDLO Cn1c(Cl)cnc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000281734427 456305345 /nfs/dbraw/zinc/30/53/45/456305345.db2.gz QAVASCBEJRWQGM-UHFFFAOYSA-N 1 2 348.712 3.290 20 5 EGBDLO Cn1c(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000342933001 456321102 /nfs/dbraw/zinc/32/11/02/456321102.db2.gz COYNOLCAMBXOPS-UHFFFAOYSA-N 1 2 341.371 3.359 20 5 EGBDLO Cn1c2c(cccc2F)[nH+]c1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337016177 456321248 /nfs/dbraw/zinc/32/12/48/456321248.db2.gz LXOLHRCJTPAASR-UHFFFAOYSA-N 1 2 326.331 3.183 20 5 EGBDLO CC(C)[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276447980 456485299 /nfs/dbraw/zinc/48/52/99/456485299.db2.gz BNVHPBSSTYAVTO-HNNXBMFYSA-N 1 2 343.387 3.019 20 5 EGBDLO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)C(F)(F)F ZINC000282524242 456540288 /nfs/dbraw/zinc/54/02/88/456540288.db2.gz PTJXNIWZENBDAQ-UHFFFAOYSA-N 1 2 334.269 3.077 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c(F)c1 ZINC000292060739 456844151 /nfs/dbraw/zinc/84/41/51/456844151.db2.gz COTQFPFTUXVCIY-GFCCVEGCSA-N 1 2 326.343 3.122 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(F)c1 ZINC000292060739 456844153 /nfs/dbraw/zinc/84/41/53/456844153.db2.gz COTQFPFTUXVCIY-GFCCVEGCSA-N 1 2 326.343 3.122 20 5 EGBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000339067972 456925003 /nfs/dbraw/zinc/92/50/03/456925003.db2.gz IRAFPKVLXJFWTH-HNNXBMFYSA-N 1 2 344.367 3.313 20 5 EGBDLO COc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000356533848 457041219 /nfs/dbraw/zinc/04/12/19/457041219.db2.gz VQPSGVLMEPADFG-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000356533848 457041226 /nfs/dbraw/zinc/04/12/26/457041226.db2.gz VQPSGVLMEPADFG-UHFFFAOYSA-N 1 2 328.368 3.306 20 5 EGBDLO COCCOC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000354207576 457130150 /nfs/dbraw/zinc/13/01/50/457130150.db2.gz UBKSVBFRZHBHLR-UHFFFAOYSA-N 1 2 348.424 3.171 20 5 EGBDLO CO[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000359898329 457140362 /nfs/dbraw/zinc/14/03/62/457140362.db2.gz LEMYYKREKLVBBI-INIZCTEOSA-N 1 2 342.399 3.366 20 5 EGBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(C)[nH+]1 ZINC000352443652 457372104 /nfs/dbraw/zinc/37/21/04/457372104.db2.gz OQAOCKSEYOUIIJ-UHFFFAOYSA-N 1 2 337.282 3.460 20 5 EGBDLO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000369825205 457417320 /nfs/dbraw/zinc/41/73/20/457417320.db2.gz GXYQTFPGJIJKOY-OAHLLOKOSA-N 1 2 347.371 3.116 20 5 EGBDLO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000369825205 457417331 /nfs/dbraw/zinc/41/73/31/457417331.db2.gz GXYQTFPGJIJKOY-OAHLLOKOSA-N 1 2 347.371 3.116 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370147884 457563280 /nfs/dbraw/zinc/56/32/80/457563280.db2.gz HBUFAPYDKGBKRM-ZDUSSCGKSA-N 1 2 330.388 3.236 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444007963 457841825 /nfs/dbraw/zinc/84/18/25/457841825.db2.gz IDVSPIQDBLHNSD-UHFFFAOYSA-N 1 2 347.349 3.198 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361800007 457869318 /nfs/dbraw/zinc/86/93/18/457869318.db2.gz KKSOOSSXSASCCT-UHFFFAOYSA-N 1 2 339.273 3.245 20 5 EGBDLO CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000361842967 457902221 /nfs/dbraw/zinc/90/22/21/457902221.db2.gz KZJAAYRJHAZSMT-QWHCGFSZSA-N 1 2 330.388 3.335 20 5 EGBDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000444742169 457962015 /nfs/dbraw/zinc/96/20/15/457962015.db2.gz IKZQJDVVJOIAOJ-UHFFFAOYSA-N 1 2 345.374 3.137 20 5 EGBDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000444742169 457962021 /nfs/dbraw/zinc/96/20/21/457962021.db2.gz IKZQJDVVJOIAOJ-UHFFFAOYSA-N 1 2 345.374 3.137 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1NCc1cccc(-n3cc[nH+]c3)c1)CCN2 ZINC000436392364 458298824 /nfs/dbraw/zinc/29/88/24/458298824.db2.gz SHGVQSRMJYSSHM-UHFFFAOYSA-N 1 2 335.367 3.361 20 5 EGBDLO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000447807071 458345290 /nfs/dbraw/zinc/34/52/90/458345290.db2.gz PCDCPYCGBKHENZ-CVEARBPZSA-N 1 2 347.459 3.299 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000437517391 458460303 /nfs/dbraw/zinc/46/03/03/458460303.db2.gz KBLSFJHHSQIHCH-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000437517391 458460310 /nfs/dbraw/zinc/46/03/10/458460310.db2.gz KBLSFJHHSQIHCH-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO Cc1c(NC(=O)CC[N@@H+]2Cc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000459729744 458460920 /nfs/dbraw/zinc/46/09/20/458460920.db2.gz GZXIFWFQFYAYLQ-UHFFFAOYSA-N 1 2 343.358 3.387 20 5 EGBDLO Cc1c(NC(=O)CC[N@H+]2Cc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000459729744 458460921 /nfs/dbraw/zinc/46/09/21/458460921.db2.gz GZXIFWFQFYAYLQ-UHFFFAOYSA-N 1 2 343.358 3.387 20 5 EGBDLO CO[C@](C)(CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000461866103 458575743 /nfs/dbraw/zinc/57/57/43/458575743.db2.gz KKBAEYUQLFCWBJ-GOSISDBHSA-N 1 2 342.399 3.009 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000470218119 458625062 /nfs/dbraw/zinc/62/50/62/458625062.db2.gz LUIQOCJVSATLNX-RNYZQXAPSA-N 1 2 346.427 3.126 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000470218119 458625067 /nfs/dbraw/zinc/62/50/67/458625067.db2.gz LUIQOCJVSATLNX-RNYZQXAPSA-N 1 2 346.427 3.126 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000470218118 458625129 /nfs/dbraw/zinc/62/51/29/458625129.db2.gz LUIQOCJVSATLNX-QLTJYVKOSA-N 1 2 346.427 3.126 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000470218118 458625135 /nfs/dbraw/zinc/62/51/35/458625135.db2.gz LUIQOCJVSATLNX-QLTJYVKOSA-N 1 2 346.427 3.126 20 5 EGBDLO CCOC(=O)[C@H](CC)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000470263823 458625850 /nfs/dbraw/zinc/62/58/50/458625850.db2.gz ODSXJZZBFNTPSC-DYLHUKMJSA-N 1 2 332.400 3.414 20 5 EGBDLO CCOC(=O)[C@H](CC)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000470263823 458625854 /nfs/dbraw/zinc/62/58/54/458625854.db2.gz ODSXJZZBFNTPSC-DYLHUKMJSA-N 1 2 332.400 3.414 20 5 EGBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000438999473 458639463 /nfs/dbraw/zinc/63/94/63/458639463.db2.gz AJSSEIYENSZWSX-INIZCTEOSA-N 1 2 344.415 3.417 20 5 EGBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000438999473 458639470 /nfs/dbraw/zinc/63/94/70/458639470.db2.gz AJSSEIYENSZWSX-INIZCTEOSA-N 1 2 344.415 3.417 20 5 EGBDLO Cc1cc(N[C@H](C)[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503274709 458700302 /nfs/dbraw/zinc/70/03/02/458700302.db2.gz JTTNOTCGPNVJBO-HIFRSBDPSA-N 1 2 342.399 3.009 20 5 EGBDLO C[C@H]1CCCC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472030027 458763140 /nfs/dbraw/zinc/76/31/40/458763140.db2.gz PEJLRQKUDPJSNK-HOCLYGCPSA-N 1 2 333.432 3.418 20 5 EGBDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000577385030 459025259 /nfs/dbraw/zinc/02/52/59/459025259.db2.gz KDGPHXBYTNFUKI-NSHDSACASA-N 1 2 342.277 3.003 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533026014 459177069 /nfs/dbraw/zinc/17/70/69/459177069.db2.gz XJEDVMJECHXARU-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533026014 459177076 /nfs/dbraw/zinc/17/70/76/459177076.db2.gz XJEDVMJECHXARU-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cccnc1OC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595460505 459309870 /nfs/dbraw/zinc/30/98/70/459309870.db2.gz DEJAHSRCNNRCFF-UHFFFAOYSA-N 1 2 345.374 3.481 20 5 EGBDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000595514820 459331183 /nfs/dbraw/zinc/33/11/83/459331183.db2.gz KLDNSYSWVNJXLM-JTQLQIEISA-N 1 2 348.794 3.014 20 5 EGBDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000595514820 459331184 /nfs/dbraw/zinc/33/11/84/459331184.db2.gz KLDNSYSWVNJXLM-JTQLQIEISA-N 1 2 348.794 3.014 20 5 EGBDLO C[S@](=O)[C@@H]1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596367880 459610657 /nfs/dbraw/zinc/61/06/57/459610657.db2.gz VQGCYSYKDFSKQF-QNXDBWELSA-N 1 2 333.413 3.245 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](CC)CO1 ZINC000593059349 459759368 /nfs/dbraw/zinc/75/93/68/459759368.db2.gz PIFPUUNSQUBWNS-UKRRQHHQSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](CC)CO1 ZINC000593059349 459759373 /nfs/dbraw/zinc/75/93/73/459759373.db2.gz PIFPUUNSQUBWNS-UKRRQHHQSA-N 1 2 346.387 3.034 20 5 EGBDLO Cn1ncc(C2CC2)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596980209 459809561 /nfs/dbraw/zinc/80/95/61/459809561.db2.gz WAJULYFADCAWIP-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO Cn1ncc(C2CC2)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596980209 459809564 /nfs/dbraw/zinc/80/95/64/459809564.db2.gz WAJULYFADCAWIP-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC000566138957 459812220 /nfs/dbraw/zinc/81/22/20/459812220.db2.gz VNPSMMCJMNLEQH-UHFFFAOYSA-N 1 2 341.205 3.112 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccnn1C1CCCC1)C2 ZINC000574875673 459886162 /nfs/dbraw/zinc/88/61/62/459886162.db2.gz AATAVMCGQSSSJC-UHFFFAOYSA-N 1 2 326.400 3.465 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccnn1C1CCCC1)C2 ZINC000574875673 459886164 /nfs/dbraw/zinc/88/61/64/459886164.db2.gz AATAVMCGQSSSJC-UHFFFAOYSA-N 1 2 326.400 3.465 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(F)c1 ZINC000594026690 460062267 /nfs/dbraw/zinc/06/22/67/460062267.db2.gz NGFWVLFHGGISBS-ZDUSSCGKSA-N 1 2 326.343 3.407 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](OC3CCC3)C2)c(F)c1 ZINC000594026690 460062274 /nfs/dbraw/zinc/06/22/74/460062274.db2.gz NGFWVLFHGGISBS-ZDUSSCGKSA-N 1 2 326.343 3.407 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000610392219 460141075 /nfs/dbraw/zinc/14/10/75/460141075.db2.gz IPXRGPFIOCAUNM-AWEZNQCLSA-N 1 2 333.432 3.379 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000610392219 460141087 /nfs/dbraw/zinc/14/10/87/460141087.db2.gz IPXRGPFIOCAUNM-AWEZNQCLSA-N 1 2 333.432 3.379 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000615239217 460297568 /nfs/dbraw/zinc/29/75/68/460297568.db2.gz KSEHHUKEBRGVFA-OAHLLOKOSA-N 1 2 342.399 3.392 20 5 EGBDLO COc1cc(NCCc2cn3cccc(C)c3[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000611256225 460319706 /nfs/dbraw/zinc/31/97/06/460319706.db2.gz UTSJIQDYEQYSBL-UHFFFAOYSA-N 1 2 344.346 3.353 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCc3ccc(F)cc3C1)OCCO2 ZINC000611271756 460324816 /nfs/dbraw/zinc/32/48/16/460324816.db2.gz WCGWPSUXLVSVTP-UHFFFAOYSA-N 1 2 344.342 3.063 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCc3ccc(F)cc3C1)OCCO2 ZINC000611271756 460324818 /nfs/dbraw/zinc/32/48/18/460324818.db2.gz WCGWPSUXLVSVTP-UHFFFAOYSA-N 1 2 344.342 3.063 20 5 EGBDLO CCOC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600201701 460436013 /nfs/dbraw/zinc/43/60/13/460436013.db2.gz UXTJCAAVZGMOCV-QGZVFWFLSA-N 1 2 346.383 3.092 20 5 EGBDLO CCOC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600201701 460436018 /nfs/dbraw/zinc/43/60/18/460436018.db2.gz UXTJCAAVZGMOCV-QGZVFWFLSA-N 1 2 346.383 3.092 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1C[C@H]2CCCC[C@@H]2C1 ZINC000615994588 460444958 /nfs/dbraw/zinc/44/49/58/460444958.db2.gz YBKODWDKVXLZOA-IAGOWNOFSA-N 1 2 345.443 3.053 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/Cl)CC2)c(C(F)(F)F)c1 ZINC000727587125 574676877 /nfs/dbraw/zinc/67/68/77/574676877.db2.gz YCIVFTRAJQPVIO-DAFODLJHSA-N 1 2 349.740 3.488 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000735492650 575669702 /nfs/dbraw/zinc/66/97/02/575669702.db2.gz QMYFBUPWGHPAFN-UHFFFAOYSA-N 1 2 335.791 3.159 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000742360834 576773118 /nfs/dbraw/zinc/77/31/18/576773118.db2.gz VCPLEQVTLRORKX-UHFFFAOYSA-N 1 2 348.428 3.454 20 5 EGBDLO CC[C@H](C)C[N@H+](CC)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000174943037 1294532225 /nfs/dbraw/zinc/53/22/25/1294532225.db2.gz QAGDCBZTFMFEHG-AWEZNQCLSA-N 1 2 344.415 3.144 20 5 EGBDLO CC[C@H](C)C[N@@H+](CC)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000174943037 1294532231 /nfs/dbraw/zinc/53/22/31/1294532231.db2.gz QAGDCBZTFMFEHG-AWEZNQCLSA-N 1 2 344.415 3.144 20 5 EGBDLO Cc1nn(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000194567435 1295987298 /nfs/dbraw/zinc/98/72/98/1295987298.db2.gz LAPHMADNWXEKAR-UHFFFAOYSA-N 1 2 330.363 3.294 20 5 EGBDLO Cc1nn(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000194567435 1295987304 /nfs/dbraw/zinc/98/73/04/1295987304.db2.gz LAPHMADNWXEKAR-UHFFFAOYSA-N 1 2 330.363 3.294 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H](CO)CC2)cc1Br ZINC000877554649 1299394450 /nfs/dbraw/zinc/39/44/50/1299394450.db2.gz LBPKNQSQDACNSG-SECBINFHSA-N 1 2 349.250 3.013 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1Br ZINC000877554649 1299394459 /nfs/dbraw/zinc/39/44/59/1299394459.db2.gz LBPKNQSQDACNSG-SECBINFHSA-N 1 2 349.250 3.013 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000754503779 1300154056 /nfs/dbraw/zinc/15/40/56/1300154056.db2.gz GPIKCBHIPSAIIS-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1C ZINC000758358523 1300861862 /nfs/dbraw/zinc/86/18/62/1300861862.db2.gz VRWYIMOBSMABSN-UHFFFAOYSA-N 1 2 348.334 3.076 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](CF)C1 ZINC000880232749 1300995748 /nfs/dbraw/zinc/99/57/48/1300995748.db2.gz FJQFOGDAGWPSHC-GHMZBOCLSA-N 1 2 343.786 3.257 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](CF)C1 ZINC000880232749 1300995758 /nfs/dbraw/zinc/99/57/58/1300995758.db2.gz FJQFOGDAGWPSHC-GHMZBOCLSA-N 1 2 343.786 3.257 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761047502 1301390012 /nfs/dbraw/zinc/39/00/12/1301390012.db2.gz VMSGISFUUULERL-WDEREUQCSA-N 1 2 345.321 3.114 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761047502 1301390024 /nfs/dbraw/zinc/39/00/24/1301390024.db2.gz VMSGISFUUULERL-WDEREUQCSA-N 1 2 345.321 3.114 20 5 EGBDLO COc1cc(CO[NH+]=C(N)Cc2ccccc2C)c([N+](=O)[O-])cc1F ZINC000766063522 1302379925 /nfs/dbraw/zinc/37/99/25/1302379925.db2.gz FJHWZPFDRCOOFL-UHFFFAOYSA-N 1 2 347.346 3.292 20 5 EGBDLO CCOc1cc(N2CCC([N@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000771154297 1303368755 /nfs/dbraw/zinc/36/87/55/1303368755.db2.gz KLCKHOQONHWDGY-UHFFFAOYSA-N 1 2 343.374 3.159 20 5 EGBDLO CCOc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000771154297 1303368759 /nfs/dbraw/zinc/36/87/59/1303368759.db2.gz KLCKHOQONHWDGY-UHFFFAOYSA-N 1 2 343.374 3.159 20 5 EGBDLO CC(C)OC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000886728625 1303579626 /nfs/dbraw/zinc/57/96/26/1303579626.db2.gz ARBYEKRPBHRKHO-UHFFFAOYSA-N 1 2 340.807 3.412 20 5 EGBDLO COCC[N@H+](Cc1ccc(C)c(C)c1)Cc1cccnc1[N+](=O)[O-] ZINC000887110474 1303680474 /nfs/dbraw/zinc/68/04/74/1303680474.db2.gz QVWFIGVHOADELF-UHFFFAOYSA-N 1 2 329.400 3.255 20 5 EGBDLO COCC[N@@H+](Cc1ccc(C)c(C)c1)Cc1cccnc1[N+](=O)[O-] ZINC000887110474 1303680481 /nfs/dbraw/zinc/68/04/81/1303680481.db2.gz QVWFIGVHOADELF-UHFFFAOYSA-N 1 2 329.400 3.255 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000776594250 1304177785 /nfs/dbraw/zinc/17/77/85/1304177785.db2.gz ZTHHKZMMDBLJAK-IBGZPJMESA-N 1 2 337.379 3.168 20 5 EGBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000776594250 1304177789 /nfs/dbraw/zinc/17/77/89/1304177789.db2.gz ZTHHKZMMDBLJAK-IBGZPJMESA-N 1 2 337.379 3.168 20 5 EGBDLO Cc1cccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1F ZINC000780083554 1304636680 /nfs/dbraw/zinc/63/66/80/1304636680.db2.gz RTGCBIISKGSETC-UHFFFAOYSA-N 1 2 341.298 3.447 20 5 EGBDLO C[NH+](C)[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000780090840 1304637789 /nfs/dbraw/zinc/63/77/89/1304637789.db2.gz OULBNSJYVVCUMC-INIZCTEOSA-N 1 2 332.331 3.080 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@H]2CCCC[C@H]12 ZINC000782275101 1304945660 /nfs/dbraw/zinc/94/56/60/1304945660.db2.gz DOXZTHMIDVMAPI-FOGDFJRCSA-N 1 2 343.225 3.022 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@H]2CCCC[C@H]12 ZINC000782275101 1304945665 /nfs/dbraw/zinc/94/56/65/1304945665.db2.gz DOXZTHMIDVMAPI-FOGDFJRCSA-N 1 2 343.225 3.022 20 5 EGBDLO Cc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000784389138 1305239709 /nfs/dbraw/zinc/23/97/09/1305239709.db2.gz MAAGGERILBNESR-UHFFFAOYSA-N 1 2 329.375 3.365 20 5 EGBDLO CN(C)c1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH+]cn1 ZINC000893542620 1305960387 /nfs/dbraw/zinc/96/03/87/1305960387.db2.gz JSZZBAVILAIUJR-UHFFFAOYSA-N 1 2 341.293 3.082 20 5 EGBDLO CN(C)c1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc[nH+]1 ZINC000893542620 1305960392 /nfs/dbraw/zinc/96/03/92/1305960392.db2.gz JSZZBAVILAIUJR-UHFFFAOYSA-N 1 2 341.293 3.082 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788743677 1306006353 /nfs/dbraw/zinc/00/63/53/1306006353.db2.gz ZWCOOGSOAMKROK-CYBMUJFWSA-N 1 2 333.775 3.429 20 5 EGBDLO CC(C)COC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000789576372 1306186937 /nfs/dbraw/zinc/18/69/37/1306186937.db2.gz GVAPXGZOUAVCMS-YQQAZPJKSA-N 1 2 348.443 3.483 20 5 EGBDLO CO[C@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000794654884 1309565408 /nfs/dbraw/zinc/56/54/08/1309565408.db2.gz JFTGRQGPUPZCHG-OAHLLOKOSA-N 1 2 338.795 3.056 20 5 EGBDLO CO[C@]1(C)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000794654884 1309565416 /nfs/dbraw/zinc/56/54/16/1309565416.db2.gz JFTGRQGPUPZCHG-OAHLLOKOSA-N 1 2 338.795 3.056 20 5 EGBDLO C[N@H+](CCOc1ccccc1C(C)(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000794879785 1309614617 /nfs/dbraw/zinc/61/46/17/1309614617.db2.gz DVJJFRYCBQVNRW-UHFFFAOYSA-N 1 2 332.404 3.057 20 5 EGBDLO C[N@@H+](CCOc1ccccc1C(C)(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000794879785 1309614623 /nfs/dbraw/zinc/61/46/23/1309614623.db2.gz DVJJFRYCBQVNRW-UHFFFAOYSA-N 1 2 332.404 3.057 20 5 EGBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000896660132 1309962699 /nfs/dbraw/zinc/96/26/99/1309962699.db2.gz RLNMGWMPOXGFKX-UHFFFAOYSA-N 1 2 340.305 3.393 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1F ZINC000801524311 1310955595 /nfs/dbraw/zinc/95/55/95/1310955595.db2.gz QOPNHHQFAWGXKQ-UHFFFAOYSA-N 1 2 326.331 3.210 20 5 EGBDLO COCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839564475 1320938894 /nfs/dbraw/zinc/93/88/94/1320938894.db2.gz UVKSTTQDDCSIQC-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO COCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839564475 1320938895 /nfs/dbraw/zinc/93/88/95/1320938895.db2.gz UVKSTTQDDCSIQC-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1C ZINC000809985940 1317930897 /nfs/dbraw/zinc/93/08/97/1317930897.db2.gz XAOPGPLLHSVRCD-KWQFWETISA-N 1 2 347.198 3.285 20 5 EGBDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1C ZINC000809985940 1317930904 /nfs/dbraw/zinc/93/09/04/1317930904.db2.gz XAOPGPLLHSVRCD-KWQFWETISA-N 1 2 347.198 3.285 20 5 EGBDLO Cc1cc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc(C)[nH+]1 ZINC000817163956 1319287024 /nfs/dbraw/zinc/28/70/24/1319287024.db2.gz ZNLRBFDFXPAISQ-UHFFFAOYSA-N 1 2 348.790 3.259 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000836548779 1320502308 /nfs/dbraw/zinc/50/23/08/1320502308.db2.gz SILBMZWFCGRDDR-UHFFFAOYSA-N 1 2 348.790 3.300 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(Cc2cncs2)CC1 ZINC000931359381 1329101644 /nfs/dbraw/zinc/10/16/44/1329101644.db2.gz MNSISYWYCLYFSR-AWEZNQCLSA-N 1 2 346.456 3.239 20 5 EGBDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029450737 1340992882 /nfs/dbraw/zinc/99/28/82/1340992882.db2.gz WVXANMNGCXHRDL-IYBDPMFKSA-N 1 2 345.443 3.206 20 5 EGBDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029450737 1340992883 /nfs/dbraw/zinc/99/28/83/1340992883.db2.gz WVXANMNGCXHRDL-IYBDPMFKSA-N 1 2 345.443 3.206 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC2(CCCC2)C1 ZINC001325166599 1387909203 /nfs/dbraw/zinc/90/92/03/1387909203.db2.gz YSGUAIRVGDIPNW-UHFFFAOYSA-N 1 2 340.383 3.187 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1 ZINC001215220000 1373188326 /nfs/dbraw/zinc/18/83/26/1373188326.db2.gz NKNBUSZZDWEGQZ-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225626857 1375134795 /nfs/dbraw/zinc/13/47/95/1375134795.db2.gz WSVYVAKYRMAAMO-KGLIPLIRSA-N 1 2 343.383 3.300 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225626857 1375134796 /nfs/dbraw/zinc/13/47/96/1375134796.db2.gz WSVYVAKYRMAAMO-KGLIPLIRSA-N 1 2 343.383 3.300 20 5 EGBDLO CC(C)[NH+]1CC(Oc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001229421281 1375831647 /nfs/dbraw/zinc/83/16/47/1375831647.db2.gz NIVNJZSSIPVDDX-UHFFFAOYSA-N 1 2 331.328 3.128 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001327947018 1388630797 /nfs/dbraw/zinc/63/07/97/1388630797.db2.gz ZRMFRORBTVYKPF-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001327947018 1388630800 /nfs/dbraw/zinc/63/08/00/1388630800.db2.gz ZRMFRORBTVYKPF-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2cc(Cl)cc([N+](=O)[O-])n2)c1 ZINC001162130174 1382634141 /nfs/dbraw/zinc/63/41/41/1382634141.db2.gz ZOYNSEMIQCXRMV-UHFFFAOYSA-N 1 2 336.779 3.437 20 5 EGBDLO COc1ccc(C[C@H](C)[N@@H+]2Cc3cnc(C)cc3C2)c([N+](=O)[O-])c1 ZINC001170353601 1384299045 /nfs/dbraw/zinc/29/90/45/1384299045.db2.gz ZWIAEPUSCNFJGD-ZDUSSCGKSA-N 1 2 327.384 3.254 20 5 EGBDLO COc1ccc(C[C@H](C)[N@H+]2Cc3cnc(C)cc3C2)c([N+](=O)[O-])c1 ZINC001170353601 1384299051 /nfs/dbraw/zinc/29/90/51/1384299051.db2.gz ZWIAEPUSCNFJGD-ZDUSSCGKSA-N 1 2 327.384 3.254 20 5 EGBDLO CC(C)(C)c1cn(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC001329345452 1389070369 /nfs/dbraw/zinc/07/03/69/1389070369.db2.gz MYUDJBLAQWNCGB-UHFFFAOYSA-N 1 2 344.371 3.087 20 5 EGBDLO Cc1c[nH+]cc(C)c1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001340810452 1390374140 /nfs/dbraw/zinc/37/41/40/1390374140.db2.gz LCMWNGMCGKVKAQ-UHFFFAOYSA-N 1 2 349.774 3.090 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2[nH+]ccn2CCCc2ccccc2)s1 ZINC000190334304 238397319 /nfs/dbraw/zinc/39/73/19/238397319.db2.gz YWFVTADEFPKJAG-UHFFFAOYSA-N 1 2 343.412 3.493 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377691894 169061896 /nfs/dbraw/zinc/06/18/96/169061896.db2.gz FWHVXRMMCICKLC-ROUUACIJSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000377691894 169061898 /nfs/dbraw/zinc/06/18/98/169061898.db2.gz FWHVXRMMCICKLC-ROUUACIJSA-N 1 2 334.416 3.098 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000153587263 224126579 /nfs/dbraw/zinc/12/65/79/224126579.db2.gz AOLIPKOSWMEPGA-UHFFFAOYSA-N 1 2 348.790 3.348 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3F)CC2)cc1 ZINC000057331835 132199785 /nfs/dbraw/zinc/19/97/85/132199785.db2.gz LIDNVRZYYVGBIV-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353348996 141292702 /nfs/dbraw/zinc/29/27/02/141292702.db2.gz JQFZTBGBCNZNDI-UHFFFAOYSA-N 1 2 346.293 3.170 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000178284850 144068442 /nfs/dbraw/zinc/06/84/42/144068442.db2.gz YVQFLLDMLOPUKH-CYBMUJFWSA-N 1 2 329.404 3.072 20 5 EGBDLO COCCn1c2ccccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000185842972 144120886 /nfs/dbraw/zinc/12/08/86/144120886.db2.gz IAYZDAKPTFYIQX-UHFFFAOYSA-N 1 2 326.356 3.203 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000351542590 144276254 /nfs/dbraw/zinc/27/62/54/144276254.db2.gz UJHOSBQBOCHHEQ-OAHLLOKOSA-N 1 2 343.387 3.218 20 5 EGBDLO C[C@@H]1C[N@H+](C(C)(C)CNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000341423361 155284335 /nfs/dbraw/zinc/28/43/35/155284335.db2.gz VLYDQOHGMHXINO-TXEJJXNPSA-N 1 2 325.384 3.034 20 5 EGBDLO C[C@@H]1C[N@@H+](C(C)(C)CNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000341423361 155284336 /nfs/dbraw/zinc/28/43/36/155284336.db2.gz VLYDQOHGMHXINO-TXEJJXNPSA-N 1 2 325.384 3.034 20 5 EGBDLO Cn1ncc2c1nc[nH+]c2SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000115965328 152036208 /nfs/dbraw/zinc/03/62/08/152036208.db2.gz IASBHZDDVKOCHJ-UHFFFAOYSA-N 1 2 335.776 3.217 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000341582609 155365667 /nfs/dbraw/zinc/36/56/67/155365667.db2.gz GGYRZTFSOIZVQF-NSHDSACASA-N 1 2 346.284 3.251 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000359859430 286383968 /nfs/dbraw/zinc/38/39/68/286383968.db2.gz JUPHASXWVVRDSB-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000359859430 286383971 /nfs/dbraw/zinc/38/39/71/286383971.db2.gz JUPHASXWVVRDSB-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO CCOc1cccc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000365398037 157113229 /nfs/dbraw/zinc/11/32/29/157113229.db2.gz XUDOKTXOURYEOD-ZDUSSCGKSA-N 1 2 330.388 3.488 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000372814273 157390561 /nfs/dbraw/zinc/39/05/61/157390561.db2.gz YVAPCBJLRGPMHN-KRWDZBQOSA-N 1 2 332.356 3.160 20 5 EGBDLO CCOc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000372814273 157390567 /nfs/dbraw/zinc/39/05/67/157390567.db2.gz YVAPCBJLRGPMHN-KRWDZBQOSA-N 1 2 332.356 3.160 20 5 EGBDLO Cc1ccc(NCCCNc2cc(C)[nH+]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000352247996 165306492 /nfs/dbraw/zinc/30/64/92/165306492.db2.gz UGVIYKJIPFBPSZ-UHFFFAOYSA-N 1 2 341.415 3.215 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000352346826 165357125 /nfs/dbraw/zinc/35/71/25/165357125.db2.gz KSNFJSRDIQQHLV-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000352346826 165357127 /nfs/dbraw/zinc/35/71/27/165357127.db2.gz KSNFJSRDIQQHLV-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO Cc1cnc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000356996028 166558819 /nfs/dbraw/zinc/55/88/19/166558819.db2.gz HBLRVHFCMRJRAM-CYBMUJFWSA-N 1 2 331.372 3.496 20 5 EGBDLO CCOC(=O)c1cc(NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000359098396 167066198 /nfs/dbraw/zinc/06/61/98/167066198.db2.gz SUOKDCBIBJKPPV-UHFFFAOYSA-N 1 2 340.339 3.031 20 5 EGBDLO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000177414669 265253516 /nfs/dbraw/zinc/25/35/16/265253516.db2.gz ZDUULWSIAAEJDW-YVEFUNNKSA-N 1 2 346.358 3.374 20 5 EGBDLO COC(=O)c1oc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C ZINC000179239557 265369969 /nfs/dbraw/zinc/36/99/69/265369969.db2.gz MSVYVHDPFYCHPQ-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO COC(=O)c1oc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C ZINC000179239557 265369970 /nfs/dbraw/zinc/36/99/70/265369970.db2.gz MSVYVHDPFYCHPQ-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO CCC(=O)c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000280655892 275478179 /nfs/dbraw/zinc/47/81/79/275478179.db2.gz GCJQEXJKQJBAFZ-AWEZNQCLSA-N 1 2 340.383 3.273 20 5 EGBDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000292416768 276791973 /nfs/dbraw/zinc/79/19/73/276791973.db2.gz UZUUSSSFDBFBHW-KBPBESRZSA-N 1 2 333.432 3.062 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000377272214 278036536 /nfs/dbraw/zinc/03/65/36/278036536.db2.gz AJRLQZIYPIGDCM-KDOFPFPSSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000377272214 278036537 /nfs/dbraw/zinc/03/65/37/278036537.db2.gz AJRLQZIYPIGDCM-KDOFPFPSSA-N 1 2 334.416 3.098 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000116279156 280357504 /nfs/dbraw/zinc/35/75/04/280357504.db2.gz NEGHVNQQTABXLX-JQWIXIFHSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000116279156 280357507 /nfs/dbraw/zinc/35/75/07/280357507.db2.gz NEGHVNQQTABXLX-JQWIXIFHSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCCC3)CCC2 ZINC000192607502 280370532 /nfs/dbraw/zinc/37/05/32/280370532.db2.gz RVPIKVSTEYVQNS-INIZCTEOSA-N 1 2 341.415 3.080 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]cn3-c3ccccc3)C2)n1 ZINC000349892916 281014299 /nfs/dbraw/zinc/01/42/99/281014299.db2.gz KZPPTEAZXVSHRZ-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000063605195 307355244 /nfs/dbraw/zinc/35/52/44/307355244.db2.gz IFPPFIAWOGUZQP-SFHVURJKSA-N 1 2 341.411 3.294 20 5 EGBDLO CCc1cc(N[C@@H]2C[C@@H](O)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302397792 308736731 /nfs/dbraw/zinc/73/67/31/308736731.db2.gz JLDVAUKRAXGRRJ-HUUCEWRRSA-N 1 2 342.399 3.186 20 5 EGBDLO CC(C)Oc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000412225267 308975828 /nfs/dbraw/zinc/97/58/28/308975828.db2.gz GQBMJHOQSHMMEY-CQSZACIVSA-N 1 2 344.371 3.082 20 5 EGBDLO O=[N+]([O-])c1cnc(NCCCNc2cccc[nH+]2)c(C(F)(F)F)c1 ZINC000413063550 309014255 /nfs/dbraw/zinc/01/42/55/309014255.db2.gz ROBMYSFPGSIDKE-UHFFFAOYSA-N 1 2 341.293 3.318 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c2cccnc21 ZINC000413106431 309016346 /nfs/dbraw/zinc/01/63/46/309016346.db2.gz OGLMRTGJJOQYDX-AWEZNQCLSA-N 1 2 349.394 3.476 20 5 EGBDLO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000413144897 309018063 /nfs/dbraw/zinc/01/80/63/309018063.db2.gz QORKSGCNQFGITN-ZDUSSCGKSA-N 1 2 340.305 3.122 20 5 EGBDLO CO[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417385832 309203924 /nfs/dbraw/zinc/20/39/24/309203924.db2.gz YBMUSEPGJJBGTN-IRXDYDNUSA-N 1 2 346.431 3.068 20 5 EGBDLO Cc1cc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000421555930 309329567 /nfs/dbraw/zinc/32/95/67/309329567.db2.gz IWUDMONDIBTNLE-ZDUSSCGKSA-N 1 2 345.424 3.404 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000421757227 309338750 /nfs/dbraw/zinc/33/87/50/309338750.db2.gz MNYAHKXLZPBRQH-AWEZNQCLSA-N 1 2 328.372 3.302 20 5 EGBDLO CCc1cc(NC2CC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000428667980 309558233 /nfs/dbraw/zinc/55/82/33/309558233.db2.gz XVPBMKOACSHPSJ-UHFFFAOYSA-N 1 2 334.326 3.246 20 5 EGBDLO C[C@H]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000429245828 309575226 /nfs/dbraw/zinc/57/52/26/309575226.db2.gz LSLJHQYKMVZRMY-JSGCOSHPSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448568522 310006571 /nfs/dbraw/zinc/00/65/71/310006571.db2.gz IWVBACVXCJESPY-JSGCOSHPSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448568521 310006593 /nfs/dbraw/zinc/00/65/93/310006593.db2.gz IWVBACVXCJESPY-GXTWGEPZSA-N 1 2 328.372 3.089 20 5 EGBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000448917718 310023945 /nfs/dbraw/zinc/02/39/45/310023945.db2.gz LXRJGGZRCJWWAS-HNNXBMFYSA-N 1 2 330.388 3.335 20 5 EGBDLO C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449925140 310094345 /nfs/dbraw/zinc/09/43/45/310094345.db2.gz ALHIFFCOUZZBDE-QWHCGFSZSA-N 1 2 328.372 3.041 20 5 EGBDLO CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450380973 310119348 /nfs/dbraw/zinc/11/93/48/310119348.db2.gz TVXWFQOZSORVMF-TZMCWYRMSA-N 1 2 328.372 3.184 20 5 EGBDLO CCOc1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451542880 310184406 /nfs/dbraw/zinc/18/44/06/310184406.db2.gz ANJBBCWRNWXKOC-ZDUSSCGKSA-N 1 2 348.428 3.225 20 5 EGBDLO CCOc1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000451542880 310184407 /nfs/dbraw/zinc/18/44/07/310184407.db2.gz ANJBBCWRNWXKOC-ZDUSSCGKSA-N 1 2 348.428 3.225 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455137879 310346537 /nfs/dbraw/zinc/34/65/37/310346537.db2.gz IXSNQCBNSBSXLJ-DGCLKSJQSA-N 1 2 329.360 3.236 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455366876 310357747 /nfs/dbraw/zinc/35/77/47/310357747.db2.gz YGBQECZTWURMDR-GWCFXTLKSA-N 1 2 345.359 3.018 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455457962 310361474 /nfs/dbraw/zinc/36/14/74/310361474.db2.gz CWUVFLYPSCPZME-YGRLFVJLSA-N 1 2 329.360 3.181 20 5 EGBDLO CN(CC1CCCC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472352763 310764598 /nfs/dbraw/zinc/76/45/98/310764598.db2.gz VGWYCIFVMNDFAY-UHFFFAOYSA-N 1 2 333.432 3.053 20 5 EGBDLO CC[C@@]([NH2+]CCc1ccc([N+](=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000512286537 312181679 /nfs/dbraw/zinc/18/16/79/312181679.db2.gz OYCNWPXSZDLIEC-IBGZPJMESA-N 1 2 342.395 3.205 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000536574552 314126427 /nfs/dbraw/zinc/12/64/27/314126427.db2.gz YQPXQSRACQQGSR-UHFFFAOYSA-N 1 2 331.397 3.393 20 5 EGBDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000536637980 314133702 /nfs/dbraw/zinc/13/37/02/314133702.db2.gz BSAIBRPADGQFIV-XJKSGUPXSA-N 1 2 342.399 3.028 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000539234436 314302473 /nfs/dbraw/zinc/30/24/73/314302473.db2.gz XYJSGSGPEPHDAB-LLVKDONJSA-N 1 2 349.337 3.471 20 5 EGBDLO COC(=O)[C@H](c1ccccc1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174588 315079420 /nfs/dbraw/zinc/07/94/20/315079420.db2.gz QMDOFVRXKAMBPH-SFHVURJKSA-N 1 2 342.395 3.292 20 5 EGBDLO COC(=O)[C@H](c1ccccc1C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174588 315079424 /nfs/dbraw/zinc/07/94/24/315079424.db2.gz QMDOFVRXKAMBPH-SFHVURJKSA-N 1 2 342.395 3.292 20 5 EGBDLO C[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000563581808 316041207 /nfs/dbraw/zinc/04/12/07/316041207.db2.gz NQUCPJVVDRRZSK-ZQIUZPCESA-N 1 2 342.399 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccc(F)c(F)c1)CCO2 ZINC000564007493 316102029 /nfs/dbraw/zinc/10/20/29/316102029.db2.gz IEFDIRDWBNCBKK-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1ccc(F)c(F)c1)CCO2 ZINC000564007493 316102032 /nfs/dbraw/zinc/10/20/32/316102032.db2.gz IEFDIRDWBNCBKK-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO CCOC(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000571502715 317208206 /nfs/dbraw/zinc/20/82/06/317208206.db2.gz AYOFIGULMDWQSM-UHFFFAOYSA-N 1 2 329.356 3.288 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000572413574 317335440 /nfs/dbraw/zinc/33/54/40/317335440.db2.gz JUFZCHQPQOCRIU-LLVKDONJSA-N 1 2 348.321 3.181 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000572413574 317335442 /nfs/dbraw/zinc/33/54/42/317335442.db2.gz JUFZCHQPQOCRIU-LLVKDONJSA-N 1 2 348.321 3.181 20 5 EGBDLO Cc1cc(C)c(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000572576334 317358258 /nfs/dbraw/zinc/35/82/58/317358258.db2.gz UWVDVTRPIZHAOW-UHFFFAOYSA-N 1 2 344.371 3.116 20 5 EGBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172049833 323267065 /nfs/dbraw/zinc/26/70/65/323267065.db2.gz OCPBFZSINSMRHT-UHFFFAOYSA-N 1 2 336.351 3.053 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000172911806 323291440 /nfs/dbraw/zinc/29/14/40/323291440.db2.gz ULWOYVWHGVILNV-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000172911806 323291444 /nfs/dbraw/zinc/29/14/44/323291444.db2.gz ULWOYVWHGVILNV-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO CC[C@](C)(OC)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351120189 324173781 /nfs/dbraw/zinc/17/37/81/324173781.db2.gz FWAOPOIQTRWIHM-INIZCTEOSA-N 1 2 343.343 3.102 20 5 EGBDLO CC1(C)C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC(C)(C)O1 ZINC000190566246 455345371 /nfs/dbraw/zinc/34/53/71/455345371.db2.gz HSEUKSFSASZROP-UHFFFAOYSA-N 1 2 346.387 3.034 20 5 EGBDLO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000012886004 453421000 /nfs/dbraw/zinc/42/10/00/453421000.db2.gz RAOOGTVTNMJMOX-CQSZACIVSA-N 1 2 341.839 3.407 20 5 EGBDLO CCn1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000616737737 460609746 /nfs/dbraw/zinc/60/97/46/460609746.db2.gz HFYGGBKSWAXXLQ-UHFFFAOYSA-N 1 2 333.388 3.065 20 5 EGBDLO CCn1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000616737737 460609751 /nfs/dbraw/zinc/60/97/51/460609751.db2.gz HFYGGBKSWAXXLQ-UHFFFAOYSA-N 1 2 333.388 3.065 20 5 EGBDLO COCC[N@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184233404 455365098 /nfs/dbraw/zinc/36/50/98/455365098.db2.gz DYELUFKXEFUJTA-UHFFFAOYSA-N 1 2 348.374 3.391 20 5 EGBDLO COCC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184233404 455365104 /nfs/dbraw/zinc/36/51/04/455365104.db2.gz DYELUFKXEFUJTA-UHFFFAOYSA-N 1 2 348.374 3.391 20 5 EGBDLO CCc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026346162 453797644 /nfs/dbraw/zinc/79/76/44/453797644.db2.gz AIUWQVGFBGPICO-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO CCc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026346162 453797647 /nfs/dbraw/zinc/79/76/47/453797647.db2.gz AIUWQVGFBGPICO-UHFFFAOYSA-N 1 2 327.384 3.228 20 5 EGBDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347066 453797787 /nfs/dbraw/zinc/79/77/87/453797787.db2.gz ZEYXTKQGUZEPSY-CQSZACIVSA-N 1 2 327.384 3.362 20 5 EGBDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026347066 453797788 /nfs/dbraw/zinc/79/77/88/453797788.db2.gz ZEYXTKQGUZEPSY-CQSZACIVSA-N 1 2 327.384 3.362 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029533780 453829620 /nfs/dbraw/zinc/82/96/20/453829620.db2.gz AFHUKIJKUUAVNS-SFHVURJKSA-N 1 2 328.368 3.177 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029533780 453829621 /nfs/dbraw/zinc/82/96/21/453829621.db2.gz AFHUKIJKUUAVNS-SFHVURJKSA-N 1 2 328.368 3.177 20 5 EGBDLO Cc1ccc(C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)o1 ZINC000052993933 453852497 /nfs/dbraw/zinc/85/24/97/453852497.db2.gz KRKLPJAIVZMQDS-UHFFFAOYSA-N 1 2 343.383 3.408 20 5 EGBDLO Cc1ccc(C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)o1 ZINC000052993933 453852499 /nfs/dbraw/zinc/85/24/99/453852499.db2.gz KRKLPJAIVZMQDS-UHFFFAOYSA-N 1 2 343.383 3.408 20 5 EGBDLO O=C(CSc1nc2ccccc2c2[nH+]c3ccccc3n21)N1CCC1 ZINC000032316252 453867483 /nfs/dbraw/zinc/86/74/83/453867483.db2.gz HGHXAXMTHDLTRI-UHFFFAOYSA-N 1 2 348.431 3.360 20 5 EGBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000032935953 453898510 /nfs/dbraw/zinc/89/85/10/453898510.db2.gz DKNKJWJVCPAIMY-AWEZNQCLSA-N 1 2 331.376 3.028 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000054393095 453928325 /nfs/dbraw/zinc/92/83/25/453928325.db2.gz BAJCRILQWGTJGA-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000054393095 453928327 /nfs/dbraw/zinc/92/83/27/453928327.db2.gz BAJCRILQWGTJGA-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc2[nH+]ccn2c1 ZINC000084776455 454010054 /nfs/dbraw/zinc/01/00/54/454010054.db2.gz PHNLDDFHZCPYBC-UHFFFAOYSA-N 1 2 333.307 3.043 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1 ZINC000088701085 454117198 /nfs/dbraw/zinc/11/71/98/454117198.db2.gz QWYDLKXWPVGSNL-AWEZNQCLSA-N 1 2 342.399 3.135 20 5 EGBDLO CCc1cc(N[C@H](C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000088758085 454118819 /nfs/dbraw/zinc/11/88/19/454118819.db2.gz JIDDCJRNVFIWFF-GFCCVEGCSA-N 1 2 330.388 3.187 20 5 EGBDLO CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598948 454264031 /nfs/dbraw/zinc/26/40/31/454264031.db2.gz ONQCAFPXCDYVKD-OAHLLOKOSA-N 1 2 335.448 3.358 20 5 EGBDLO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046598948 454264035 /nfs/dbraw/zinc/26/40/35/454264035.db2.gz ONQCAFPXCDYVKD-OAHLLOKOSA-N 1 2 335.448 3.358 20 5 EGBDLO Cc1cnc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078663995 454294598 /nfs/dbraw/zinc/29/45/98/454294598.db2.gz RQDWXSHEOQPMLP-CQSZACIVSA-N 1 2 336.342 3.291 20 5 EGBDLO Cc1cnc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078663989 454294753 /nfs/dbraw/zinc/29/47/53/454294753.db2.gz RQDWXSHEOQPMLP-AWEZNQCLSA-N 1 2 336.342 3.291 20 5 EGBDLO C[N@H+](Cc1ccsc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406675 454368442 /nfs/dbraw/zinc/36/84/42/454368442.db2.gz MZQGDBPCTONCFS-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO C[N@@H+](Cc1ccsc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406675 454368445 /nfs/dbraw/zinc/36/84/45/454368445.db2.gz MZQGDBPCTONCFS-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO Cc1cc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000097095963 454404967 /nfs/dbraw/zinc/40/49/67/454404967.db2.gz ATMJHQVHSWBALN-CQSZACIVSA-N 1 2 329.360 3.385 20 5 EGBDLO Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc[nH+]1 ZINC000073462620 454438174 /nfs/dbraw/zinc/43/81/74/454438174.db2.gz PUFCMOMZGOIPCG-UHFFFAOYSA-N 1 2 343.386 3.497 20 5 EGBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000092191447 454535293 /nfs/dbraw/zinc/53/52/93/454535293.db2.gz JZPUHHHVARTTTN-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000104677837 454595202 /nfs/dbraw/zinc/59/52/02/454595202.db2.gz VCAKEWYXLRGZSH-JTQLQIEISA-N 1 2 333.310 3.114 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000104677837 454595206 /nfs/dbraw/zinc/59/52/06/454595206.db2.gz VCAKEWYXLRGZSH-JTQLQIEISA-N 1 2 333.310 3.114 20 5 EGBDLO C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065623488 454606796 /nfs/dbraw/zinc/60/67/96/454606796.db2.gz VUNSGGCUENPRTA-STQMWFEESA-N 1 2 328.372 3.184 20 5 EGBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135230820 454650078 /nfs/dbraw/zinc/65/00/78/454650078.db2.gz LTCVEQHCEBYJTR-GASCZTMLSA-N 1 2 345.443 3.064 20 5 EGBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135230820 454650084 /nfs/dbraw/zinc/65/00/84/454650084.db2.gz LTCVEQHCEBYJTR-GASCZTMLSA-N 1 2 345.443 3.064 20 5 EGBDLO CC[C@H](C)CN(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176628086 454765439 /nfs/dbraw/zinc/76/54/39/454765439.db2.gz DGBRQBOMGBPVCM-ZDUSSCGKSA-N 1 2 330.388 3.289 20 5 EGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000125497124 454826477 /nfs/dbraw/zinc/82/64/77/454826477.db2.gz LPRLSQUJODXJCH-UHFFFAOYSA-N 1 2 334.372 3.153 20 5 EGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000125497124 454826478 /nfs/dbraw/zinc/82/64/78/454826478.db2.gz LPRLSQUJODXJCH-UHFFFAOYSA-N 1 2 334.372 3.153 20 5 EGBDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153807156 454835887 /nfs/dbraw/zinc/83/58/87/454835887.db2.gz VMHHCUNUESFLBV-UHFFFAOYSA-N 1 2 349.753 3.324 20 5 EGBDLO Cn1cc[nH+]c1CSc1ccc(Br)cc1[N+](=O)[O-] ZINC000177454314 454865820 /nfs/dbraw/zinc/86/58/20/454865820.db2.gz SUKFRYXSKCYGBH-UHFFFAOYSA-N 1 2 328.191 3.383 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000179862730 455090802 /nfs/dbraw/zinc/09/08/02/455090802.db2.gz DVUXDSTYGDLHPE-UHFFFAOYSA-N 1 2 328.372 3.443 20 5 EGBDLO CC(C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000174484506 455397028 /nfs/dbraw/zinc/39/70/28/455397028.db2.gz KOHQYMZLPBJDRH-UHFFFAOYSA-N 1 2 342.399 3.289 20 5 EGBDLO Cc1c(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000175302965 455436225 /nfs/dbraw/zinc/43/62/25/455436225.db2.gz DLXKTLADAJUROZ-AWEZNQCLSA-N 1 2 329.360 3.385 20 5 EGBDLO Cc1nc(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268507000 455702645 /nfs/dbraw/zinc/70/26/45/455702645.db2.gz REBNKSVRRHMENH-VXGBXAGGSA-N 1 2 343.387 3.050 20 5 EGBDLO CC(C)N(CC1CCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195137242 455925812 /nfs/dbraw/zinc/92/58/12/455925812.db2.gz BZOAOJNCPLXBEA-UHFFFAOYSA-N 1 2 342.399 3.431 20 5 EGBDLO CC(C)c1nnc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000296484185 455952045 /nfs/dbraw/zinc/95/20/45/455952045.db2.gz OKFSQXZTLYGUJJ-AWEZNQCLSA-N 1 2 329.404 3.349 20 5 EGBDLO CC1=C(Br)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280526072 455989806 /nfs/dbraw/zinc/98/98/06/455989806.db2.gz CQNYYZKETSVANG-AWEZNQCLSA-N 1 2 341.205 3.003 20 5 EGBDLO CC1=C(Br)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280526072 455989813 /nfs/dbraw/zinc/98/98/13/455989813.db2.gz CQNYYZKETSVANG-AWEZNQCLSA-N 1 2 341.205 3.003 20 5 EGBDLO Cc1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301440578 456116919 /nfs/dbraw/zinc/11/69/19/456116919.db2.gz MLLACFKLXRLINJ-INIZCTEOSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000263768617 456218270 /nfs/dbraw/zinc/21/82/70/456218270.db2.gz SDMBPFAJQWFWTG-AWEZNQCLSA-N 1 2 342.399 3.135 20 5 EGBDLO COc1cccc(C(F)(F)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000353105356 456492525 /nfs/dbraw/zinc/49/25/25/456492525.db2.gz BCMGUULOHOLKIK-ALCCZGGFSA-N 1 2 349.337 3.393 20 5 EGBDLO COCc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000353228058 456574397 /nfs/dbraw/zinc/57/43/97/456574397.db2.gz PSZVPWOZYNNYKP-UHFFFAOYSA-N 1 2 327.793 3.141 20 5 EGBDLO CCc1cc(NC[C@@H]2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277016801 456654913 /nfs/dbraw/zinc/65/49/13/456654913.db2.gz YNVNWUZSBFSOGZ-MLGOLLRUSA-N 1 2 342.399 3.187 20 5 EGBDLO CC1(C)C(=O)NCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000353416170 456687695 /nfs/dbraw/zinc/68/76/95/456687695.db2.gz LLZRJYIFQSQFKZ-UHFFFAOYSA-N 1 2 345.424 3.034 20 5 EGBDLO CC1(C)C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000353416170 456687700 /nfs/dbraw/zinc/68/77/00/456687700.db2.gz LLZRJYIFQSQFKZ-UHFFFAOYSA-N 1 2 345.424 3.034 20 5 EGBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283205529 456736522 /nfs/dbraw/zinc/73/65/22/456736522.db2.gz RPQHEAAJIQVHRP-UHFFFAOYSA-N 1 2 334.376 3.384 20 5 EGBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283205529 456736527 /nfs/dbraw/zinc/73/65/27/456736527.db2.gz RPQHEAAJIQVHRP-UHFFFAOYSA-N 1 2 334.376 3.384 20 5 EGBDLO CC(C)OCc1nc([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])no1 ZINC000356530326 457038821 /nfs/dbraw/zinc/03/88/21/457038821.db2.gz RLOYFLFRVGYCOO-WOLRVDTOSA-N 1 2 346.387 3.267 20 5 EGBDLO O=[N+]([O-])c1ccn(C2CCN(c3[nH+]ccc4ccc(F)cc43)CC2)n1 ZINC000362676611 457039100 /nfs/dbraw/zinc/03/91/00/457039100.db2.gz VVHPPUBSSDXDFJ-UHFFFAOYSA-N 1 2 341.346 3.320 20 5 EGBDLO CCC(=O)c1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000358944475 457040105 /nfs/dbraw/zinc/04/01/05/457040105.db2.gz DWVVSCUTHGTGBR-UHFFFAOYSA-N 1 2 328.372 3.497 20 5 EGBDLO Cc1c(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000330692952 457071789 /nfs/dbraw/zinc/07/17/89/457071789.db2.gz RWZDGIZNABWHMV-UHFFFAOYSA-N 1 2 347.459 3.372 20 5 EGBDLO Cc1c(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000330692952 457071790 /nfs/dbraw/zinc/07/17/90/457071790.db2.gz RWZDGIZNABWHMV-UHFFFAOYSA-N 1 2 347.459 3.372 20 5 EGBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000346704716 457121732 /nfs/dbraw/zinc/12/17/32/457121732.db2.gz IOVUYQPSFVRTHB-UHFFFAOYSA-N 1 2 333.307 3.043 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000342366624 457260320 /nfs/dbraw/zinc/26/03/20/457260320.db2.gz JJRBLMYXPUWQGV-UHFFFAOYSA-N 1 2 334.401 3.091 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000332194075 457325372 /nfs/dbraw/zinc/32/53/72/457325372.db2.gz YPKCDOSQZXLBJP-HIFRSBDPSA-N 1 2 349.456 3.202 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000332194075 457325375 /nfs/dbraw/zinc/32/53/75/457325375.db2.gz YPKCDOSQZXLBJP-HIFRSBDPSA-N 1 2 349.456 3.202 20 5 EGBDLO CC1(C)CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000360854730 457386487 /nfs/dbraw/zinc/38/64/87/457386487.db2.gz VDYXBDJQYUIAMM-AWEZNQCLSA-N 1 2 342.399 3.337 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000370037448 457513127 /nfs/dbraw/zinc/51/31/27/457513127.db2.gz NJVBZASYDWOWRY-GFCCVEGCSA-N 1 2 343.412 3.275 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000370037448 457513130 /nfs/dbraw/zinc/51/31/30/457513130.db2.gz NJVBZASYDWOWRY-GFCCVEGCSA-N 1 2 343.412 3.275 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425447411 457558042 /nfs/dbraw/zinc/55/80/42/457558042.db2.gz RSBGCHVJMAATRV-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425447411 457558049 /nfs/dbraw/zinc/55/80/49/457558049.db2.gz RSBGCHVJMAATRV-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1cc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc[nH+]1 ZINC000444007371 457841564 /nfs/dbraw/zinc/84/15/64/457841564.db2.gz FWNOFQFDNWEDQX-UHFFFAOYSA-N 1 2 329.359 3.059 20 5 EGBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000434798147 458054522 /nfs/dbraw/zinc/05/45/22/458054522.db2.gz XJQUUZXOTULXEC-ROUUACIJSA-N 1 2 340.379 3.474 20 5 EGBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000434798147 458054527 /nfs/dbraw/zinc/05/45/27/458054527.db2.gz XJQUUZXOTULXEC-ROUUACIJSA-N 1 2 340.379 3.474 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncnc3sc([N+](=O)[O-])cc31)CCC2 ZINC000376403789 458290463 /nfs/dbraw/zinc/29/04/63/458290463.db2.gz PZZWWNGLHBGBHA-JTQLQIEISA-N 1 2 344.400 3.094 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000376494050 458318296 /nfs/dbraw/zinc/31/82/96/458318296.db2.gz CHTMGQSVUVACHS-CQSZACIVSA-N 1 2 338.379 3.134 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000376494050 458318298 /nfs/dbraw/zinc/31/82/98/458318298.db2.gz CHTMGQSVUVACHS-CQSZACIVSA-N 1 2 338.379 3.134 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459585749 458421028 /nfs/dbraw/zinc/42/10/28/458421028.db2.gz VGJYREKMWPRZTG-MRXNPFEDSA-N 1 2 326.400 3.446 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459585749 458421033 /nfs/dbraw/zinc/42/10/33/458421033.db2.gz VGJYREKMWPRZTG-MRXNPFEDSA-N 1 2 326.400 3.446 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437579024 458470180 /nfs/dbraw/zinc/47/01/80/458470180.db2.gz ORJJYMFPJMIHLX-CJNGLKHVSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]1c1ccccc1 ZINC000437579024 458470184 /nfs/dbraw/zinc/47/01/84/458470184.db2.gz ORJJYMFPJMIHLX-CJNGLKHVSA-N 1 2 325.368 3.369 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000462603334 458634568 /nfs/dbraw/zinc/63/45/68/458634568.db2.gz QHUCRBJNLGYCTH-AWEZNQCLSA-N 1 2 338.367 3.450 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000456368743 458649920 /nfs/dbraw/zinc/64/99/20/458649920.db2.gz CLLIHUMVKRJDGJ-JTQLQIEISA-N 1 2 334.401 3.024 20 5 EGBDLO CO[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462914166 458665782 /nfs/dbraw/zinc/66/57/82/458665782.db2.gz PLGOTTKKHBBBFR-HZPDHXFCSA-N 1 2 342.399 3.152 20 5 EGBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000547974878 458817229 /nfs/dbraw/zinc/81/72/29/458817229.db2.gz ZPNLEOIFDHUEHU-SFHVURJKSA-N 1 2 342.395 3.201 20 5 EGBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000547974878 458817235 /nfs/dbraw/zinc/81/72/35/458817235.db2.gz ZPNLEOIFDHUEHU-SFHVURJKSA-N 1 2 342.395 3.201 20 5 EGBDLO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000595424255 459297353 /nfs/dbraw/zinc/29/73/53/459297353.db2.gz PWSDDTFKMXTENC-CQSZACIVSA-N 1 2 334.351 3.481 20 5 EGBDLO COC(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000591150956 459323492 /nfs/dbraw/zinc/32/34/92/459323492.db2.gz ZQTPHPSGTKCPJD-UHFFFAOYSA-N 1 2 329.356 3.288 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)nc2c1 ZINC000595821785 459453129 /nfs/dbraw/zinc/45/31/29/459453129.db2.gz GBVWYVPBNVAKED-UHFFFAOYSA-N 1 2 343.383 3.127 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)nc2c1 ZINC000595821785 459453143 /nfs/dbraw/zinc/45/31/43/459453143.db2.gz GBVWYVPBNVAKED-UHFFFAOYSA-N 1 2 343.383 3.127 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915715 459529492 /nfs/dbraw/zinc/52/94/92/459529492.db2.gz QHARYUZTWZLHJB-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915715 459529496 /nfs/dbraw/zinc/52/94/96/459529496.db2.gz QHARYUZTWZLHJB-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO COc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000609287672 459935068 /nfs/dbraw/zinc/93/50/68/459935068.db2.gz MRUVIXYIDHGHDI-GFCCVEGCSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000609287672 459935076 /nfs/dbraw/zinc/93/50/76/459935076.db2.gz MRUVIXYIDHGHDI-GFCCVEGCSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1ncccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602510510 459974738 /nfs/dbraw/zinc/97/47/38/459974738.db2.gz XPLVBNUXBHEMPR-UHFFFAOYSA-N 1 2 341.289 3.307 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002188 460049110 /nfs/dbraw/zinc/04/91/10/460049110.db2.gz KAYMUPYTHOIOPO-JTQLQIEISA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002188 460049115 /nfs/dbraw/zinc/04/91/15/460049115.db2.gz KAYMUPYTHOIOPO-JTQLQIEISA-N 1 2 336.285 3.277 20 5 EGBDLO CCOC(=O)CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000594055273 460077388 /nfs/dbraw/zinc/07/73/88/460077388.db2.gz YMCJPTBQAADOCC-UHFFFAOYSA-N 1 2 330.331 3.037 20 5 EGBDLO CCOC(=O)CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000594055273 460077391 /nfs/dbraw/zinc/07/73/91/460077391.db2.gz YMCJPTBQAADOCC-UHFFFAOYSA-N 1 2 330.331 3.037 20 5 EGBDLO Cc1ccc(F)c(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000618614491 460086081 /nfs/dbraw/zinc/08/60/81/460086081.db2.gz ABFMNDSOEYZOQM-UHFFFAOYSA-N 1 2 346.358 3.446 20 5 EGBDLO Cc1ccc(F)c(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000618614491 460086086 /nfs/dbraw/zinc/08/60/86/460086086.db2.gz ABFMNDSOEYZOQM-UHFFFAOYSA-N 1 2 346.358 3.446 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)ccc2n1C ZINC000610310279 460115628 /nfs/dbraw/zinc/11/56/28/460115628.db2.gz GLZKBBSTEWDNKC-UHFFFAOYSA-N 1 2 328.303 3.181 20 5 EGBDLO O=C(NCCCC1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598216333 460207198 /nfs/dbraw/zinc/20/71/98/460207198.db2.gz QLQRWCGJBJYOCN-UHFFFAOYSA-N 1 2 328.372 3.091 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584843 460280046 /nfs/dbraw/zinc/28/00/46/460280046.db2.gz CEHLBOLWAJDLMR-DGCLKSJQSA-N 1 2 340.445 3.456 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584843 460280047 /nfs/dbraw/zinc/28/00/47/460280047.db2.gz CEHLBOLWAJDLMR-DGCLKSJQSA-N 1 2 340.445 3.456 20 5 EGBDLO COC[C@@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683315 460309463 /nfs/dbraw/zinc/30/94/63/460309463.db2.gz QZECFYFTTIKIPS-MLGOLLRUSA-N 1 2 345.399 3.416 20 5 EGBDLO COC[C@@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683315 460309468 /nfs/dbraw/zinc/30/94/68/460309468.db2.gz QZECFYFTTIKIPS-MLGOLLRUSA-N 1 2 345.399 3.416 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCc3cccc(F)c3C1)OCCO2 ZINC000611272036 460324590 /nfs/dbraw/zinc/32/45/90/460324590.db2.gz KRQOASSWBZNUHM-UHFFFAOYSA-N 1 2 344.342 3.063 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCc3cccc(F)c3C1)OCCO2 ZINC000611272036 460324596 /nfs/dbraw/zinc/32/45/96/460324596.db2.gz KRQOASSWBZNUHM-UHFFFAOYSA-N 1 2 344.342 3.063 20 5 EGBDLO Cc1cccc([C@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000604432661 460425798 /nfs/dbraw/zinc/42/57/98/460425798.db2.gz KWQOZBHIISWRDV-INIZCTEOSA-N 1 2 347.440 3.450 20 5 EGBDLO CCOC[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600201785 460435887 /nfs/dbraw/zinc/43/58/87/460435887.db2.gz XBPRNKCBFBWEQD-KRWDZBQOSA-N 1 2 346.383 3.092 20 5 EGBDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600201785 460435894 /nfs/dbraw/zinc/43/58/94/460435894.db2.gz XBPRNKCBFBWEQD-KRWDZBQOSA-N 1 2 346.383 3.092 20 5 EGBDLO Cc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000187661551 533917508 /nfs/dbraw/zinc/91/75/08/533917508.db2.gz DEVARTPNUVJICF-UHFFFAOYSA-N 1 2 330.306 3.247 20 5 EGBDLO COC(=O)c1occc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153313510 534381501 /nfs/dbraw/zinc/38/15/01/534381501.db2.gz HYRKJWFEZICEIU-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1occc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153313510 534381507 /nfs/dbraw/zinc/38/15/07/534381507.db2.gz HYRKJWFEZICEIU-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000734340736 575471738 /nfs/dbraw/zinc/47/17/38/575471738.db2.gz QWMNYRVJAPZNMD-LBPRGKRZSA-N 1 2 330.388 3.193 20 5 EGBDLO COc1ccc(CC(N)=[NH+]OCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000734834473 575563429 /nfs/dbraw/zinc/56/34/29/575563429.db2.gz QYQKPTJUTXFFQL-UHFFFAOYSA-N 1 2 349.774 3.498 20 5 EGBDLO CSCC[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000736297259 575928882 /nfs/dbraw/zinc/92/88/82/575928882.db2.gz UIUFGXMQBSQRCA-NSHDSACASA-N 1 2 332.429 3.336 20 5 EGBDLO CC(C)COC(=O)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000743843400 576816539 /nfs/dbraw/zinc/81/65/39/576816539.db2.gz OIJYWHBTQUWRHB-AWEZNQCLSA-N 1 2 335.404 3.066 20 5 EGBDLO O=C(OCCc1cccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000065663399 1292085964 /nfs/dbraw/zinc/08/59/64/1292085964.db2.gz CKUMCMQZHVAHPC-UHFFFAOYSA-N 1 2 343.364 3.242 20 5 EGBDLO Cc1nn(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c(C)c1[N+](=O)[O-] ZINC000116868244 1293210789 /nfs/dbraw/zinc/21/07/89/1293210789.db2.gz SWESGNFBZISKPF-UHFFFAOYSA-N 1 2 344.415 3.217 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1c1ccccc1 ZINC000247398863 1296391918 /nfs/dbraw/zinc/39/19/18/1296391918.db2.gz HMMPGVNJVMRIGK-SJKOYZFVSA-N 1 2 339.351 3.153 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1c1ccccc1 ZINC000247398863 1296391932 /nfs/dbraw/zinc/39/19/32/1296391932.db2.gz HMMPGVNJVMRIGK-SJKOYZFVSA-N 1 2 339.351 3.153 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCC1(F)F ZINC000878625538 1300115090 /nfs/dbraw/zinc/11/50/90/1300115090.db2.gz WOLQEFHACJPHSQ-SNVBAGLBSA-N 1 2 338.314 3.122 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCC1(F)F ZINC000878625538 1300115093 /nfs/dbraw/zinc/11/50/93/1300115093.db2.gz WOLQEFHACJPHSQ-SNVBAGLBSA-N 1 2 338.314 3.122 20 5 EGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000754496193 1300152269 /nfs/dbraw/zinc/15/22/69/1300152269.db2.gz XGCRVTPFKYGLQT-UHFFFAOYSA-N 1 2 341.298 3.277 20 5 EGBDLO C[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000761600878 1301507854 /nfs/dbraw/zinc/50/78/54/1301507854.db2.gz VWDXPPMQLBBMEN-CZUORRHYSA-N 1 2 344.415 3.126 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2nc(C)c3cc([N+](=O)[O-])ccc32)on1 ZINC000764899235 1302161796 /nfs/dbraw/zinc/16/17/96/1302161796.db2.gz NVMRALJICFNZJX-INIZCTEOSA-N 1 2 341.371 3.344 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cn2nc(C)c3cc([N+](=O)[O-])ccc32)on1 ZINC000764899235 1302161801 /nfs/dbraw/zinc/16/18/01/1302161801.db2.gz NVMRALJICFNZJX-INIZCTEOSA-N 1 2 341.371 3.344 20 5 EGBDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cccnc1[N+](=O)[O-] ZINC000885935244 1303285498 /nfs/dbraw/zinc/28/54/98/1303285498.db2.gz GLSGZOZAGZJGAK-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cccnc1[N+](=O)[O-] ZINC000885935244 1303285501 /nfs/dbraw/zinc/28/55/01/1303285501.db2.gz GLSGZOZAGZJGAK-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000886083399 1303349986 /nfs/dbraw/zinc/34/99/86/1303349986.db2.gz JGXXBUPDYOFMRX-ZDUSSCGKSA-N 1 2 333.775 3.297 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000886083399 1303349990 /nfs/dbraw/zinc/34/99/90/1303349990.db2.gz JGXXBUPDYOFMRX-ZDUSSCGKSA-N 1 2 333.775 3.297 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000886295933 1303424719 /nfs/dbraw/zinc/42/47/19/1303424719.db2.gz SPHOABPCMLREKH-UHFFFAOYSA-N 1 2 331.347 3.172 20 5 EGBDLO Cc1c(NC(=O)CC[N@H+](CC(F)F)C2CCC2)cccc1[N+](=O)[O-] ZINC000887100580 1303675497 /nfs/dbraw/zinc/67/54/97/1303675497.db2.gz IHDFSIWOOBJLEC-UHFFFAOYSA-N 1 2 341.358 3.351 20 5 EGBDLO Cc1c(NC(=O)CC[N@@H+](CC(F)F)C2CCC2)cccc1[N+](=O)[O-] ZINC000887100580 1303675501 /nfs/dbraw/zinc/67/55/01/1303675501.db2.gz IHDFSIWOOBJLEC-UHFFFAOYSA-N 1 2 341.358 3.351 20 5 EGBDLO CC(C)C[C@H]1COCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954968 1304371867 /nfs/dbraw/zinc/37/18/67/1304371867.db2.gz GINROAUGUGBOSW-SFHVURJKSA-N 1 2 344.415 3.163 20 5 EGBDLO CC(C)C[C@H]1COCC[N@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954968 1304371874 /nfs/dbraw/zinc/37/18/74/1304371874.db2.gz GINROAUGUGBOSW-SFHVURJKSA-N 1 2 344.415 3.163 20 5 EGBDLO Cn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C2CC2)n1 ZINC000891624200 1305114597 /nfs/dbraw/zinc/11/45/97/1305114597.db2.gz VPPJTBQONLMYKU-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO Cn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C2CC2)n1 ZINC000891624200 1305114604 /nfs/dbraw/zinc/11/46/04/1305114604.db2.gz VPPJTBQONLMYKU-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO C[NH+](C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000784587983 1305263065 /nfs/dbraw/zinc/26/30/65/1305263065.db2.gz IYJLAQUJDQVKQG-INIZCTEOSA-N 1 2 332.331 3.080 20 5 EGBDLO CC1(C)C[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC(C)(C)O1 ZINC000785515554 1305369739 /nfs/dbraw/zinc/36/97/39/1305369739.db2.gz TUJYGAASTJMRCD-UHFFFAOYSA-N 1 2 344.415 3.305 20 5 EGBDLO COc1cc(C[NH2+][C@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1OC ZINC000892856354 1305580204 /nfs/dbraw/zinc/58/02/04/1305580204.db2.gz PHFJMNBGGVEHGV-SNVBAGLBSA-N 1 2 337.401 3.228 20 5 EGBDLO Nc1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000786574750 1305602007 /nfs/dbraw/zinc/60/20/07/1305602007.db2.gz PBXLYJSDPUTYMT-UHFFFAOYSA-N 1 2 346.818 3.153 20 5 EGBDLO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000788540665 1305966122 /nfs/dbraw/zinc/96/61/22/1305966122.db2.gz TUIQWYHDPVUWCI-MSOLQXFVSA-N 1 2 330.384 3.148 20 5 EGBDLO CCC(=O)c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000795085238 1309664447 /nfs/dbraw/zinc/66/44/47/1309664447.db2.gz IAIUBQBSJOLCOB-AWEZNQCLSA-N 1 2 328.372 3.226 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000896979353 1310116841 /nfs/dbraw/zinc/11/68/41/1310116841.db2.gz IQXXFXGUQLLTAY-XJKSGUPXSA-N 1 2 342.399 3.131 20 5 EGBDLO CC[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCCO1 ZINC000799162655 1310495369 /nfs/dbraw/zinc/49/53/69/1310495369.db2.gz ZOULHMIPDVOMHQ-CYBMUJFWSA-N 1 2 338.795 3.056 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCCO1 ZINC000799162655 1310495376 /nfs/dbraw/zinc/49/53/76/1310495376.db2.gz ZOULHMIPDVOMHQ-CYBMUJFWSA-N 1 2 338.795 3.056 20 5 EGBDLO Cn1cc[nH+]c1CCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000802788510 1317039714 /nfs/dbraw/zinc/03/97/14/1317039714.db2.gz ZJXXUCUAUHTGDI-UHFFFAOYSA-N 1 2 345.380 3.333 20 5 EGBDLO C[N@H+](CC(F)F)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804536327 1317257138 /nfs/dbraw/zinc/25/71/38/1317257138.db2.gz SSECJXYKNYEKOK-UHFFFAOYSA-N 1 2 333.766 3.414 20 5 EGBDLO C[N@@H+](CC(F)F)C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804536327 1317257143 /nfs/dbraw/zinc/25/71/43/1317257143.db2.gz SSECJXYKNYEKOK-UHFFFAOYSA-N 1 2 333.766 3.414 20 5 EGBDLO Cc1ccnc(-c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)c1 ZINC000904938995 1317911562 /nfs/dbraw/zinc/91/15/62/1317911562.db2.gz AYAQBWYTCCIEMN-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1F ZINC000813174453 1318510519 /nfs/dbraw/zinc/51/05/19/1318510519.db2.gz SZUMOGSHTAHZNY-HNNXBMFYSA-N 1 2 344.342 3.165 20 5 EGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1F ZINC000813174453 1318510525 /nfs/dbraw/zinc/51/05/25/1318510525.db2.gz SZUMOGSHTAHZNY-HNNXBMFYSA-N 1 2 344.342 3.165 20 5 EGBDLO Cc1cc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000823056977 1320149921 /nfs/dbraw/zinc/14/99/21/1320149921.db2.gz LEFJURRAFWRMPV-SJORKVTESA-N 1 2 325.368 3.027 20 5 EGBDLO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839675048 1320957676 /nfs/dbraw/zinc/95/76/76/1320957676.db2.gz OAVQHTJQMVPGSC-UWVGGRQHSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839675048 1320957682 /nfs/dbraw/zinc/95/76/82/1320957682.db2.gz OAVQHTJQMVPGSC-UWVGGRQHSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)F ZINC000842440102 1321386965 /nfs/dbraw/zinc/38/69/65/1321386965.db2.gz IYWWNWYGXMUHKQ-JTQLQIEISA-N 1 2 339.298 3.229 20 5 EGBDLO O=C(C[N@@H+]1CCCC(F)(F)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859534926 1329011234 /nfs/dbraw/zinc/01/12/34/1329011234.db2.gz HIDJADRGDVUFMJ-UHFFFAOYSA-N 1 2 347.749 3.308 20 5 EGBDLO O=C(C[N@H+]1CCCC(F)(F)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859534926 1329011237 /nfs/dbraw/zinc/01/12/37/1329011237.db2.gz HIDJADRGDVUFMJ-UHFFFAOYSA-N 1 2 347.749 3.308 20 5 EGBDLO NC(=O)c1cc(Nc2ccc([NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000853084735 1323276552 /nfs/dbraw/zinc/27/65/52/1323276552.db2.gz ZMOFJYGOUBSTLI-UHFFFAOYSA-N 1 2 340.383 3.428 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1COc1ccccc1-n1cc[nH+]c1 ZINC000864046593 1329594865 /nfs/dbraw/zinc/59/48/65/1329594865.db2.gz GXGXKDVDYFGLSN-UHFFFAOYSA-N 1 2 325.324 3.368 20 5 EGBDLO COc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1F ZINC001116439061 1370911525 /nfs/dbraw/zinc/91/15/25/1370911525.db2.gz FQPDZSWQPCXVNB-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)Cc2ccccc21 ZINC001118846960 1371238981 /nfs/dbraw/zinc/23/89/81/1371238981.db2.gz BTHGGBFRNORTSY-HNNXBMFYSA-N 1 2 344.342 3.006 20 5 EGBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)Cc2ccccc21 ZINC001118846960 1371238984 /nfs/dbraw/zinc/23/89/84/1371238984.db2.gz BTHGGBFRNORTSY-HNNXBMFYSA-N 1 2 344.342 3.006 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001225620368 1375133335 /nfs/dbraw/zinc/13/33/35/1375133335.db2.gz OYYFJVIFOXIDPW-AWEZNQCLSA-N 1 2 346.358 3.483 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1O[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001225620368 1375133340 /nfs/dbraw/zinc/13/33/40/1375133340.db2.gz OYYFJVIFOXIDPW-AWEZNQCLSA-N 1 2 346.358 3.483 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c(Cl)c1 ZINC001155087096 1380405881 /nfs/dbraw/zinc/40/58/81/1380405881.db2.gz SHZRXFXGRHDOCV-INIZCTEOSA-N 1 2 344.802 3.063 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c(Cl)c1 ZINC001155087096 1380405882 /nfs/dbraw/zinc/40/58/82/1380405882.db2.gz SHZRXFXGRHDOCV-INIZCTEOSA-N 1 2 344.802 3.063 20 5 EGBDLO CCOc1nc(NCC(C)(C)c2cc(OC)cc[nH+]2)ccc1[N+](=O)[O-] ZINC001162129608 1382634298 /nfs/dbraw/zinc/63/42/98/1382634298.db2.gz KPRIMSDAOYMOKL-UHFFFAOYSA-N 1 2 346.387 3.182 20 5 EGBDLO CCOC(=O)C1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001173220924 1384938698 /nfs/dbraw/zinc/93/86/98/1384938698.db2.gz IEGNRNVPIVORAH-CQSZACIVSA-N 1 2 334.416 3.381 20 5 EGBDLO Nc1ccc2n(-c3ccc4[nH+]ccn4c3)c3ccccc3cc-2c1=O ZINC001174279871 1385091702 /nfs/dbraw/zinc/09/17/02/1385091702.db2.gz LMVNNBCRGARCAS-UHFFFAOYSA-N 1 2 326.359 3.325 20 5 EGBDLO COCCOc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC001334694837 1390568068 /nfs/dbraw/zinc/56/80/68/1390568068.db2.gz SCZKSNJDSPOGJG-UHFFFAOYSA-N 1 2 340.763 3.156 20 5 EGBDLO CC(C)(O)C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001351332928 1391627838 /nfs/dbraw/zinc/62/78/38/1391627838.db2.gz PODBLKOVQADDKC-UHFFFAOYSA-N 1 2 343.221 3.093 20 5 EGBDLO CC(C)(O)C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001351332928 1391627839 /nfs/dbraw/zinc/62/78/39/1391627839.db2.gz PODBLKOVQADDKC-UHFFFAOYSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000129323581 223044796 /nfs/dbraw/zinc/04/47/96/223044796.db2.gz CZHJQFNNGFWMNV-ZDUSSCGKSA-N 1 2 345.424 3.175 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cs1 ZINC000266081638 248083996 /nfs/dbraw/zinc/08/39/96/248083996.db2.gz FWYYOZFDAJQEJZ-LBPRGKRZSA-N 1 2 334.401 3.296 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cs1 ZINC000266081638 248084000 /nfs/dbraw/zinc/08/40/00/248084000.db2.gz FWYYOZFDAJQEJZ-LBPRGKRZSA-N 1 2 334.401 3.296 20 5 EGBDLO COc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1[N+](=O)[O-] ZINC000266196190 248165920 /nfs/dbraw/zinc/16/59/20/248165920.db2.gz CJTUUQBGZITXJA-UHFFFAOYSA-N 1 2 330.388 3.023 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(C(F)(F)F)cc[nH+]1)CCO2 ZINC000357802258 285143121 /nfs/dbraw/zinc/14/31/21/285143121.db2.gz JKMVEYLVQHWQKQ-UHFFFAOYSA-N 1 2 339.273 3.408 20 5 EGBDLO Cn1cc(C[N@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000119665808 221371357 /nfs/dbraw/zinc/37/13/57/221371357.db2.gz RLORFZJHAAERLR-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cn1cc(C[N@@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000119665808 221371361 /nfs/dbraw/zinc/37/13/61/221371361.db2.gz RLORFZJHAAERLR-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+]Cc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000353441877 141296549 /nfs/dbraw/zinc/29/65/49/141296549.db2.gz BVICLGOWBSYMOS-OAHLLOKOSA-N 1 2 328.397 3.269 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])cc1F ZINC000184233360 144089199 /nfs/dbraw/zinc/08/91/99/144089199.db2.gz TWSZMMJXRGAZBU-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])cc1F ZINC000184233360 144089200 /nfs/dbraw/zinc/08/92/00/144089200.db2.gz TWSZMMJXRGAZBU-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]ccc1OC ZINC000185288182 144110110 /nfs/dbraw/zinc/11/01/10/144110110.db2.gz VLSJOGOXBCQXDL-ZDUSSCGKSA-N 1 2 329.356 3.206 20 5 EGBDLO Cc1cccn2cc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000351601926 144286051 /nfs/dbraw/zinc/28/60/51/144286051.db2.gz GZVJRFKLFKYJHF-UHFFFAOYSA-N 1 2 343.318 3.012 20 5 EGBDLO CC(=O)c1cc(N2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000341346695 155246246 /nfs/dbraw/zinc/24/62/46/155246246.db2.gz JYWWJANJBNIHEW-UHFFFAOYSA-N 1 2 345.424 3.181 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000191334969 153189247 /nfs/dbraw/zinc/18/92/47/153189247.db2.gz HONUCLHBHMQXOT-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCCc1[nH+]c2ccccc2n1C ZINC000192641341 153252140 /nfs/dbraw/zinc/25/21/40/153252140.db2.gz ZYSFZVFWRVHRLW-UHFFFAOYSA-N 1 2 342.403 3.051 20 5 EGBDLO Cc1cc(NCC2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000194989828 153369461 /nfs/dbraw/zinc/36/94/61/153369461.db2.gz LTGBKCOQYUAPBO-UHFFFAOYSA-N 1 2 328.372 3.199 20 5 EGBDLO C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000302172299 154025266 /nfs/dbraw/zinc/02/52/66/154025266.db2.gz MCSMJUZHDVPQMT-UMVBOHGHSA-N 1 2 342.399 3.335 20 5 EGBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000340079241 155090793 /nfs/dbraw/zinc/09/07/93/155090793.db2.gz BZAPJVCGJZWOTP-UHFFFAOYSA-N 1 2 327.388 3.030 20 5 EGBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000340079241 155090796 /nfs/dbraw/zinc/09/07/96/155090796.db2.gz BZAPJVCGJZWOTP-UHFFFAOYSA-N 1 2 327.388 3.030 20 5 EGBDLO Cc1ccc(C(=O)CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352621142 156385337 /nfs/dbraw/zinc/38/53/37/156385337.db2.gz MJHMUBOKLIYMAL-UHFFFAOYSA-N 1 2 340.379 3.371 20 5 EGBDLO Cc1ccc(C(=O)CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352621142 156385339 /nfs/dbraw/zinc/38/53/39/156385339.db2.gz MJHMUBOKLIYMAL-UHFFFAOYSA-N 1 2 340.379 3.371 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNc1c3c(ccc1[N+](=O)[O-])NCC3)CCC2 ZINC000365532961 157162119 /nfs/dbraw/zinc/16/21/19/157162119.db2.gz KQEKWELRUJBDEM-LBPRGKRZSA-N 1 2 327.388 3.057 20 5 EGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000126665117 162309914 /nfs/dbraw/zinc/30/99/14/162309914.db2.gz PWGZRXDCEQJPHS-LJQANCHMSA-N 1 2 337.379 3.168 20 5 EGBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000126665117 162309918 /nfs/dbraw/zinc/30/99/18/162309918.db2.gz PWGZRXDCEQJPHS-LJQANCHMSA-N 1 2 337.379 3.168 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](CC2CC2)C1 ZINC000338807223 163353044 /nfs/dbraw/zinc/35/30/44/163353044.db2.gz DCWOUHZDUGVLII-KRWDZBQOSA-N 1 2 345.443 3.053 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2ccn3cc[nH+]c3c2)c(Br)c1 ZINC000354375274 166012681 /nfs/dbraw/zinc/01/26/81/166012681.db2.gz ANYPDJHNPFFUSM-UHFFFAOYSA-N 1 2 348.160 3.012 20 5 EGBDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000343452562 163966541 /nfs/dbraw/zinc/96/65/41/163966541.db2.gz PZGRHVMDJGJZKT-UHFFFAOYSA-N 1 2 348.362 3.043 20 5 EGBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343941199 164070437 /nfs/dbraw/zinc/07/04/37/164070437.db2.gz YTIYOVQPHXBBCB-OAHLLOKOSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343941199 164070440 /nfs/dbraw/zinc/07/04/40/164070440.db2.gz YTIYOVQPHXBBCB-OAHLLOKOSA-N 1 2 347.459 3.452 20 5 EGBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000345661058 164236557 /nfs/dbraw/zinc/23/65/57/164236557.db2.gz KBQAMJUXSVOTSA-UHFFFAOYSA-N 1 2 336.351 3.185 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]cc1C ZINC000355530251 166233509 /nfs/dbraw/zinc/23/35/09/166233509.db2.gz UQEMLWHLDDIMPP-UHFFFAOYSA-N 1 2 331.397 3.475 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178268595 265304821 /nfs/dbraw/zinc/30/48/21/265304821.db2.gz RJHODRKLLZZSQY-GASCZTMLSA-N 1 2 340.383 3.043 20 5 EGBDLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000193383115 266028723 /nfs/dbraw/zinc/02/87/23/266028723.db2.gz KYZQKEURTNAHFJ-JXMROGBWSA-N 1 2 348.362 3.110 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000268478477 266283761 /nfs/dbraw/zinc/28/37/61/266283761.db2.gz NQJBAPSKBSLUIR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000268478477 266283765 /nfs/dbraw/zinc/28/37/65/266283765.db2.gz NQJBAPSKBSLUIR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000268478477 266283767 /nfs/dbraw/zinc/28/37/67/266283767.db2.gz NQJBAPSKBSLUIR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000268478477 266283770 /nfs/dbraw/zinc/28/37/70/266283770.db2.gz NQJBAPSKBSLUIR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268478477 266283773 /nfs/dbraw/zinc/28/37/73/266283773.db2.gz NQJBAPSKBSLUIR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268478477 266283777 /nfs/dbraw/zinc/28/37/77/266283777.db2.gz NQJBAPSKBSLUIR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cn1c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2[nH+]c1C(C)(C)C ZINC000274010993 267164930 /nfs/dbraw/zinc/16/49/30/267164930.db2.gz UXCKDUNAHDDMPQ-UHFFFAOYSA-N 1 2 326.360 3.313 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000274270903 267209935 /nfs/dbraw/zinc/20/99/35/267209935.db2.gz MMTFDVDHICYKQD-UHFFFAOYSA-N 1 2 343.387 3.066 20 5 EGBDLO CCN(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000046599042 275137819 /nfs/dbraw/zinc/13/78/19/275137819.db2.gz QFOBFSAUURXQQN-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CCN(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000046599042 275137821 /nfs/dbraw/zinc/13/78/21/275137821.db2.gz QFOBFSAUURXQQN-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190038378 275220467 /nfs/dbraw/zinc/22/04/67/275220467.db2.gz OFSHPVAWKRIUCN-GOSISDBHSA-N 1 2 342.351 3.136 20 5 EGBDLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000190038378 275220469 /nfs/dbraw/zinc/22/04/69/275220469.db2.gz OFSHPVAWKRIUCN-GOSISDBHSA-N 1 2 342.351 3.136 20 5 EGBDLO Cc1cc(N[C@@H]2CCC[C@@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275048925 275251484 /nfs/dbraw/zinc/25/14/84/275251484.db2.gz SIUFYUVSBFQPME-CZUORRHYSA-N 1 2 342.399 3.323 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279770736 275358153 /nfs/dbraw/zinc/35/81/53/275358153.db2.gz NAWMKLGINJDNSI-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279770736 275358154 /nfs/dbraw/zinc/35/81/54/275358154.db2.gz NAWMKLGINJDNSI-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO CC(=O)c1cc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000286159281 275959451 /nfs/dbraw/zinc/95/94/51/275959451.db2.gz OQJMABQTGRSSFJ-UHFFFAOYSA-N 1 2 340.383 3.405 20 5 EGBDLO CC(C)Oc1cc[nH+]cc1COC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286816008 276046268 /nfs/dbraw/zinc/04/62/68/276046268.db2.gz BVKFONWFQNZBQP-UHFFFAOYSA-N 1 2 330.340 3.063 20 5 EGBDLO COCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000287492407 276124685 /nfs/dbraw/zinc/12/46/85/276124685.db2.gz SVJQNSORMZHKRI-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000287492407 276124686 /nfs/dbraw/zinc/12/46/86/276124686.db2.gz SVJQNSORMZHKRI-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287508491 276126850 /nfs/dbraw/zinc/12/68/50/276126850.db2.gz UJQUHKKDTSXMNA-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000287508491 276126851 /nfs/dbraw/zinc/12/68/51/276126851.db2.gz UJQUHKKDTSXMNA-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000289678628 276376943 /nfs/dbraw/zinc/37/69/43/276376943.db2.gz DYDVFZAGFYXMLM-HNNXBMFYSA-N 1 2 343.383 3.344 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000289678628 276376944 /nfs/dbraw/zinc/37/69/44/276376944.db2.gz DYDVFZAGFYXMLM-HNNXBMFYSA-N 1 2 343.383 3.344 20 5 EGBDLO CNC(=O)C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000361645758 277232165 /nfs/dbraw/zinc/23/21/65/277232165.db2.gz SXYJJIJYKVLJCE-OAHLLOKOSA-N 1 2 347.802 3.215 20 5 EGBDLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000414270586 309069870 /nfs/dbraw/zinc/06/98/70/309069870.db2.gz YRSORHIFQDQSMJ-SECBINFHSA-N 1 2 326.278 3.254 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000294792364 308257461 /nfs/dbraw/zinc/25/74/61/308257461.db2.gz MCNBWDGPAQNCLH-INIZCTEOSA-N 1 2 344.415 3.310 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(c2nc3ccccc3cc2[N+](=O)[O-])CC1(C)C ZINC000295896198 308372179 /nfs/dbraw/zinc/37/21/79/308372179.db2.gz BZXLIFVEQFPEMG-HNNXBMFYSA-N 1 2 337.383 3.464 20 5 EGBDLO CCc1cc(NCC2(O)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301061914 308686672 /nfs/dbraw/zinc/68/66/72/308686672.db2.gz CNQAIYNBYNSHAZ-UHFFFAOYSA-N 1 2 342.399 3.331 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1 ZINC000301660319 308709684 /nfs/dbraw/zinc/70/96/84/308709684.db2.gz CKOHEYLKUYAVBA-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO COC1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000302029824 308725996 /nfs/dbraw/zinc/72/59/96/308725996.db2.gz MOHOOOYCMNDWMV-UHFFFAOYSA-N 1 2 328.372 3.341 20 5 EGBDLO Cc1cccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000302492695 308738232 /nfs/dbraw/zinc/73/82/32/308738232.db2.gz KSCHLEZXWXWORF-OAHLLOKOSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1cc(C)c(CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c[nH+]1 ZINC000412404920 308984972 /nfs/dbraw/zinc/98/49/72/308984972.db2.gz VJEGEJXJJUBGMP-UHFFFAOYSA-N 1 2 343.383 3.324 20 5 EGBDLO CC[C@@H]1C[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000421391467 309322548 /nfs/dbraw/zinc/32/25/48/309322548.db2.gz OXDGQPLDJBWEHP-ZIAGYGMSSA-N 1 2 338.404 3.001 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000421788161 309340122 /nfs/dbraw/zinc/34/01/22/309340122.db2.gz RSMPIZGLIFJMAD-YVEFUNNKSA-N 1 2 342.399 3.131 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)CCC2 ZINC000421790031 309340293 /nfs/dbraw/zinc/34/02/93/309340293.db2.gz CGUVFEUAWYGOME-CQSZACIVSA-N 1 2 342.399 3.024 20 5 EGBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]c1ccc2c(c1)CCN2 ZINC000423204875 309390349 /nfs/dbraw/zinc/39/03/49/309390349.db2.gz ASBHJPGRLCOIEC-LBPRGKRZSA-N 1 2 340.383 3.392 20 5 EGBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423204875 309390350 /nfs/dbraw/zinc/39/03/50/309390350.db2.gz ASBHJPGRLCOIEC-LBPRGKRZSA-N 1 2 340.383 3.392 20 5 EGBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000431509624 309634825 /nfs/dbraw/zinc/63/48/25/309634825.db2.gz VYXSJIIGRWGBLJ-UHFFFAOYSA-N 1 2 325.271 3.212 20 5 EGBDLO C[C@@H]1C[C@H](C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447807075 309989218 /nfs/dbraw/zinc/98/92/18/309989218.db2.gz PCDCPYCGBKHENZ-HZPDHXFCSA-N 1 2 347.459 3.299 20 5 EGBDLO C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448656637 310010950 /nfs/dbraw/zinc/01/09/50/310010950.db2.gz OJYDLPAEEMEEFS-DZGCQCFKSA-N 1 2 342.399 3.431 20 5 EGBDLO CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448697912 310013179 /nfs/dbraw/zinc/01/31/79/310013179.db2.gz CRKBUISGXMFDMK-CYBMUJFWSA-N 1 2 328.372 3.043 20 5 EGBDLO CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448748860 310015727 /nfs/dbraw/zinc/01/57/27/310015727.db2.gz DOVGEUVWZLXLND-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448874982 310021871 /nfs/dbraw/zinc/02/18/71/310021871.db2.gz QKCHHLSOVVEMBQ-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450490673 310125984 /nfs/dbraw/zinc/12/59/84/310125984.db2.gz UJTOSFDSOUFHDX-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO CO[C@@H]([C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000450862364 310146389 /nfs/dbraw/zinc/14/63/89/310146389.db2.gz QSUASKUVSQPKEH-SJCJKPOMSA-N 1 2 342.399 3.008 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336080 310224020 /nfs/dbraw/zinc/22/40/20/310224020.db2.gz SXRWFMZMGUQOPG-NSHDSACASA-N 1 2 346.412 3.247 20 5 EGBDLO Cc1c(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000454192126 310296323 /nfs/dbraw/zinc/29/63/23/310296323.db2.gz AOKSOKMIZRVRBE-AWEZNQCLSA-N 1 2 343.387 3.252 20 5 EGBDLO COCc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000459621508 310564826 /nfs/dbraw/zinc/56/48/26/310564826.db2.gz NNRSGFXRIFINQX-UHFFFAOYSA-N 1 2 328.368 3.004 20 5 EGBDLO CCC1(C)C[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000459638787 310565640 /nfs/dbraw/zinc/56/56/40/310565640.db2.gz UJEOQCLZNFQXAF-UHFFFAOYSA-N 1 2 344.358 3.479 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c3ccccc3ncc1[N+](=O)[O-])CCC2 ZINC000488103985 311051267 /nfs/dbraw/zinc/05/12/67/311051267.db2.gz ZZCYDBYPMPQJLE-CYBMUJFWSA-N 1 2 337.383 3.059 20 5 EGBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000491353187 311174973 /nfs/dbraw/zinc/17/49/73/311174973.db2.gz UESLGBHLGBZMQI-WUKHSURWSA-N 1 2 326.356 3.085 20 5 EGBDLO Cc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000505307915 312019537 /nfs/dbraw/zinc/01/95/37/312019537.db2.gz KOOULGMAQXDDJG-UHFFFAOYSA-N 1 2 329.375 3.365 20 5 EGBDLO O=[N+]([O-])c1ccc(Br)cc1NCCCn1cc[nH+]c1 ZINC000087834146 454089849 /nfs/dbraw/zinc/08/98/49/454089849.db2.gz XHZNDLIIRMOQRD-UHFFFAOYSA-N 1 2 325.166 3.056 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ncnn1-c1ccccc1 ZINC000530365788 313525066 /nfs/dbraw/zinc/52/50/66/313525066.db2.gz BFUDAXODWNZYBL-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO COc1ccc(NC(=O)C[N@H+]2CC=C(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000535376743 314043346 /nfs/dbraw/zinc/04/33/46/314043346.db2.gz BICZEVXPUUMBKK-UHFFFAOYSA-N 1 2 347.415 3.220 20 5 EGBDLO COc1ccc(NC(=O)C[N@@H+]2CC=C(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000535376743 314043349 /nfs/dbraw/zinc/04/33/49/314043349.db2.gz BICZEVXPUUMBKK-UHFFFAOYSA-N 1 2 347.415 3.220 20 5 EGBDLO CCc1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1[N+](=O)[O-] ZINC000547011276 314869834 /nfs/dbraw/zinc/86/98/34/314869834.db2.gz JUIZVWROZPARIW-UHFFFAOYSA-N 1 2 349.350 3.446 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1noc(-c2cccs2)n1 ZINC000564469851 316157229 /nfs/dbraw/zinc/15/72/29/316157229.db2.gz IRUILSIWHIVKSQ-GFCCVEGCSA-N 1 2 342.380 3.483 20 5 EGBDLO C[N@H+](Cc1ccc(Br)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000171959520 323263349 /nfs/dbraw/zinc/26/33/49/323263349.db2.gz SXHGYPDCEIBBSD-UHFFFAOYSA-N 1 2 336.189 3.384 20 5 EGBDLO C[N@@H+](Cc1ccc(Br)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000171959520 323263354 /nfs/dbraw/zinc/26/33/54/323263354.db2.gz SXHGYPDCEIBBSD-UHFFFAOYSA-N 1 2 336.189 3.384 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000578982235 325046117 /nfs/dbraw/zinc/04/61/17/325046117.db2.gz DLYLFDPAZLLXOR-UHFFFAOYSA-N 1 2 341.415 3.038 20 5 EGBDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425421268 457546429 /nfs/dbraw/zinc/54/64/29/457546429.db2.gz NOBVVUGJMWOTPH-MFKMUULPSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425421268 457546438 /nfs/dbraw/zinc/54/64/38/457546438.db2.gz NOBVVUGJMWOTPH-MFKMUULPSA-N 1 2 343.221 3.093 20 5 EGBDLO CCSCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000173264107 455256951 /nfs/dbraw/zinc/25/69/51/455256951.db2.gz CKEUZYGLBVXDTG-LBPRGKRZSA-N 1 2 348.428 3.042 20 5 EGBDLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006083845 452919724 /nfs/dbraw/zinc/91/97/24/452919724.db2.gz ZDEAFMVCEWYBOB-UHFFFAOYSA-N 1 2 345.786 3.245 20 5 EGBDLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006083845 452919735 /nfs/dbraw/zinc/91/97/35/452919735.db2.gz ZDEAFMVCEWYBOB-UHFFFAOYSA-N 1 2 345.786 3.245 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000007911447 453132349 /nfs/dbraw/zinc/13/23/49/453132349.db2.gz VQBGVJJKPCFGLH-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000007911447 453132357 /nfs/dbraw/zinc/13/23/57/453132357.db2.gz VQBGVJJKPCFGLH-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c2ncccc12 ZINC000024061165 453724003 /nfs/dbraw/zinc/72/40/03/453724003.db2.gz BAPHEQVUHODDEK-UHFFFAOYSA-N 1 2 346.350 3.336 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000024763684 453746184 /nfs/dbraw/zinc/74/61/84/453746184.db2.gz YSNWJFYPYFWAQL-UHFFFAOYSA-N 1 2 342.380 3.282 20 5 EGBDLO CC(=O)c1ccc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053580131 453889269 /nfs/dbraw/zinc/88/92/69/453889269.db2.gz QEPBNZBCWKCZQV-UHFFFAOYSA-N 1 2 345.424 3.329 20 5 EGBDLO CC(=O)c1ccc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053580131 453889270 /nfs/dbraw/zinc/88/92/70/453889270.db2.gz QEPBNZBCWKCZQV-UHFFFAOYSA-N 1 2 345.424 3.329 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000075643061 453913921 /nfs/dbraw/zinc/91/39/21/453913921.db2.gz HIRVUFJPYGOKMI-CYBMUJFWSA-N 1 2 345.424 3.175 20 5 EGBDLO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000068350172 454019502 /nfs/dbraw/zinc/01/95/02/454019502.db2.gz KNKUWIRZAVSMSW-SNVBAGLBSA-N 1 2 335.747 3.358 20 5 EGBDLO Cc1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000068523490 454033447 /nfs/dbraw/zinc/03/34/47/454033447.db2.gz WNFAGLQMBVLQGV-UHFFFAOYSA-N 1 2 340.383 3.041 20 5 EGBDLO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056197139 454043178 /nfs/dbraw/zinc/04/31/78/454043178.db2.gz HPOXVRPJWXOBQW-UGSOOPFHSA-N 1 2 339.395 3.265 20 5 EGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000087055848 454059472 /nfs/dbraw/zinc/05/94/72/454059472.db2.gz XKFOMTMALKRSAF-UHFFFAOYSA-N 1 2 336.351 3.352 20 5 EGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000058145248 454164915 /nfs/dbraw/zinc/16/49/15/454164915.db2.gz HTLSKMUHOPZEQU-CQSZACIVSA-N 1 2 346.412 3.164 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000045733218 454176126 /nfs/dbraw/zinc/17/61/26/454176126.db2.gz NFWLBLRBIRVZMB-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO Cc1cnc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078631581 454289600 /nfs/dbraw/zinc/28/96/00/454289600.db2.gz XDDWDQNTEBTXCL-BETUJISGSA-N 1 2 343.387 3.050 20 5 EGBDLO CC[N@H+](CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000160171462 455434279 /nfs/dbraw/zinc/43/42/79/455434279.db2.gz OJZTXPAGJDEAKP-UHFFFAOYSA-N 1 2 345.374 3.380 20 5 EGBDLO CC[N@@H+](CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000160171462 455434284 /nfs/dbraw/zinc/43/42/84/455434284.db2.gz OJZTXPAGJDEAKP-UHFFFAOYSA-N 1 2 345.374 3.380 20 5 EGBDLO Cc1cc(NCC(C)(C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078689087 454299153 /nfs/dbraw/zinc/29/91/53/454299153.db2.gz VBQIQCGWORGUKZ-UHFFFAOYSA-N 1 2 330.388 3.181 20 5 EGBDLO C[C@H](C1CC1)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000047448420 454372944 /nfs/dbraw/zinc/37/29/44/454372944.db2.gz CJRKTZDZJFZURG-GFCCVEGCSA-N 1 2 340.383 3.184 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000121902177 454492378 /nfs/dbraw/zinc/49/23/78/454492378.db2.gz YLGSYKDCIFUQEH-IBGZPJMESA-N 1 2 342.395 3.351 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000121902177 454492384 /nfs/dbraw/zinc/49/23/84/454492384.db2.gz YLGSYKDCIFUQEH-IBGZPJMESA-N 1 2 342.395 3.351 20 5 EGBDLO Cc1cc(N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000074727518 454625158 /nfs/dbraw/zinc/62/51/58/454625158.db2.gz XZRMTAYZSLNXNT-INIZCTEOSA-N 1 2 341.346 3.372 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccnc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000123463348 454640418 /nfs/dbraw/zinc/64/04/18/454640418.db2.gz YQIZRXVQJXHMGR-NEPJUHHUSA-N 1 2 339.355 3.452 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3c(F)cccc3C2)c([N+](=O)[O-])cc1OC ZINC000123799739 454677125 /nfs/dbraw/zinc/67/71/25/454677125.db2.gz GTBUXYUJGFFWNH-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc(C[N@H+]2CCc3c(F)cccc3C2)c([N+](=O)[O-])cc1OC ZINC000123799739 454677126 /nfs/dbraw/zinc/67/71/26/454677126.db2.gz GTBUXYUJGFFWNH-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO Cc1c(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000161909819 454735379 /nfs/dbraw/zinc/73/53/79/454735379.db2.gz BAIFGTSUYXUQBR-UHFFFAOYSA-N 1 2 336.351 3.270 20 5 EGBDLO Cc1cc(NC[C@@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000141039942 454826028 /nfs/dbraw/zinc/82/60/28/454826028.db2.gz FJVRGODXVSYMFY-HNNXBMFYSA-N 1 2 328.372 3.341 20 5 EGBDLO O=C(CC1CCCCC1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000143062342 454840787 /nfs/dbraw/zinc/84/07/87/454840787.db2.gz ZJFJWPVMUIVJNY-UHFFFAOYSA-N 1 2 345.443 3.209 20 5 EGBDLO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000154037097 454859838 /nfs/dbraw/zinc/85/98/38/454859838.db2.gz DEOFSSUXWMDRQK-UHFFFAOYSA-N 1 2 337.383 3.200 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000266931580 455477285 /nfs/dbraw/zinc/47/72/85/455477285.db2.gz MRIFIRLGRPFLBS-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000266931580 455477290 /nfs/dbraw/zinc/47/72/90/455477290.db2.gz MRIFIRLGRPFLBS-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127673781 454986939 /nfs/dbraw/zinc/98/69/39/454986939.db2.gz YNYYQQROPHYYRZ-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127673781 454986943 /nfs/dbraw/zinc/98/69/43/454986943.db2.gz YNYYQQROPHYYRZ-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO Cc1csc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000172078828 455118745 /nfs/dbraw/zinc/11/87/45/455118745.db2.gz AJVGLRBLSVHDLV-UHFFFAOYSA-N 1 2 349.412 3.251 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263948192 455170984 /nfs/dbraw/zinc/17/09/84/455170984.db2.gz NQDKIKYWVVSLIX-LLVKDONJSA-N 1 2 340.339 3.084 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000182942403 455196008 /nfs/dbraw/zinc/19/60/08/455196008.db2.gz OWIPQLGOGOPDCL-INIZCTEOSA-N 1 2 340.427 3.177 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000246105865 455427491 /nfs/dbraw/zinc/42/74/91/455427491.db2.gz JMPTZJZPVFLSOR-MSOLQXFVSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000246105865 455427494 /nfs/dbraw/zinc/42/74/94/455427494.db2.gz JMPTZJZPVFLSOR-MSOLQXFVSA-N 1 2 334.416 3.098 20 5 EGBDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000175260887 455431955 /nfs/dbraw/zinc/43/19/55/455431955.db2.gz WMCKQMDXPDHSFX-MNOVXSKESA-N 1 2 334.401 3.038 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)c(Cl)c1 ZINC000182383925 455502665 /nfs/dbraw/zinc/50/26/65/455502665.db2.gz ATGMIMTWNJBFKS-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)F)CC2)c(Cl)c1 ZINC000182383925 455502670 /nfs/dbraw/zinc/50/26/70/455502670.db2.gz ATGMIMTWNJBFKS-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@@](=O)C1 ZINC000277561273 455598200 /nfs/dbraw/zinc/59/82/00/455598200.db2.gz RVIIHIURKDNVHV-RKNYENMMSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@@](=O)C1 ZINC000277561273 455598207 /nfs/dbraw/zinc/59/82/07/455598207.db2.gz RVIIHIURKDNVHV-RKNYENMMSA-N 1 2 348.424 3.055 20 5 EGBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000247500211 455613652 /nfs/dbraw/zinc/61/36/52/455613652.db2.gz IAVPIUNDQXBGIB-YWPYICTPSA-N 1 2 346.387 3.205 20 5 EGBDLO CC[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000247500211 455613656 /nfs/dbraw/zinc/61/36/56/455613656.db2.gz IAVPIUNDQXBGIB-YWPYICTPSA-N 1 2 346.387 3.205 20 5 EGBDLO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](C)[N@H+]1C ZINC000294112826 455805986 /nfs/dbraw/zinc/80/59/86/455805986.db2.gz ZESTZJMDBYGMPB-OKILXGFUSA-N 1 2 349.434 3.258 20 5 EGBDLO C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C[C@H](C)[N@@H+]1C ZINC000294112826 455805992 /nfs/dbraw/zinc/80/59/92/455805992.db2.gz ZESTZJMDBYGMPB-OKILXGFUSA-N 1 2 349.434 3.258 20 5 EGBDLO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000255956121 455877376 /nfs/dbraw/zinc/87/73/76/455877376.db2.gz GLUGLRQKEZJENO-LAQFHYBYSA-N 1 2 342.399 3.335 20 5 EGBDLO CC(=O)c1ccc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000296281885 455898894 /nfs/dbraw/zinc/89/88/94/455898894.db2.gz KZGSBQSTBHIRBW-OAHLLOKOSA-N 1 2 328.372 3.118 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188170596 456013957 /nfs/dbraw/zinc/01/39/57/456013957.db2.gz FKIAGMMJFKIOQO-MRXNPFEDSA-N 1 2 326.331 3.336 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCCc1cn2ccccc2[nH+]1 ZINC000301358843 456099427 /nfs/dbraw/zinc/09/94/27/456099427.db2.gz PQTCCJGLNVKTOZ-UHFFFAOYSA-N 1 2 326.356 3.044 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000301400585 456106905 /nfs/dbraw/zinc/10/69/05/456106905.db2.gz XBTGGLFGERCQDH-MNOVXSKESA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000301400585 456106912 /nfs/dbraw/zinc/10/69/12/456106912.db2.gz XBTGGLFGERCQDH-MNOVXSKESA-N 1 2 345.321 3.196 20 5 EGBDLO CC(C)(C)c1cc(NCCn2cc([N+](=O)[O-])cn2)nc(C(C)(C)C)[nH+]1 ZINC000301765391 456209836 /nfs/dbraw/zinc/20/98/36/456209836.db2.gz NMKOWKBWHLLRRN-UHFFFAOYSA-N 1 2 346.435 3.288 20 5 EGBDLO Nc1nc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]c2ccccc12 ZINC000301904284 456247532 /nfs/dbraw/zinc/24/75/32/456247532.db2.gz PNXHIMOIZVTUKI-UHFFFAOYSA-N 1 2 335.367 3.289 20 5 EGBDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302048443 456275464 /nfs/dbraw/zinc/27/54/64/456275464.db2.gz ZFTJYVLMBKOWFP-UHFFFAOYSA-N 1 2 349.394 3.173 20 5 EGBDLO CCOc1cccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000302116047 456291600 /nfs/dbraw/zinc/29/16/00/456291600.db2.gz ROCGFMNDNFXEGW-CQSZACIVSA-N 1 2 329.356 3.046 20 5 EGBDLO Cc1cccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000302501870 456349994 /nfs/dbraw/zinc/34/99/94/456349994.db2.gz OXUNOWSJYDOUOX-SFHVURJKSA-N 1 2 341.411 3.389 20 5 EGBDLO Cc1cc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)ccc1[NH+](C)C ZINC000276059893 456379927 /nfs/dbraw/zinc/37/99/27/456379927.db2.gz KMTQOVXGFLNEHO-UHFFFAOYSA-N 1 2 349.412 3.116 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276400255 456468584 /nfs/dbraw/zinc/46/85/84/456468584.db2.gz KJTYTXAMTNQTFV-ZDUSSCGKSA-N 1 2 343.387 3.346 20 5 EGBDLO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000343302033 456516188 /nfs/dbraw/zinc/51/61/88/456516188.db2.gz SJPWPMAXHYYBDA-GOSISDBHSA-N 1 2 339.395 3.222 20 5 EGBDLO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000343302033 456516192 /nfs/dbraw/zinc/51/61/92/456516192.db2.gz SJPWPMAXHYYBDA-GOSISDBHSA-N 1 2 339.395 3.222 20 5 EGBDLO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000282483042 456528322 /nfs/dbraw/zinc/52/83/22/456528322.db2.gz HFVRYDAXANEMNC-OAHLLOKOSA-N 1 2 329.404 3.109 20 5 EGBDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282646003 456580334 /nfs/dbraw/zinc/58/03/34/456580334.db2.gz CAVQYKLUYQZYEY-HSZRJFAPSA-N 1 2 336.388 3.103 20 5 EGBDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282646003 456580339 /nfs/dbraw/zinc/58/03/39/456580339.db2.gz CAVQYKLUYQZYEY-HSZRJFAPSA-N 1 2 336.388 3.103 20 5 EGBDLO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000299349505 456664787 /nfs/dbraw/zinc/66/47/87/456664787.db2.gz GOOBYIXHOHMBJY-UHFFFAOYSA-N 1 2 331.372 3.061 20 5 EGBDLO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000299349505 456664793 /nfs/dbraw/zinc/66/47/93/456664793.db2.gz GOOBYIXHOHMBJY-UHFFFAOYSA-N 1 2 331.372 3.061 20 5 EGBDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299517508 456717280 /nfs/dbraw/zinc/71/72/80/456717280.db2.gz DAOTXDSQOWAYIE-UHFFFAOYSA-N 1 2 325.328 3.319 20 5 EGBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340898950 456747925 /nfs/dbraw/zinc/74/79/25/456747925.db2.gz HVHJOJYDJFUDHN-KRWDZBQOSA-N 1 2 331.372 3.251 20 5 EGBDLO CC[C@@]1(C)COCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340898950 456747931 /nfs/dbraw/zinc/74/79/31/456747931.db2.gz HVHJOJYDJFUDHN-KRWDZBQOSA-N 1 2 331.372 3.251 20 5 EGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000338626865 456845768 /nfs/dbraw/zinc/84/57/68/456845768.db2.gz VANJFLWCEODLFY-KGLIPLIRSA-N 1 2 342.374 3.288 20 5 EGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000338626865 456845770 /nfs/dbraw/zinc/84/57/70/456845770.db2.gz VANJFLWCEODLFY-KGLIPLIRSA-N 1 2 342.374 3.288 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000341740831 456923105 /nfs/dbraw/zinc/92/31/05/456923105.db2.gz ILLLSEROWFIKMB-QGZVFWFLSA-N 1 2 345.374 3.219 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000339080969 456931253 /nfs/dbraw/zinc/93/12/53/456931253.db2.gz UFVGEOHBHCBGHU-AWEZNQCLSA-N 1 2 328.368 3.201 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000339080969 456931257 /nfs/dbraw/zinc/93/12/57/456931257.db2.gz UFVGEOHBHCBGHU-AWEZNQCLSA-N 1 2 328.368 3.201 20 5 EGBDLO CCOCCOC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000354189072 457120261 /nfs/dbraw/zinc/12/02/61/457120261.db2.gz NOWPWIAFEMWRLT-UHFFFAOYSA-N 1 2 346.383 3.092 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000359986928 457187441 /nfs/dbraw/zinc/18/74/41/457187441.db2.gz LTFMBWTUWSVXPY-STQMWFEESA-N 1 2 343.387 3.050 20 5 EGBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000342382144 457269750 /nfs/dbraw/zinc/26/97/50/457269750.db2.gz QCFTZDLTRPJGKX-UHFFFAOYSA-N 1 2 334.401 3.057 20 5 EGBDLO C[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000332377021 457357790 /nfs/dbraw/zinc/35/77/90/457357790.db2.gz ACGOUSOQPANPKM-NHYWBVRUSA-N 1 2 347.350 3.045 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000369738379 457375547 /nfs/dbraw/zinc/37/55/47/457375547.db2.gz XDCZBXIUFSPYQG-NSHDSACASA-N 1 2 348.790 3.002 20 5 EGBDLO Cc1[nH+]c2ccccc2n1Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000355689472 457400228 /nfs/dbraw/zinc/40/02/28/457400228.db2.gz LYSJCHFDVVIXPB-UHFFFAOYSA-N 1 2 349.350 3.275 20 5 EGBDLO CCc1[nH+]c(C)ccc1OCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000352543178 457453189 /nfs/dbraw/zinc/45/31/89/457453189.db2.gz ZTGKPHQAKGRWNU-UHFFFAOYSA-N 1 2 332.356 3.327 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352570938 457475034 /nfs/dbraw/zinc/47/50/34/457475034.db2.gz NYDKPDPKIZVFQH-ZDUSSCGKSA-N 1 2 341.367 3.304 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000352570938 457475043 /nfs/dbraw/zinc/47/50/43/457475043.db2.gz NYDKPDPKIZVFQH-ZDUSSCGKSA-N 1 2 341.367 3.304 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000352671852 457518314 /nfs/dbraw/zinc/51/83/14/457518314.db2.gz PYLOHVXHOJEYMP-GOSISDBHSA-N 1 2 342.395 3.482 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000352671852 457518318 /nfs/dbraw/zinc/51/83/18/457518318.db2.gz PYLOHVXHOJEYMP-GOSISDBHSA-N 1 2 342.395 3.482 20 5 EGBDLO COc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1[N+](=O)[O-] ZINC000361025721 457521796 /nfs/dbraw/zinc/52/17/96/457521796.db2.gz OOSKBPFOJCPCBE-UHFFFAOYSA-N 1 2 340.379 3.356 20 5 EGBDLO COc1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1[N+](=O)[O-] ZINC000361025721 457521802 /nfs/dbraw/zinc/52/18/02/457521802.db2.gz OOSKBPFOJCPCBE-UHFFFAOYSA-N 1 2 340.379 3.356 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425375523 457526610 /nfs/dbraw/zinc/52/66/10/457526610.db2.gz UXURQNAXYYZHAY-KRWDZBQOSA-N 1 2 332.400 3.082 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425375523 457526613 /nfs/dbraw/zinc/52/66/13/457526613.db2.gz UXURQNAXYYZHAY-KRWDZBQOSA-N 1 2 332.400 3.082 20 5 EGBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c[nH+]c1N1CCCC[C@@H]1C ZINC000357443497 457531528 /nfs/dbraw/zinc/53/15/28/457531528.db2.gz NLTDWPHZPZDFHT-LBPRGKRZSA-N 1 2 343.387 3.257 20 5 EGBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000433044870 457652213 /nfs/dbraw/zinc/65/22/13/457652213.db2.gz KQZDEVCYKLAIDJ-CQSZACIVSA-N 1 2 334.803 3.284 20 5 EGBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000433044870 457652220 /nfs/dbraw/zinc/65/22/20/457652220.db2.gz KQZDEVCYKLAIDJ-CQSZACIVSA-N 1 2 334.803 3.284 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000371055289 457774422 /nfs/dbraw/zinc/77/44/22/457774422.db2.gz OPQWEKKXQOILGG-SNVBAGLBSA-N 1 2 349.778 3.003 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444008963 457841383 /nfs/dbraw/zinc/84/13/83/457841383.db2.gz LYKDRAKENCTRIT-UHFFFAOYSA-N 1 2 329.359 3.059 20 5 EGBDLO CC(C)Oc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000412370399 458183550 /nfs/dbraw/zinc/18/35/50/458183550.db2.gz JKJBWTJUYCMGOP-UHFFFAOYSA-N 1 2 344.371 3.167 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000362523040 458243811 /nfs/dbraw/zinc/24/38/11/458243811.db2.gz DCZVSWAJXIPCFJ-QGZVFWFLSA-N 1 2 348.443 3.346 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000362523040 458243813 /nfs/dbraw/zinc/24/38/13/458243813.db2.gz DCZVSWAJXIPCFJ-QGZVFWFLSA-N 1 2 348.443 3.346 20 5 EGBDLO Cc1cc(C)c(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000459071545 458258879 /nfs/dbraw/zinc/25/88/79/458258879.db2.gz HHVDEOQNSJWVJV-UHFFFAOYSA-N 1 2 342.399 3.341 20 5 EGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)c(F)cc3F)CC2)n1 ZINC000369555613 458263697 /nfs/dbraw/zinc/26/36/97/458263697.db2.gz FHKMPWJIQMPRHN-UHFFFAOYSA-N 1 2 340.305 3.046 20 5 EGBDLO Cc1cc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000376457497 458306095 /nfs/dbraw/zinc/30/60/95/458306095.db2.gz HEALZXBFAVOYDI-UHFFFAOYSA-N 1 2 343.387 3.100 20 5 EGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)o1 ZINC000430212922 458422111 /nfs/dbraw/zinc/42/21/11/458422111.db2.gz RESUELKLYWPBDR-OAHLLOKOSA-N 1 2 334.372 3.236 20 5 EGBDLO COc1cc(C[NH+]2CC(C)(CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000459635456 458432132 /nfs/dbraw/zinc/43/21/32/458432132.db2.gz ISOOAPDQAVODNA-UHFFFAOYSA-N 1 2 348.321 3.386 20 5 EGBDLO CC(C)c1ccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456404158 458666237 /nfs/dbraw/zinc/66/62/37/458666237.db2.gz FXRWRTCZGYPKCZ-FZMZJTMJSA-N 1 2 328.372 3.351 20 5 EGBDLO Cc1cc(N[C@@H](C)[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503274711 458700818 /nfs/dbraw/zinc/70/08/18/458700818.db2.gz JTTNOTCGPNVJBO-ZFWWWQNUSA-N 1 2 342.399 3.009 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000494673731 458726464 /nfs/dbraw/zinc/72/64/64/458726464.db2.gz MHZQYACCNCLQTH-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH+]c(C)[nH]c2c1 ZINC000494673731 458726468 /nfs/dbraw/zinc/72/64/68/458726468.db2.gz MHZQYACCNCLQTH-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO Cc1cc(C)c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000456855049 458801351 /nfs/dbraw/zinc/80/13/51/458801351.db2.gz ZAHJUQYULVJZBL-UHFFFAOYSA-N 1 2 327.384 3.201 20 5 EGBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000548302513 458861766 /nfs/dbraw/zinc/86/17/66/458861766.db2.gz GDAAUJBRJFXISK-GOSISDBHSA-N 1 2 342.395 3.201 20 5 EGBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000548302513 458861772 /nfs/dbraw/zinc/86/17/72/458861772.db2.gz GDAAUJBRJFXISK-GOSISDBHSA-N 1 2 342.395 3.201 20 5 EGBDLO CC(C)([NH2+]Cc1nc(-c2ccccn2)no1)c1ccccc1[N+](=O)[O-] ZINC000590019601 459068065 /nfs/dbraw/zinc/06/80/65/459068065.db2.gz XCLXSCHYSGASKW-UHFFFAOYSA-N 1 2 339.355 3.065 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(C2CC2)CC1 ZINC000590424722 459129207 /nfs/dbraw/zinc/12/92/07/459129207.db2.gz FHILLJVAGARCQL-UHFFFAOYSA-N 1 2 340.383 3.043 20 5 EGBDLO Cn1cc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000595390313 459289174 /nfs/dbraw/zinc/28/91/74/459289174.db2.gz URLXMBSMZIEXCD-UHFFFAOYSA-N 1 2 346.284 3.118 20 5 EGBDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000595390313 459289180 /nfs/dbraw/zinc/28/91/80/459289180.db2.gz URLXMBSMZIEXCD-UHFFFAOYSA-N 1 2 346.284 3.118 20 5 EGBDLO Cc1noc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000595423542 459297246 /nfs/dbraw/zinc/29/72/46/459297246.db2.gz AIDAFIOUCBGKIG-CQSZACIVSA-N 1 2 347.371 3.064 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000596029912 459498474 /nfs/dbraw/zinc/49/84/74/459498474.db2.gz DOEMOFRWCADFAL-UHFFFAOYSA-N 1 2 345.374 3.178 20 5 EGBDLO Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c([N+](=O)[O-])s1 ZINC000596077929 459510875 /nfs/dbraw/zinc/51/08/75/459510875.db2.gz WUWQQNVBDWJHJM-LLVKDONJSA-N 1 2 348.428 3.197 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000562385059 459551447 /nfs/dbraw/zinc/55/14/47/459551447.db2.gz BTOMJFLMBRPRFF-ZDUSSCGKSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000562385059 459551453 /nfs/dbraw/zinc/55/14/53/459551453.db2.gz BTOMJFLMBRPRFF-ZDUSSCGKSA-N 1 2 348.321 3.147 20 5 EGBDLO CC(C)N(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000584331496 459711429 /nfs/dbraw/zinc/71/14/29/459711429.db2.gz XZSABWGNCSCKGU-UHFFFAOYSA-N 1 2 328.372 3.041 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](CC)CO1 ZINC000593057646 459758255 /nfs/dbraw/zinc/75/82/55/459758255.db2.gz GTVZPUXNZMOXAJ-DZGCQCFKSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](CC)CO1 ZINC000593057646 459758258 /nfs/dbraw/zinc/75/82/58/459758258.db2.gz GTVZPUXNZMOXAJ-DZGCQCFKSA-N 1 2 346.387 3.034 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544616959 459772849 /nfs/dbraw/zinc/77/28/49/459772849.db2.gz HUASXCPATOCVLI-GOSISDBHSA-N 1 2 326.396 3.428 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000544616959 459772853 /nfs/dbraw/zinc/77/28/53/459772853.db2.gz HUASXCPATOCVLI-GOSISDBHSA-N 1 2 326.396 3.428 20 5 EGBDLO Cn1ncc(C2CC2)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596980061 459809938 /nfs/dbraw/zinc/80/99/38/459809938.db2.gz UNRPXZHARFDXGJ-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO Cn1ncc(C2CC2)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596980061 459809940 /nfs/dbraw/zinc/80/99/40/459809940.db2.gz UNRPXZHARFDXGJ-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO O=[N+]([O-])c1cccc(/C=C\c2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000545626977 459842665 /nfs/dbraw/zinc/84/26/65/459842665.db2.gz ULXPMNBXPOSBFM-FPLPWBNLSA-N 1 2 347.334 3.387 20 5 EGBDLO COc1cc(OC)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000593568111 459923875 /nfs/dbraw/zinc/92/38/75/459923875.db2.gz SZYFCDFIFNONLM-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1cc(OC)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000593568111 459923881 /nfs/dbraw/zinc/92/38/81/459923881.db2.gz SZYFCDFIFNONLM-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COC1(C)CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602589431 460012382 /nfs/dbraw/zinc/01/23/82/460012382.db2.gz DIBLKHNKAYUXDT-UHFFFAOYSA-N 1 2 349.250 3.420 20 5 EGBDLO CO[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC000602653275 460044760 /nfs/dbraw/zinc/04/47/60/460044760.db2.gz CPWGDGZXXNQYJN-RKDXNWHRSA-N 1 2 349.250 3.418 20 5 EGBDLO CO[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC000602653275 460044762 /nfs/dbraw/zinc/04/47/62/460044762.db2.gz CPWGDGZXXNQYJN-RKDXNWHRSA-N 1 2 349.250 3.418 20 5 EGBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160417 460073000 /nfs/dbraw/zinc/07/30/00/460073000.db2.gz MPKQMSNJHVCPNI-UKRRQHHQSA-N 1 2 347.440 3.358 20 5 EGBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160417 460073009 /nfs/dbraw/zinc/07/30/09/460073009.db2.gz MPKQMSNJHVCPNI-UKRRQHHQSA-N 1 2 347.440 3.358 20 5 EGBDLO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CCC[N@@H+]1CC(F)F ZINC000599133848 460170177 /nfs/dbraw/zinc/17/01/77/460170177.db2.gz MARQMXHYKCXVEY-LLVKDONJSA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CCC[N@H+]1CC(F)F ZINC000599133848 460170180 /nfs/dbraw/zinc/17/01/80/460170180.db2.gz MARQMXHYKCXVEY-LLVKDONJSA-N 1 2 336.342 3.284 20 5 EGBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602942244 460194834 /nfs/dbraw/zinc/19/48/34/460194834.db2.gz MRRGDZFGQAAUGE-UHFFFAOYSA-N 1 2 328.294 3.277 20 5 EGBDLO Cc1n[nH]cc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602942244 460194840 /nfs/dbraw/zinc/19/48/40/460194840.db2.gz MRRGDZFGQAAUGE-UHFFFAOYSA-N 1 2 328.294 3.277 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599624775 460291041 /nfs/dbraw/zinc/29/10/41/460291041.db2.gz YIMOCWPAFDBMME-SNVBAGLBSA-N 1 2 338.314 3.264 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599624775 460291046 /nfs/dbraw/zinc/29/10/46/460291046.db2.gz YIMOCWPAFDBMME-SNVBAGLBSA-N 1 2 338.314 3.264 20 5 EGBDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000611409166 460358062 /nfs/dbraw/zinc/35/80/62/460358062.db2.gz VYDILYDYSOEMSB-VIFPVBQESA-N 1 2 343.343 3.100 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000619531867 460376868 /nfs/dbraw/zinc/37/68/68/460376868.db2.gz DUHXWXKTGXJCIY-CQSZACIVSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000619531867 460376873 /nfs/dbraw/zinc/37/68/73/460376873.db2.gz DUHXWXKTGXJCIY-CQSZACIVSA-N 1 2 348.321 3.147 20 5 EGBDLO Cc1ccnc(NC(=O)C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000611515922 460384159 /nfs/dbraw/zinc/38/41/59/460384159.db2.gz SAZDAQDFGIJGII-AWEZNQCLSA-N 1 2 342.399 3.238 20 5 EGBDLO Cc1ccnc(NC(=O)C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000611515922 460384161 /nfs/dbraw/zinc/38/41/61/460384161.db2.gz SAZDAQDFGIJGII-AWEZNQCLSA-N 1 2 342.399 3.238 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1Cn1c2ccccc2[nH+]c1NCCO ZINC000489217555 468124183 /nfs/dbraw/zinc/12/41/83/468124183.db2.gz MDFVKQCTIUPADN-UHFFFAOYSA-N 1 2 346.774 3.050 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1O ZINC000357695386 547739771 /nfs/dbraw/zinc/73/97/71/547739771.db2.gz PRXPESDTVPPHOC-UHFFFAOYSA-N 1 2 338.323 3.047 20 5 EGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc2[nH+]ccn2c1 ZINC000735645012 575694476 /nfs/dbraw/zinc/69/44/76/575694476.db2.gz YGQMLTNMBTUUMR-UHFFFAOYSA-N 1 2 331.715 3.424 20 5 EGBDLO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743380212 576807708 /nfs/dbraw/zinc/80/77/08/576807708.db2.gz WHXRGZZXHACNKG-PWSUYJOCSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@H]1[C@H](C)CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743380212 576807709 /nfs/dbraw/zinc/80/77/09/576807709.db2.gz WHXRGZZXHACNKG-PWSUYJOCSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@@]1(C)CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743404132 576808587 /nfs/dbraw/zinc/80/85/87/576808587.db2.gz KEVPCHIBZOICDX-SFHVURJKSA-N 1 2 345.399 3.051 20 5 EGBDLO CCC[C@@]1(C)CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743404132 576808588 /nfs/dbraw/zinc/80/85/88/576808588.db2.gz KEVPCHIBZOICDX-SFHVURJKSA-N 1 2 345.399 3.051 20 5 EGBDLO CCC[C@@]1(C)CCC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743404012 576808677 /nfs/dbraw/zinc/80/86/77/576808677.db2.gz FWHRJDYSECJIMX-ZDUSSCGKSA-N 1 2 345.241 3.414 20 5 EGBDLO CCC[C@@]1(C)CCC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743404012 576808678 /nfs/dbraw/zinc/80/86/78/576808678.db2.gz FWHRJDYSECJIMX-ZDUSSCGKSA-N 1 2 345.241 3.414 20 5 EGBDLO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000024105888 1291241189 /nfs/dbraw/zinc/24/11/89/1291241189.db2.gz JMYUSLHPPVAWJM-MRXNPFEDSA-N 1 2 330.388 3.211 20 5 EGBDLO COc1ccc([C@H]2CCC[N@H+]2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000024105888 1291241198 /nfs/dbraw/zinc/24/11/98/1291241198.db2.gz JMYUSLHPPVAWJM-MRXNPFEDSA-N 1 2 330.388 3.211 20 5 EGBDLO CS[C@@H](C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835381900 1293279104 /nfs/dbraw/zinc/27/91/04/1293279104.db2.gz HEVPDJBCFZUDJH-QWRGUYRKSA-N 1 2 335.385 3.077 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1-n1cc[nH+]c1 ZINC000171776478 1294417544 /nfs/dbraw/zinc/41/75/44/1294417544.db2.gz GGQJYXLHYGFZJP-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO CCO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000233756391 1296178091 /nfs/dbraw/zinc/17/80/91/1296178091.db2.gz YCFGJOZWBSBCAA-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO CCO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000233756391 1296178100 /nfs/dbraw/zinc/17/81/00/1296178100.db2.gz YCFGJOZWBSBCAA-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO C[N@H+](CCC1CCCCC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000725785960 1298361254 /nfs/dbraw/zinc/36/12/54/1298361254.db2.gz LYCRHMZVENSGQS-UHFFFAOYSA-N 1 2 345.399 3.051 20 5 EGBDLO C[N@@H+](CCC1CCCCC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000725785960 1298361265 /nfs/dbraw/zinc/36/12/65/1298361265.db2.gz LYCRHMZVENSGQS-UHFFFAOYSA-N 1 2 345.399 3.051 20 5 EGBDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000877817157 1299579673 /nfs/dbraw/zinc/57/96/73/1299579673.db2.gz SKOAXVVTELCXHU-UHFFFAOYSA-N 1 2 325.368 3.112 20 5 EGBDLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000877817157 1299579683 /nfs/dbraw/zinc/57/96/83/1299579683.db2.gz SKOAXVVTELCXHU-UHFFFAOYSA-N 1 2 325.368 3.112 20 5 EGBDLO CC1(F)CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000879380930 1300509609 /nfs/dbraw/zinc/50/96/09/1300509609.db2.gz COEBZFPDCDUNDN-UHFFFAOYSA-N 1 2 329.759 3.011 20 5 EGBDLO CC(C)C[C@@H]1CCCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000757615427 1300694514 /nfs/dbraw/zinc/69/45/14/1300694514.db2.gz UTGNVMHRFUENFR-NSHDSACASA-N 1 2 345.241 3.412 20 5 EGBDLO CC(C)C[C@@H]1CCCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000757615427 1300694516 /nfs/dbraw/zinc/69/45/16/1300694516.db2.gz UTGNVMHRFUENFR-NSHDSACASA-N 1 2 345.241 3.412 20 5 EGBDLO Cn1nc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000759190016 1301035772 /nfs/dbraw/zinc/03/57/72/1301035772.db2.gz GXBHBBPEULLJPC-UHFFFAOYSA-N 1 2 330.775 3.425 20 5 EGBDLO C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1n1cc[nH+]c1 ZINC000759249636 1301049389 /nfs/dbraw/zinc/04/93/89/1301049389.db2.gz YTFHRZIQROIYTR-SMDDNHRTSA-N 1 2 343.412 3.489 20 5 EGBDLO Cc1ccnc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c1 ZINC000761599350 1301507818 /nfs/dbraw/zinc/50/78/18/1301507818.db2.gz MAHNOUWDUDUPDJ-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO CC(C)(C)c1ccc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000763293607 1301867527 /nfs/dbraw/zinc/86/75/27/1301867527.db2.gz LLZPHHGVDUXBHW-UHFFFAOYSA-N 1 2 331.372 3.336 20 5 EGBDLO Cc1cc[nH+]c(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000766166035 1302403045 /nfs/dbraw/zinc/40/30/45/1302403045.db2.gz HRKXYLJEZKOKEF-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO COc1ccc(OC2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000885958972 1303297877 /nfs/dbraw/zinc/29/78/77/1303297877.db2.gz PTFBITXGHKMUQZ-UHFFFAOYSA-N 1 2 343.383 3.042 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]21 ZINC000782275102 1304945406 /nfs/dbraw/zinc/94/54/06/1304945406.db2.gz DOXZTHMIDVMAPI-JFGNBEQYSA-N 1 2 343.225 3.022 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]21 ZINC000782275102 1304945415 /nfs/dbraw/zinc/94/54/15/1304945415.db2.gz DOXZTHMIDVMAPI-JFGNBEQYSA-N 1 2 343.225 3.022 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000892192670 1305278058 /nfs/dbraw/zinc/27/80/58/1305278058.db2.gz NPMDBCOYCGIKMS-OAHLLOKOSA-N 1 2 345.399 3.375 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000892192670 1305278065 /nfs/dbraw/zinc/27/80/65/1305278065.db2.gz NPMDBCOYCGIKMS-OAHLLOKOSA-N 1 2 345.399 3.375 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O2 ZINC000790931838 1308888398 /nfs/dbraw/zinc/88/83/98/1308888398.db2.gz LBNWXMOWCUMEDD-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O2 ZINC000790931838 1308888410 /nfs/dbraw/zinc/88/84/10/1308888410.db2.gz LBNWXMOWCUMEDD-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795672872 1309803547 /nfs/dbraw/zinc/80/35/47/1309803547.db2.gz BRAUBXDKNXCLJO-CZUORRHYSA-N 1 2 330.388 3.231 20 5 EGBDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000795672872 1309803556 /nfs/dbraw/zinc/80/35/56/1309803556.db2.gz BRAUBXDKNXCLJO-CZUORRHYSA-N 1 2 330.388 3.231 20 5 EGBDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795677215 1309804915 /nfs/dbraw/zinc/80/49/15/1309804915.db2.gz XFUSMQOMOAAGIS-ZFWWWQNUSA-N 1 2 330.388 3.231 20 5 EGBDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000795677215 1309804923 /nfs/dbraw/zinc/80/49/23/1309804923.db2.gz XFUSMQOMOAAGIS-ZFWWWQNUSA-N 1 2 330.388 3.231 20 5 EGBDLO Cc1cc(Cl)nc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000800283505 1310720596 /nfs/dbraw/zinc/72/05/96/1310720596.db2.gz RGRMRKUWOBMUAE-UHFFFAOYSA-N 1 2 349.774 3.013 20 5 EGBDLO O=C(NCCCCn1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809922005 1317917859 /nfs/dbraw/zinc/91/78/59/1317917859.db2.gz MHIWZSWRAXZZBR-UHFFFAOYSA-N 1 2 337.767 3.047 20 5 EGBDLO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809966055 1317926411 /nfs/dbraw/zinc/92/64/11/1317926411.db2.gz VGNPLLVAVGNLSU-NXEZZACHSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809966055 1317926415 /nfs/dbraw/zinc/92/64/15/1317926415.db2.gz VGNPLLVAVGNLSU-NXEZZACHSA-N 1 2 333.215 3.494 20 5 EGBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1C ZINC000809985935 1317930934 /nfs/dbraw/zinc/93/09/34/1317930934.db2.gz XAOPGPLLHSVRCD-GZMMTYOYSA-N 1 2 347.198 3.285 20 5 EGBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1C ZINC000809985935 1317930940 /nfs/dbraw/zinc/93/09/40/1317930940.db2.gz XAOPGPLLHSVRCD-GZMMTYOYSA-N 1 2 347.198 3.285 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000905853224 1318007265 /nfs/dbraw/zinc/00/72/65/1318007265.db2.gz RDSDKGGHBFZMNK-OLZOCXBDSA-N 1 2 344.419 3.498 20 5 EGBDLO Cc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])ncn1 ZINC000811485445 1318184020 /nfs/dbraw/zinc/18/40/20/1318184020.db2.gz LDPAJTJYMRCCNM-UHFFFAOYSA-N 1 2 327.171 3.290 20 5 EGBDLO CC[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000812807484 1318460787 /nfs/dbraw/zinc/46/07/87/1318460787.db2.gz RKCMTSCPFBKSAW-JTQLQIEISA-N 1 2 331.210 3.214 20 5 EGBDLO CC[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H](C)OC ZINC000812807484 1318460793 /nfs/dbraw/zinc/46/07/93/1318460793.db2.gz RKCMTSCPFBKSAW-JTQLQIEISA-N 1 2 331.210 3.214 20 5 EGBDLO Cn1ncc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1Cl ZINC000815138042 1318907671 /nfs/dbraw/zinc/90/76/71/1318907671.db2.gz ZGTPMSFAYRAINK-UHFFFAOYSA-N 1 2 348.712 3.290 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151447 1319610322 /nfs/dbraw/zinc/61/03/22/1319610322.db2.gz IMQPFMVXOWDXKQ-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151447 1319610331 /nfs/dbraw/zinc/61/03/31/1319610331.db2.gz IMQPFMVXOWDXKQ-CQSZACIVSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000822013304 1320047165 /nfs/dbraw/zinc/04/71/65/1320047165.db2.gz YRMWNFJBXDPZLZ-SJORKVTESA-N 1 2 325.368 3.027 20 5 EGBDLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000823056974 1320150144 /nfs/dbraw/zinc/15/01/44/1320150144.db2.gz LEFJURRAFWRMPV-DLBZAZTESA-N 1 2 325.368 3.027 20 5 EGBDLO CS(=O)(=O)C1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000841886969 1321326584 /nfs/dbraw/zinc/32/65/84/1321326584.db2.gz AYHJEZTYHLOCQS-UHFFFAOYSA-N 1 2 325.433 3.222 20 5 EGBDLO Cc1nn(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1Cl ZINC000921835192 1322408315 /nfs/dbraw/zinc/40/83/15/1322408315.db2.gz PVLHLBOLUPUMKN-UHFFFAOYSA-N 1 2 329.187 3.233 20 5 EGBDLO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nnc2n1CCCCC2 ZINC000852627235 1323218354 /nfs/dbraw/zinc/21/83/54/1323218354.db2.gz GNGLKSGTYLMMIF-AWEZNQCLSA-N 1 2 347.394 3.293 20 5 EGBDLO Cc1c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000927105341 1327866365 /nfs/dbraw/zinc/86/63/65/1327866365.db2.gz JNFPELJTEXQFNE-UHFFFAOYSA-N 1 2 340.383 3.015 20 5 EGBDLO C/C=C(\C)C(=O)N1CCC2(C[NH+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001035683773 1343139142 /nfs/dbraw/zinc/13/91/42/1343139142.db2.gz NAMVGRWTYDDKQJ-QLKAYGNNSA-N 1 2 349.456 3.047 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCCc1c[nH+]cn1C ZINC001122973393 1372352186 /nfs/dbraw/zinc/35/21/86/1372352186.db2.gz DLPMTPGTVUUCJH-HNNXBMFYSA-N 1 2 345.399 3.073 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)c[nH+]2)C[C@H](C)O1 ZINC001216481120 1373309550 /nfs/dbraw/zinc/30/95/50/1373309550.db2.gz GUTDYCPTZOMBPK-TXEJJXNPSA-N 1 2 346.362 3.486 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC001218005280 1373533423 /nfs/dbraw/zinc/53/34/23/1373533423.db2.gz FVJDIWGSRAEQBN-SECBINFHSA-N 1 2 327.114 3.278 20 5 EGBDLO O=c1oc2cc(O[C@@H]3CC[NH2+]CC3(F)F)ccc2c2ccccc12 ZINC001218005770 1373533539 /nfs/dbraw/zinc/53/35/39/1373533539.db2.gz GODSSERHXFKKKJ-MRXNPFEDSA-N 1 2 331.318 3.322 20 5 EGBDLO Cc1c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC001225689683 1375145147 /nfs/dbraw/zinc/14/51/47/1375145147.db2.gz NMYPUOCRGOYBIH-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC001225689683 1375145150 /nfs/dbraw/zinc/14/51/50/1375145150.db2.gz NMYPUOCRGOYBIH-KRWDZBQOSA-N 1 2 342.395 3.183 20 5 EGBDLO CCN(CCn1cc[nH+]c1)c1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001157459878 1380911572 /nfs/dbraw/zinc/91/15/72/1380911572.db2.gz LWOFUGAFKBHEIT-UHFFFAOYSA-N 1 2 325.372 3.174 20 5 EGBDLO O=[N+]([O-])c1cccc2c1ccnc2NCCc1cn2ccccc2[nH+]1 ZINC001162068274 1382619319 /nfs/dbraw/zinc/61/93/19/1382619319.db2.gz PHYUJNSMDMASQY-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@](C)(F)C2)c1F ZINC001173181945 1384932554 /nfs/dbraw/zinc/93/25/54/1384932554.db2.gz QVRKRRSXZYJPQO-BZNIZROVSA-N 1 2 328.359 3.498 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC[C@](C)(F)C2)c1F ZINC001173181945 1384932557 /nfs/dbraw/zinc/93/25/57/1384932557.db2.gz QVRKRRSXZYJPQO-BZNIZROVSA-N 1 2 328.359 3.498 20 5 EGBDLO CCOc1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1OC ZINC001331700736 1389855993 /nfs/dbraw/zinc/85/59/93/1389855993.db2.gz CGOAYQYAXOYPRY-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO CCOc1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1OC ZINC001331700736 1389855999 /nfs/dbraw/zinc/85/59/99/1389855999.db2.gz CGOAYQYAXOYPRY-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO CCn1c[nH+]cc1COC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001345609532 1390868506 /nfs/dbraw/zinc/86/85/06/1390868506.db2.gz FHGOVKVAFQXGIK-UHFFFAOYSA-N 1 2 343.261 3.187 20 5 EGBDLO Cc1coc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1C ZINC001345775383 1390884152 /nfs/dbraw/zinc/88/41/52/1390884152.db2.gz HQIRMUUHFPLHRK-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO Cc1coc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1C ZINC001345775383 1390884154 /nfs/dbraw/zinc/88/41/54/1390884154.db2.gz HQIRMUUHFPLHRK-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000174476877 529711477 /nfs/dbraw/zinc/71/14/77/529711477.db2.gz SWAZBADMHRFDPM-CQSZACIVSA-N 1 2 334.372 3.236 20 5 EGBDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000003359816 210017729 /nfs/dbraw/zinc/01/77/29/210017729.db2.gz XCEVZULHCRZQMO-LBPRGKRZSA-N 1 2 349.412 3.206 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)c(Cl)c1 ZINC000022227658 212283186 /nfs/dbraw/zinc/28/31/86/212283186.db2.gz SEMMDJIHRMEWTO-UHFFFAOYSA-N 1 2 329.747 3.441 20 5 EGBDLO O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000078970498 217160561 /nfs/dbraw/zinc/16/05/61/217160561.db2.gz HKHKMVHBGZEMBR-UHFFFAOYSA-N 1 2 346.412 3.049 20 5 EGBDLO CC[C@]1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000081319462 217381950 /nfs/dbraw/zinc/38/19/50/217381950.db2.gz YWSONOBHDCJXIL-GOSISDBHSA-N 1 2 342.399 3.433 20 5 EGBDLO Cc1csc([C@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000266525359 248345179 /nfs/dbraw/zinc/34/51/79/248345179.db2.gz KCIVZFLDWMJJBY-SWLSCSKDSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1csc([C@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000266525359 248345180 /nfs/dbraw/zinc/34/51/80/248345180.db2.gz KCIVZFLDWMJJBY-SWLSCSKDSA-N 1 2 333.413 3.494 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(CC2)CC1 ZINC000378325121 169101446 /nfs/dbraw/zinc/10/14/46/169101446.db2.gz BVZFAQMRZARAAF-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091702213 218050048 /nfs/dbraw/zinc/05/00/48/218050048.db2.gz JFMYRKPLDUBRDE-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091702213 218050050 /nfs/dbraw/zinc/05/00/50/218050050.db2.gz JFMYRKPLDUBRDE-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000267479395 251095613 /nfs/dbraw/zinc/09/56/13/251095613.db2.gz XIBKDYVLMAYGNG-NWDGAFQWSA-N 1 2 331.338 3.224 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC2(CC2)C1 ZINC000186979041 533328761 /nfs/dbraw/zinc/32/87/61/533328761.db2.gz UKRJFGVJMNAOLY-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC2(CC2)C1 ZINC000186979041 533328768 /nfs/dbraw/zinc/32/87/68/533328768.db2.gz UKRJFGVJMNAOLY-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 ZINC000123463087 140891690 /nfs/dbraw/zinc/89/16/90/140891690.db2.gz YQIZRXVQJXHMGR-RYUDHWBXSA-N 1 2 339.355 3.452 20 5 EGBDLO CCOC(=O)[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000352946615 141274984 /nfs/dbraw/zinc/27/49/84/141274984.db2.gz MTDWICCGPXGKFZ-OAHLLOKOSA-N 1 2 346.408 3.319 20 5 EGBDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000352946615 141274985 /nfs/dbraw/zinc/27/49/85/141274985.db2.gz MTDWICCGPXGKFZ-OAHLLOKOSA-N 1 2 346.408 3.319 20 5 EGBDLO Cc1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000175279755 144061512 /nfs/dbraw/zinc/06/15/12/144061512.db2.gz SGKFBUCOMCLKRF-CYBMUJFWSA-N 1 2 329.360 3.385 20 5 EGBDLO C[C@@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000351474821 144266687 /nfs/dbraw/zinc/26/66/87/144266687.db2.gz HCGKAENNYDXNPE-STQMWFEESA-N 1 2 342.399 3.335 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(F)c1 ZINC000351823341 144311920 /nfs/dbraw/zinc/31/19/20/144311920.db2.gz LTKGVTRMILFDCW-CYBMUJFWSA-N 1 2 326.343 3.264 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(F)c1 ZINC000351823341 144311921 /nfs/dbraw/zinc/31/19/21/144311921.db2.gz LTKGVTRMILFDCW-CYBMUJFWSA-N 1 2 326.343 3.264 20 5 EGBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc(Cl)ccc1Cl ZINC000341131168 155180146 /nfs/dbraw/zinc/18/01/46/155180146.db2.gz SLNLAZUSBMOEQY-MRVPVSSYSA-N 1 2 329.187 3.486 20 5 EGBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000117775082 152116161 /nfs/dbraw/zinc/11/61/61/152116161.db2.gz KWXHGRFKKKJBSC-CQSZACIVSA-N 1 2 348.790 3.268 20 5 EGBDLO Cc1nc(N(C)CCc2ccccc2[N+](=O)[O-])c2c([nH+]1)CCCC2 ZINC000343226165 155690514 /nfs/dbraw/zinc/69/05/14/155690514.db2.gz UQZMSMIGFPFNAG-UHFFFAOYSA-N 1 2 326.400 3.251 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000372744736 157376473 /nfs/dbraw/zinc/37/64/73/157376473.db2.gz VHTXKIDOEIAHKE-CYBMUJFWSA-N 1 2 343.387 3.107 20 5 EGBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000134727003 162498531 /nfs/dbraw/zinc/49/85/31/162498531.db2.gz PVKVGUUGUQRWSJ-CYBMUJFWSA-N 1 2 334.763 3.339 20 5 EGBDLO C[NH+](C)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Cl ZINC000337264054 163186784 /nfs/dbraw/zinc/18/67/84/163186784.db2.gz ZIZWVKNTWLCZDM-UHFFFAOYSA-N 1 2 349.774 3.268 20 5 EGBDLO Cc1ccc(Cc2noc(COc3ccc([N+](=O)[O-])c(C)c3)n2)c[nH+]1 ZINC000346132446 164345680 /nfs/dbraw/zinc/34/56/80/164345680.db2.gz LPXOECKNCAKVIK-UHFFFAOYSA-N 1 2 340.339 3.159 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000352243018 165303833 /nfs/dbraw/zinc/30/38/33/165303833.db2.gz VPBGSSTZFUDJEP-UHFFFAOYSA-N 1 2 334.807 3.394 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000352243018 165303837 /nfs/dbraw/zinc/30/38/37/165303837.db2.gz VPBGSSTZFUDJEP-UHFFFAOYSA-N 1 2 334.807 3.394 20 5 EGBDLO O=[N+]([O-])c1ccccc1Cc1noc(CCc2[nH]c3ccccc3[nH+]2)n1 ZINC000355691142 166284213 /nfs/dbraw/zinc/28/42/13/166284213.db2.gz SBBMBEBXAUEXOQ-UHFFFAOYSA-N 1 2 349.350 3.230 20 5 EGBDLO Cc1cccc(CCNc2ncc([N+](=O)[O-])cc2Br)[nH+]1 ZINC000359827369 167242483 /nfs/dbraw/zinc/24/24/83/167242483.db2.gz CMRBUNVTVHVTLY-UHFFFAOYSA-N 1 2 337.177 3.110 20 5 EGBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000367289239 168201258 /nfs/dbraw/zinc/20/12/58/168201258.db2.gz JJUQSSNSCFHQTF-INIZCTEOSA-N 1 2 345.786 3.035 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccncc2)C2CC2)c2c(c1)COCO2 ZINC000122333081 222064208 /nfs/dbraw/zinc/06/42/08/222064208.db2.gz UDNHYBXEMOOWQI-UHFFFAOYSA-N 1 2 341.367 3.021 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccncc2)C2CC2)c2c(c1)COCO2 ZINC000122333081 222064210 /nfs/dbraw/zinc/06/42/10/222064210.db2.gz UDNHYBXEMOOWQI-UHFFFAOYSA-N 1 2 341.367 3.021 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)nc1-c1ccc(F)cc1 ZINC000357551333 275036976 /nfs/dbraw/zinc/03/69/76/275036976.db2.gz SZVYZZXRLFGZPJ-UHFFFAOYSA-N 1 2 339.330 3.013 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O2 ZINC000279787416 275359492 /nfs/dbraw/zinc/35/94/92/275359492.db2.gz OAQNNFJSTUZWGK-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O2 ZINC000279787416 275359493 /nfs/dbraw/zinc/35/94/93/275359493.db2.gz OAQNNFJSTUZWGK-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO CC(=O)c1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1[N+](=O)[O-] ZINC000283775982 275750530 /nfs/dbraw/zinc/75/05/30/275750530.db2.gz POLTZRZSGOHHMS-UHFFFAOYSA-N 1 2 342.399 3.217 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@]2(CO)CCCc3ccccc32)c(F)c1 ZINC000285417246 275873584 /nfs/dbraw/zinc/87/35/84/275873584.db2.gz VLUIZLUAYBSZST-SFHVURJKSA-N 1 2 348.349 3.187 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000286474033 276004851 /nfs/dbraw/zinc/00/48/51/276004851.db2.gz PJCQYNMQHKCGEZ-BDJLRTHQSA-N 1 2 326.343 3.000 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000286474033 276004854 /nfs/dbraw/zinc/00/48/54/276004854.db2.gz PJCQYNMQHKCGEZ-BDJLRTHQSA-N 1 2 326.343 3.000 20 5 EGBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000289458930 276342054 /nfs/dbraw/zinc/34/20/54/276342054.db2.gz GAPCMUMBKDVYNE-PHIMTYICSA-N 1 2 339.189 3.053 20 5 EGBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000289458930 276342056 /nfs/dbraw/zinc/34/20/56/276342056.db2.gz GAPCMUMBKDVYNE-PHIMTYICSA-N 1 2 339.189 3.053 20 5 EGBDLO COC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000289540996 276355248 /nfs/dbraw/zinc/35/52/48/276355248.db2.gz CLVSZGSLZYFIKZ-UHFFFAOYSA-N 1 2 347.198 3.287 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000289709805 276381539 /nfs/dbraw/zinc/38/15/39/276381539.db2.gz CHIYDEMTRPOMOZ-GFCCVEGCSA-N 1 2 347.762 3.033 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000289709805 276381541 /nfs/dbraw/zinc/38/15/41/276381541.db2.gz CHIYDEMTRPOMOZ-GFCCVEGCSA-N 1 2 347.762 3.033 20 5 EGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000132273672 307655957 /nfs/dbraw/zinc/65/59/57/307655957.db2.gz JQIBLHJMVGWVEV-UHFFFAOYSA-N 1 2 347.346 3.487 20 5 EGBDLO Cc1nnsc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292853869 308072693 /nfs/dbraw/zinc/07/26/93/308072693.db2.gz UKHUORDEIWEXGG-UHFFFAOYSA-N 1 2 333.200 3.351 20 5 EGBDLO CC(C)[C@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(C)C ZINC000293963137 308178312 /nfs/dbraw/zinc/17/83/12/308178312.db2.gz PUPJCFWMSNJYCA-MRXNPFEDSA-N 1 2 342.399 3.287 20 5 EGBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000294949806 308275367 /nfs/dbraw/zinc/27/53/67/308275367.db2.gz CZLFCVNVGGPFGQ-ZDUSSCGKSA-N 1 2 326.805 3.475 20 5 EGBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000294949806 308275368 /nfs/dbraw/zinc/27/53/68/308275368.db2.gz CZLFCVNVGGPFGQ-ZDUSSCGKSA-N 1 2 326.805 3.475 20 5 EGBDLO CS[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000294975842 308278161 /nfs/dbraw/zinc/27/81/61/308278161.db2.gz LMCXWLHQRGHNBU-AWEZNQCLSA-N 1 2 330.413 3.302 20 5 EGBDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000296152360 308399006 /nfs/dbraw/zinc/39/90/06/308399006.db2.gz XQOUDXWTBIILNP-HIFRSBDPSA-N 1 2 342.399 3.028 20 5 EGBDLO CC(=O)c1ccc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000296281881 308411759 /nfs/dbraw/zinc/41/17/59/308411759.db2.gz KZGSBQSTBHIRBW-HNNXBMFYSA-N 1 2 328.372 3.118 20 5 EGBDLO COc1ccc(C[NH2+]C2(c3noc(C)n3)CCCCC2)cc1[N+](=O)[O-] ZINC000299285565 308668619 /nfs/dbraw/zinc/66/86/19/308668619.db2.gz XWWCXHUHLYIQRM-UHFFFAOYSA-N 1 2 346.387 3.244 20 5 EGBDLO Cc1ccc(CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[nH+]c1 ZINC000413349568 309028068 /nfs/dbraw/zinc/02/80/68/309028068.db2.gz GWKFUKREFRIBKE-UHFFFAOYSA-N 1 2 342.399 3.091 20 5 EGBDLO C[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000432315265 309657155 /nfs/dbraw/zinc/65/71/55/309657155.db2.gz QOOJYMCZBUQJLQ-SUMWQHHRSA-N 1 2 337.383 3.427 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(CO)[nH+]2)o1 ZINC000432725739 309666817 /nfs/dbraw/zinc/66/68/17/309666817.db2.gz BMBCKCNFJUODJB-UHFFFAOYSA-N 1 2 325.324 3.354 20 5 EGBDLO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cncs1 ZINC000448369983 310003270 /nfs/dbraw/zinc/00/32/70/310003270.db2.gz DLWQLJGKRCWLKF-GQCTYLIASA-N 1 2 333.413 3.213 20 5 EGBDLO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cncs1 ZINC000448369983 310003271 /nfs/dbraw/zinc/00/32/71/310003271.db2.gz DLWQLJGKRCWLKF-GQCTYLIASA-N 1 2 333.413 3.213 20 5 EGBDLO CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448697913 310013157 /nfs/dbraw/zinc/01/31/57/310013157.db2.gz CRKBUISGXMFDMK-ZDUSSCGKSA-N 1 2 328.372 3.043 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccnn1C1CCCC1)CC2 ZINC000449029567 310030911 /nfs/dbraw/zinc/03/09/11/310030911.db2.gz QUGVQCXXUJMOLD-UHFFFAOYSA-N 1 2 326.400 3.465 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccnn1C1CCCC1)CC2 ZINC000449029567 310030912 /nfs/dbraw/zinc/03/09/12/310030912.db2.gz QUGVQCXXUJMOLD-UHFFFAOYSA-N 1 2 326.400 3.465 20 5 EGBDLO CCSCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449997183 310098208 /nfs/dbraw/zinc/09/82/08/310098208.db2.gz CRPKYOBFEWOCBZ-LBPRGKRZSA-N 1 2 348.428 3.042 20 5 EGBDLO CC1(C)CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450063643 310101484 /nfs/dbraw/zinc/10/14/84/310101484.db2.gz BDFKCHNVYVTNIV-OAHLLOKOSA-N 1 2 328.372 3.089 20 5 EGBDLO C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450200280 310108322 /nfs/dbraw/zinc/10/83/22/310108322.db2.gz IQIMMESVEUSIFA-ZIAGYGMSSA-N 1 2 342.399 3.289 20 5 EGBDLO C[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000450671915 310136459 /nfs/dbraw/zinc/13/64/59/310136459.db2.gz GSSHSMNHBQYLCU-JTQLQIEISA-N 1 2 328.294 3.204 20 5 EGBDLO C[C@@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450726046 310139537 /nfs/dbraw/zinc/13/95/37/310139537.db2.gz UEQUPMYOQLERCR-CYBMUJFWSA-N 1 2 328.372 3.043 20 5 EGBDLO CCC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000452974013 310251497 /nfs/dbraw/zinc/25/14/97/310251497.db2.gz KPOBZEQFSBHHRV-UHFFFAOYSA-N 1 2 328.372 3.233 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000510117458 312133263 /nfs/dbraw/zinc/13/32/63/312133263.db2.gz FUNVHPHWNNGRLB-UHFFFAOYSA-N 1 2 341.358 3.399 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)c(F)c1 ZINC000536371981 314109606 /nfs/dbraw/zinc/10/96/06/314109606.db2.gz YMZKYJSKRRMTNZ-UHFFFAOYSA-N 1 2 330.363 3.205 20 5 EGBDLO CCn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000536669635 314137622 /nfs/dbraw/zinc/13/76/22/314137622.db2.gz VYOCXRRXNBIKRT-UHFFFAOYSA-N 1 2 340.330 3.045 20 5 EGBDLO CCn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000536669635 314137626 /nfs/dbraw/zinc/13/76/26/314137626.db2.gz VYOCXRRXNBIKRT-UHFFFAOYSA-N 1 2 340.330 3.045 20 5 EGBDLO Cc1cc(NC[C@@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000540027126 314358521 /nfs/dbraw/zinc/35/85/21/314358521.db2.gz DGLPBXZIQABQLF-ZIAGYGMSSA-N 1 2 342.399 3.009 20 5 EGBDLO Cc1cccn2cc(Cc3noc(Cc4cccc([N+](=O)[O-])c4)n3)[nH+]c12 ZINC000545675617 314775842 /nfs/dbraw/zinc/77/58/42/314775842.db2.gz SJFCPKLRZHMMDC-UHFFFAOYSA-N 1 2 349.350 3.116 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC[C@@H](F)C1 ZINC000564902973 316230059 /nfs/dbraw/zinc/23/00/59/316230059.db2.gz FUTDQHIXGGGBBH-HUUCEWRRSA-N 1 2 337.395 3.120 20 5 EGBDLO CCc1cc(N[C@@H]2CC[C@@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000565793979 316370492 /nfs/dbraw/zinc/37/04/92/316370492.db2.gz AGYDLZLVMKVCPB-TZMCWYRMSA-N 1 2 330.363 3.339 20 5 EGBDLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181837326 323507211 /nfs/dbraw/zinc/50/72/11/323507211.db2.gz MVBWJKSAHGRASP-NWDGAFQWSA-N 1 2 334.376 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1cccc(F)c1F)CCO2 ZINC000580501236 325257115 /nfs/dbraw/zinc/25/71/15/325257115.db2.gz VOOHGKDTSOZAQM-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1cccc(F)c1F)CCO2 ZINC000580501236 325257117 /nfs/dbraw/zinc/25/71/17/325257117.db2.gz VOOHGKDTSOZAQM-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO Cn1cc[nH+]c1CSc1nc2cc3ccccc3cc2c(=O)n1C ZINC000158293911 455288778 /nfs/dbraw/zinc/28/87/78/455288778.db2.gz JBYYDNMKWMVSEG-UHFFFAOYSA-N 1 2 336.420 3.113 20 5 EGBDLO COc1ccccc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015296262 453565395 /nfs/dbraw/zinc/56/53/95/453565395.db2.gz DLDSFFWMHKUPDR-UHFFFAOYSA-N 1 2 344.367 3.102 20 5 EGBDLO COc1ccccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015296262 453565397 /nfs/dbraw/zinc/56/53/97/453565397.db2.gz DLDSFFWMHKUPDR-UHFFFAOYSA-N 1 2 344.367 3.102 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)c2ncccc12 ZINC000024201409 453728193 /nfs/dbraw/zinc/72/81/93/453728193.db2.gz HGUMZDNKNIFWRC-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO CCn1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000616785237 460618686 /nfs/dbraw/zinc/61/86/86/460618686.db2.gz FPIICNMEMNOWOY-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO CCn1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000616785237 460618693 /nfs/dbraw/zinc/61/86/93/460618693.db2.gz FPIICNMEMNOWOY-UHFFFAOYSA-N 1 2 341.371 3.098 20 5 EGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347764 453797771 /nfs/dbraw/zinc/79/77/71/453797771.db2.gz JKFKLRBFUSXULG-OAHLLOKOSA-N 1 2 341.411 3.246 20 5 EGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347764 453797772 /nfs/dbraw/zinc/79/77/72/453797772.db2.gz JKFKLRBFUSXULG-OAHLLOKOSA-N 1 2 341.411 3.246 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)s1 ZINC000054389785 453927300 /nfs/dbraw/zinc/92/73/00/453927300.db2.gz SGCQYPYTRYJGCI-AWEZNQCLSA-N 1 2 333.413 3.142 20 5 EGBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000076342724 453991537 /nfs/dbraw/zinc/99/15/37/453991537.db2.gz WKORORCNUSRZLC-UHFFFAOYSA-N 1 2 333.413 3.344 20 5 EGBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000076342724 453991542 /nfs/dbraw/zinc/99/15/42/453991542.db2.gz WKORORCNUSRZLC-UHFFFAOYSA-N 1 2 333.413 3.344 20 5 EGBDLO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056197143 454043620 /nfs/dbraw/zinc/04/36/20/454043620.db2.gz HPOXVRPJWXOBQW-SCLBCKFNSA-N 1 2 339.395 3.265 20 5 EGBDLO C[C@H](c1ccco1)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086235407 454045719 /nfs/dbraw/zinc/04/57/19/454045719.db2.gz MYAJCMLTLWBNFG-CYBMUJFWSA-N 1 2 343.383 3.376 20 5 EGBDLO C[C@H](c1ccco1)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086235407 454045721 /nfs/dbraw/zinc/04/57/21/454045721.db2.gz MYAJCMLTLWBNFG-CYBMUJFWSA-N 1 2 343.383 3.376 20 5 EGBDLO Cc1cc(NCCCn2cccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057826459 454149503 /nfs/dbraw/zinc/14/95/03/454149503.db2.gz VKBDJAMKDUJNRC-UHFFFAOYSA-N 1 2 338.371 3.059 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])ccc2n1C ZINC000089587371 454163696 /nfs/dbraw/zinc/16/36/96/454163696.db2.gz PMRNQHZPUQAYQM-UHFFFAOYSA-N 1 2 342.330 3.490 20 5 EGBDLO O=C(NCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000095449591 454214936 /nfs/dbraw/zinc/21/49/36/454214936.db2.gz CICMHOJJWULFTA-UHFFFAOYSA-N 1 2 346.412 3.283 20 5 EGBDLO CC(=O)c1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000060369816 454282798 /nfs/dbraw/zinc/28/27/98/454282798.db2.gz BETUHJGYLKKABG-UHFFFAOYSA-N 1 2 328.372 3.497 20 5 EGBDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000078798706 454320784 /nfs/dbraw/zinc/32/07/84/454320784.db2.gz XSSMKJCQXPYUAU-UHFFFAOYSA-N 1 2 330.391 3.394 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000048374321 454482846 /nfs/dbraw/zinc/48/28/46/454482846.db2.gz WCJSLKUHIRGADG-AWEZNQCLSA-N 1 2 331.397 3.432 20 5 EGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000048374321 454482848 /nfs/dbraw/zinc/48/28/48/454482848.db2.gz WCJSLKUHIRGADG-AWEZNQCLSA-N 1 2 331.397 3.432 20 5 EGBDLO O=C(NCCNc1cccc[nH+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000073970772 454509655 /nfs/dbraw/zinc/50/96/55/454509655.db2.gz UBEMTAWVPGNRBZ-UHFFFAOYSA-N 1 2 342.380 3.046 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000080442059 454582749 /nfs/dbraw/zinc/58/27/49/454582749.db2.gz WIODICWLCFGNDO-UHFFFAOYSA-N 1 2 332.316 3.233 20 5 EGBDLO Cc1cc(N2CCC[C@@H]2C(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000092693081 454612447 /nfs/dbraw/zinc/61/24/47/454612447.db2.gz ISGFOYVEOHHHPZ-OAHLLOKOSA-N 1 2 342.399 3.100 20 5 EGBDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000051231292 454614329 /nfs/dbraw/zinc/61/43/29/454614329.db2.gz DEVMTQSUOMHSII-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000051231292 454614334 /nfs/dbraw/zinc/61/43/34/454614334.db2.gz DEVMTQSUOMHSII-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO CCOc1cc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000080775222 454632273 /nfs/dbraw/zinc/63/22/73/454632273.db2.gz VXLXOTLHJFJDNZ-UHFFFAOYSA-N 1 2 326.356 3.296 20 5 EGBDLO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093102259 454683495 /nfs/dbraw/zinc/68/34/95/454683495.db2.gz OANCHZAOHFDFEM-ZDUSSCGKSA-N 1 2 330.384 3.372 20 5 EGBDLO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093102259 454683498 /nfs/dbraw/zinc/68/34/98/454683498.db2.gz OANCHZAOHFDFEM-ZDUSSCGKSA-N 1 2 330.384 3.372 20 5 EGBDLO Cc1c([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000152665270 454707693 /nfs/dbraw/zinc/70/76/93/454707693.db2.gz VNSZKDNTSCIHCF-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO CN(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCCC1 ZINC000153334598 454783393 /nfs/dbraw/zinc/78/33/93/454783393.db2.gz MZVGGADBYFWVEX-UHFFFAOYSA-N 1 2 345.443 3.350 20 5 EGBDLO CN(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCCC1 ZINC000153334598 454783397 /nfs/dbraw/zinc/78/33/97/454783397.db2.gz MZVGGADBYFWVEX-UHFFFAOYSA-N 1 2 345.443 3.350 20 5 EGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000138891494 454799673 /nfs/dbraw/zinc/79/96/73/454799673.db2.gz JWZYLLRIDSEQCZ-INIZCTEOSA-N 1 2 341.367 3.076 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000138891494 454799677 /nfs/dbraw/zinc/79/96/77/454799677.db2.gz JWZYLLRIDSEQCZ-INIZCTEOSA-N 1 2 341.367 3.076 20 5 EGBDLO O=[N+]([O-])c1ccc(NC2CC[NH+](CC(F)F)CC2)c2ccncc21 ZINC000141197968 454828060 /nfs/dbraw/zinc/82/80/60/454828060.db2.gz HMTSWAASDQXGRN-UHFFFAOYSA-N 1 2 336.342 3.284 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cccnc1 ZINC000150881064 454907601 /nfs/dbraw/zinc/90/76/01/454907601.db2.gz AUDDQZZGQJEYDY-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cccnc1 ZINC000150881064 454907606 /nfs/dbraw/zinc/90/76/06/454907606.db2.gz AUDDQZZGQJEYDY-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000170605639 454940378 /nfs/dbraw/zinc/94/03/78/454940378.db2.gz KKZWMAIVGZHWOT-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000127770982 454995507 /nfs/dbraw/zinc/99/55/07/454995507.db2.gz ZIVRXRCJWQAPPJ-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000127770982 454995511 /nfs/dbraw/zinc/99/55/11/454995511.db2.gz ZIVRXRCJWQAPPJ-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000128396651 455052057 /nfs/dbraw/zinc/05/20/57/455052057.db2.gz TZEXDDDIMKYMQE-LLVKDONJSA-N 1 2 349.412 3.124 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC000128396651 455052059 /nfs/dbraw/zinc/05/20/59/455052059.db2.gz TZEXDDDIMKYMQE-LLVKDONJSA-N 1 2 349.412 3.124 20 5 EGBDLO C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000172082968 455119598 /nfs/dbraw/zinc/11/95/98/455119598.db2.gz YJRJCVGCAOKJCQ-DYVFJYSZSA-N 1 2 327.384 3.075 20 5 EGBDLO O=[N+]([O-])c1cccc(OCCOc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000181660389 455369733 /nfs/dbraw/zinc/36/97/33/455369733.db2.gz MYFJXGGDXYLPRI-UHFFFAOYSA-N 1 2 325.324 3.238 20 5 EGBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267020780 455493380 /nfs/dbraw/zinc/49/33/80/455493380.db2.gz KDAYLLFKKOMJKU-AWEZNQCLSA-N 1 2 344.390 3.008 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@](=O)C1 ZINC000277561271 455598632 /nfs/dbraw/zinc/59/86/32/455598632.db2.gz RVIIHIURKDNVHV-OZAJXLCCSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@](=O)C1 ZINC000277561271 455598634 /nfs/dbraw/zinc/59/86/34/455598634.db2.gz RVIIHIURKDNVHV-OZAJXLCCSA-N 1 2 348.424 3.055 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000284030274 455625235 /nfs/dbraw/zinc/62/52/35/455625235.db2.gz IINSHLITEQZWQJ-UHFFFAOYSA-N 1 2 328.328 3.063 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000284030274 455625241 /nfs/dbraw/zinc/62/52/41/455625241.db2.gz IINSHLITEQZWQJ-UHFFFAOYSA-N 1 2 328.328 3.063 20 5 EGBDLO C[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247593194 455629554 /nfs/dbraw/zinc/62/95/54/455629554.db2.gz MQJDCHVDVCYSCC-CXAGYDPISA-N 1 2 337.383 3.427 20 5 EGBDLO CCC(=O)c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000280148226 455902137 /nfs/dbraw/zinc/90/21/37/455902137.db2.gz ZSOIRADCWZBVFW-UHFFFAOYSA-N 1 2 343.383 3.103 20 5 EGBDLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000296512553 455959525 /nfs/dbraw/zinc/95/95/25/455959525.db2.gz PNWLKGHPWLEPDZ-SECBINFHSA-N 1 2 326.278 3.254 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757495 456062146 /nfs/dbraw/zinc/06/21/46/456062146.db2.gz BQVMKIBBOJAABY-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757495 456062153 /nfs/dbraw/zinc/06/21/53/456062153.db2.gz BQVMKIBBOJAABY-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000281100429 456133930 /nfs/dbraw/zinc/13/39/30/456133930.db2.gz AKUQQOKDWCOUFE-CYBMUJFWSA-N 1 2 330.331 3.197 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000281100429 456133937 /nfs/dbraw/zinc/13/39/37/456133937.db2.gz AKUQQOKDWCOUFE-CYBMUJFWSA-N 1 2 330.331 3.197 20 5 EGBDLO Cc1ccnc(N(C)Cc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000302011778 456268618 /nfs/dbraw/zinc/26/86/18/456268618.db2.gz WRMLZRQAWZGXIQ-UHFFFAOYSA-N 1 2 337.383 3.179 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000347804608 456376290 /nfs/dbraw/zinc/37/62/90/456376290.db2.gz ALJYBXITMJJQDL-UHFFFAOYSA-N 1 2 342.399 3.023 20 5 EGBDLO CCOc1cc(C[N@H+](CCOC)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000277135040 456693415 /nfs/dbraw/zinc/69/34/15/456693415.db2.gz SYSVBLJYPFNBRX-UHFFFAOYSA-N 1 2 345.399 3.037 20 5 EGBDLO CCOc1cc(C[N@@H+](CCOC)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000277135040 456693421 /nfs/dbraw/zinc/69/34/21/456693421.db2.gz SYSVBLJYPFNBRX-UHFFFAOYSA-N 1 2 345.399 3.037 20 5 EGBDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283027183 456694323 /nfs/dbraw/zinc/69/43/23/456694323.db2.gz HIMLAFWOOZWYOZ-PWSUYJOCSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283027183 456694330 /nfs/dbraw/zinc/69/43/30/456694330.db2.gz HIMLAFWOOZWYOZ-PWSUYJOCSA-N 1 2 343.221 3.093 20 5 EGBDLO Nc1nc(Nc2ccc([NH2+]C3CCCCC3)cc2)ncc1[N+](=O)[O-] ZINC000301161058 456811027 /nfs/dbraw/zinc/81/10/27/456811027.db2.gz PIRTXBQPFAMLQY-UHFFFAOYSA-N 1 2 328.376 3.455 20 5 EGBDLO Cc1cc(N[C@H]2C[C@H]2c2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339098146 456939569 /nfs/dbraw/zinc/93/95/69/456939569.db2.gz NQSCWWLGEBEMDG-IRXDYDNUSA-N 1 2 347.378 3.145 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000339169521 456975044 /nfs/dbraw/zinc/97/50/44/456975044.db2.gz VVHHVMFRJADUEL-UHFFFAOYSA-N 1 2 331.347 3.156 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn2c1 ZINC000342157727 457140445 /nfs/dbraw/zinc/14/04/45/457140445.db2.gz QTKJSDMLSHGYIN-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO Cc1cc(F)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(F)c1 ZINC000425339127 457504098 /nfs/dbraw/zinc/50/40/98/457504098.db2.gz RHANKPBEWYXHHO-LBPRGKRZSA-N 1 2 348.353 3.263 20 5 EGBDLO Cc1cc(F)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(F)c1 ZINC000425339127 457504105 /nfs/dbraw/zinc/50/41/05/457504105.db2.gz RHANKPBEWYXHHO-LBPRGKRZSA-N 1 2 348.353 3.263 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000370037449 457513688 /nfs/dbraw/zinc/51/36/88/457513688.db2.gz NJVBZASYDWOWRY-LBPRGKRZSA-N 1 2 343.412 3.275 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000370037449 457513691 /nfs/dbraw/zinc/51/36/91/457513691.db2.gz NJVBZASYDWOWRY-LBPRGKRZSA-N 1 2 343.412 3.275 20 5 EGBDLO Nc1c(F)c(NCc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000356185713 457514166 /nfs/dbraw/zinc/51/41/66/457514166.db2.gz AFHALCDRAJWUOM-UHFFFAOYSA-N 1 2 345.378 3.314 20 5 EGBDLO CCc1ccc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000361116328 457591765 /nfs/dbraw/zinc/59/17/65/457591765.db2.gz RMUCZMLTLGTQHK-UHFFFAOYSA-N 1 2 338.367 3.043 20 5 EGBDLO CC[N@H+](Cc1occc1C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000412030934 458054832 /nfs/dbraw/zinc/05/48/32/458054832.db2.gz XBVXWHNEYFTPRV-CYBMUJFWSA-N 1 2 331.372 3.345 20 5 EGBDLO CC[N@@H+](Cc1occc1C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000412030934 458054840 /nfs/dbraw/zinc/05/48/40/458054840.db2.gz XBVXWHNEYFTPRV-CYBMUJFWSA-N 1 2 331.372 3.345 20 5 EGBDLO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000459099187 458266288 /nfs/dbraw/zinc/26/62/88/458266288.db2.gz FXLGFOXXXRUDDV-RISCZKNCSA-N 1 2 343.387 3.032 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccccc2O1 ZINC000429134216 458279517 /nfs/dbraw/zinc/27/95/17/458279517.db2.gz JLUTYOJQSQPEDR-GFCCVEGCSA-N 1 2 338.367 3.254 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccccc2O1 ZINC000429134216 458279522 /nfs/dbraw/zinc/27/95/22/458279522.db2.gz JLUTYOJQSQPEDR-GFCCVEGCSA-N 1 2 338.367 3.254 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000376494049 458317445 /nfs/dbraw/zinc/31/74/45/458317445.db2.gz CHTMGQSVUVACHS-AWEZNQCLSA-N 1 2 338.379 3.134 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000376494049 458317453 /nfs/dbraw/zinc/31/74/53/458317453.db2.gz CHTMGQSVUVACHS-AWEZNQCLSA-N 1 2 338.379 3.134 20 5 EGBDLO COc1ccc(OCC[N@@H+]2Cc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000459734219 458461859 /nfs/dbraw/zinc/46/18/59/458461859.db2.gz OHTGXMSJQJAHAT-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO COc1ccc(OCC[N@H+]2Cc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000459734219 458461861 /nfs/dbraw/zinc/46/18/61/458461861.db2.gz OHTGXMSJQJAHAT-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437579023 458469959 /nfs/dbraw/zinc/46/99/59/458469959.db2.gz ORJJYMFPJMIHLX-BBRMVZONSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]1c1ccccc1 ZINC000437579023 458469965 /nfs/dbraw/zinc/46/99/65/458469965.db2.gz ORJJYMFPJMIHLX-BBRMVZONSA-N 1 2 325.368 3.369 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000547332507 458720622 /nfs/dbraw/zinc/72/06/22/458720622.db2.gz MMUSLHCUUODULD-UHFFFAOYSA-N 1 2 331.376 3.010 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c2c(c1)COCO2 ZINC000530724930 458818553 /nfs/dbraw/zinc/81/85/53/458818553.db2.gz SKSVXPXKJVEKCL-QGZVFWFLSA-N 1 2 341.367 3.193 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c2c(c1)COCO2 ZINC000530724930 458818558 /nfs/dbraw/zinc/81/85/58/458818558.db2.gz SKSVXPXKJVEKCL-QGZVFWFLSA-N 1 2 341.367 3.193 20 5 EGBDLO CC(C)(NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1[N+](=O)[O-] ZINC000590119897 459088224 /nfs/dbraw/zinc/08/82/24/459088224.db2.gz DFNLYRPLLZONOI-UHFFFAOYSA-N 1 2 339.355 3.299 20 5 EGBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000590754932 459204657 /nfs/dbraw/zinc/20/46/57/459204657.db2.gz UAIAYKKYBAVDQR-UHFFFAOYSA-N 1 2 348.790 3.022 20 5 EGBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000590754932 459204664 /nfs/dbraw/zinc/20/46/64/459204664.db2.gz UAIAYKKYBAVDQR-UHFFFAOYSA-N 1 2 348.790 3.022 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cn2ccsc2n1 ZINC000595005091 459212947 /nfs/dbraw/zinc/21/29/47/459212947.db2.gz COEIRWGZIRSEQY-JTQLQIEISA-N 1 2 332.385 3.163 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cn2ccsc2n1 ZINC000595005093 459213200 /nfs/dbraw/zinc/21/32/00/459213200.db2.gz COEIRWGZIRSEQY-SNVBAGLBSA-N 1 2 332.385 3.163 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000595036188 459224614 /nfs/dbraw/zinc/22/46/14/459224614.db2.gz QHACOJUEEKIOSB-SCLBCKFNSA-N 1 2 341.411 3.441 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000595036188 459224619 /nfs/dbraw/zinc/22/46/19/459224619.db2.gz QHACOJUEEKIOSB-SCLBCKFNSA-N 1 2 341.411 3.441 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000595462421 459310763 /nfs/dbraw/zinc/31/07/63/459310763.db2.gz VBSXHXOYSPYEKH-AWEZNQCLSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000595462421 459310768 /nfs/dbraw/zinc/31/07/68/459310768.db2.gz VBSXHXOYSPYEKH-AWEZNQCLSA-N 1 2 349.337 3.311 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCCc1cn2c(cccc2C)[nH+]1 ZINC000592006272 459509899 /nfs/dbraw/zinc/50/98/99/459509899.db2.gz LFPBWHCYMHZHAD-UHFFFAOYSA-N 1 2 340.383 3.352 20 5 EGBDLO CC(C)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c(=O)c1 ZINC000596204131 459559971 /nfs/dbraw/zinc/55/99/71/459559971.db2.gz VPHXBPAUQGSGSS-UHFFFAOYSA-N 1 2 342.395 3.416 20 5 EGBDLO CC(C)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(O)c(=O)c1 ZINC000596204131 459559976 /nfs/dbraw/zinc/55/99/76/459559976.db2.gz VPHXBPAUQGSGSS-UHFFFAOYSA-N 1 2 342.395 3.416 20 5 EGBDLO CCc1ccc([C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543405318 459654285 /nfs/dbraw/zinc/65/42/85/459654285.db2.gz ZQLAAKKAZPJIRT-OHNRDTAOSA-N 1 2 342.395 3.366 20 5 EGBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586766464 459868313 /nfs/dbraw/zinc/86/83/13/459868313.db2.gz IFQVXCORYFUUIB-MRXNPFEDSA-N 1 2 336.342 3.252 20 5 EGBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586766464 459868316 /nfs/dbraw/zinc/86/83/16/459868316.db2.gz IFQVXCORYFUUIB-MRXNPFEDSA-N 1 2 336.342 3.252 20 5 EGBDLO Cn1cc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)nn1 ZINC000597209768 459878169 /nfs/dbraw/zinc/87/81/69/459878169.db2.gz IZFWELNZJROPHE-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)nn1 ZINC000597209768 459878172 /nfs/dbraw/zinc/87/81/72/459878172.db2.gz IZFWELNZJROPHE-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cn1cc(C[N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)nn1 ZINC000597211578 459879062 /nfs/dbraw/zinc/87/90/62/459879062.db2.gz SGWKRNWVDHADLC-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)nn1 ZINC000597211578 459879070 /nfs/dbraw/zinc/87/90/70/459879070.db2.gz SGWKRNWVDHADLC-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000597253435 459896515 /nfs/dbraw/zinc/89/65/15/459896515.db2.gz CZWNIXRAGSGOFO-XFFZJAGNSA-N 1 2 349.341 3.043 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000597253435 459896522 /nfs/dbraw/zinc/89/65/22/459896522.db2.gz CZWNIXRAGSGOFO-XFFZJAGNSA-N 1 2 349.341 3.043 20 5 EGBDLO Cn1ccnc1[C@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602439735 459939845 /nfs/dbraw/zinc/93/98/45/459939845.db2.gz MJSVYZNCUSRUQT-KRWDZBQOSA-N 1 2 326.400 3.444 20 5 EGBDLO Cn1ccnc1[C@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602439735 459939849 /nfs/dbraw/zinc/93/98/49/459939849.db2.gz MJSVYZNCUSRUQT-KRWDZBQOSA-N 1 2 326.400 3.444 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H](CCO)C2)cc1Br ZINC000602465324 459950094 /nfs/dbraw/zinc/95/00/94/459950094.db2.gz PGIGBFSLUIXXAM-VIFPVBQESA-N 1 2 349.250 3.013 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H](CCO)C2)cc1Br ZINC000602465324 459950103 /nfs/dbraw/zinc/95/01/03/459950103.db2.gz PGIGBFSLUIXXAM-VIFPVBQESA-N 1 2 349.250 3.013 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(OC)ccc1F ZINC000598650025 459977350 /nfs/dbraw/zinc/97/73/50/459977350.db2.gz XIACMLQAHJIGED-UHFFFAOYSA-N 1 2 334.347 3.431 20 5 EGBDLO Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)[nH+]1 ZINC000602574665 460004586 /nfs/dbraw/zinc/00/45/86/460004586.db2.gz LIGZUHQRACSPCR-UHFFFAOYSA-N 1 2 327.388 3.083 20 5 EGBDLO CCCCn1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c(C)n1 ZINC000602583787 460009764 /nfs/dbraw/zinc/00/97/64/460009764.db2.gz URVFRSSMIXGLCO-UHFFFAOYSA-N 1 2 343.387 3.331 20 5 EGBDLO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000589110872 460031260 /nfs/dbraw/zinc/03/12/60/460031260.db2.gz OANALBXHICCDAL-UHFFFAOYSA-N 1 2 347.737 3.002 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@H](CCCO)C2)cc1Br ZINC000602686941 460066781 /nfs/dbraw/zinc/06/67/81/460066781.db2.gz SLWCYYCYFJQLRZ-VIFPVBQESA-N 1 2 349.250 3.013 20 5 EGBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@H](CCCO)C2)cc1Br ZINC000602686941 460066786 /nfs/dbraw/zinc/06/67/86/460066786.db2.gz SLWCYYCYFJQLRZ-VIFPVBQESA-N 1 2 349.250 3.013 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(Cc4ccsc4)C3)nc2c1 ZINC000602716090 460082846 /nfs/dbraw/zinc/08/28/46/460082846.db2.gz SLPXNOVIHYKZPI-UHFFFAOYSA-N 1 2 329.381 3.472 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000610217558 460085355 /nfs/dbraw/zinc/08/53/55/460085355.db2.gz DXBRPVCNFRZTHC-LJQANCHMSA-N 1 2 342.395 3.356 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000610217558 460085359 /nfs/dbraw/zinc/08/53/59/460085359.db2.gz DXBRPVCNFRZTHC-LJQANCHMSA-N 1 2 342.395 3.356 20 5 EGBDLO CN(C(=O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CCCCC1 ZINC000599055653 460142751 /nfs/dbraw/zinc/14/27/51/460142751.db2.gz NYTLLYRNUXYGGU-UHFFFAOYSA-N 1 2 342.399 3.346 20 5 EGBDLO C[C@@H]1CC[C@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)O1 ZINC000599177721 460189661 /nfs/dbraw/zinc/18/96/61/460189661.db2.gz VFANNGKLBRVIGJ-QMTHXVAHSA-N 1 2 341.327 3.071 20 5 EGBDLO Cc1cccn2cc(CCNc3c(F)cc([N+](=O)[O-])cc3F)[nH+]c12 ZINC000610988166 460271939 /nfs/dbraw/zinc/27/19/39/460271939.db2.gz HFAQGCOUMIESGS-UHFFFAOYSA-N 1 2 332.310 3.484 20 5 EGBDLO CNc1ccc(C(=O)Nc2c[nH+]ccc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000611058957 460284067 /nfs/dbraw/zinc/28/40/67/460284067.db2.gz LXADOEXCFRAXDS-UHFFFAOYSA-N 1 2 344.371 3.461 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cscc3Cl)CC2)cn1 ZINC000611254473 460318886 /nfs/dbraw/zinc/31/88/86/460318886.db2.gz CTWXMEFNFCSQJE-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1)OCCO2 ZINC000611274511 460325750 /nfs/dbraw/zinc/32/57/50/460325750.db2.gz GSGVWVOQJIDFNP-OAHLLOKOSA-N 1 2 344.342 3.452 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H]1c1cccc(F)c1)OCCO2 ZINC000611274511 460325754 /nfs/dbraw/zinc/32/57/54/460325754.db2.gz GSGVWVOQJIDFNP-OAHLLOKOSA-N 1 2 344.342 3.452 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1COc1ccccc1-n1cc[nH+]c1 ZINC000619525851 460374458 /nfs/dbraw/zinc/37/44/58/460374458.db2.gz MIHIFOUSGGNYMD-UHFFFAOYSA-N 1 2 325.324 3.368 20 5 EGBDLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604271894 460399078 /nfs/dbraw/zinc/39/90/78/460399078.db2.gz SHNCWHZVSSSCKB-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000611560866 460400363 /nfs/dbraw/zinc/40/03/63/460400363.db2.gz UJMPUSOSXRKVMT-GXTWGEPZSA-N 1 2 336.342 3.195 20 5 EGBDLO COc1cc(C[NH2+][C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])cc1F ZINC000184408251 533893437 /nfs/dbraw/zinc/89/34/37/533893437.db2.gz KODJCZYZEANGCK-VIFPVBQESA-N 1 2 325.365 3.358 20 5 EGBDLO CCc1cc(N[C@H]2C[C@@H]2C(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000577944308 517841193 /nfs/dbraw/zinc/84/11/93/517841193.db2.gz GTOYDVBJJYKFAK-STQMWFEESA-N 1 2 334.326 3.102 20 5 EGBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(C2CCCC2)CC1 ZINC000743377002 576807579 /nfs/dbraw/zinc/80/75/79/576807579.db2.gz KJAKMKGRTKDVOI-UHFFFAOYSA-N 1 2 345.399 3.362 20 5 EGBDLO CC1=C(Br)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000797529156 1310209037 /nfs/dbraw/zinc/20/90/37/1310209037.db2.gz KAIWMHQPBIXXJP-UHFFFAOYSA-N 1 2 341.205 3.348 20 5 EGBDLO CC1=C(Br)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000797529156 1310209046 /nfs/dbraw/zinc/20/90/46/1310209046.db2.gz KAIWMHQPBIXXJP-UHFFFAOYSA-N 1 2 341.205 3.348 20 5 EGBDLO O=C(OCC1CCSCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835197659 1293231246 /nfs/dbraw/zinc/23/12/46/1293231246.db2.gz OVIRFQUNZQZXKW-UHFFFAOYSA-N 1 2 347.396 3.081 20 5 EGBDLO O=C(OCCCCCCF)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835445691 1293293037 /nfs/dbraw/zinc/29/30/37/1293293037.db2.gz KZQARIAAOKLLLN-UHFFFAOYSA-N 1 2 335.335 3.467 20 5 EGBDLO CC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000835656629 1293340204 /nfs/dbraw/zinc/34/02/04/1293340204.db2.gz HQEOTEWXLIOMCS-LBPRGKRZSA-N 1 2 343.261 3.278 20 5 EGBDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153895615 1294033490 /nfs/dbraw/zinc/03/34/90/1294033490.db2.gz ARFKMQYLSXIZRR-KRWDZBQOSA-N 1 2 336.338 3.429 20 5 EGBDLO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153895615 1294033492 /nfs/dbraw/zinc/03/34/92/1294033492.db2.gz ARFKMQYLSXIZRR-KRWDZBQOSA-N 1 2 336.338 3.429 20 5 EGBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)[nH]1 ZINC000872050564 1296701266 /nfs/dbraw/zinc/70/12/66/1296701266.db2.gz CDYAALLITHHFKK-NXEZZACHSA-N 1 2 335.433 3.409 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000312178675 1297114627 /nfs/dbraw/zinc/11/46/27/1297114627.db2.gz MYEIYMSNBFZJEQ-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000312178675 1297114636 /nfs/dbraw/zinc/11/46/36/1297114636.db2.gz MYEIYMSNBFZJEQ-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761047496 1301388189 /nfs/dbraw/zinc/38/81/89/1301388189.db2.gz VMSGISFUUULERL-GHMZBOCLSA-N 1 2 345.321 3.114 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761047496 1301388198 /nfs/dbraw/zinc/38/81/98/1301388198.db2.gz VMSGISFUUULERL-GHMZBOCLSA-N 1 2 345.321 3.114 20 5 EGBDLO Cc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(N(C)C)[nH+]1 ZINC000762157356 1301622896 /nfs/dbraw/zinc/62/28/96/1301622896.db2.gz UWDGCNWIZJXUDI-GFCCVEGCSA-N 1 2 328.372 3.106 20 5 EGBDLO CSc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000770921656 1303331771 /nfs/dbraw/zinc/33/17/71/1303331771.db2.gz FRXJAZQXFLVJNI-UHFFFAOYSA-N 1 2 343.364 3.321 20 5 EGBDLO C[N@H+](CC(F)F)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000771155845 1303368671 /nfs/dbraw/zinc/36/86/71/1303368671.db2.gz VJZGQXXYOKPASH-UHFFFAOYSA-N 1 2 333.766 3.414 20 5 EGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000771155845 1303368675 /nfs/dbraw/zinc/36/86/75/1303368675.db2.gz VJZGQXXYOKPASH-UHFFFAOYSA-N 1 2 333.766 3.414 20 5 EGBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000773992599 1303762270 /nfs/dbraw/zinc/76/22/70/1303762270.db2.gz HSRUEMZRTKAQRW-UHFFFAOYSA-N 1 2 348.362 3.292 20 5 EGBDLO Cn1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1C1CC1 ZINC000891622698 1305113964 /nfs/dbraw/zinc/11/39/64/1305113964.db2.gz IKQPJVKPBSPFHQ-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO Cn1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1C1CC1 ZINC000891622698 1305113970 /nfs/dbraw/zinc/11/39/70/1305113970.db2.gz IKQPJVKPBSPFHQ-UHFFFAOYSA-N 1 2 326.400 3.370 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O2 ZINC000790931834 1308890221 /nfs/dbraw/zinc/89/02/21/1308890221.db2.gz LBNWXMOWCUMEDD-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)O2 ZINC000790931834 1308890228 /nfs/dbraw/zinc/89/02/28/1308890228.db2.gz LBNWXMOWCUMEDD-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895351374 1309294130 /nfs/dbraw/zinc/29/41/30/1309294130.db2.gz XDIJUUACTKHEMA-UHFFFAOYSA-N 1 2 340.383 3.273 20 5 EGBDLO CN(C)c1cc(COc2cc(F)c([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000795245481 1309705082 /nfs/dbraw/zinc/70/50/82/1309705082.db2.gz OGYCWHKHVZJTMU-UHFFFAOYSA-N 1 2 325.727 3.427 20 5 EGBDLO CSC1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000799693547 1310601467 /nfs/dbraw/zinc/60/14/67/1310601467.db2.gz OHUYLLLTMGEAGJ-UHFFFAOYSA-N 1 2 347.396 3.223 20 5 EGBDLO Cc1cccn2cc(CCNc3c([N+](=O)[O-])cccc3[N+](=O)[O-])[nH+]c12 ZINC000804530880 1317256198 /nfs/dbraw/zinc/25/61/98/1317256198.db2.gz HCAOARHEEQGYFP-UHFFFAOYSA-N 1 2 341.327 3.114 20 5 EGBDLO C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815650710 1319037610 /nfs/dbraw/zinc/03/76/10/1319037610.db2.gz ZDNODKIYUUIZBV-MRVPVSSYSA-N 1 2 325.290 3.445 20 5 EGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000917611946 1319849182 /nfs/dbraw/zinc/84/91/82/1319849182.db2.gz QVYMJOIHPUDAMG-UHFFFAOYSA-N 1 2 340.314 3.231 20 5 EGBDLO CC(C)SCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102352 1320727723 /nfs/dbraw/zinc/72/77/23/1320727723.db2.gz PHDBADKJFDENNF-UHFFFAOYSA-N 1 2 335.385 3.079 20 5 EGBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000839134171 1320877619 /nfs/dbraw/zinc/87/76/19/1320877619.db2.gz AVXJQVVOXJAZIR-UHFFFAOYSA-N 1 2 343.811 3.205 20 5 EGBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000839134171 1320877625 /nfs/dbraw/zinc/87/76/25/1320877625.db2.gz AVXJQVVOXJAZIR-UHFFFAOYSA-N 1 2 343.811 3.205 20 5 EGBDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839526097 1320932582 /nfs/dbraw/zinc/93/25/82/1320932582.db2.gz AVQNXGJISCNMBI-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839526097 1320932584 /nfs/dbraw/zinc/93/25/84/1320932584.db2.gz AVQNXGJISCNMBI-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000845529941 1321716578 /nfs/dbraw/zinc/71/65/78/1321716578.db2.gz UNNOMIWOZDEWAD-LLVKDONJSA-N 1 2 337.738 3.440 20 5 EGBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000852145735 1323155386 /nfs/dbraw/zinc/15/53/86/1323155386.db2.gz SZOOVIFKOHXPQN-UHFFFAOYSA-N 1 2 336.779 3.077 20 5 EGBDLO C/C=C(/C)C(=O)N1CCC2(C[NH+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001035683771 1343138773 /nfs/dbraw/zinc/13/87/73/1343138773.db2.gz NAMVGRWTYDDKQJ-DXNYSGJVSA-N 1 2 349.456 3.047 20 5 EGBDLO CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001120765629 1371749460 /nfs/dbraw/zinc/74/94/60/1371749460.db2.gz MTROKDIEEPJRCX-HNNXBMFYSA-N 1 2 328.372 3.041 20 5 EGBDLO Nc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC001209935851 1372235916 /nfs/dbraw/zinc/23/59/16/1372235916.db2.gz YNHNECBGOVQAOV-UHFFFAOYSA-N 1 2 348.160 3.331 20 5 EGBDLO COc1cnc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c([N+](=O)[O-])c1 ZINC001160684157 1382169947 /nfs/dbraw/zinc/16/99/47/1382169947.db2.gz XNDFGHZUNVUOQY-NSHDSACASA-N 1 2 327.344 3.128 20 5 EGBDLO CN1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001319906976 1386381698 /nfs/dbraw/zinc/38/16/98/1386381698.db2.gz JIXHMEPGPHOFNF-UHFFFAOYSA-N 1 2 335.791 3.256 20 5 EGBDLO Cc1[nH]c(CNc2c(Br)cccc2[N+](=O)[O-])[nH+]c1C ZINC001336711069 1389143117 /nfs/dbraw/zinc/14/31/17/1389143117.db2.gz MNXHFTYPVGMILT-UHFFFAOYSA-N 1 2 325.166 3.309 20 5 EGBDLO CN(C)c1ccc(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)c[nH+]1 ZINC001330502772 1389434977 /nfs/dbraw/zinc/43/49/77/1389434977.db2.gz JBAFJUPARUOFBT-UHFFFAOYSA-N 1 2 344.762 3.396 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000054570807 214244798 /nfs/dbraw/zinc/24/47/98/214244798.db2.gz WMZNGSBLUOCYRT-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO C[C@H]1CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000187100047 236117646 /nfs/dbraw/zinc/11/76/46/236117646.db2.gz DEPSDOCJRFMKMA-ZDUSSCGKSA-N 1 2 328.372 3.043 20 5 EGBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000110263926 220026630 /nfs/dbraw/zinc/02/66/30/220026630.db2.gz LBDCLMRUVDVMGD-UHFFFAOYSA-N 1 2 327.388 3.030 20 5 EGBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000110263926 220026634 /nfs/dbraw/zinc/02/66/34/220026634.db2.gz LBDCLMRUVDVMGD-UHFFFAOYSA-N 1 2 327.388 3.030 20 5 EGBDLO CSc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000263949358 245895247 /nfs/dbraw/zinc/89/52/47/245895247.db2.gz OJGFGFNIRRKWEF-GFCCVEGCSA-N 1 2 346.412 3.060 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cs1 ZINC000266081635 248083370 /nfs/dbraw/zinc/08/33/70/248083370.db2.gz FWYYOZFDAJQEJZ-GFCCVEGCSA-N 1 2 334.401 3.296 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cs1 ZINC000266081635 248083375 /nfs/dbraw/zinc/08/33/75/248083375.db2.gz FWYYOZFDAJQEJZ-GFCCVEGCSA-N 1 2 334.401 3.296 20 5 EGBDLO CC[N@H+](Cc1cnn(C)c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892285 217874572 /nfs/dbraw/zinc/87/45/72/217874572.db2.gz LMVAMUXVPZNUOD-UHFFFAOYSA-N 1 2 341.371 3.005 20 5 EGBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892285 217874574 /nfs/dbraw/zinc/87/45/74/217874574.db2.gz LMVAMUXVPZNUOD-UHFFFAOYSA-N 1 2 341.371 3.005 20 5 EGBDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000093228215 218206502 /nfs/dbraw/zinc/20/65/02/218206502.db2.gz BPNVORANHJEQFT-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000093228215 218206503 /nfs/dbraw/zinc/20/65/03/218206503.db2.gz BPNVORANHJEQFT-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353441232 141296371 /nfs/dbraw/zinc/29/63/71/141296371.db2.gz ASKVQPKZIMWGQZ-QGZVFWFLSA-N 1 2 340.358 3.347 20 5 EGBDLO C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)S1=O ZINC000361651061 144343369 /nfs/dbraw/zinc/34/33/69/144343369.db2.gz COKBJJFQZQSDRH-CHWSQXEVSA-N 1 2 348.424 3.196 20 5 EGBDLO Cc1cc(NCc2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000195303383 153392077 /nfs/dbraw/zinc/39/20/77/153392077.db2.gz PYYOJRBTOQOQRB-UHFFFAOYSA-N 1 2 327.369 3.429 20 5 EGBDLO Cc1cc(N(C)Cc2ccc(N)[nH+]c2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360048027 156897062 /nfs/dbraw/zinc/89/70/62/156897062.db2.gz PQOCZJVFQJIGGX-UHFFFAOYSA-N 1 2 340.305 3.366 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355293040 166156540 /nfs/dbraw/zinc/15/65/40/166156540.db2.gz SQSGHYKHKHIHKS-NSHDSACASA-N 1 2 342.380 3.362 20 5 EGBDLO Cc1cc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365791065 168043666 /nfs/dbraw/zinc/04/36/66/168043666.db2.gz VFIHZJDVLUKROD-ZDUSSCGKSA-N 1 2 343.387 3.048 20 5 EGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000271551746 266685164 /nfs/dbraw/zinc/68/51/64/266685164.db2.gz PEAUPQBHJDIHRT-UHFFFAOYSA-N 1 2 341.367 3.149 20 5 EGBDLO C[C@H](c1nccs1)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000274275303 267210201 /nfs/dbraw/zinc/21/02/01/267210201.db2.gz BQHWVVMXPRUCCP-ZIAGYGMSSA-N 1 2 346.456 3.491 20 5 EGBDLO Cc1cccc(N2CC[NH+]([C@H](C)c3nccs3)CC2)c1[N+](=O)[O-] ZINC000275477922 267368192 /nfs/dbraw/zinc/36/81/92/267368192.db2.gz PBSISJIFRRNJRZ-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000181442543 274093484 /nfs/dbraw/zinc/09/34/84/274093484.db2.gz VFPHQRWENYIHBM-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO COc1cc(C[N@H+]2CCc3cc(F)ccc3C2)c([N+](=O)[O-])cc1OC ZINC000181442543 274093485 /nfs/dbraw/zinc/09/34/85/274093485.db2.gz VFPHQRWENYIHBM-UHFFFAOYSA-N 1 2 346.358 3.309 20 5 EGBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C2CC2)O1 ZINC000279211617 275312862 /nfs/dbraw/zinc/31/28/62/275312862.db2.gz BVDSYMDQUUIOOC-YVEFUNNKSA-N 1 2 343.383 3.249 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C2CC2)O1 ZINC000279211617 275312864 /nfs/dbraw/zinc/31/28/64/275312864.db2.gz BVDSYMDQUUIOOC-YVEFUNNKSA-N 1 2 343.383 3.249 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CCCO)c2ccccc2)c(F)c1 ZINC000285632021 275897572 /nfs/dbraw/zinc/89/75/72/275897572.db2.gz NKJCLNGRFYARIA-QGZVFWFLSA-N 1 2 336.338 3.476 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373494354 276053260 /nfs/dbraw/zinc/05/32/60/276053260.db2.gz KJDOKJYZPFKERI-KSSFIOAISA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373494354 276053261 /nfs/dbraw/zinc/05/32/61/276053261.db2.gz KJDOKJYZPFKERI-KSSFIOAISA-N 1 2 334.416 3.098 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000288444900 276214764 /nfs/dbraw/zinc/21/47/64/276214764.db2.gz OOPMOOPWNBTFRI-CYBMUJFWSA-N 1 2 332.408 3.068 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000289636143 276370090 /nfs/dbraw/zinc/37/00/90/276370090.db2.gz SDBXSMWBKGJRBU-DOTOQJQBSA-N 1 2 343.383 3.270 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000289636143 276370093 /nfs/dbraw/zinc/37/00/93/276370093.db2.gz SDBXSMWBKGJRBU-DOTOQJQBSA-N 1 2 343.383 3.270 20 5 EGBDLO Cc1[nH+]c(C(C)C)ccc1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000292789811 276875636 /nfs/dbraw/zinc/87/56/36/276875636.db2.gz ZHWDGJDHBXIVKZ-UHFFFAOYSA-N 1 2 327.340 3.378 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC(C)(C)C1 ZINC000173817968 289381399 /nfs/dbraw/zinc/38/13/99/289381399.db2.gz NEURWPNRUJWWDO-SNVBAGLBSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC(C)(C)C1 ZINC000173817968 289381400 /nfs/dbraw/zinc/38/14/00/289381400.db2.gz NEURWPNRUJWWDO-SNVBAGLBSA-N 1 2 325.796 3.307 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066849754 307363738 /nfs/dbraw/zinc/36/37/38/307363738.db2.gz MDSKOYHQARLEMK-SFHVURJKSA-N 1 2 348.349 3.489 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000066849754 307363739 /nfs/dbraw/zinc/36/37/39/307363739.db2.gz MDSKOYHQARLEMK-SFHVURJKSA-N 1 2 348.349 3.489 20 5 EGBDLO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000294667347 308243849 /nfs/dbraw/zinc/24/38/49/308243849.db2.gz HODRMOLMNRLLMK-NXEZZACHSA-N 1 2 336.417 3.192 20 5 EGBDLO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000294667366 308243879 /nfs/dbraw/zinc/24/38/79/308243879.db2.gz HODRMOLMNRLLMK-UWVGGRQHSA-N 1 2 336.417 3.192 20 5 EGBDLO CC(C)c1nnc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]1 ZINC000294932179 308272978 /nfs/dbraw/zinc/27/29/78/308272978.db2.gz ZMHGGXSKRQZQIN-UHFFFAOYSA-N 1 2 341.371 3.386 20 5 EGBDLO CC[C@@H](C)[C@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301258224 308693782 /nfs/dbraw/zinc/69/37/82/308693782.db2.gz UKNGTWHCABVGCJ-IAQYHMDHSA-N 1 2 330.388 3.179 20 5 EGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccccc1[N+](=O)[O-] ZINC000301867011 308719145 /nfs/dbraw/zinc/71/91/45/308719145.db2.gz GGIPMWSEIFFZOC-UHFFFAOYSA-N 1 2 326.360 3.102 20 5 EGBDLO CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])c(OC)c2)c[nH+]1 ZINC000360964450 308895966 /nfs/dbraw/zinc/89/59/66/308895966.db2.gz RTXKAAZDBQTMMA-UHFFFAOYSA-N 1 2 330.388 3.457 20 5 EGBDLO CC[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](CC)O1 ZINC000420959248 309304457 /nfs/dbraw/zinc/30/44/57/309304457.db2.gz QDCWIVSTIONNDH-RRFJBIMHSA-N 1 2 349.431 3.120 20 5 EGBDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000421408473 309323401 /nfs/dbraw/zinc/32/34/01/309323401.db2.gz XZXKIOLPMCOKNM-UHFFFAOYSA-N 1 2 337.811 3.446 20 5 EGBDLO COc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000430037334 309595275 /nfs/dbraw/zinc/59/52/75/309595275.db2.gz SIOSSOFHBQFLHZ-UHFFFAOYSA-N 1 2 344.264 3.450 20 5 EGBDLO CC(C)CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448658524 310011156 /nfs/dbraw/zinc/01/11/56/310011156.db2.gz TYJQWXBVPJLZIM-UHFFFAOYSA-N 1 2 342.399 3.431 20 5 EGBDLO CC(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449952488 310095725 /nfs/dbraw/zinc/09/57/25/310095725.db2.gz OCHNIXNQLOOZEQ-UHFFFAOYSA-N 1 2 342.399 3.289 20 5 EGBDLO CC(C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000449975327 310097089 /nfs/dbraw/zinc/09/70/89/310097089.db2.gz QVWDZCNJBWSAAO-UHFFFAOYSA-N 1 2 328.372 3.184 20 5 EGBDLO CC[C@H](C)CN(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450047503 310100467 /nfs/dbraw/zinc/10/04/67/310100467.db2.gz VNKPJICNDOJYRI-ZDUSSCGKSA-N 1 2 330.388 3.289 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450394787 310120051 /nfs/dbraw/zinc/12/00/51/310120051.db2.gz QJDFOEDLUHEMCH-UHFFFAOYSA-N 1 2 343.412 3.441 20 5 EGBDLO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000450829752 310144659 /nfs/dbraw/zinc/14/46/59/310144659.db2.gz NCENPNDISDUTOE-OIBJUYFYSA-N 1 2 338.165 3.067 20 5 EGBDLO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451101264 310160741 /nfs/dbraw/zinc/16/07/41/310160741.db2.gz BPVHKEUYJHONOI-NSHDSACASA-N 1 2 327.388 3.249 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488742010 311077955 /nfs/dbraw/zinc/07/79/55/311077955.db2.gz CYUCXJHWAFWFAW-UHFFFAOYSA-N 1 2 348.790 3.082 20 5 EGBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000505564108 312026218 /nfs/dbraw/zinc/02/62/18/312026218.db2.gz KZCZLXTYFBJNJJ-CYBMUJFWSA-N 1 2 346.358 3.396 20 5 EGBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000505564108 312026221 /nfs/dbraw/zinc/02/62/21/312026221.db2.gz KZCZLXTYFBJNJJ-CYBMUJFWSA-N 1 2 346.358 3.396 20 5 EGBDLO CN(C)c1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000507169252 312061211 /nfs/dbraw/zinc/06/12/11/312061211.db2.gz VFJNKAJEGSSIAB-UHFFFAOYSA-N 1 2 332.429 3.282 20 5 EGBDLO CN(C)c1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000507169252 312061213 /nfs/dbraw/zinc/06/12/13/312061213.db2.gz VFJNKAJEGSSIAB-UHFFFAOYSA-N 1 2 332.429 3.282 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000538653011 314260807 /nfs/dbraw/zinc/26/08/07/314260807.db2.gz SYFNBGRUQNDFTA-UHFFFAOYSA-N 1 2 336.351 3.223 20 5 EGBDLO Cc1c(Cc2noc(Cc3cn4ccccc4[nH+]3)n2)cccc1[N+](=O)[O-] ZINC000546492681 314830044 /nfs/dbraw/zinc/83/00/44/314830044.db2.gz ADLQTRSJAJPILU-UHFFFAOYSA-N 1 2 349.350 3.116 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)nc1-c1ccc(F)cc1 ZINC000555476916 315385930 /nfs/dbraw/zinc/38/59/30/315385930.db2.gz FCLJZWDTUSBOTE-UHFFFAOYSA-N 1 2 339.330 3.054 20 5 EGBDLO O=[N+]([O-])c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000421184052 324313028 /nfs/dbraw/zinc/31/30/28/324313028.db2.gz OMZDUAMPJCJLPY-UHFFFAOYSA-N 1 2 346.358 3.145 20 5 EGBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006999827 453016412 /nfs/dbraw/zinc/01/64/12/453016412.db2.gz BSJFJNDTWMVSMI-INIZCTEOSA-N 1 2 325.372 3.147 20 5 EGBDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006999827 453016421 /nfs/dbraw/zinc/01/64/21/453016421.db2.gz BSJFJNDTWMVSMI-INIZCTEOSA-N 1 2 325.372 3.147 20 5 EGBDLO CC[N@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009920059 453265486 /nfs/dbraw/zinc/26/54/86/453265486.db2.gz OIXXYHBFFJHTLV-UHFFFAOYSA-N 1 2 327.384 3.241 20 5 EGBDLO CC[N@@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009920059 453265495 /nfs/dbraw/zinc/26/54/95/453265495.db2.gz OIXXYHBFFJHTLV-UHFFFAOYSA-N 1 2 327.384 3.241 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc1 ZINC000023717657 453716114 /nfs/dbraw/zinc/71/61/14/453716114.db2.gz TVPVXXZSVFNBQH-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1F ZINC000024586142 453739359 /nfs/dbraw/zinc/73/93/59/453739359.db2.gz YQOWBUGUCIFZKE-OAHLLOKOSA-N 1 2 327.319 3.064 20 5 EGBDLO CC(C)N(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026345981 453797740 /nfs/dbraw/zinc/79/77/40/453797740.db2.gz GHQWZVQOIFFHIM-UHFFFAOYSA-N 1 2 341.411 3.468 20 5 EGBDLO CC(C)N(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026345981 453797741 /nfs/dbraw/zinc/79/77/41/453797741.db2.gz GHQWZVQOIFFHIM-UHFFFAOYSA-N 1 2 341.411 3.468 20 5 EGBDLO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000026371064 453798440 /nfs/dbraw/zinc/79/84/40/453798440.db2.gz BJZAKCIFQOSVNU-NSHDSACASA-N 1 2 342.380 3.362 20 5 EGBDLO O=[N+]([O-])c1ccccc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000029844881 453832085 /nfs/dbraw/zinc/83/20/85/453832085.db2.gz NSXOFRCFTPKMDM-QGZVFWFLSA-N 1 2 327.384 3.080 20 5 EGBDLO C[C@@H](N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000032162182 453865490 /nfs/dbraw/zinc/86/54/90/453865490.db2.gz NZYCZROZWJAYIY-GFCCVEGCSA-N 1 2 330.388 3.287 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075959523 453942660 /nfs/dbraw/zinc/94/26/60/453942660.db2.gz PKERGCSUCWQDGU-SNVBAGLBSA-N 1 2 349.778 3.383 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000076119536 453967211 /nfs/dbraw/zinc/96/72/11/453967211.db2.gz UJDCFKDQDRLLAE-KRWDZBQOSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000076119536 453967212 /nfs/dbraw/zinc/96/72/12/453967212.db2.gz UJDCFKDQDRLLAE-KRWDZBQOSA-N 1 2 328.368 3.047 20 5 EGBDLO Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000068350175 454019473 /nfs/dbraw/zinc/01/94/73/454019473.db2.gz KNKUWIRZAVSMSW-JTQLQIEISA-N 1 2 335.747 3.358 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068523526 454033165 /nfs/dbraw/zinc/03/31/65/454033165.db2.gz FYDQYRLLGBHCPP-UHFFFAOYSA-N 1 2 340.383 3.041 20 5 EGBDLO C[C@H](c1ccco1)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086233328 454044370 /nfs/dbraw/zinc/04/43/70/454044370.db2.gz PTWLOCROAWSYIA-GFCCVEGCSA-N 1 2 329.356 3.352 20 5 EGBDLO C[C@H](c1ccco1)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086233328 454044373 /nfs/dbraw/zinc/04/43/73/454044373.db2.gz PTWLOCROAWSYIA-GFCCVEGCSA-N 1 2 329.356 3.352 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000057127396 454104363 /nfs/dbraw/zinc/10/43/63/454104363.db2.gz JCTFDRPWPXLSJC-HNNXBMFYSA-N 1 2 345.374 3.047 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000057127396 454104364 /nfs/dbraw/zinc/10/43/64/454104364.db2.gz JCTFDRPWPXLSJC-HNNXBMFYSA-N 1 2 345.374 3.047 20 5 EGBDLO O=[N+]([O-])c1sccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000600874870 460626729 /nfs/dbraw/zinc/62/67/29/460626729.db2.gz DZXIENUCRLIWAV-QPJJXVBHSA-N 1 2 329.425 3.492 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000095467278 454218972 /nfs/dbraw/zinc/21/89/72/454218972.db2.gz IZVXYYXOVOKXCD-GFCCVEGCSA-N 1 2 335.751 3.340 20 5 EGBDLO Cc1c(CC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cccc1[N+](=O)[O-] ZINC000120195586 454271450 /nfs/dbraw/zinc/27/14/50/454271450.db2.gz AFFNVINGNSTSTA-UHFFFAOYSA-N 1 2 336.351 3.475 20 5 EGBDLO Cc1cnc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000078632077 454289964 /nfs/dbraw/zinc/28/99/64/454289964.db2.gz SAPWQBYLZBYCDA-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO CN1CC[C@@H](Sc2nc3ccccc3c3[nH+]c4ccccc4n32)C1=O ZINC000078756732 454313928 /nfs/dbraw/zinc/31/39/28/454313928.db2.gz PXSLRZRWPKDJJO-MRXNPFEDSA-N 1 2 348.431 3.359 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000063446693 454414124 /nfs/dbraw/zinc/41/41/24/454414124.db2.gz PELYIUPWGNFLBB-UHFFFAOYSA-N 1 2 328.303 3.031 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000091902189 454487867 /nfs/dbraw/zinc/48/78/67/454487867.db2.gz PBQHJUZUTAJDLC-QGZVFWFLSA-N 1 2 342.395 3.134 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000091902189 454487873 /nfs/dbraw/zinc/48/78/73/454487873.db2.gz PBQHJUZUTAJDLC-QGZVFWFLSA-N 1 2 342.395 3.134 20 5 EGBDLO Cc1ccc2c(c1)N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000122008708 454503941 /nfs/dbraw/zinc/50/39/41/454503941.db2.gz FRTYYVQUEKPFHW-UHFFFAOYSA-N 1 2 348.362 3.292 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000080573866 454601496 /nfs/dbraw/zinc/60/14/96/454601496.db2.gz HTKIWGYIZOCUPE-AWEZNQCLSA-N 1 2 342.399 3.135 20 5 EGBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCOCC2)o1 ZINC000051500660 454627628 /nfs/dbraw/zinc/62/76/28/454627628.db2.gz BDVUQHDVDAVQLT-QGZVFWFLSA-N 1 2 345.399 3.290 20 5 EGBDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225348 454648651 /nfs/dbraw/zinc/64/86/51/454648651.db2.gz XPVGVJJRNNSMBV-GJZGRUSLSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225348 454648658 /nfs/dbraw/zinc/64/86/58/454648658.db2.gz XPVGVJJRNNSMBV-GJZGRUSLSA-N 1 2 345.443 3.349 20 5 EGBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000093012533 454671676 /nfs/dbraw/zinc/67/16/76/454671676.db2.gz GZOMLFXVXKZELC-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000093012533 454671681 /nfs/dbraw/zinc/67/16/81/454671681.db2.gz GZOMLFXVXKZELC-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093102260 454683323 /nfs/dbraw/zinc/68/33/23/454683323.db2.gz OANCHZAOHFDFEM-CYBMUJFWSA-N 1 2 330.384 3.372 20 5 EGBDLO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093102260 454683327 /nfs/dbraw/zinc/68/33/27/454683327.db2.gz OANCHZAOHFDFEM-CYBMUJFWSA-N 1 2 330.384 3.372 20 5 EGBDLO C[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000106537460 454699970 /nfs/dbraw/zinc/69/99/70/454699970.db2.gz LEFYEMOVESQNLY-IUODEOHRSA-N 1 2 343.387 3.316 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000163031510 454818489 /nfs/dbraw/zinc/81/84/89/454818489.db2.gz PIHKSJJRCKLSCV-WBMJQRKESA-N 1 2 343.387 3.215 20 5 EGBDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178724967 454970277 /nfs/dbraw/zinc/97/02/77/454970277.db2.gz VFSXVAUPXIRFHX-GFCCVEGCSA-N 1 2 331.372 3.264 20 5 EGBDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178724967 454970280 /nfs/dbraw/zinc/97/02/80/454970280.db2.gz VFSXVAUPXIRFHX-GFCCVEGCSA-N 1 2 331.372 3.264 20 5 EGBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000127543680 454975516 /nfs/dbraw/zinc/97/55/16/454975516.db2.gz GBARJFNRHDEQOP-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000127543680 454975521 /nfs/dbraw/zinc/97/55/21/454975521.db2.gz GBARJFNRHDEQOP-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000128031763 455019894 /nfs/dbraw/zinc/01/98/94/455019894.db2.gz DPXZTBJDAODDEV-LBPRGKRZSA-N 1 2 329.356 3.049 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000128031763 455019898 /nfs/dbraw/zinc/01/98/98/455019898.db2.gz DPXZTBJDAODDEV-LBPRGKRZSA-N 1 2 329.356 3.049 20 5 EGBDLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000182888056 455185137 /nfs/dbraw/zinc/18/51/37/455185137.db2.gz UPQYTYZQMUKWGE-QGZVFWFLSA-N 1 2 342.399 3.390 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000157533414 455204855 /nfs/dbraw/zinc/20/48/55/455204855.db2.gz WDBMGZUIXDVUEQ-CYBMUJFWSA-N 1 2 329.404 3.072 20 5 EGBDLO CC[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000173495986 455294154 /nfs/dbraw/zinc/29/41/54/455294154.db2.gz SZMZWYBPADATJZ-MRXNPFEDSA-N 1 2 348.428 3.213 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)c3ccccc3)co2)cc1 ZINC000183627570 455314445 /nfs/dbraw/zinc/31/44/45/455314445.db2.gz GOQPQWXZFLCOHE-QGZVFWFLSA-N 1 2 339.351 3.073 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccncc1 ZINC000267963305 455571781 /nfs/dbraw/zinc/57/17/81/455571781.db2.gz YLULTZKRJCUGBH-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccncc1 ZINC000267963305 455571784 /nfs/dbraw/zinc/57/17/84/455571784.db2.gz YLULTZKRJCUGBH-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000277725677 455646313 /nfs/dbraw/zinc/64/63/13/455646313.db2.gz STLQJWUHSUFCJZ-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000277725677 455646316 /nfs/dbraw/zinc/64/63/16/455646316.db2.gz STLQJWUHSUFCJZ-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H](c1ccco1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000248109925 455681376 /nfs/dbraw/zinc/68/13/76/455681376.db2.gz JWECTSCRONELSD-GFCCVEGCSA-N 1 2 340.339 3.207 20 5 EGBDLO Cc1nc(NCc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268524978 455707933 /nfs/dbraw/zinc/70/79/33/455707933.db2.gz VYHGKQOTFQPVCW-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(O)(c3ccccc3)CC2)c(F)c1 ZINC000285576704 455873495 /nfs/dbraw/zinc/87/34/95/455873495.db2.gz KAUZOPLFHREXSE-UHFFFAOYSA-N 1 2 348.349 3.357 20 5 EGBDLO Cc1cc(N[C@H](C)[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270107784 455879228 /nfs/dbraw/zinc/87/92/28/455879228.db2.gz CWRZCJKFNJWCSR-OCCSQVGLSA-N 1 2 328.372 3.197 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000612692034 460702666 /nfs/dbraw/zinc/70/26/66/460702666.db2.gz IBDVCRKCZICGFM-UHFFFAOYSA-N 1 2 340.383 3.170 20 5 EGBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672403 456011748 /nfs/dbraw/zinc/01/17/48/456011748.db2.gz XKXAXICKJXKUBN-IUODEOHRSA-N 1 2 331.372 3.249 20 5 EGBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672403 456011753 /nfs/dbraw/zinc/01/17/53/456011753.db2.gz XKXAXICKJXKUBN-IUODEOHRSA-N 1 2 331.372 3.249 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(C1)CCCCC2 ZINC000272706692 456046752 /nfs/dbraw/zinc/04/67/52/456046752.db2.gz CQKXYGYIJZEQMP-UHFFFAOYSA-N 1 2 340.383 3.187 20 5 EGBDLO C[C@H]1CCCN(c2cc(NCc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000301274764 456077962 /nfs/dbraw/zinc/07/79/62/456077962.db2.gz WFPOVKYJGNNWBF-ZDUSSCGKSA-N 1 2 327.388 3.233 20 5 EGBDLO C[C@H]1CCCN(c2cc(NCc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000301274764 456077965 /nfs/dbraw/zinc/07/79/65/456077965.db2.gz WFPOVKYJGNNWBF-ZDUSSCGKSA-N 1 2 327.388 3.233 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000301415050 456109901 /nfs/dbraw/zinc/10/99/01/456109901.db2.gz BSRXXMLHNFZZNG-UHFFFAOYSA-N 1 2 325.372 3.459 20 5 EGBDLO Cc1cc(NCC(C)(C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301448638 456119611 /nfs/dbraw/zinc/11/96/11/456119611.db2.gz RLRYLXKVBIEMAY-UHFFFAOYSA-N 1 2 327.812 3.079 20 5 EGBDLO C[N@@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C(C)(C)C1 ZINC000275958761 456358551 /nfs/dbraw/zinc/35/85/51/456358551.db2.gz LWKPHKAYWBCOOE-UHFFFAOYSA-N 1 2 349.434 3.260 20 5 EGBDLO C[N@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C(C)(C)C1 ZINC000275958761 456358554 /nfs/dbraw/zinc/35/85/54/456358554.db2.gz LWKPHKAYWBCOOE-UHFFFAOYSA-N 1 2 349.434 3.260 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccncc2OCC(F)(F)F)cs1 ZINC000282337915 456481342 /nfs/dbraw/zinc/48/13/42/456481342.db2.gz UUTNJMOXQHGGCQ-UHFFFAOYSA-N 1 2 347.318 3.282 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000298759038 456533357 /nfs/dbraw/zinc/53/33/57/456533357.db2.gz JUEWPHAJEZCAIF-CQSZACIVSA-N 1 2 348.790 3.352 20 5 EGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000298759038 456533363 /nfs/dbraw/zinc/53/33/63/456533363.db2.gz JUEWPHAJEZCAIF-CQSZACIVSA-N 1 2 348.790 3.352 20 5 EGBDLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340573523 456537735 /nfs/dbraw/zinc/53/77/35/456537735.db2.gz MJLMQBJOBPHWMV-UHFFFAOYSA-N 1 2 348.362 3.043 20 5 EGBDLO CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276648216 456541067 /nfs/dbraw/zinc/54/10/67/456541067.db2.gz RRNBYERWYGOZBD-BXUZGUMPSA-N 1 2 348.428 3.312 20 5 EGBDLO CC(C)[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276669607 456547112 /nfs/dbraw/zinc/54/71/12/456547112.db2.gz NNUOZMXITDYBJX-MRXNPFEDSA-N 1 2 345.403 3.024 20 5 EGBDLO CC(C)[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1[nH]cc[nH+]1 ZINC000283058852 456700821 /nfs/dbraw/zinc/70/08/21/456700821.db2.gz QTFVPUFRCHAVJA-CQSZACIVSA-N 1 2 328.328 3.191 20 5 EGBDLO CC[C@]1(C)COCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340898951 456747655 /nfs/dbraw/zinc/74/76/55/456747655.db2.gz HVHJOJYDJFUDHN-QGZVFWFLSA-N 1 2 331.372 3.251 20 5 EGBDLO CC[C@]1(C)COCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340898951 456747659 /nfs/dbraw/zinc/74/76/59/456747659.db2.gz HVHJOJYDJFUDHN-QGZVFWFLSA-N 1 2 331.372 3.251 20 5 EGBDLO COc1cc(C[NH2+]C(C)(C)c2c(C)noc2C)c([N+](=O)[O-])cc1F ZINC000353552603 456755016 /nfs/dbraw/zinc/75/50/16/456755016.db2.gz ZHAJVPQXNXRUJV-UHFFFAOYSA-N 1 2 337.351 3.372 20 5 EGBDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000353645110 456824877 /nfs/dbraw/zinc/82/48/77/456824877.db2.gz RJQBZTOFLVBQKS-NFAWXSAZSA-N 1 2 342.399 3.335 20 5 EGBDLO C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000344801573 456860553 /nfs/dbraw/zinc/86/05/53/456860553.db2.gz WUOIPPWRUHHSPI-KBXCAEBGSA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000344801573 456860557 /nfs/dbraw/zinc/86/05/57/456860557.db2.gz WUOIPPWRUHHSPI-KBXCAEBGSA-N 1 2 339.395 3.047 20 5 EGBDLO CC(C)c1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341717033 456911735 /nfs/dbraw/zinc/91/17/35/456911735.db2.gz IDHMJTKACYIMNK-INIZCTEOSA-N 1 2 342.399 3.333 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000339215333 456996057 /nfs/dbraw/zinc/99/60/57/456996057.db2.gz UYZKPVHMBVWESD-HWPZZCPQSA-N 1 2 334.397 3.154 20 5 EGBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331983811 457283350 /nfs/dbraw/zinc/28/33/50/457283350.db2.gz LOSYCQXGXPMKRV-UVBJJODRSA-N 1 2 336.363 3.040 20 5 EGBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331983811 457283354 /nfs/dbraw/zinc/28/33/54/457283354.db2.gz LOSYCQXGXPMKRV-UVBJJODRSA-N 1 2 336.363 3.040 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000332041206 457293269 /nfs/dbraw/zinc/29/32/69/457293269.db2.gz XDULSOQJVVRTGB-UHFFFAOYSA-N 1 2 328.416 3.184 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000332041206 457293275 /nfs/dbraw/zinc/29/32/75/457293275.db2.gz XDULSOQJVVRTGB-UHFFFAOYSA-N 1 2 328.416 3.184 20 5 EGBDLO Cc1cnc(N2CC[NH+](Cc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000360786586 457351650 /nfs/dbraw/zinc/35/16/50/457351650.db2.gz JQZAADQRYLOQOD-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000352671853 457518352 /nfs/dbraw/zinc/51/83/52/457518352.db2.gz PYLOHVXHOJEYMP-SFHVURJKSA-N 1 2 342.395 3.482 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000352671853 457518356 /nfs/dbraw/zinc/51/83/56/457518356.db2.gz PYLOHVXHOJEYMP-SFHVURJKSA-N 1 2 342.395 3.482 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)c(OC(F)F)c1 ZINC000357435040 457523684 /nfs/dbraw/zinc/52/36/84/457523684.db2.gz HXDJUMMBJARRKV-UHFFFAOYSA-N 1 2 334.282 3.456 20 5 EGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361268348 457673331 /nfs/dbraw/zinc/67/33/31/457673331.db2.gz VLCMVAFGEREQJU-UHFFFAOYSA-N 1 2 344.371 3.021 20 5 EGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361268348 457673333 /nfs/dbraw/zinc/67/33/33/457673333.db2.gz VLCMVAFGEREQJU-UHFFFAOYSA-N 1 2 344.371 3.021 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000427115190 457945432 /nfs/dbraw/zinc/94/54/32/457945432.db2.gz ACFXMVBIIFLFKT-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO CC1(C)Cc2ccsc2C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459584750 458418923 /nfs/dbraw/zinc/41/89/23/458418923.db2.gz RBMIYTUGCGYBMG-UHFFFAOYSA-N 1 2 345.424 3.432 20 5 EGBDLO CC1(C)Cc2ccsc2C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459584750 458418925 /nfs/dbraw/zinc/41/89/25/458418925.db2.gz RBMIYTUGCGYBMG-UHFFFAOYSA-N 1 2 345.424 3.432 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000377869244 458558438 /nfs/dbraw/zinc/55/84/38/458558438.db2.gz OJZHXZCJTYIKIL-NSHDSACASA-N 1 2 349.778 3.314 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000373752739 458592343 /nfs/dbraw/zinc/59/23/43/458592343.db2.gz YPSFSPKXGWNBAV-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000373752739 458592350 /nfs/dbraw/zinc/59/23/50/458592350.db2.gz YPSFSPKXGWNBAV-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO Cc1c(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000373782491 458602729 /nfs/dbraw/zinc/60/27/29/458602729.db2.gz ZDQSZIVMRRAOCR-UHFFFAOYSA-N 1 2 343.387 3.100 20 5 EGBDLO Cc1[nH+]c2cc(CNc3ncc([N+](=O)[O-])cc3C)ccc2n1C1CC1 ZINC000594584497 459097975 /nfs/dbraw/zinc/09/79/75/459097975.db2.gz IMDPLKTWOXMEMN-UHFFFAOYSA-N 1 2 337.383 3.325 20 5 EGBDLO Cc1noc(C[NH+]2CCC(Oc3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000595322389 459276511 /nfs/dbraw/zinc/27/65/11/459276511.db2.gz XTNRWADPOLAZDX-UHFFFAOYSA-N 1 2 331.372 3.243 20 5 EGBDLO CCCC(=O)NC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591139800 459320689 /nfs/dbraw/zinc/32/06/89/459320689.db2.gz BRFWQHGYMRJDNF-UHFFFAOYSA-N 1 2 342.399 3.028 20 5 EGBDLO Cc1noc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595550644 459344716 /nfs/dbraw/zinc/34/47/16/459344716.db2.gz WWMXXSICPBDGJK-KRWDZBQOSA-N 1 2 343.383 3.245 20 5 EGBDLO Cc1noc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595550644 459344721 /nfs/dbraw/zinc/34/47/21/459344721.db2.gz WWMXXSICPBDGJK-KRWDZBQOSA-N 1 2 343.383 3.245 20 5 EGBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](Cc2cccs2)CC1 ZINC000596058716 459503914 /nfs/dbraw/zinc/50/39/14/459503914.db2.gz IGESLTXKQCAYHS-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1NCc1ccc[nH+]c1N1CCCC1)CCN2 ZINC000596355496 459606552 /nfs/dbraw/zinc/60/65/52/459606552.db2.gz BRMCOXGQWLDBEF-UHFFFAOYSA-N 1 2 339.399 3.170 20 5 EGBDLO C[C@H]1C[N@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434039 459634809 /nfs/dbraw/zinc/63/48/09/459634809.db2.gz WTYGAHSSKPJZAJ-QWRGUYRKSA-N 1 2 329.347 3.054 20 5 EGBDLO C[C@H]1C[N@@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434039 459634813 /nfs/dbraw/zinc/63/48/13/459634813.db2.gz WTYGAHSSKPJZAJ-QWRGUYRKSA-N 1 2 329.347 3.054 20 5 EGBDLO Cc1cccn2cc(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[nH+]c12 ZINC000544931608 459792398 /nfs/dbraw/zinc/79/23/98/459792398.db2.gz LHEMOUBYZBUUFC-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO Cc1nccc([C@@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000586760943 459865783 /nfs/dbraw/zinc/86/57/83/459865783.db2.gz XJXWKORDWBTFPC-GFCCVEGCSA-N 1 2 348.353 3.351 20 5 EGBDLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000586760943 459865787 /nfs/dbraw/zinc/86/57/87/459865787.db2.gz XJXWKORDWBTFPC-GFCCVEGCSA-N 1 2 348.353 3.351 20 5 EGBDLO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000608866916 459890913 /nfs/dbraw/zinc/89/09/13/459890913.db2.gz BGSXYJWJBXYRBL-OAHLLOKOSA-N 1 2 329.404 3.154 20 5 EGBDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609143994 459910980 /nfs/dbraw/zinc/91/09/80/459910980.db2.gz BSGSVNYUWSMDAN-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609143994 459910988 /nfs/dbraw/zinc/91/09/88/459910988.db2.gz BSGSVNYUWSMDAN-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000609313893 459941637 /nfs/dbraw/zinc/94/16/37/459941637.db2.gz LTOHNGDSHMBHHM-UHFFFAOYSA-N 1 2 326.352 3.206 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000609313893 459941644 /nfs/dbraw/zinc/94/16/44/459941644.db2.gz LTOHNGDSHMBHHM-UHFFFAOYSA-N 1 2 326.352 3.206 20 5 EGBDLO CCc1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)on1 ZINC000602500983 459971629 /nfs/dbraw/zinc/97/16/29/459971629.db2.gz RYGUNQDAOCBTCU-UHFFFAOYSA-N 1 2 346.206 3.259 20 5 EGBDLO Cc1cccc(C[NH+]2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)c1 ZINC000589103928 460029628 /nfs/dbraw/zinc/02/96/28/460029628.db2.gz OKWWRJUREGJXIF-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO C[C@@]1(O)CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602650933 460043589 /nfs/dbraw/zinc/04/35/89/460043589.db2.gz TWXUIPSLKMDYSL-GFCCVEGCSA-N 1 2 349.250 3.156 20 5 EGBDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602650933 460043594 /nfs/dbraw/zinc/04/35/94/460043594.db2.gz TWXUIPSLKMDYSL-GFCCVEGCSA-N 1 2 349.250 3.156 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccnc1)OCCO2 ZINC000589192657 460049192 /nfs/dbraw/zinc/04/91/92/460049192.db2.gz RPRARYJJKFYFHO-HNNXBMFYSA-N 1 2 341.367 3.098 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccnc1)OCCO2 ZINC000589192657 460049213 /nfs/dbraw/zinc/04/92/13/460049213.db2.gz RPRARYJJKFYFHO-HNNXBMFYSA-N 1 2 341.367 3.098 20 5 EGBDLO Cc1cc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH]n1 ZINC000610010057 460050922 /nfs/dbraw/zinc/05/09/22/460050922.db2.gz RZSOYEUOMCWVMM-UHFFFAOYSA-N 1 2 329.385 3.040 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOc4ccccc4C3)nc2c1 ZINC000610581231 460188529 /nfs/dbraw/zinc/18/85/29/460188529.db2.gz OOPMDBYMABBMIM-UHFFFAOYSA-N 1 2 325.324 3.131 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOc4ccccc4C3)nc2c1 ZINC000610581231 460188531 /nfs/dbraw/zinc/18/85/31/460188531.db2.gz OOPMDBYMABBMIM-UHFFFAOYSA-N 1 2 325.324 3.131 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3sccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000611411587 460359367 /nfs/dbraw/zinc/35/93/67/460359367.db2.gz MVRUNSWTXCDFMF-GHMZBOCLSA-N 1 2 334.401 3.409 20 5 EGBDLO C[C@H]([C@H](C)Nc1ccc(C(F)F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000596115243 548108549 /nfs/dbraw/zinc/10/85/49/548108549.db2.gz RRMVXMYEUYGWAH-WDEREUQCSA-N 1 2 329.347 3.054 20 5 EGBDLO Cc1cccn2cc(COC(=O)c3cc([N+](=O)[O-])ccc3C)[nH+]c12 ZINC000728332230 574739788 /nfs/dbraw/zinc/73/97/88/574739788.db2.gz HPOXIYLRFMXCOU-UHFFFAOYSA-N 1 2 325.324 3.216 20 5 EGBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000729338105 574843839 /nfs/dbraw/zinc/84/38/39/574843839.db2.gz PNWYAGZVWOVFIN-FSNWXROXSA-N 1 2 342.399 3.036 20 5 EGBDLO Cc1c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000731669284 575195336 /nfs/dbraw/zinc/19/53/36/575195336.db2.gz DZOZPMKQHIRRBV-CYBMUJFWSA-N 1 2 349.431 3.344 20 5 EGBDLO Cc1c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000731669284 575195337 /nfs/dbraw/zinc/19/53/37/575195337.db2.gz DZOZPMKQHIRRBV-CYBMUJFWSA-N 1 2 349.431 3.344 20 5 EGBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000731668957 575195438 /nfs/dbraw/zinc/19/54/38/575195438.db2.gz LDMOCLJUDMPWAF-CYBMUJFWSA-N 1 2 335.404 3.036 20 5 EGBDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000731668957 575195439 /nfs/dbraw/zinc/19/54/39/575195439.db2.gz LDMOCLJUDMPWAF-CYBMUJFWSA-N 1 2 335.404 3.036 20 5 EGBDLO O=C(C[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732206451 575244448 /nfs/dbraw/zinc/24/44/48/575244448.db2.gz ZSZKJQDFFLWESN-LLVKDONJSA-N 1 2 349.774 3.269 20 5 EGBDLO O=C(C[N@H+]1CC[C@@H](c2ccco2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732206451 575244451 /nfs/dbraw/zinc/24/44/51/575244451.db2.gz ZSZKJQDFFLWESN-LLVKDONJSA-N 1 2 349.774 3.269 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742148847 576751921 /nfs/dbraw/zinc/75/19/21/576751921.db2.gz XJNWOABGAIJONY-UHFFFAOYSA-N 1 2 343.309 3.085 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742148847 576751922 /nfs/dbraw/zinc/75/19/22/576751922.db2.gz XJNWOABGAIJONY-UHFFFAOYSA-N 1 2 343.309 3.085 20 5 EGBDLO Cc1[nH+]c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000742945644 576798122 /nfs/dbraw/zinc/79/81/22/576798122.db2.gz KGYHHVQLMFSGCU-BJMVGYQFSA-N 1 2 336.351 3.442 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2cc(C)ccc2[N+](=O)[O-])c1C ZINC000745392625 576847333 /nfs/dbraw/zinc/84/73/33/576847333.db2.gz ZWKYDRSFQMYEDO-UHFFFAOYSA-N 1 2 330.340 3.281 20 5 EGBDLO COc1ccc(OC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000123876077 1293458461 /nfs/dbraw/zinc/45/84/61/1293458461.db2.gz VVNONTLROXDETP-MRXNPFEDSA-N 1 2 336.388 3.019 20 5 EGBDLO CC[C@@H](C)C[N@H+](CC)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000174943019 1294532265 /nfs/dbraw/zinc/53/22/65/1294532265.db2.gz QAGDCBZTFMFEHG-CQSZACIVSA-N 1 2 344.415 3.144 20 5 EGBDLO CC[C@@H](C)C[N@@H+](CC)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000174943019 1294532270 /nfs/dbraw/zinc/53/22/70/1294532270.db2.gz QAGDCBZTFMFEHG-CQSZACIVSA-N 1 2 344.415 3.144 20 5 EGBDLO C[C@@H]1CN(c2ccc([NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2)CCO1 ZINC000876866089 1299042233 /nfs/dbraw/zinc/04/22/33/1299042233.db2.gz NTGOWJNBEDXYLC-OAHLLOKOSA-N 1 2 341.411 3.475 20 5 EGBDLO C[N@H+](CC(F)F)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000749321958 1299192194 /nfs/dbraw/zinc/19/21/94/1299192194.db2.gz SUJHVSDHFCPWJU-UHFFFAOYSA-N 1 2 335.301 3.039 20 5 EGBDLO C[N@@H+](CC(F)F)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000749321958 1299192201 /nfs/dbraw/zinc/19/22/01/1299192201.db2.gz SUJHVSDHFCPWJU-UHFFFAOYSA-N 1 2 335.301 3.039 20 5 EGBDLO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccc2[nH+]ccn21 ZINC000770074928 1303217446 /nfs/dbraw/zinc/21/74/46/1303217446.db2.gz LKGYDHDRCWUCRF-UHFFFAOYSA-N 1 2 348.265 3.096 20 5 EGBDLO CC1(C)C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCCO1 ZINC000774638313 1303838720 /nfs/dbraw/zinc/83/87/20/1303838720.db2.gz QWQKKIKOPWVTFV-UHFFFAOYSA-N 1 2 338.795 3.056 20 5 EGBDLO CC1(C)C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCCO1 ZINC000774638313 1303838724 /nfs/dbraw/zinc/83/87/24/1303838724.db2.gz QWQKKIKOPWVTFV-UHFFFAOYSA-N 1 2 338.795 3.056 20 5 EGBDLO Cc1nn(C[NH+]2CCC(Cc3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000779860638 1304616201 /nfs/dbraw/zinc/61/62/01/1304616201.db2.gz FERCBGZQHUUWEW-UHFFFAOYSA-N 1 2 332.379 3.151 20 5 EGBDLO CC(C)COC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000789576369 1306187049 /nfs/dbraw/zinc/18/70/49/1306187049.db2.gz GVAPXGZOUAVCMS-UXLLHSPISA-N 1 2 348.443 3.483 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894593478 1308968846 /nfs/dbraw/zinc/96/88/46/1308968846.db2.gz TUEHIMJRMHBNOA-LBPRGKRZSA-N 1 2 344.367 3.092 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894593478 1308968848 /nfs/dbraw/zinc/96/88/48/1308968848.db2.gz TUEHIMJRMHBNOA-LBPRGKRZSA-N 1 2 344.367 3.092 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H](CC(C)(C)C)CC1=O ZINC000795644791 1309797327 /nfs/dbraw/zinc/79/73/27/1309797327.db2.gz LCVFMFGKWHUKLK-HNNXBMFYSA-N 1 2 347.459 3.311 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H](CC(C)(C)C)CC1=O ZINC000795644791 1309797338 /nfs/dbraw/zinc/79/73/38/1309797338.db2.gz LCVFMFGKWHUKLK-HNNXBMFYSA-N 1 2 347.459 3.311 20 5 EGBDLO CC1=C(Br)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000797527535 1310207784 /nfs/dbraw/zinc/20/77/84/1310207784.db2.gz BVGILFHGRMXKKK-UHFFFAOYSA-N 1 2 341.205 3.348 20 5 EGBDLO CC1=C(Br)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000797527535 1310207795 /nfs/dbraw/zinc/20/77/95/1310207795.db2.gz BVGILFHGRMXKKK-UHFFFAOYSA-N 1 2 341.205 3.348 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000798965429 1310465218 /nfs/dbraw/zinc/46/52/18/1310465218.db2.gz XKPKQHXBHGTGGR-NSHDSACASA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])CCCO1 ZINC000798965429 1310465222 /nfs/dbraw/zinc/46/52/22/1310465222.db2.gz XKPKQHXBHGTGGR-NSHDSACASA-N 1 2 343.221 3.358 20 5 EGBDLO CC(C)([NH2+]Cc1ncc(C2OCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000809640867 1317854853 /nfs/dbraw/zinc/85/48/53/1317854853.db2.gz OTQVQKADDLOLCZ-UHFFFAOYSA-N 1 2 349.412 3.122 20 5 EGBDLO Cc1nonc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000809745705 1317887405 /nfs/dbraw/zinc/88/74/05/1317887405.db2.gz ZSHVHHHVKUUTIJ-UHFFFAOYSA-N 1 2 330.369 3.305 20 5 EGBDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809954146 1317922982 /nfs/dbraw/zinc/92/29/82/1317922982.db2.gz VTRFGOXIMFZWEP-AWEZNQCLSA-N 1 2 347.198 3.287 20 5 EGBDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809954146 1317922987 /nfs/dbraw/zinc/92/29/87/1317922987.db2.gz VTRFGOXIMFZWEP-AWEZNQCLSA-N 1 2 347.198 3.287 20 5 EGBDLO Cc1cc(C)c(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813171958 1318509160 /nfs/dbraw/zinc/50/91/60/1318509160.db2.gz XWHPKRKIPZAHMR-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO Cc1cc(C)c(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000813171958 1318509166 /nfs/dbraw/zinc/50/91/66/1318509166.db2.gz XWHPKRKIPZAHMR-INIZCTEOSA-N 1 2 344.367 3.236 20 5 EGBDLO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281730 1319312255 /nfs/dbraw/zinc/31/22/55/1319312255.db2.gz OJDOPBXYVREKCN-VHSXEESVSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281730 1319312266 /nfs/dbraw/zinc/31/22/66/1319312266.db2.gz OJDOPBXYVREKCN-VHSXEESVSA-N 1 2 333.215 3.352 20 5 EGBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@](C)(O)c1ccccc1 ZINC000823606055 1320191706 /nfs/dbraw/zinc/19/17/06/1320191706.db2.gz QCEBPVJUTBSRBO-QGZVFWFLSA-N 1 2 336.338 3.213 20 5 EGBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@](C)(O)c1ccccc1 ZINC000823606055 1320191711 /nfs/dbraw/zinc/19/17/11/1320191711.db2.gz QCEBPVJUTBSRBO-QGZVFWFLSA-N 1 2 336.338 3.213 20 5 EGBDLO C[C@@H](CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)n1cc[nH+]c1 ZINC000844316035 1321588771 /nfs/dbraw/zinc/58/87/71/1321588771.db2.gz ZXSVCXDHTLYJTB-NSHDSACASA-N 1 2 336.779 3.054 20 5 EGBDLO CCn1cc(C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C(C)C)cn1 ZINC000844740699 1321642106 /nfs/dbraw/zinc/64/21/06/1321642106.db2.gz YTNQZZINJBQEDQ-UHFFFAOYSA-N 1 2 342.403 3.029 20 5 EGBDLO CCn1cc(C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C(C)C)cn1 ZINC000844740699 1321642111 /nfs/dbraw/zinc/64/21/11/1321642111.db2.gz YTNQZZINJBQEDQ-UHFFFAOYSA-N 1 2 342.403 3.029 20 5 EGBDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000852701256 1323227813 /nfs/dbraw/zinc/22/78/13/1323227813.db2.gz AUEVAOWNWHQWKE-XPTSAGLGSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000852701256 1323227823 /nfs/dbraw/zinc/22/78/23/1323227823.db2.gz AUEVAOWNWHQWKE-XPTSAGLGSA-N 1 2 333.215 3.352 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001327014038 1388364690 /nfs/dbraw/zinc/36/46/90/1388364690.db2.gz WXPCZWQRAUANFX-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC001327014038 1388364694 /nfs/dbraw/zinc/36/46/94/1388364694.db2.gz WXPCZWQRAUANFX-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]1CC(=O)C2 ZINC001226204305 1375219989 /nfs/dbraw/zinc/21/99/89/1375219989.db2.gz NBNUHFLFKRDSCM-DSBAHLMNSA-N 1 2 345.182 3.085 20 5 EGBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]1CC(=O)C2 ZINC001226204305 1375219992 /nfs/dbraw/zinc/21/99/92/1375219992.db2.gz NBNUHFLFKRDSCM-DSBAHLMNSA-N 1 2 345.182 3.085 20 5 EGBDLO CCN(CCn1cc[nH+]c1)c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001157462775 1380912589 /nfs/dbraw/zinc/91/25/89/1380912589.db2.gz ZMZSPXPLEAJJCT-UHFFFAOYSA-N 1 2 330.175 3.020 20 5 EGBDLO C[NH+](C)C=Cc1cc(NCCC(=O)c2ccccc2)ncc1[N+](=O)[O-] ZINC001159023693 1381515451 /nfs/dbraw/zinc/51/54/51/1381515451.db2.gz WFEXRBBJYCXRBB-PKNBQFBNSA-N 1 2 340.383 3.207 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@](C)(F)C2)c1F ZINC001173181947 1384932763 /nfs/dbraw/zinc/93/27/63/1384932763.db2.gz QVRKRRSXZYJPQO-MEDUHNTESA-N 1 2 328.359 3.498 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@@](C)(F)C2)c1F ZINC001173181947 1384932765 /nfs/dbraw/zinc/93/27/65/1384932765.db2.gz QVRKRRSXZYJPQO-MEDUHNTESA-N 1 2 328.359 3.498 20 5 EGBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC001332254885 1390065946 /nfs/dbraw/zinc/06/59/46/1390065946.db2.gz XJOQRDBZRMYXID-SUMWQHHRSA-N 1 2 337.383 3.427 20 5 EGBDLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC001340810472 1390374505 /nfs/dbraw/zinc/37/45/05/1390374505.db2.gz LXNGORSUNCUAHA-UHFFFAOYSA-N 1 2 329.356 3.068 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001343430669 1390713550 /nfs/dbraw/zinc/71/35/50/1390713550.db2.gz ACTLZDNEWMHKHL-VBKFSLOCSA-N 1 2 345.443 3.188 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000067544367 215159436 /nfs/dbraw/zinc/15/94/36/215159436.db2.gz OGMZQPMOMSPTDZ-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000069039625 215355579 /nfs/dbraw/zinc/35/55/79/215355579.db2.gz LWFRKNJSRJNHOM-MNOVXSKESA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000069039625 215355581 /nfs/dbraw/zinc/35/55/81/215355581.db2.gz LWFRKNJSRJNHOM-MNOVXSKESA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134146264 223476424 /nfs/dbraw/zinc/47/64/24/223476424.db2.gz MQJDCHVDVCYSCC-GUYCJALGSA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@@H](c1ccco1)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000086235387 296242865 /nfs/dbraw/zinc/24/28/65/296242865.db2.gz QBHHTSFLSQZIQX-NSHDSACASA-N 1 2 329.356 3.012 20 5 EGBDLO C[C@@H](c1ccco1)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000086235387 296242866 /nfs/dbraw/zinc/24/28/66/296242866.db2.gz QBHHTSFLSQZIQX-NSHDSACASA-N 1 2 329.356 3.012 20 5 EGBDLO Cc1cnc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000267420114 251041604 /nfs/dbraw/zinc/04/16/04/251041604.db2.gz KGEKICURVYVAAE-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO Cc1cc(N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000267582709 251168080 /nfs/dbraw/zinc/16/80/80/251168080.db2.gz ZLDVJXRUDOKPKI-UHFFFAOYSA-N 1 2 328.294 3.298 20 5 EGBDLO CO[C@H](C)c1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000175122982 533127475 /nfs/dbraw/zinc/12/74/75/533127475.db2.gz MVFOSTJDCJGXEA-GFCCVEGCSA-N 1 2 334.376 3.096 20 5 EGBDLO CO[C@H](C)c1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000175122982 533127478 /nfs/dbraw/zinc/12/74/78/533127478.db2.gz MVFOSTJDCJGXEA-GFCCVEGCSA-N 1 2 334.376 3.096 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cccnc1 ZINC000155037349 533315333 /nfs/dbraw/zinc/31/53/33/533315333.db2.gz PRHYUNNTDVTPFJ-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cccnc1 ZINC000155037349 533315343 /nfs/dbraw/zinc/31/53/43/533315343.db2.gz PRHYUNNTDVTPFJ-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181713507 533475108 /nfs/dbraw/zinc/47/51/08/533475108.db2.gz QRTSGNAEUZATMV-LLVKDONJSA-N 1 2 327.388 3.249 20 5 EGBDLO C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000353346820 141292115 /nfs/dbraw/zinc/29/21/15/141292115.db2.gz ICHWJDZXAITJIE-NSHDSACASA-N 1 2 325.328 3.125 20 5 EGBDLO O=[N+]([O-])c1ccccc1CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000351092963 144255131 /nfs/dbraw/zinc/25/51/31/144255131.db2.gz AACHEKOQOVUVDN-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000117619130 152107981 /nfs/dbraw/zinc/10/79/81/152107981.db2.gz MKIOLHZMGZNEFF-ZDUSSCGKSA-N 1 2 336.351 3.272 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCc4sccc4C3)n2)c1 ZINC000337469841 154368768 /nfs/dbraw/zinc/36/87/68/154368768.db2.gz OWSNUADYJXLBFN-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCc4sccc4C3)n2)c1 ZINC000337469841 154368773 /nfs/dbraw/zinc/36/87/73/154368773.db2.gz OWSNUADYJXLBFN-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000344189005 164123018 /nfs/dbraw/zinc/12/30/18/164123018.db2.gz QLKQHBAQUDMSAJ-HIFRSBDPSA-N 1 2 342.399 3.479 20 5 EGBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(-c2ccccc2)cs1 ZINC000348051506 164614150 /nfs/dbraw/zinc/61/41/50/164614150.db2.gz XDGBECPAAFHNLU-LLVKDONJSA-N 1 2 343.412 3.303 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000354911760 166061790 /nfs/dbraw/zinc/06/17/90/166061790.db2.gz YIIBRXDFGWJFBZ-UHFFFAOYSA-N 1 2 342.395 3.479 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000354911760 166061791 /nfs/dbraw/zinc/06/17/91/166061791.db2.gz YIIBRXDFGWJFBZ-UHFFFAOYSA-N 1 2 342.395 3.479 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000286278647 275974793 /nfs/dbraw/zinc/97/47/93/275974793.db2.gz WXJKPMHBGJHNTE-UHFFFAOYSA-N 1 2 340.383 3.405 20 5 EGBDLO CC(C)Oc1cc[nH+]cc1COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000287058579 276077400 /nfs/dbraw/zinc/07/74/00/276077400.db2.gz TWUPTCCBZRWJGV-UHFFFAOYSA-N 1 2 330.340 3.063 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1(F)F ZINC000289738793 276386125 /nfs/dbraw/zinc/38/61/25/276386125.db2.gz JMWPIMFCRRUUSX-SNVBAGLBSA-N 1 2 338.314 3.122 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC1(F)F ZINC000289738793 276386126 /nfs/dbraw/zinc/38/61/26/276386126.db2.gz JMWPIMFCRRUUSX-SNVBAGLBSA-N 1 2 338.314 3.122 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066847862 307363233 /nfs/dbraw/zinc/36/32/33/307363233.db2.gz PKZOCHBZKFUOFN-SFHVURJKSA-N 1 2 330.359 3.350 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066847862 307363235 /nfs/dbraw/zinc/36/32/35/307363235.db2.gz PKZOCHBZKFUOFN-SFHVURJKSA-N 1 2 330.359 3.350 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414232238 309067921 /nfs/dbraw/zinc/06/79/21/309067921.db2.gz IBEMLZVVWZAAHO-ZDUSSCGKSA-N 1 2 348.424 3.158 20 5 EGBDLO COc1ccc(C[NH2+]Cc2ncc(CSC)s2)cc1[N+](=O)[O-] ZINC000293551322 308140897 /nfs/dbraw/zinc/14/08/97/308140897.db2.gz LERNWUWWFVJZGF-UHFFFAOYSA-N 1 2 339.442 3.213 20 5 EGBDLO Cc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000295031497 308283642 /nfs/dbraw/zinc/28/36/42/308283642.db2.gz NZXAYGRBQOTOGO-UHFFFAOYSA-N 1 2 326.278 3.002 20 5 EGBDLO Cc1ccc([C@H](CNc2cccc(C)c2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000302497621 308738317 /nfs/dbraw/zinc/73/83/17/308738317.db2.gz NCFRNAAOQYWLLQ-INIZCTEOSA-N 1 2 345.399 3.290 20 5 EGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000326688184 308771096 /nfs/dbraw/zinc/77/10/96/308771096.db2.gz RZOPYASCHDUMTF-UHFFFAOYSA-N 1 2 326.287 3.376 20 5 EGBDLO CCO[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@]12CCCO2 ZINC000413234611 309022924 /nfs/dbraw/zinc/02/29/24/309022924.db2.gz PDOMQGWLMYZFLI-JZXOWHBKSA-N 1 2 343.383 3.282 20 5 EGBDLO CC1(C)CC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447804872 309989081 /nfs/dbraw/zinc/98/90/81/309989081.db2.gz HALRWUWGPMHMIB-HNNXBMFYSA-N 1 2 333.432 3.418 20 5 EGBDLO CC(C)C1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447815393 309989578 /nfs/dbraw/zinc/98/95/78/309989578.db2.gz FREONEQSAIWCNX-UHFFFAOYSA-N 1 2 347.459 3.299 20 5 EGBDLO C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448665090 310011415 /nfs/dbraw/zinc/01/14/15/310011415.db2.gz PJZYNBFFWKPGQK-OCCSQVGLSA-N 1 2 328.372 3.089 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000450833441 310144939 /nfs/dbraw/zinc/14/49/39/310144939.db2.gz SZXCMTWPBLHLLX-QMMMGPOBSA-N 1 2 329.282 3.398 20 5 EGBDLO C[C@@H]1C[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450836328 310145000 /nfs/dbraw/zinc/14/50/00/310145000.db2.gz YNOCJLFXOJSNNQ-VXNVDRBHSA-N 1 2 338.165 3.067 20 5 EGBDLO Cc1cc(C)c(CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])c[nH+]1 ZINC000450902857 310148748 /nfs/dbraw/zinc/14/87/48/310148748.db2.gz BJKQXBYWLNOQAY-UHFFFAOYSA-N 1 2 342.399 3.357 20 5 EGBDLO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000454212440 310297432 /nfs/dbraw/zinc/29/74/32/310297432.db2.gz KRAHCPDVHURPAC-QPUJVOFHSA-N 1 2 335.751 3.272 20 5 EGBDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459493446 310556526 /nfs/dbraw/zinc/55/65/26/310556526.db2.gz HKYUEKYKOCQARN-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000493493505 311385379 /nfs/dbraw/zinc/38/53/79/311385379.db2.gz MTNIRYGIGWENMQ-NEQXKTFVSA-N 1 2 346.774 3.280 20 5 EGBDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506258063 312046058 /nfs/dbraw/zinc/04/60/58/312046058.db2.gz FAUOFIWHXOESSV-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506258063 312046061 /nfs/dbraw/zinc/04/60/61/312046061.db2.gz FAUOFIWHXOESSV-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000507922708 312085351 /nfs/dbraw/zinc/08/53/51/312085351.db2.gz UPKVMPVHEYWPDP-UHFFFAOYSA-N 1 2 338.379 3.288 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C(F)F)CCCCC1 ZINC000510158904 312134717 /nfs/dbraw/zinc/13/47/17/312134717.db2.gz JBGLDAWAMHMDHG-UHFFFAOYSA-N 1 2 341.358 3.399 20 5 EGBDLO Cc1c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000537375162 314177277 /nfs/dbraw/zinc/17/72/77/314177277.db2.gz QWCXFDGYQKZADR-GOSISDBHSA-N 1 2 326.396 3.347 20 5 EGBDLO Cc1c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000537375162 314177278 /nfs/dbraw/zinc/17/72/78/314177278.db2.gz QWCXFDGYQKZADR-GOSISDBHSA-N 1 2 326.396 3.347 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccccc1 ZINC000565870682 316380579 /nfs/dbraw/zinc/38/05/79/316380579.db2.gz JZCBLXGCKWQQGL-KRWDZBQOSA-N 1 2 349.394 3.498 20 5 EGBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CC)C(=O)OCC ZINC000483435862 459369324 /nfs/dbraw/zinc/36/93/24/459369324.db2.gz DOOHEZTYJFEVSO-OAHLLOKOSA-N 1 2 326.368 3.288 20 5 EGBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CC)C(=O)OCC ZINC000483435862 459369331 /nfs/dbraw/zinc/36/93/31/459369331.db2.gz DOOHEZTYJFEVSO-OAHLLOKOSA-N 1 2 326.368 3.288 20 5 EGBDLO Cc1c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000264713925 455268313 /nfs/dbraw/zinc/26/83/13/455268313.db2.gz JVWRYBSQGMBBJE-LBPRGKRZSA-N 1 2 329.360 3.038 20 5 EGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000003107345 452744837 /nfs/dbraw/zinc/74/48/37/452744837.db2.gz HTZQCVGTLZTUBP-OAHLLOKOSA-N 1 2 341.367 3.001 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000008375431 453198821 /nfs/dbraw/zinc/19/88/21/453198821.db2.gz ARHVYOZSJQLFOW-UHFFFAOYSA-N 1 2 342.384 3.074 20 5 EGBDLO COc1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000015294520 453564297 /nfs/dbraw/zinc/56/42/97/453564297.db2.gz YTIOHMMVCZRXGL-UHFFFAOYSA-N 1 2 344.367 3.102 20 5 EGBDLO COc1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000015294520 453564303 /nfs/dbraw/zinc/56/43/03/453564303.db2.gz YTIOHMMVCZRXGL-UHFFFAOYSA-N 1 2 344.367 3.102 20 5 EGBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000023618682 453714389 /nfs/dbraw/zinc/71/43/89/453714389.db2.gz PPFIBJLTCAJOIB-UHFFFAOYSA-N 1 2 329.316 3.242 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348677 453797677 /nfs/dbraw/zinc/79/76/77/453797677.db2.gz DHJBYBZQHROIRS-LBPRGKRZSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348677 453797680 /nfs/dbraw/zinc/79/76/80/453797680.db2.gz DHJBYBZQHROIRS-LBPRGKRZSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053124801 453860186 /nfs/dbraw/zinc/86/01/86/453860186.db2.gz VOWCPHGRMWFQHX-GFCCVEGCSA-N 1 2 331.347 3.365 20 5 EGBDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053124801 453860188 /nfs/dbraw/zinc/86/01/88/453860188.db2.gz VOWCPHGRMWFQHX-GFCCVEGCSA-N 1 2 331.347 3.365 20 5 EGBDLO CC(C)CC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033243845 453911831 /nfs/dbraw/zinc/91/18/31/453911831.db2.gz RRVKLGKLYUPTBD-ZDUSSCGKSA-N 1 2 330.388 3.335 20 5 EGBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cn21 ZINC000068569142 454038257 /nfs/dbraw/zinc/03/82/57/454038257.db2.gz SVOWNHJZXMRYKS-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ncc([N+](=O)[O-])cc1C ZINC000068659720 454042440 /nfs/dbraw/zinc/04/24/40/454042440.db2.gz QNWKYVJXCGFYMA-UHFFFAOYSA-N 1 2 325.372 3.459 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000088607035 454114583 /nfs/dbraw/zinc/11/45/83/454114583.db2.gz MSNAZHYYNRCTNM-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000088607035 454114586 /nfs/dbraw/zinc/11/45/86/454114586.db2.gz MSNAZHYYNRCTNM-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072582752 454313925 /nfs/dbraw/zinc/31/39/25/454313925.db2.gz AHLXJAWACOQZEH-AWEZNQCLSA-N 1 2 344.415 3.078 20 5 EGBDLO Cc1noc(C)c1CN1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072582752 454313930 /nfs/dbraw/zinc/31/39/30/454313930.db2.gz AHLXJAWACOQZEH-AWEZNQCLSA-N 1 2 344.415 3.078 20 5 EGBDLO COc1cc(NCc2cn3cccc(C)c3[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000091628490 454451828 /nfs/dbraw/zinc/45/18/28/454451828.db2.gz ZTDMGKNJPALLPU-UHFFFAOYSA-N 1 2 330.319 3.311 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091892754 454485136 /nfs/dbraw/zinc/48/51/36/454485136.db2.gz SWPDMPBWUSIUOG-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091892754 454485141 /nfs/dbraw/zinc/48/51/41/454485141.db2.gz SWPDMPBWUSIUOG-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134069473 454499479 /nfs/dbraw/zinc/49/94/79/454499479.db2.gz FYOVTUSCJGUMJS-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000134069473 454499480 /nfs/dbraw/zinc/49/94/80/454499480.db2.gz FYOVTUSCJGUMJS-GFCCVEGCSA-N 1 2 343.358 3.119 20 5 EGBDLO CCOCCCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904540 454514575 /nfs/dbraw/zinc/51/45/75/454514575.db2.gz UORAATYJIHTINY-UHFFFAOYSA-N 1 2 330.388 3.453 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000050078712 454571380 /nfs/dbraw/zinc/57/13/80/454571380.db2.gz LUQUGFOSXSOJFY-UHFFFAOYSA-N 1 2 348.362 3.374 20 5 EGBDLO COC(=O)c1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)oc1C ZINC000135237139 454651058 /nfs/dbraw/zinc/65/10/58/454651058.db2.gz ZEBGDGCEGAPEAC-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)oc1C ZINC000135237139 454651064 /nfs/dbraw/zinc/65/10/64/454651064.db2.gz ZEBGDGCEGAPEAC-UHFFFAOYSA-N 1 2 344.367 3.447 20 5 EGBDLO CC[C@]1(C)C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000135629074 454695465 /nfs/dbraw/zinc/69/54/65/454695465.db2.gz XZYRDAIPISAGAU-YVEFUNNKSA-N 1 2 346.387 3.207 20 5 EGBDLO CC[C@]1(C)C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000135629074 454695469 /nfs/dbraw/zinc/69/54/69/454695469.db2.gz XZYRDAIPISAGAU-YVEFUNNKSA-N 1 2 346.387 3.207 20 5 EGBDLO Cc1cc(NC(=O)NCc2cn3c(cccc3C)[nH+]2)ccc1[N+](=O)[O-] ZINC000153650099 454817418 /nfs/dbraw/zinc/81/74/18/454817418.db2.gz DOOOLWANATZXIO-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125385804 454818081 /nfs/dbraw/zinc/81/80/81/454818081.db2.gz JITQBNOZCVKGCA-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125385804 454818084 /nfs/dbraw/zinc/81/80/84/454818084.db2.gz JITQBNOZCVKGCA-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127800480 454998935 /nfs/dbraw/zinc/99/89/35/454998935.db2.gz WWYLRVRQMPPLFY-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127800480 454998936 /nfs/dbraw/zinc/99/89/36/454998936.db2.gz WWYLRVRQMPPLFY-GFCCVEGCSA-N 1 2 339.355 3.233 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000245519640 455321057 /nfs/dbraw/zinc/32/10/57/455321057.db2.gz ITYCAKLYPNNVSY-SWLSCSKDSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000245519640 455321060 /nfs/dbraw/zinc/32/10/60/455321060.db2.gz ITYCAKLYPNNVSY-SWLSCSKDSA-N 1 2 333.413 3.494 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000184687966 455428387 /nfs/dbraw/zinc/42/83/87/455428387.db2.gz UFEMGGXTTHXSJF-LLVKDONJSA-N 1 2 348.428 3.211 20 5 EGBDLO Cc1c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000266962684 455484290 /nfs/dbraw/zinc/48/42/90/455484290.db2.gz KKVHXFSEFPXVLE-UHFFFAOYSA-N 1 2 329.360 3.038 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000185217676 455523553 /nfs/dbraw/zinc/52/35/53/455523553.db2.gz QOBGFECPRARCKO-CQSZACIVSA-N 1 2 342.399 3.263 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000271394502 455620783 /nfs/dbraw/zinc/62/07/83/455620783.db2.gz VWQSLUYJTGHHNY-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000271394502 455620786 /nfs/dbraw/zinc/62/07/86/455620786.db2.gz VWQSLUYJTGHHNY-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192638711 455658538 /nfs/dbraw/zinc/65/85/38/455658538.db2.gz SKSZGFDHEZSANJ-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192638711 455658542 /nfs/dbraw/zinc/65/85/42/455658542.db2.gz SKSZGFDHEZSANJ-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000194846410 455890180 /nfs/dbraw/zinc/89/01/80/455890180.db2.gz YTLFWVDOFOXZTL-UHFFFAOYSA-N 1 2 328.372 3.233 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nc(C3CC(F)(F)C3)no2)ccc1-n1cc[nH+]c1 ZINC000296411549 455930525 /nfs/dbraw/zinc/93/05/25/455930525.db2.gz KZBFZEXNSDWYPD-UHFFFAOYSA-N 1 2 347.281 3.343 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCn3ccnc32)cc(C(F)(F)F)c1 ZINC000296596217 455984127 /nfs/dbraw/zinc/98/41/27/455984127.db2.gz XHJRABJLZSCPGI-LBPRGKRZSA-N 1 2 326.278 3.045 20 5 EGBDLO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000332620608 456100104 /nfs/dbraw/zinc/10/01/04/456100104.db2.gz NSAKNFLZJLNLIX-GFCCVEGCSA-N 1 2 342.399 3.290 20 5 EGBDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301453101 456120512 /nfs/dbraw/zinc/12/05/12/456120512.db2.gz VAZBYZYQAOGMAA-UHFFFAOYSA-N 1 2 332.791 3.278 20 5 EGBDLO Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301456941 456120764 /nfs/dbraw/zinc/12/07/64/456120764.db2.gz XFRPDHSORTYRBQ-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO Cc1ccc([C@@H](CNc2cc(C)ccc2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000301549214 456143319 /nfs/dbraw/zinc/14/33/19/456143319.db2.gz GFAIDRLFEMUWLQ-QGZVFWFLSA-N 1 2 345.399 3.290 20 5 EGBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271199185 456168799 /nfs/dbraw/zinc/16/87/99/456168799.db2.gz OYBVMABBXWPZNG-VXMWWYGOSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271199185 456168810 /nfs/dbraw/zinc/16/88/10/456168810.db2.gz OYBVMABBXWPZNG-VXMWWYGOSA-N 1 2 348.424 3.196 20 5 EGBDLO Cc1cc([NH+](C)C)ccc1Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276121643 456392375 /nfs/dbraw/zinc/39/23/75/456392375.db2.gz YITFLGKYGRIBLY-UHFFFAOYSA-N 1 2 349.412 3.116 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](C2CC2)C1 ZINC000290886532 456456689 /nfs/dbraw/zinc/45/66/89/456456689.db2.gz LBQLAAOYYLDMSA-OAHLLOKOSA-N 1 2 340.383 3.043 20 5 EGBDLO CC(C)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299253221 456643607 /nfs/dbraw/zinc/64/36/07/456643607.db2.gz DYPCYNCWJBOQQO-CQSZACIVSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000283474906 456788166 /nfs/dbraw/zinc/78/81/66/456788166.db2.gz GKRSQQJLSWJLGA-UHFFFAOYSA-N 1 2 340.383 3.405 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000344706579 456851423 /nfs/dbraw/zinc/85/14/23/456851423.db2.gz OSEWPFWTEKIXCT-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000344706579 456851427 /nfs/dbraw/zinc/85/14/27/456851427.db2.gz OSEWPFWTEKIXCT-MRXNPFEDSA-N 1 2 344.367 3.382 20 5 EGBDLO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339113721 456946669 /nfs/dbraw/zinc/94/66/69/456946669.db2.gz KTTURXGKBUWQQB-LJQANCHMSA-N 1 2 344.411 3.464 20 5 EGBDLO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339113721 456946673 /nfs/dbraw/zinc/94/66/73/456946673.db2.gz KTTURXGKBUWQQB-LJQANCHMSA-N 1 2 344.411 3.464 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000353890724 456953032 /nfs/dbraw/zinc/95/30/32/456953032.db2.gz CTAZMPBHPWWXKL-UHFFFAOYSA-N 1 2 339.355 3.127 20 5 EGBDLO O=C(C[NH+]1CCC(C(F)F)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362727109 457064842 /nfs/dbraw/zinc/06/48/42/457064842.db2.gz IJCADYYKCAQPDK-UHFFFAOYSA-N 1 2 347.749 3.164 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(C(F)F)CC3)n2)cc1 ZINC000362729262 457066294 /nfs/dbraw/zinc/06/62/94/457066294.db2.gz OVFQFANIUDQAEA-UHFFFAOYSA-N 1 2 338.314 3.122 20 5 EGBDLO Cc1sc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000360010031 457201567 /nfs/dbraw/zinc/20/15/67/457201567.db2.gz KVOPGYGRURWWNN-UHFFFAOYSA-N 1 2 342.380 3.080 20 5 EGBDLO Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH+]c2c1 ZINC000342272003 457202843 /nfs/dbraw/zinc/20/28/43/457202843.db2.gz NESALIIOQBFNNX-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000356916139 457216729 /nfs/dbraw/zinc/21/67/29/457216729.db2.gz KJVZPMZGBUBNGF-JTQLQIEISA-N 1 2 328.328 3.397 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](Cc2cccs2)CC1 ZINC000360892184 457413491 /nfs/dbraw/zinc/41/34/91/457413491.db2.gz ZWKJEBOMTJEFHS-UHFFFAOYSA-N 1 2 345.424 3.181 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000361113859 457589741 /nfs/dbraw/zinc/58/97/41/457589741.db2.gz OMSUVDXDICPXHU-UHFFFAOYSA-N 1 2 326.352 3.286 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000361113859 457589745 /nfs/dbraw/zinc/58/97/45/457589745.db2.gz OMSUVDXDICPXHU-UHFFFAOYSA-N 1 2 326.352 3.286 20 5 EGBDLO Cn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C(F)F)n1 ZINC000361185587 457636627 /nfs/dbraw/zinc/63/66/27/457636627.db2.gz GWHHRILXAWZBBS-UHFFFAOYSA-N 1 2 336.342 3.431 20 5 EGBDLO Cn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C(F)F)n1 ZINC000361185587 457636628 /nfs/dbraw/zinc/63/66/28/457636628.db2.gz GWHHRILXAWZBBS-UHFFFAOYSA-N 1 2 336.342 3.431 20 5 EGBDLO O=C(c1cccs1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000361516135 457765621 /nfs/dbraw/zinc/76/56/21/457765621.db2.gz NSOPFOKGBVGRPT-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO O=C(c1cccs1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000361516135 457765627 /nfs/dbraw/zinc/76/56/27/457765627.db2.gz NSOPFOKGBVGRPT-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)on1 ZINC000444597305 457915440 /nfs/dbraw/zinc/91/54/40/457915440.db2.gz OMBCFYZPMXMXMK-AWEZNQCLSA-N 1 2 327.344 3.105 20 5 EGBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)on1 ZINC000444597305 457915444 /nfs/dbraw/zinc/91/54/44/457915444.db2.gz OMBCFYZPMXMXMK-AWEZNQCLSA-N 1 2 327.344 3.105 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444696190 457944555 /nfs/dbraw/zinc/94/45/55/457944555.db2.gz VDONAOFXDRCNBP-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444696190 457944558 /nfs/dbraw/zinc/94/45/58/457944558.db2.gz VDONAOFXDRCNBP-UHFFFAOYSA-N 1 2 349.337 3.252 20 5 EGBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1[N+](=O)[O-] ZINC000434190924 457957804 /nfs/dbraw/zinc/95/78/04/457957804.db2.gz KXJGFCLKSVGUJV-UHFFFAOYSA-N 1 2 340.343 3.084 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456348798 458639003 /nfs/dbraw/zinc/63/90/03/458639003.db2.gz INNISVRWEGLTSA-UKRRQHHQSA-N 1 2 344.415 3.257 20 5 EGBDLO CC(C)c1ccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456404161 458666546 /nfs/dbraw/zinc/66/65/46/458666546.db2.gz FXRWRTCZGYPKCZ-RISCZKNCSA-N 1 2 328.372 3.351 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472030028 458762800 /nfs/dbraw/zinc/76/28/00/458762800.db2.gz PEJLRQKUDPJSNK-ZBFHGGJFSA-N 1 2 333.432 3.418 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)c[nH+]2)C[C@@H](C)O1 ZINC000530479848 458775868 /nfs/dbraw/zinc/77/58/68/458775868.db2.gz GPMPLQOORVXAEK-CHWSQXEVSA-N 1 2 328.372 3.347 20 5 EGBDLO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccn1 ZINC000518068149 458841523 /nfs/dbraw/zinc/84/15/23/458841523.db2.gz FGSGGNPDROYWPV-UHFFFAOYSA-N 1 2 325.372 3.277 20 5 EGBDLO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccn1 ZINC000518068149 458841527 /nfs/dbraw/zinc/84/15/27/458841527.db2.gz FGSGGNPDROYWPV-UHFFFAOYSA-N 1 2 325.372 3.277 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000532502809 459102195 /nfs/dbraw/zinc/10/21/95/459102195.db2.gz VVXLSEUNFBDRNA-SECBINFHSA-N 1 2 339.193 3.240 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000532650737 459124288 /nfs/dbraw/zinc/12/42/88/459124288.db2.gz JSUVNPRMDYJDPS-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000532650737 459124294 /nfs/dbraw/zinc/12/42/94/459124294.db2.gz JSUVNPRMDYJDPS-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595288324 459267206 /nfs/dbraw/zinc/26/72/06/459267206.db2.gz YQCQOYMMBISLQE-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595288324 459267209 /nfs/dbraw/zinc/26/72/09/459267209.db2.gz YQCQOYMMBISLQE-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO Cc1noc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595295022 459269912 /nfs/dbraw/zinc/26/99/12/459269912.db2.gz FZIFILMTVDFJIV-OAHLLOKOSA-N 1 2 331.372 3.072 20 5 EGBDLO Cc1noc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595295022 459269919 /nfs/dbraw/zinc/26/99/19/459269919.db2.gz FZIFILMTVDFJIV-OAHLLOKOSA-N 1 2 331.372 3.072 20 5 EGBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000595419764 459293737 /nfs/dbraw/zinc/29/37/37/459293737.db2.gz KSDDIGWNYQFHCJ-GFCCVEGCSA-N 1 2 330.388 3.342 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000595657492 459386170 /nfs/dbraw/zinc/38/61/70/459386170.db2.gz KRVSILLCRZASMH-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000595657492 459386174 /nfs/dbraw/zinc/38/61/74/459386174.db2.gz KRVSILLCRZASMH-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000595659281 459387038 /nfs/dbraw/zinc/38/70/38/459387038.db2.gz ZUVVSRYCLSRMDA-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC2 ZINC000595659281 459387043 /nfs/dbraw/zinc/38/70/43/459387043.db2.gz ZUVVSRYCLSRMDA-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO COC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000595685338 459396441 /nfs/dbraw/zinc/39/64/41/459396441.db2.gz VVOXALPGWLPSNB-MRXNPFEDSA-N 1 2 334.347 3.220 20 5 EGBDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595760219 459428067 /nfs/dbraw/zinc/42/80/67/459428067.db2.gz RYYVHMXQVANRKW-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000595760219 459428073 /nfs/dbraw/zinc/42/80/73/459428073.db2.gz RYYVHMXQVANRKW-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO C[C@H](Nc1ccc(C(F)F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000596115242 459527124 /nfs/dbraw/zinc/52/71/24/459527124.db2.gz RRMVXMYEUYGWAH-QWRGUYRKSA-N 1 2 329.347 3.054 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(NCc3ccc[nH+]c3N3CCCC3)ccc2c1 ZINC000596358607 459607492 /nfs/dbraw/zinc/60/74/92/459607492.db2.gz YKVGOUNZESVYGZ-UHFFFAOYSA-N 1 2 349.394 3.172 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](Oc4ccccc4)C3)nc2c1 ZINC000573443143 459678639 /nfs/dbraw/zinc/67/86/39/459678639.db2.gz WRGZYNPDRXFVHM-HNNXBMFYSA-N 1 2 338.367 3.124 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](Oc4ccccc4)C3)nc2c1 ZINC000573443143 459678645 /nfs/dbraw/zinc/67/86/45/459678645.db2.gz WRGZYNPDRXFVHM-HNNXBMFYSA-N 1 2 338.367 3.124 20 5 EGBDLO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000501075934 459710185 /nfs/dbraw/zinc/71/01/85/459710185.db2.gz FTMTUJBSRBMPFF-YJBOKZPZSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000501075934 459710189 /nfs/dbraw/zinc/71/01/89/459710189.db2.gz FTMTUJBSRBMPFF-YJBOKZPZSA-N 1 2 342.395 3.436 20 5 EGBDLO C[C@](O)(C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000545223400 459811914 /nfs/dbraw/zinc/81/19/14/459811914.db2.gz XKYLUZWPKXJVBN-LBPRGKRZSA-N 1 2 338.351 3.182 20 5 EGBDLO Cc1cc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc([N+](=O)[O-])c1 ZINC000545604821 459840916 /nfs/dbraw/zinc/84/09/16/459840916.db2.gz PKVIFFLCGWAQFI-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609135159 459909107 /nfs/dbraw/zinc/90/91/07/459909107.db2.gz IHSDLZPMLBZJFZ-LBPRGKRZSA-N 1 2 349.778 3.314 20 5 EGBDLO CC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCCO1 ZINC000602449755 459943154 /nfs/dbraw/zinc/94/31/54/459943154.db2.gz RRZAIYVNKLTEDC-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO CC[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCCO1 ZINC000602449755 459943162 /nfs/dbraw/zinc/94/31/62/459943162.db2.gz RRZAIYVNKLTEDC-VIFPVBQESA-N 1 2 349.250 3.420 20 5 EGBDLO Cn1cccc1C[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602479140 459957814 /nfs/dbraw/zinc/95/78/14/459957814.db2.gz XESJZUZRGJCKQK-UHFFFAOYSA-N 1 2 344.234 3.389 20 5 EGBDLO Cn1cccc1C[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602479140 459957820 /nfs/dbraw/zinc/95/78/20/459957820.db2.gz XESJZUZRGJCKQK-UHFFFAOYSA-N 1 2 344.234 3.389 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(CNc3ccc(N4CCCC4)c[nH+]3)nc2c1 ZINC000602522619 459981267 /nfs/dbraw/zinc/98/12/67/459981267.db2.gz UTBNRRAMCSWXCB-UHFFFAOYSA-N 1 2 339.355 3.343 20 5 EGBDLO CC(C)(CNc1ccc(C(F)F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000589102932 460029475 /nfs/dbraw/zinc/02/94/75/460029475.db2.gz FMURDPQJKIAHQR-UHFFFAOYSA-N 1 2 329.347 3.055 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3sccc3C2)c1 ZINC000589494533 460094446 /nfs/dbraw/zinc/09/44/46/460094446.db2.gz CKBGDUFKLLHDPD-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3sccc3C2)c1 ZINC000589494533 460094454 /nfs/dbraw/zinc/09/44/54/460094454.db2.gz CKBGDUFKLLHDPD-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512620 460265424 /nfs/dbraw/zinc/26/54/24/460265424.db2.gz LJRUKGQVOMDNAV-RYUDHWBXSA-N 1 2 341.358 3.065 20 5 EGBDLO COc1ccccc1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252090 460317178 /nfs/dbraw/zinc/31/71/78/460317178.db2.gz QBLIRHVSDRCWJN-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccccc1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252090 460317182 /nfs/dbraw/zinc/31/71/82/460317182.db2.gz QBLIRHVSDRCWJN-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO C[N@H+](Cc1ccccc1F)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252229 460317537 /nfs/dbraw/zinc/31/75/37/460317537.db2.gz ZAVCHHVURMHKHY-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO C[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252229 460317541 /nfs/dbraw/zinc/31/75/41/460317541.db2.gz ZAVCHHVURMHKHY-UHFFFAOYSA-N 1 2 332.331 3.137 20 5 EGBDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603840429 460346194 /nfs/dbraw/zinc/34/61/94/460346194.db2.gz BQUAOIDVENJWQZ-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000604484710 460433663 /nfs/dbraw/zinc/43/36/63/460433663.db2.gz DGJTVZIITMZDJB-UHFFFAOYSA-N 1 2 338.323 3.002 20 5 EGBDLO CCC[N@H+](Cc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604493329 460434622 /nfs/dbraw/zinc/43/46/22/460434622.db2.gz NTTJFUKPBSHLDU-UHFFFAOYSA-N 1 2 345.374 3.245 20 5 EGBDLO CCC[N@@H+](Cc1ccccc1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604493329 460434625 /nfs/dbraw/zinc/43/46/25/460434625.db2.gz NTTJFUKPBSHLDU-UHFFFAOYSA-N 1 2 345.374 3.245 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240042 460762074 /nfs/dbraw/zinc/76/20/74/460762074.db2.gz DKQLLISSJKLYRG-UHFFFAOYSA-N 1 2 348.403 3.294 20 5 EGBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000735803149 575717575 /nfs/dbraw/zinc/71/75/75/575717575.db2.gz XFTZCIGNYFUERB-UHFFFAOYSA-N 1 2 330.731 3.457 20 5 EGBDLO CCC[C@]1(C)CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743404131 576808568 /nfs/dbraw/zinc/80/85/68/576808568.db2.gz KEVPCHIBZOICDX-GOSISDBHSA-N 1 2 345.399 3.051 20 5 EGBDLO CCC[C@]1(C)CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000743404131 576808569 /nfs/dbraw/zinc/80/85/69/576808569.db2.gz KEVPCHIBZOICDX-GOSISDBHSA-N 1 2 345.399 3.051 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000745103045 576841348 /nfs/dbraw/zinc/84/13/48/576841348.db2.gz YXXOGIRZYGFGBX-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000745103045 576841349 /nfs/dbraw/zinc/84/13/49/576841349.db2.gz YXXOGIRZYGFGBX-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](Cc1cccc(Br)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000746026599 1298514650 /nfs/dbraw/zinc/51/46/50/1298514650.db2.gz PAPIQDXRNKARDO-UHFFFAOYSA-N 1 2 339.193 3.033 20 5 EGBDLO CC[N@H+](Cc1cccc(Br)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000746026599 1298514659 /nfs/dbraw/zinc/51/46/59/1298514659.db2.gz PAPIQDXRNKARDO-UHFFFAOYSA-N 1 2 339.193 3.033 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccoc1 ZINC000745983021 1298507450 /nfs/dbraw/zinc/50/74/50/1298507450.db2.gz AWBXLUZJOPJUHY-SNVBAGLBSA-N 1 2 337.763 3.300 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccoc1 ZINC000745983021 1298507444 /nfs/dbraw/zinc/50/74/44/1298507444.db2.gz AWBXLUZJOPJUHY-SNVBAGLBSA-N 1 2 337.763 3.300 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645497 1299453686 /nfs/dbraw/zinc/45/36/86/1299453686.db2.gz MZQDNYCEOTZZII-MRXNPFEDSA-N 1 2 347.802 3.434 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645497 1299453693 /nfs/dbraw/zinc/45/36/93/1299453693.db2.gz MZQDNYCEOTZZII-MRXNPFEDSA-N 1 2 347.802 3.434 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000877655696 1299458306 /nfs/dbraw/zinc/45/83/06/1299458306.db2.gz IEJLDBOUSYCGFS-UHFFFAOYSA-N 1 2 338.411 3.437 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000877655696 1299458311 /nfs/dbraw/zinc/45/83/11/1299458311.db2.gz IEJLDBOUSYCGFS-UHFFFAOYSA-N 1 2 338.411 3.437 20 5 EGBDLO CSC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000879097664 1300366222 /nfs/dbraw/zinc/36/62/22/1300366222.db2.gz GKNJZKMXXKXIEZ-UHFFFAOYSA-N 1 2 343.836 3.014 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000779347078 1304559562 /nfs/dbraw/zinc/55/95/62/1304559562.db2.gz HAYAJNQOBFMDBB-UHFFFAOYSA-N 1 2 344.371 3.245 20 5 EGBDLO COc1cccc(CC2CC[NH+](Cn3cc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000784008506 1305175424 /nfs/dbraw/zinc/17/54/24/1305175424.db2.gz IQZVVKGIWFYQDU-UHFFFAOYSA-N 1 2 344.415 3.021 20 5 EGBDLO COc1c(O)ccc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)c1[N+](=O)[O-] ZINC000893079572 1305695282 /nfs/dbraw/zinc/69/52/82/1305695282.db2.gz JTSWCKAHKGZADP-ZDUSSCGKSA-N 1 2 349.412 3.315 20 5 EGBDLO O=[N+]([O-])c1ccc(COc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000789592621 1306189883 /nfs/dbraw/zinc/18/98/83/1306189883.db2.gz XTCXQYXQTZKDPX-UHFFFAOYSA-N 1 2 340.295 3.268 20 5 EGBDLO O=[N+]([O-])c1cccc([C@H](NCCCn2cc[nH+]c2)C(F)(F)F)c1F ZINC000839652180 1320951844 /nfs/dbraw/zinc/95/18/44/1320951844.db2.gz KGWZUCXREJEJAC-ZDUSSCGKSA-N 1 2 346.284 3.214 20 5 EGBDLO O=[N+]([O-])c1nn(C[NH+]2CCCCCCCC2)cc1Br ZINC000840132492 1321035916 /nfs/dbraw/zinc/03/59/16/1321035916.db2.gz BLSDDXSGUZHMKT-UHFFFAOYSA-N 1 2 331.214 3.168 20 5 EGBDLO COc1ccc2cc(C[N@H+](C)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000914566462 1319346920 /nfs/dbraw/zinc/34/69/20/1319346920.db2.gz KNYUEFJQPKKMAR-UHFFFAOYSA-N 1 2 326.356 3.043 20 5 EGBDLO COc1ccc2cc(C[N@@H+](C)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000914566462 1319346930 /nfs/dbraw/zinc/34/69/30/1319346930.db2.gz KNYUEFJQPKKMAR-UHFFFAOYSA-N 1 2 326.356 3.043 20 5 EGBDLO C[C@H](CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)n1cc[nH+]c1 ZINC000844316032 1321588623 /nfs/dbraw/zinc/58/86/23/1321588623.db2.gz ZXSVCXDHTLYJTB-LLVKDONJSA-N 1 2 336.779 3.054 20 5 EGBDLO C[C@H](CNc1cccc(Br)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000856724050 1325513501 /nfs/dbraw/zinc/51/35/01/1325513501.db2.gz QHSSRJIKEVRXIG-SNVBAGLBSA-N 1 2 339.193 3.302 20 5 EGBDLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC001123454177 1372475171 /nfs/dbraw/zinc/47/51/71/1372475171.db2.gz WJDAJYZGSRJFEB-CJNGLKHVSA-N 1 2 343.387 3.215 20 5 EGBDLO COC(=O)[C@@H]1C[C@@H](OCc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001217823416 1373504376 /nfs/dbraw/zinc/50/43/76/1373504376.db2.gz VYLJCCGQKMZPJG-UZLBHIALSA-N 1 2 335.403 3.413 20 5 EGBDLO COC(=O)[C@@H]1C[C@H](OCc2c3ccccc3cc3ccccc32)C[NH2+]1 ZINC001217823415 1373504871 /nfs/dbraw/zinc/50/48/71/1373504871.db2.gz VYLJCCGQKMZPJG-JXFKEZNVSA-N 1 2 335.403 3.413 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225667075 1375140904 /nfs/dbraw/zinc/14/09/04/1375140904.db2.gz NZZGWDWZRQKVPL-HNNXBMFYSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225667075 1375140907 /nfs/dbraw/zinc/14/09/07/1375140907.db2.gz NZZGWDWZRQKVPL-HNNXBMFYSA-N 1 2 346.358 3.014 20 5 EGBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1c2ccccc2cc2ccccc21 ZINC001153499430 1380085947 /nfs/dbraw/zinc/08/59/47/1380085947.db2.gz NWYUWPQBQONNCL-KRWDZBQOSA-N 1 2 334.419 3.053 20 5 EGBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1c2ccccc2cc2ccccc21 ZINC001153499430 1380085949 /nfs/dbraw/zinc/08/59/49/1380085949.db2.gz NWYUWPQBQONNCL-KRWDZBQOSA-N 1 2 334.419 3.053 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001162128974 1382634460 /nfs/dbraw/zinc/63/44/60/1382634460.db2.gz YSKCLLFBEYOUCA-UHFFFAOYSA-N 1 2 336.779 3.437 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@](C)(F)C2)c1F ZINC001173181949 1384932668 /nfs/dbraw/zinc/93/26/68/1384932668.db2.gz QVRKRRSXZYJPQO-ZBEGNZNMSA-N 1 2 328.359 3.498 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC[C@](C)(F)C2)c1F ZINC001173181949 1384932670 /nfs/dbraw/zinc/93/26/70/1384932670.db2.gz QVRKRRSXZYJPQO-ZBEGNZNMSA-N 1 2 328.359 3.498 20 5 EGBDLO Cc1nc([C@@H]2CCCC[N@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173226052 1384940160 /nfs/dbraw/zinc/94/01/60/1384940160.db2.gz HGDCQCCXNCXUGU-WBMJQRKESA-N 1 2 330.388 3.444 20 5 EGBDLO Cc1nc([C@@H]2CCCC[N@@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173226052 1384940165 /nfs/dbraw/zinc/94/01/65/1384940165.db2.gz HGDCQCCXNCXUGU-WBMJQRKESA-N 1 2 330.388 3.444 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC001338614277 1389715938 /nfs/dbraw/zinc/71/59/38/1389715938.db2.gz SHFIGVXISQKCRX-UHFFFAOYSA-N 1 2 340.430 3.207 20 5 EGBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001339258184 1389961549 /nfs/dbraw/zinc/96/15/49/1389961549.db2.gz KNUFCPYVCYWSNC-UHFFFAOYSA-N 1 2 348.790 3.002 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC001350430782 1391463582 /nfs/dbraw/zinc/46/35/82/1391463582.db2.gz BJRGBIGUEBJWML-UHFFFAOYSA-N 1 2 334.401 3.145 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000368400700 168351775 /nfs/dbraw/zinc/35/17/75/168351775.db2.gz VXPFRSKKJAMQDT-CYBMUJFWSA-N 1 2 343.387 3.107 20 5 EGBDLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055052873 214268434 /nfs/dbraw/zinc/26/84/34/214268434.db2.gz BUXNSVJQOGTYGW-UHFFFAOYSA-N 1 2 337.763 3.220 20 5 EGBDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000055052873 214268436 /nfs/dbraw/zinc/26/84/36/214268436.db2.gz BUXNSVJQOGTYGW-UHFFFAOYSA-N 1 2 337.763 3.220 20 5 EGBDLO O=C(C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264165918 246129983 /nfs/dbraw/zinc/12/99/83/246129983.db2.gz GVSBBZRTVZHGCJ-AWEZNQCLSA-N 1 2 343.358 3.162 20 5 EGBDLO O=C(C[N@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000264165918 246129990 /nfs/dbraw/zinc/12/99/90/246129990.db2.gz GVSBBZRTVZHGCJ-AWEZNQCLSA-N 1 2 343.358 3.162 20 5 EGBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000118420553 221147016 /nfs/dbraw/zinc/14/70/16/221147016.db2.gz FMWGDBJSUTZRNI-ZJUUUORDSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000118420553 221147018 /nfs/dbraw/zinc/14/70/18/221147018.db2.gz FMWGDBJSUTZRNI-ZJUUUORDSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncc1F ZINC000338361387 141107323 /nfs/dbraw/zinc/10/73/23/141107323.db2.gz ZITKRGKJICFJDJ-SNVBAGLBSA-N 1 2 343.318 3.030 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCOc1ccccc1C(C)(C)C ZINC000361599727 144335180 /nfs/dbraw/zinc/33/51/80/144335180.db2.gz DRYYYWJHJHPFDY-UHFFFAOYSA-N 1 2 346.431 3.137 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCOc1ccccc1C(C)(C)C ZINC000361599727 144335182 /nfs/dbraw/zinc/33/51/82/144335182.db2.gz DRYYYWJHJHPFDY-UHFFFAOYSA-N 1 2 346.431 3.137 20 5 EGBDLO CCOC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000194631692 153350030 /nfs/dbraw/zinc/35/00/30/153350030.db2.gz FMYMPUSRGHDMME-UHFFFAOYSA-N 1 2 326.780 3.023 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(NCCc3[nH]c4ccccc4[nH+]3)ccc2c1 ZINC000338640324 163302158 /nfs/dbraw/zinc/30/21/58/163302158.db2.gz UVHKVSKDLQAPRO-UHFFFAOYSA-N 1 2 333.351 3.096 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](Cc2ccco2)CC1 ZINC000351971606 165174143 /nfs/dbraw/zinc/17/41/43/165174143.db2.gz UVFVUKVABUOQPQ-OAHLLOKOSA-N 1 2 329.400 3.375 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2ccco2)CC1 ZINC000351971606 165174147 /nfs/dbraw/zinc/17/41/47/165174147.db2.gz UVFVUKVABUOQPQ-OAHLLOKOSA-N 1 2 329.400 3.375 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OC ZINC000352097345 165233823 /nfs/dbraw/zinc/23/38/23/165233823.db2.gz RMRBGYQWTKSABX-CYBMUJFWSA-N 1 2 347.371 3.246 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c([N+](=O)[O-])cc1OC ZINC000352097345 165233826 /nfs/dbraw/zinc/23/38/26/165233826.db2.gz RMRBGYQWTKSABX-CYBMUJFWSA-N 1 2 347.371 3.246 20 5 EGBDLO Cn1nccc1C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000355285178 166154059 /nfs/dbraw/zinc/15/40/59/166154059.db2.gz GHMOOGZPNQGTKQ-UHFFFAOYSA-N 1 2 326.356 3.220 20 5 EGBDLO Cn1nccc1C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000355285178 166154062 /nfs/dbraw/zinc/15/40/62/166154062.db2.gz GHMOOGZPNQGTKQ-UHFFFAOYSA-N 1 2 326.356 3.220 20 5 EGBDLO Cc1cc(Nc2c([N+](=O)[O-])ncn2C)c[nH+]c1N1CCCC[C@H]1C ZINC000355580964 166250139 /nfs/dbraw/zinc/25/01/39/166250139.db2.gz ZPHQDUHHOZLVLT-GFCCVEGCSA-N 1 2 330.392 3.154 20 5 EGBDLO Cc1c([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000359013520 167037283 /nfs/dbraw/zinc/03/72/83/167037283.db2.gz IRQTUWNVFHLFFL-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000366630715 168125670 /nfs/dbraw/zinc/12/56/70/168125670.db2.gz ZEZSAWQBMABGNL-INIZCTEOSA-N 1 2 342.399 3.487 20 5 EGBDLO CCc1cc(NCC2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000194990009 266152692 /nfs/dbraw/zinc/15/26/92/266152692.db2.gz MWTBQTIIVAZUIH-UHFFFAOYSA-N 1 2 342.399 3.453 20 5 EGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269408057 266288703 /nfs/dbraw/zinc/28/87/03/266288703.db2.gz WNYWINHUFSNDQN-UHFFFAOYSA-N 1 2 349.700 3.038 20 5 EGBDLO Cc1cc(N[C@H]2CC[C@H](O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269877562 266373545 /nfs/dbraw/zinc/37/35/45/266373545.db2.gz QBWJZKYNBPCSKM-CTYIDZIISA-N 1 2 328.372 3.076 20 5 EGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000282692132 275661275 /nfs/dbraw/zinc/66/12/75/275661275.db2.gz KHYROBPAGBTMLV-GFCCVEGCSA-N 1 2 347.419 3.191 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000286474055 276004857 /nfs/dbraw/zinc/00/48/57/276004857.db2.gz PJCQYNMQHKCGEZ-ZBEGNZNMSA-N 1 2 326.343 3.000 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000286474055 276004858 /nfs/dbraw/zinc/00/48/58/276004858.db2.gz PJCQYNMQHKCGEZ-ZBEGNZNMSA-N 1 2 326.343 3.000 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000338681256 277937709 /nfs/dbraw/zinc/93/77/09/277937709.db2.gz KZMGUHKCTXSCCM-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC2(CC2)C1 ZINC000186968683 278214078 /nfs/dbraw/zinc/21/40/78/278214078.db2.gz RVSVJYDKIZVETE-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCC2(CC2)C1 ZINC000186968683 278214081 /nfs/dbraw/zinc/21/40/81/278214081.db2.gz RVSVJYDKIZVETE-NSHDSACASA-N 1 2 337.807 3.451 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ncc(C)cc2[N+](=O)[O-])C3)cc1 ZINC000362953059 280746397 /nfs/dbraw/zinc/74/63/97/280746397.db2.gz WVVWTITULFAEDI-UHFFFAOYSA-N 1 2 349.394 3.355 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000373075062 294416828 /nfs/dbraw/zinc/41/68/28/294416828.db2.gz SCNVJFIRZMCZMP-LLVKDONJSA-N 1 2 348.790 3.002 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414557658 309089087 /nfs/dbraw/zinc/08/90/87/309089087.db2.gz QHBLLWNJPLRCIQ-UHFFFAOYSA-N 1 2 334.401 3.012 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000298720648 308635573 /nfs/dbraw/zinc/63/55/73/308635573.db2.gz KNLWIEKJOXJDNV-UHFFFAOYSA-N 1 2 344.396 3.135 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000301252155 308693571 /nfs/dbraw/zinc/69/35/71/308693571.db2.gz CMDISURIWHZAJT-AWEZNQCLSA-N 1 2 336.342 3.291 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](CC)O1 ZINC000420965198 309304862 /nfs/dbraw/zinc/30/48/62/309304862.db2.gz XUAVXNMRGQSNAT-GASCZTMLSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](CC)O1 ZINC000420965198 309304863 /nfs/dbraw/zinc/30/48/63/309304863.db2.gz XUAVXNMRGQSNAT-GASCZTMLSA-N 1 2 346.387 3.034 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000421788155 309340193 /nfs/dbraw/zinc/34/01/93/309340193.db2.gz RSMPIZGLIFJMAD-PXAZEXFGSA-N 1 2 342.399 3.131 20 5 EGBDLO CCCc1nc(C)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000428470105 309552579 /nfs/dbraw/zinc/55/25/79/309552579.db2.gz MLQICFLZSGDHMN-UHFFFAOYSA-N 1 2 344.415 3.166 20 5 EGBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000433103143 309679005 /nfs/dbraw/zinc/67/90/05/309679005.db2.gz IQXZTPGHQRVGDU-UHFFFAOYSA-N 1 2 336.351 3.021 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C1CCC1 ZINC000448902201 310023121 /nfs/dbraw/zinc/02/31/21/310023121.db2.gz UKKYHLTVQWXNNX-OAHLLOKOSA-N 1 2 340.383 3.185 20 5 EGBDLO CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450012236 310098834 /nfs/dbraw/zinc/09/88/34/310098834.db2.gz ZBAMKYKSOQHHKK-OCCSQVGLSA-N 1 2 328.372 3.041 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CC1CC1)C1CCC1 ZINC000451581730 310187665 /nfs/dbraw/zinc/18/76/65/310187665.db2.gz RGAKCTQCZBJMIR-UHFFFAOYSA-N 1 2 340.383 3.185 20 5 EGBDLO CCOCCOC1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459457058 310553895 /nfs/dbraw/zinc/55/38/95/310553895.db2.gz IOFCSXQOTYFBCC-UHFFFAOYSA-N 1 2 346.383 3.092 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489256884 311097422 /nfs/dbraw/zinc/09/74/22/311097422.db2.gz BZQLYCHAGHYMEF-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489256884 311097423 /nfs/dbraw/zinc/09/74/23/311097423.db2.gz BZQLYCHAGHYMEF-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO CCCN(CCC)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490046157 311131073 /nfs/dbraw/zinc/13/10/73/311131073.db2.gz ORXXXMMFGXLQBP-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO CCCN(CCC)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490046157 311131074 /nfs/dbraw/zinc/13/10/74/311131074.db2.gz ORXXXMMFGXLQBP-UHFFFAOYSA-N 1 2 333.432 3.208 20 5 EGBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)c[nH+]1 ZINC000496566349 311731502 /nfs/dbraw/zinc/73/15/02/311731502.db2.gz QQKRTARVXCJWDK-UHFFFAOYSA-N 1 2 342.355 3.175 20 5 EGBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000505564109 312026479 /nfs/dbraw/zinc/02/64/79/312026479.db2.gz KZCZLXTYFBJNJJ-ZDUSSCGKSA-N 1 2 346.358 3.396 20 5 EGBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000505564109 312026481 /nfs/dbraw/zinc/02/64/81/312026481.db2.gz KZCZLXTYFBJNJJ-ZDUSSCGKSA-N 1 2 346.358 3.396 20 5 EGBDLO CCn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000549844237 315107204 /nfs/dbraw/zinc/10/72/04/315107204.db2.gz KEIWLNBVQRMUND-UHFFFAOYSA-N 1 2 342.321 3.462 20 5 EGBDLO CCn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000549844237 315107206 /nfs/dbraw/zinc/10/72/06/315107206.db2.gz KEIWLNBVQRMUND-UHFFFAOYSA-N 1 2 342.321 3.462 20 5 EGBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550064556 315114706 /nfs/dbraw/zinc/11/47/06/315114706.db2.gz SMLLSIXYDGSOKA-SNVBAGLBSA-N 1 2 348.321 3.387 20 5 EGBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550064556 315114708 /nfs/dbraw/zinc/11/47/08/315114708.db2.gz SMLLSIXYDGSOKA-SNVBAGLBSA-N 1 2 348.321 3.387 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)CCc2ccccc2)cc1 ZINC000184706385 323672147 /nfs/dbraw/zinc/67/21/47/323672147.db2.gz ZDIAGRGYAZSLQJ-GOSISDBHSA-N 1 2 337.379 3.452 20 5 EGBDLO CC(C)Oc1nc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000578143572 324926795 /nfs/dbraw/zinc/92/67/95/324926795.db2.gz UPEPPBRVOWTZKL-ZFWWWQNUSA-N 1 2 345.403 3.061 20 5 EGBDLO Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000581581828 325373150 /nfs/dbraw/zinc/37/31/50/325373150.db2.gz YPTSACLVZHURRW-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000581581828 325373152 /nfs/dbraw/zinc/37/31/52/325373152.db2.gz YPTSACLVZHURRW-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007687094 453103855 /nfs/dbraw/zinc/10/38/55/453103855.db2.gz VPFXBIKNMNGHQB-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007687094 453103860 /nfs/dbraw/zinc/10/38/60/453103860.db2.gz VPFXBIKNMNGHQB-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025409198 453769738 /nfs/dbraw/zinc/76/97/38/453769738.db2.gz KOYRZQGVAJIEBZ-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000025409198 453769741 /nfs/dbraw/zinc/76/97/41/453769741.db2.gz KOYRZQGVAJIEBZ-AWEZNQCLSA-N 1 2 339.395 3.289 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000026347867 453797734 /nfs/dbraw/zinc/79/77/34/453797734.db2.gz IMTNTHQJPYYPTH-GOSISDBHSA-N 1 2 339.395 3.047 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000026347867 453797735 /nfs/dbraw/zinc/79/77/35/453797735.db2.gz IMTNTHQJPYYPTH-GOSISDBHSA-N 1 2 339.395 3.047 20 5 EGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026739467 453804747 /nfs/dbraw/zinc/80/47/47/453804747.db2.gz MZCKKYLMWFMSDI-OAHLLOKOSA-N 1 2 341.411 3.246 20 5 EGBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026739467 453804749 /nfs/dbraw/zinc/80/47/49/453804749.db2.gz MZCKKYLMWFMSDI-OAHLLOKOSA-N 1 2 341.411 3.246 20 5 EGBDLO O=C(C[N@H+](Cc1ccccc1F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000028732064 453824463 /nfs/dbraw/zinc/82/44/63/453824463.db2.gz MFKLLMCKXIMVCL-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO O=C(C[N@@H+](Cc1ccccc1F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000028732064 453824464 /nfs/dbraw/zinc/82/44/64/453824464.db2.gz MFKLLMCKXIMVCL-UHFFFAOYSA-N 1 2 343.358 3.337 20 5 EGBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000030004315 453833192 /nfs/dbraw/zinc/83/31/92/453833192.db2.gz OEJYVULHAZIMQL-CYBMUJFWSA-N 1 2 348.424 3.191 20 5 EGBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000030004315 453833193 /nfs/dbraw/zinc/83/31/93/453833193.db2.gz OEJYVULHAZIMQL-CYBMUJFWSA-N 1 2 348.424 3.191 20 5 EGBDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053124800 453859721 /nfs/dbraw/zinc/85/97/21/453859721.db2.gz VOWCPHGRMWFQHX-LBPRGKRZSA-N 1 2 331.347 3.365 20 5 EGBDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053124800 453859724 /nfs/dbraw/zinc/85/97/24/453859724.db2.gz VOWCPHGRMWFQHX-LBPRGKRZSA-N 1 2 331.347 3.365 20 5 EGBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000032845100 453893612 /nfs/dbraw/zinc/89/36/12/453893612.db2.gz SKIZFPCELOOJCS-OAHLLOKOSA-N 1 2 327.319 3.064 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438054 454100746 /nfs/dbraw/zinc/10/07/46/454100746.db2.gz JYHOKYFZDFOLJM-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438054 454100747 /nfs/dbraw/zinc/10/07/47/454100747.db2.gz JYHOKYFZDFOLJM-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO O=C(NCCCn1cc[nH+]c1)c1cc2ccccc2c2cccnc12 ZINC000077922448 454169549 /nfs/dbraw/zinc/16/95/49/454169549.db2.gz OCHHRQVTOBXPEJ-UHFFFAOYSA-N 1 2 330.391 3.405 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000070793834 454176998 /nfs/dbraw/zinc/17/69/98/454176998.db2.gz YLTMYNXCPPAVJQ-GOSISDBHSA-N 1 2 327.384 3.080 20 5 EGBDLO CC(C)[C@@H](C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000046443889 454252218 /nfs/dbraw/zinc/25/22/18/454252218.db2.gz ZPXODBXPFFZKEF-CYBMUJFWSA-N 1 2 342.399 3.430 20 5 EGBDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599701 454263861 /nfs/dbraw/zinc/26/38/61/454263861.db2.gz JQLQZXBGOSTWEZ-BBBYJDLNSA-N 1 2 333.432 3.110 20 5 EGBDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599701 454263869 /nfs/dbraw/zinc/26/38/69/454263869.db2.gz JQLQZXBGOSTWEZ-BBBYJDLNSA-N 1 2 333.432 3.110 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120191469 454269441 /nfs/dbraw/zinc/26/94/41/454269441.db2.gz UFGPYODHUKGENX-UHFFFAOYSA-N 1 2 343.387 3.277 20 5 EGBDLO C[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000072770369 454338165 /nfs/dbraw/zinc/33/81/65/454338165.db2.gz SKODVZADJQZXDN-UWVGGRQHSA-N 1 2 343.836 3.013 20 5 EGBDLO CC(C)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000063815680 454451257 /nfs/dbraw/zinc/45/12/57/454451257.db2.gz DYPCYNCWJBOQQO-AWEZNQCLSA-N 1 2 328.372 3.041 20 5 EGBDLO CCOC(=O)c1cc(C(=O)Nc2ccc(C)[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000121566225 454452893 /nfs/dbraw/zinc/45/28/93/454452893.db2.gz AEUNZZKEVDOPBR-UHFFFAOYSA-N 1 2 343.339 3.036 20 5 EGBDLO C[N@H+](CCC(F)(F)F)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000064635892 454495670 /nfs/dbraw/zinc/49/56/70/454495670.db2.gz KMESIQPRSHMKAR-UHFFFAOYSA-N 1 2 330.266 3.029 20 5 EGBDLO C[N@@H+](CCC(F)(F)F)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000064635892 454495676 /nfs/dbraw/zinc/49/56/76/454495676.db2.gz KMESIQPRSHMKAR-UHFFFAOYSA-N 1 2 330.266 3.029 20 5 EGBDLO COc1ccccc1C[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000160418589 455457036 /nfs/dbraw/zinc/45/70/36/455457036.db2.gz YDEHFEDOLKUSAY-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1ccccc1C[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000160418589 455457037 /nfs/dbraw/zinc/45/70/37/455457037.db2.gz YDEHFEDOLKUSAY-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)Cn1cc[nH+]c1 ZINC000092612525 454594357 /nfs/dbraw/zinc/59/43/57/454594357.db2.gz NSMZCWWHCOTSCN-JTQLQIEISA-N 1 2 326.303 3.141 20 5 EGBDLO Cc1c(NC(=O)CC[N@H+](CC(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000135373836 454669932 /nfs/dbraw/zinc/66/99/32/454669932.db2.gz VSNNIBBNWYQRDZ-UHFFFAOYSA-N 1 2 329.347 3.207 20 5 EGBDLO Cc1c(NC(=O)CC[N@@H+](CC(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000135373836 454669938 /nfs/dbraw/zinc/66/99/38/454669938.db2.gz VSNNIBBNWYQRDZ-UHFFFAOYSA-N 1 2 329.347 3.207 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1NCCCc1[nH+]c2ccccc2n1C ZINC000081018060 454670900 /nfs/dbraw/zinc/67/09/00/454670900.db2.gz DWBVMTASQHSYAE-UHFFFAOYSA-N 1 2 325.372 3.230 20 5 EGBDLO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135477189 454681510 /nfs/dbraw/zinc/68/15/10/454681510.db2.gz CDULMLUIRNAXRH-LLVKDONJSA-N 1 2 343.836 3.014 20 5 EGBDLO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135477189 454681512 /nfs/dbraw/zinc/68/15/12/454681512.db2.gz CDULMLUIRNAXRH-LLVKDONJSA-N 1 2 343.836 3.014 20 5 EGBDLO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccn1 ZINC000125319845 454814220 /nfs/dbraw/zinc/81/42/20/454814220.db2.gz BDPWAWZFCHKKIO-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccn1 ZINC000125319845 454814226 /nfs/dbraw/zinc/81/42/26/454814226.db2.gz BDPWAWZFCHKKIO-UHFFFAOYSA-N 1 2 339.355 3.062 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126161048 454874279 /nfs/dbraw/zinc/87/42/79/454874279.db2.gz GEHFLUGAURJBHS-LJQANCHMSA-N 1 2 342.395 3.485 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126161048 454874282 /nfs/dbraw/zinc/87/42/82/454874282.db2.gz GEHFLUGAURJBHS-LJQANCHMSA-N 1 2 342.395 3.485 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127973459 455014890 /nfs/dbraw/zinc/01/48/90/455014890.db2.gz NVXTVUFZYRMREU-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127973459 455014894 /nfs/dbraw/zinc/01/48/94/455014894.db2.gz NVXTVUFZYRMREU-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO COc1cc(C[N@@H+]2CCSC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000172589143 455163891 /nfs/dbraw/zinc/16/38/91/455163891.db2.gz SZPWESDXZZONDW-SECBINFHSA-N 1 2 348.371 3.142 20 5 EGBDLO COc1cc(C[N@H+]2CCSC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000172589143 455163893 /nfs/dbraw/zinc/16/38/93/455163893.db2.gz SZPWESDXZZONDW-SECBINFHSA-N 1 2 348.371 3.142 20 5 EGBDLO Cc1c([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cccc1[N+](=O)[O-] ZINC000182880340 455183188 /nfs/dbraw/zinc/18/31/88/455183188.db2.gz BKLYDDINQBOBAT-CQSZACIVSA-N 1 2 342.399 3.308 20 5 EGBDLO Cc1cnc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000265423298 455322281 /nfs/dbraw/zinc/32/22/81/455322281.db2.gz JYWKSWBNNOXABR-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO Cc1cnc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000265423300 455322331 /nfs/dbraw/zinc/32/23/31/455322331.db2.gz JYWKSWBNNOXABR-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181549917 455352803 /nfs/dbraw/zinc/35/28/03/455352803.db2.gz OUMSZGDWPJJXLN-GOSISDBHSA-N 1 2 342.395 3.047 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181549917 455352806 /nfs/dbraw/zinc/35/28/06/455352806.db2.gz OUMSZGDWPJJXLN-GOSISDBHSA-N 1 2 342.395 3.047 20 5 EGBDLO Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1O ZINC000174966692 455418827 /nfs/dbraw/zinc/41/88/27/455418827.db2.gz MGCLPNHOFWYMFG-UHFFFAOYSA-N 1 2 338.323 3.047 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000266653726 455431391 /nfs/dbraw/zinc/43/13/91/455431391.db2.gz KAAHWQYCFBJESZ-MRXNPFEDSA-N 1 2 328.372 3.007 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000266653726 455431395 /nfs/dbraw/zinc/43/13/95/455431395.db2.gz KAAHWQYCFBJESZ-MRXNPFEDSA-N 1 2 328.372 3.007 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000185110906 455503073 /nfs/dbraw/zinc/50/30/73/455503073.db2.gz ACABGLUAGLTQAD-HNNXBMFYSA-N 1 2 334.372 3.188 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1[nH+]c2ccccc2n1CC ZINC000192541787 455639363 /nfs/dbraw/zinc/63/93/63/455639363.db2.gz RVYDAPRDOHQINZ-UHFFFAOYSA-N 1 2 342.403 3.144 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000269044563 455773311 /nfs/dbraw/zinc/77/33/11/455773311.db2.gz MBQOFJYALIITBA-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000269044563 455773315 /nfs/dbraw/zinc/77/33/15/455773315.db2.gz MBQOFJYALIITBA-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000269044563 455773318 /nfs/dbraw/zinc/77/33/18/455773318.db2.gz MBQOFJYALIITBA-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000269044563 455773322 /nfs/dbraw/zinc/77/33/22/455773322.db2.gz MBQOFJYALIITBA-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000269044563 455773326 /nfs/dbraw/zinc/77/33/26/455773326.db2.gz MBQOFJYALIITBA-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000269044563 455773330 /nfs/dbraw/zinc/77/33/30/455773330.db2.gz MBQOFJYALIITBA-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO COc1cc(C[NH2+][C@H](C)c2c(F)cncc2F)c([N+](=O)[O-])cc1F ZINC000285881854 455934429 /nfs/dbraw/zinc/93/44/29/455934429.db2.gz YSYQFYJCYFJIMS-MRVPVSSYSA-N 1 2 341.289 3.267 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@@H]4CCC[C@H]43)co2)cc1 ZINC000270610735 455996316 /nfs/dbraw/zinc/99/63/16/455996316.db2.gz NHGQXWBFABHPRY-HZPDHXFCSA-N 1 2 329.356 3.003 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)co2)cc1 ZINC000270610735 455996318 /nfs/dbraw/zinc/99/63/18/455996318.db2.gz NHGQXWBFABHPRY-HZPDHXFCSA-N 1 2 329.356 3.003 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)cs2)c1 ZINC000271126986 456133177 /nfs/dbraw/zinc/13/31/77/456133177.db2.gz NCCKHYCYTUPMQK-CVEARBPZSA-N 1 2 345.424 3.472 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCO[C@H]4CCC[C@H]43)cs2)c1 ZINC000271126986 456133181 /nfs/dbraw/zinc/13/31/81/456133181.db2.gz NCCKHYCYTUPMQK-CVEARBPZSA-N 1 2 345.424 3.472 20 5 EGBDLO CC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000281820142 456331454 /nfs/dbraw/zinc/33/14/54/456331454.db2.gz JRIFHQGMSAIVOR-INIZCTEOSA-N 1 2 342.399 3.366 20 5 EGBDLO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ncn(C)n1 ZINC000275862139 456335008 /nfs/dbraw/zinc/33/50/08/456335008.db2.gz UGAONTATWINILV-NSHDSACASA-N 1 2 343.412 3.303 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000347731168 456334987 /nfs/dbraw/zinc/33/49/87/456334987.db2.gz ZWBQTRUSHQMVHU-KRWDZBQOSA-N 1 2 340.358 3.347 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1NCCCc1[nH]c3ccccc3[nH+]1)CCN2 ZINC000302393026 456338994 /nfs/dbraw/zinc/33/89/94/456338994.db2.gz CGKAQCKMTOCLPI-UHFFFAOYSA-N 1 2 337.383 3.484 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000347756670 456352467 /nfs/dbraw/zinc/35/24/67/456352467.db2.gz SZDJIUZPDHSSAA-KRWDZBQOSA-N 1 2 340.358 3.347 20 5 EGBDLO O=[N+]([O-])c1cc2cnn(Cc3cn4ccccc4[nH+]3)c2c(Cl)c1 ZINC000340858009 456723124 /nfs/dbraw/zinc/72/31/24/456723124.db2.gz WUALPRDIUUKGDJ-UHFFFAOYSA-N 1 2 327.731 3.294 20 5 EGBDLO O=[N+]([O-])c1cc2cnn(Cc3[nH+]ccn3C(F)F)c2c(Cl)c1 ZINC000340877367 456735403 /nfs/dbraw/zinc/73/54/03/456735403.db2.gz BACGLTPHQJGAHP-UHFFFAOYSA-N 1 2 327.678 3.238 20 5 EGBDLO Nc1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000283503286 456793251 /nfs/dbraw/zinc/79/32/51/456793251.db2.gz ITRGKFZSIIDBGC-UHFFFAOYSA-N 1 2 337.383 3.437 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000301183852 456815926 /nfs/dbraw/zinc/81/59/26/456815926.db2.gz OFSJFQZOZBIGMV-HNNXBMFYSA-N 1 2 347.440 3.450 20 5 EGBDLO C[C@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353669291 456843766 /nfs/dbraw/zinc/84/37/66/456843766.db2.gz IGVMGKSELSKZTD-MFKMUULPSA-N 1 2 342.321 3.206 20 5 EGBDLO C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000353669776 456844455 /nfs/dbraw/zinc/84/44/55/456844455.db2.gz FDYBHHHDZJXYEZ-GXFFZTMASA-N 1 2 342.321 3.206 20 5 EGBDLO CCc1oc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)OC ZINC000338950487 456871053 /nfs/dbraw/zinc/87/10/53/456871053.db2.gz XMZRCRMYTCMKDC-UHFFFAOYSA-N 1 2 344.367 3.095 20 5 EGBDLO CCc1oc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)OC ZINC000338950487 456871056 /nfs/dbraw/zinc/87/10/56/456871056.db2.gz XMZRCRMYTCMKDC-UHFFFAOYSA-N 1 2 344.367 3.095 20 5 EGBDLO COc1cc(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000339053652 456917289 /nfs/dbraw/zinc/91/72/89/456917289.db2.gz DLYKXMFXJDAXSV-UHFFFAOYSA-N 1 2 344.367 3.179 20 5 EGBDLO COc1cc(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)ccc1O ZINC000339053652 456917294 /nfs/dbraw/zinc/91/72/94/456917294.db2.gz DLYKXMFXJDAXSV-UHFFFAOYSA-N 1 2 344.367 3.179 20 5 EGBDLO COc1cc(C)c(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000356533408 457042240 /nfs/dbraw/zinc/04/22/40/457042240.db2.gz VSJVCUJCINUPHK-UHFFFAOYSA-N 1 2 343.383 3.010 20 5 EGBDLO COc1cc(C)c(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000356533408 457042245 /nfs/dbraw/zinc/04/22/45/457042245.db2.gz VSJVCUJCINUPHK-UHFFFAOYSA-N 1 2 343.383 3.010 20 5 EGBDLO CCc1ccc([C@H](NCC[NH+]2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346636061 457083730 /nfs/dbraw/zinc/08/37/30/457083730.db2.gz KNXRNCWWTRXINI-GOSISDBHSA-N 1 2 329.400 3.135 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000342228850 457181664 /nfs/dbraw/zinc/18/16/64/457181664.db2.gz LYFANBCHHJBSBG-NSHDSACASA-N 1 2 346.214 3.177 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000342228850 457181671 /nfs/dbraw/zinc/18/16/71/457181671.db2.gz LYFANBCHHJBSBG-NSHDSACASA-N 1 2 346.214 3.177 20 5 EGBDLO COc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000360005086 457197940 /nfs/dbraw/zinc/19/79/40/457197940.db2.gz RDUCTMDCECUEEL-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361055996 457548931 /nfs/dbraw/zinc/54/89/31/457548931.db2.gz GITFVIWMXVDCTG-UHFFFAOYSA-N 1 2 346.435 3.013 20 5 EGBDLO CC(C)(C)Oc1cc(NCC2([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000433792818 457887047 /nfs/dbraw/zinc/88/70/47/457887047.db2.gz JSDMYGBUBORCLM-UHFFFAOYSA-N 1 2 349.431 3.049 20 5 EGBDLO Cc1csc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)n1 ZINC000444687377 457938917 /nfs/dbraw/zinc/93/89/17/457938917.db2.gz GKVMOOZZMUSHBX-OAHLLOKOSA-N 1 2 343.412 3.477 20 5 EGBDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000444778275 457974285 /nfs/dbraw/zinc/97/42/85/457974285.db2.gz VRKLHOSFLUFIQR-QGZVFWFLSA-N 1 2 338.379 3.432 20 5 EGBDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000444778275 457974289 /nfs/dbraw/zinc/97/42/89/457974289.db2.gz VRKLHOSFLUFIQR-QGZVFWFLSA-N 1 2 338.379 3.432 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000411927535 458013076 /nfs/dbraw/zinc/01/30/76/458013076.db2.gz SITGMKHTLWUIQJ-DYVFJYSZSA-N 1 2 334.322 3.181 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000411927535 458013086 /nfs/dbraw/zinc/01/30/86/458013086.db2.gz SITGMKHTLWUIQJ-DYVFJYSZSA-N 1 2 334.322 3.181 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000375799061 458070356 /nfs/dbraw/zinc/07/03/56/458070356.db2.gz YBHSAFJYFQZNKM-INIZCTEOSA-N 1 2 332.356 3.030 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000375799061 458070359 /nfs/dbraw/zinc/07/03/59/458070359.db2.gz YBHSAFJYFQZNKM-INIZCTEOSA-N 1 2 332.356 3.030 20 5 EGBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348988 458120677 /nfs/dbraw/zinc/12/06/77/458120677.db2.gz PNIZMLJZUNDZKI-UHFFFAOYSA-N 1 2 341.346 3.166 20 5 EGBDLO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739614 458222127 /nfs/dbraw/zinc/22/21/27/458222127.db2.gz WNBRMRRFBRKOMA-HNNXBMFYSA-N 1 2 347.459 3.284 20 5 EGBDLO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446739614 458222132 /nfs/dbraw/zinc/22/21/32/458222132.db2.gz WNBRMRRFBRKOMA-HNNXBMFYSA-N 1 2 347.459 3.284 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000446901010 458243755 /nfs/dbraw/zinc/24/37/55/458243755.db2.gz UUVUDHMDFSFHNK-SFHVURJKSA-N 1 2 341.411 3.389 20 5 EGBDLO C[C@@H]1C[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000459126261 458270833 /nfs/dbraw/zinc/27/08/33/458270833.db2.gz WPPBJPLWFFJMCY-YPMHNXCESA-N 1 2 343.387 3.032 20 5 EGBDLO C[C@H](c1c(F)cccc1F)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459491299 458390218 /nfs/dbraw/zinc/39/02/18/458390218.db2.gz CQRJMYCUQBHLQJ-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)c(OC)c1 ZINC000430192779 458418204 /nfs/dbraw/zinc/41/82/04/458418204.db2.gz BVKCCSPRMFSSEP-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)c(OC)c1 ZINC000430192779 458418213 /nfs/dbraw/zinc/41/82/13/458418213.db2.gz BVKCCSPRMFSSEP-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000471168553 458683046 /nfs/dbraw/zinc/68/30/46/458683046.db2.gz IGVSUVWWBQEXEL-KRWDZBQOSA-N 1 2 325.368 3.289 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000471168553 458683052 /nfs/dbraw/zinc/68/30/52/458683052.db2.gz IGVSUVWWBQEXEL-KRWDZBQOSA-N 1 2 325.368 3.289 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000531656872 458955257 /nfs/dbraw/zinc/95/52/57/458955257.db2.gz WLSSMYSWKQUYHF-HZPDHXFCSA-N 1 2 339.823 3.304 20 5 EGBDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595340316 459280561 /nfs/dbraw/zinc/28/05/61/459280561.db2.gz FGMASVILMHZYCX-QHCPKHFHSA-N 1 2 336.388 3.103 20 5 EGBDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595340316 459280566 /nfs/dbraw/zinc/28/05/66/459280566.db2.gz FGMASVILMHZYCX-QHCPKHFHSA-N 1 2 336.388 3.103 20 5 EGBDLO Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c([N+](=O)[O-])s1 ZINC000596077933 459511148 /nfs/dbraw/zinc/51/11/48/459511148.db2.gz WUWQQNVBDWJHJM-NSHDSACASA-N 1 2 348.428 3.197 20 5 EGBDLO Cc1[nH+]c2cc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])ccc2n1C1CC1 ZINC000596265869 459580345 /nfs/dbraw/zinc/58/03/45/459580345.db2.gz WBBZMPMYBSVKNN-UHFFFAOYSA-N 1 2 339.355 3.301 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000527302907 459624746 /nfs/dbraw/zinc/62/47/46/459624746.db2.gz WYQULUSTCZXFLB-IKFRKZOMSA-N 1 2 334.416 3.124 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000527302907 459624752 /nfs/dbraw/zinc/62/47/52/459624752.db2.gz WYQULUSTCZXFLB-IKFRKZOMSA-N 1 2 334.416 3.124 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](CC)CO1 ZINC000593059347 459759245 /nfs/dbraw/zinc/75/92/45/459759245.db2.gz PIFPUUNSQUBWNS-DZGCQCFKSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](CC)CO1 ZINC000593059347 459759250 /nfs/dbraw/zinc/75/92/50/459759250.db2.gz PIFPUUNSQUBWNS-DZGCQCFKSA-N 1 2 346.387 3.034 20 5 EGBDLO Cc1cccn2cc(Cc3noc(-c4ccc([N+](=O)[O-])cc4)n3)[nH+]c12 ZINC000544618606 459772493 /nfs/dbraw/zinc/77/24/93/459772493.db2.gz CBVSTGLYYPSKRH-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)c(Cl)c1 ZINC000585743483 459839658 /nfs/dbraw/zinc/83/96/58/459839658.db2.gz ZVWNLEJQOYJEAG-UHFFFAOYSA-N 1 2 330.775 3.457 20 5 EGBDLO Cc1nc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cs1 ZINC000602510475 459974826 /nfs/dbraw/zinc/97/48/26/459974826.db2.gz JNJRHAYUZQJPTQ-UHFFFAOYSA-N 1 2 348.247 3.474 20 5 EGBDLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602606587 460019017 /nfs/dbraw/zinc/01/90/17/460019017.db2.gz BENRDMYUKIWFNL-SNVBAGLBSA-N 1 2 349.250 3.154 20 5 EGBDLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602606587 460019023 /nfs/dbraw/zinc/01/90/23/460019023.db2.gz BENRDMYUKIWFNL-SNVBAGLBSA-N 1 2 349.250 3.154 20 5 EGBDLO CS[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602678041 460061824 /nfs/dbraw/zinc/06/18/24/460061824.db2.gz ANJJKFMPKXTAFK-SSDOTTSWSA-N 1 2 337.264 3.356 20 5 EGBDLO CS[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602678041 460061828 /nfs/dbraw/zinc/06/18/28/460061828.db2.gz ANJJKFMPKXTAFK-SSDOTTSWSA-N 1 2 337.264 3.356 20 5 EGBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])s2)cc1 ZINC000610514411 460171642 /nfs/dbraw/zinc/17/16/42/460171642.db2.gz PHRYHJJGPPVHGO-OAHLLOKOSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000611409165 460358139 /nfs/dbraw/zinc/35/81/39/460358139.db2.gz VYDILYDYSOEMSB-SECBINFHSA-N 1 2 343.343 3.100 20 5 EGBDLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444732 460367501 /nfs/dbraw/zinc/36/75/01/460367501.db2.gz YIIFGBWYSWKIAB-AWEZNQCLSA-N 1 2 337.383 3.489 20 5 EGBDLO O=[N+]([O-])c1ccsc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601241094 460763731 /nfs/dbraw/zinc/76/37/31/460763731.db2.gz XFKCSAHWXDBDAG-UHFFFAOYSA-N 1 2 336.442 3.217 20 5 EGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000184461435 535303354 /nfs/dbraw/zinc/30/33/54/535303354.db2.gz NLXPRSJNJZQYJO-ZDUSSCGKSA-N 1 2 338.379 3.288 20 5 EGBDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000184461435 535303364 /nfs/dbraw/zinc/30/33/64/535303364.db2.gz NLXPRSJNJZQYJO-ZDUSSCGKSA-N 1 2 338.379 3.288 20 5 EGBDLO Cc1ccc2[nH+]c(COC(=O)c3cc(F)cc([N+](=O)[O-])c3)cn2c1 ZINC000731529259 575079482 /nfs/dbraw/zinc/07/94/82/575079482.db2.gz PSDUKRDFQWNMLF-UHFFFAOYSA-N 1 2 329.287 3.047 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)cn2c1 ZINC000732576196 575276811 /nfs/dbraw/zinc/27/68/11/575276811.db2.gz ZHZRRFKDKFKNSU-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000736743732 576017617 /nfs/dbraw/zinc/01/76/17/576017617.db2.gz YYHPUQHATJHAME-UHFFFAOYSA-N 1 2 330.340 3.281 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000745098193 576841090 /nfs/dbraw/zinc/84/10/90/576841090.db2.gz BBPAECCNFQOARG-GOSISDBHSA-N 1 2 342.395 3.374 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000745098193 576841091 /nfs/dbraw/zinc/84/10/91/576841091.db2.gz BBPAECCNFQOARG-GOSISDBHSA-N 1 2 342.395 3.374 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000745388006 576847227 /nfs/dbraw/zinc/84/72/27/576847227.db2.gz PQTWKJNPDFMWFF-UHFFFAOYSA-N 1 2 325.324 3.216 20 5 EGBDLO Cc1nn(C[N@H+](C)CCOc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000070827123 1292261358 /nfs/dbraw/zinc/26/13/58/1292261358.db2.gz YUHJPMIYYXNPFC-UHFFFAOYSA-N 1 2 338.795 3.030 20 5 EGBDLO Cc1nn(C[N@@H+](C)CCOc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000070827123 1292261367 /nfs/dbraw/zinc/26/13/67/1292261367.db2.gz YUHJPMIYYXNPFC-UHFFFAOYSA-N 1 2 338.795 3.030 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000080970734 1292632879 /nfs/dbraw/zinc/63/28/79/1292632879.db2.gz TXDPUSXWTORQJO-UHFFFAOYSA-N 1 2 345.399 3.398 20 5 EGBDLO CSCCCCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835299946 1293256114 /nfs/dbraw/zinc/25/61/14/1293256114.db2.gz JGXNFYZLSBUGNQ-UHFFFAOYSA-N 1 2 349.412 3.471 20 5 EGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cccc(F)n2)c1 ZINC000747936866 1298894153 /nfs/dbraw/zinc/89/41/53/1298894153.db2.gz AWWCGFNXVZSTAL-UHFFFAOYSA-N 1 2 327.262 3.020 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N[C@@H]3CCN(c4cccc[nH+]4)C3)sc2c1 ZINC000753820060 1300024878 /nfs/dbraw/zinc/02/48/78/1300024878.db2.gz JEQIHQGOYDWJHT-LLVKDONJSA-N 1 2 341.396 3.290 20 5 EGBDLO Cc1nn(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000779861119 1304616253 /nfs/dbraw/zinc/61/62/53/1304616253.db2.gz NUFOWDMVZABRPT-UHFFFAOYSA-N 1 2 336.342 3.215 20 5 EGBDLO O=[N+]([O-])c1ccc2ncnc(NCc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC000782135230 1304918744 /nfs/dbraw/zinc/91/87/44/1304918744.db2.gz HWGJRXGXZJBLLB-UHFFFAOYSA-N 1 2 346.350 3.336 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2c1 ZINC000788570947 1305974194 /nfs/dbraw/zinc/97/41/94/1305974194.db2.gz HBVLUGVBIQEPJG-CYBMUJFWSA-N 1 2 342.380 3.257 20 5 EGBDLO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000894465987 1308904255 /nfs/dbraw/zinc/90/42/55/1308904255.db2.gz SPGIFMVSKDMSNE-UHFFFAOYSA-N 1 2 338.747 3.308 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895354330 1309296995 /nfs/dbraw/zinc/29/69/95/1309296995.db2.gz XROJWVOLEJCWIY-UHFFFAOYSA-N 1 2 342.399 3.217 20 5 EGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000793786856 1309440798 /nfs/dbraw/zinc/44/07/98/1309440798.db2.gz CPDSKJKMPLMXPP-CQSZACIVSA-N 1 2 338.820 3.269 20 5 EGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000793786856 1309440802 /nfs/dbraw/zinc/44/08/02/1309440802.db2.gz CPDSKJKMPLMXPP-CQSZACIVSA-N 1 2 338.820 3.269 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000794616622 1309555426 /nfs/dbraw/zinc/55/54/26/1309555426.db2.gz MVMLVZMOXBCNET-NSHDSACASA-N 1 2 345.380 3.359 20 5 EGBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000794616622 1309555430 /nfs/dbraw/zinc/55/54/30/1309555430.db2.gz MVMLVZMOXBCNET-NSHDSACASA-N 1 2 345.380 3.359 20 5 EGBDLO C[C@H]1C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H]1c1ccccc1 ZINC000794635138 1309562733 /nfs/dbraw/zinc/56/27/33/1309562733.db2.gz CUBZBCLLNUWFKE-BLLLJJGKSA-N 1 2 339.351 3.153 20 5 EGBDLO C[C@H]1C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H]1c1ccccc1 ZINC000794635138 1309562739 /nfs/dbraw/zinc/56/27/39/1309562739.db2.gz CUBZBCLLNUWFKE-BLLLJJGKSA-N 1 2 339.351 3.153 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000898312327 1310673778 /nfs/dbraw/zinc/67/37/78/1310673778.db2.gz AWAKBIFKAPZRRA-UHFFFAOYSA-N 1 2 348.428 3.454 20 5 EGBDLO CCc1ccc([C@@H](NC[C@H]2CC[N@@H+]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319476 1317686905 /nfs/dbraw/zinc/68/69/05/1317686905.db2.gz ZVPAIYXTPPDKMN-QAPCUYQASA-N 1 2 329.400 3.133 20 5 EGBDLO CCc1ccc([C@@H](NC[C@H]2CC[N@H+]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319476 1317686911 /nfs/dbraw/zinc/68/69/11/1317686911.db2.gz ZVPAIYXTPPDKMN-QAPCUYQASA-N 1 2 329.400 3.133 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)cc1Cl ZINC000809755749 1317891292 /nfs/dbraw/zinc/89/12/92/1317891292.db2.gz BVOROGBSEJOHSE-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)F)CC2)cc1Cl ZINC000809755749 1317891299 /nfs/dbraw/zinc/89/12/99/1317891299.db2.gz BVOROGBSEJOHSE-UHFFFAOYSA-N 1 2 333.766 3.021 20 5 EGBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811082972 1318103991 /nfs/dbraw/zinc/10/39/91/1318103991.db2.gz DNXAETQHIKVPDZ-LBPRGKRZSA-N 1 2 347.198 3.429 20 5 EGBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811082972 1318103996 /nfs/dbraw/zinc/10/39/96/1318103996.db2.gz DNXAETQHIKVPDZ-LBPRGKRZSA-N 1 2 347.198 3.429 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000811497798 1318186341 /nfs/dbraw/zinc/18/63/41/1318186341.db2.gz FBVFPENUIUENLU-VIFPVBQESA-N 1 2 331.199 3.370 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151832 1319609509 /nfs/dbraw/zinc/60/95/09/1319609509.db2.gz LRONTFXZVPLWKB-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151832 1319609516 /nfs/dbraw/zinc/60/95/16/1319609516.db2.gz LRONTFXZVPLWKB-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1c(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000917756009 1319867791 /nfs/dbraw/zinc/86/77/91/1319867791.db2.gz RMIIPZDEBCIRGA-UHFFFAOYSA-N 1 2 337.335 3.367 20 5 EGBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000867628199 1330211654 /nfs/dbraw/zinc/21/16/54/1330211654.db2.gz SMRRSFHAZVUIND-UHFFFAOYSA-N 1 2 349.412 3.294 20 5 EGBDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029215367 1340956380 /nfs/dbraw/zinc/95/63/80/1340956380.db2.gz KDMXQJMDWFPKOZ-HDICACEKSA-N 1 2 345.443 3.206 20 5 EGBDLO CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029215367 1340956381 /nfs/dbraw/zinc/95/63/81/1340956381.db2.gz KDMXQJMDWFPKOZ-HDICACEKSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039502237 1345117743 /nfs/dbraw/zinc/11/77/43/1345117743.db2.gz WUHMXGRGVWQLCB-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO CC(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001039502237 1345117746 /nfs/dbraw/zinc/11/77/46/1345117746.db2.gz WUHMXGRGVWQLCB-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO C[N@H+](CCC(F)(F)F)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC001324872527 1387799127 /nfs/dbraw/zinc/79/91/27/1387799127.db2.gz MLNRXMQDYYACRO-UHFFFAOYSA-N 1 2 336.701 3.440 20 5 EGBDLO C[N@@H+](CCC(F)(F)F)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC001324872527 1387799129 /nfs/dbraw/zinc/79/91/29/1387799129.db2.gz MLNRXMQDYYACRO-UHFFFAOYSA-N 1 2 336.701 3.440 20 5 EGBDLO O=[N+]([O-])c1cc(Nc2c[nH+]c3ccc(Br)cn23)ccc1O ZINC001210392698 1372341343 /nfs/dbraw/zinc/34/13/43/1372341343.db2.gz IFNYXHZMGIOJFV-UHFFFAOYSA-N 1 2 349.144 3.454 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC001218005282 1373533356 /nfs/dbraw/zinc/53/33/56/1373533356.db2.gz FVJDIWGSRAEQBN-VIFPVBQESA-N 1 2 327.114 3.278 20 5 EGBDLO CCC(C)(C)C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001228934943 1375720375 /nfs/dbraw/zinc/72/03/75/1375720375.db2.gz IJXPHLWABYEAKQ-UHFFFAOYSA-N 1 2 339.461 3.173 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC001162129489 1382634122 /nfs/dbraw/zinc/63/41/22/1382634122.db2.gz HLUNVJRDAHOMDQ-UHFFFAOYSA-N 1 2 330.388 3.400 20 5 EGBDLO Nc1cc(CNc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001167617110 1383689768 /nfs/dbraw/zinc/68/97/68/1383689768.db2.gz HCRLVZILNRCWTC-UHFFFAOYSA-N 1 2 328.250 3.083 20 5 EGBDLO Cc1nc([C@@H]2CCCC[N@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173226048 1384939756 /nfs/dbraw/zinc/93/97/56/1384939756.db2.gz HGDCQCCXNCXUGU-LRDDRELGSA-N 1 2 330.388 3.444 20 5 EGBDLO Cc1nc([C@@H]2CCCC[N@@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173226048 1384939765 /nfs/dbraw/zinc/93/97/65/1384939765.db2.gz HGDCQCCXNCXUGU-LRDDRELGSA-N 1 2 330.388 3.444 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001334537749 1390554358 /nfs/dbraw/zinc/55/43/58/1390554358.db2.gz LZAAJIZRWRNPRV-UHFFFAOYSA-N 1 2 334.401 3.145 20 5 EGBDLO CC/C=C(\C)C(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001755881758 1440939629 /nfs/dbraw/zinc/93/96/29/1440939629.db2.gz SYYPXJGQRMAUCV-YIXHJXPBSA-N 1 2 349.456 3.261 20 5 EGBDLO CC/C=C(\C)C(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001755881758 1440939630 /nfs/dbraw/zinc/93/96/30/1440939630.db2.gz SYYPXJGQRMAUCV-YIXHJXPBSA-N 1 2 349.456 3.261 20 5 EGBDLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066564921 215054757 /nfs/dbraw/zinc/05/47/57/215054757.db2.gz SJMQEDCTIGHLGZ-GFCCVEGCSA-N 1 2 348.428 3.127 20 5 EGBDLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066564921 215054760 /nfs/dbraw/zinc/05/47/60/215054760.db2.gz SJMQEDCTIGHLGZ-GFCCVEGCSA-N 1 2 348.428 3.127 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[NH2+]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000184435738 235397399 /nfs/dbraw/zinc/39/73/99/235397399.db2.gz GMRQPMGKFBQIFK-GOSISDBHSA-N 1 2 328.368 3.417 20 5 EGBDLO Cn1cc([C@@H]2CSCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000191737922 239274287 /nfs/dbraw/zinc/27/42/87/239274287.db2.gz NXYMKWJDPHBQBJ-YXMMZVCTSA-N 1 2 344.440 3.132 20 5 EGBDLO Cn1cc([C@@H]2CSCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000191737922 239274292 /nfs/dbraw/zinc/27/42/92/239274292.db2.gz NXYMKWJDPHBQBJ-YXMMZVCTSA-N 1 2 344.440 3.132 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000111376349 220148927 /nfs/dbraw/zinc/14/89/27/220148927.db2.gz VPAFBWDMOXVKQD-GHMZBOCLSA-N 1 2 348.428 3.292 20 5 EGBDLO CSc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000378518788 169134629 /nfs/dbraw/zinc/13/46/29/169134629.db2.gz NVVZFRVQASSMGP-NSHDSACASA-N 1 2 332.385 3.017 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000346209498 141180851 /nfs/dbraw/zinc/18/08/51/141180851.db2.gz SOOUZPWOONHSAC-UHFFFAOYSA-N 1 2 336.351 3.400 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000178226185 144067042 /nfs/dbraw/zinc/06/70/42/144067042.db2.gz NRXHNQLUENVLCM-CQSZACIVSA-N 1 2 336.342 3.291 20 5 EGBDLO COc1cc(NC[C@H]2CCCn3cc(C)[nH+]c32)c(F)cc1[N+](=O)[O-] ZINC000351499861 144269954 /nfs/dbraw/zinc/26/99/54/144269954.db2.gz CYVCZPNUTZOHEY-LLVKDONJSA-N 1 2 334.351 3.237 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000119865974 152234957 /nfs/dbraw/zinc/23/49/57/152234957.db2.gz FQOCENYRPMJMHB-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO COc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1 ZINC000093338301 162003221 /nfs/dbraw/zinc/00/32/21/162003221.db2.gz OIDIKKHECZYGQK-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1 ZINC000093338301 162003225 /nfs/dbraw/zinc/00/32/25/162003225.db2.gz OIDIKKHECZYGQK-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000338885426 163374164 /nfs/dbraw/zinc/37/41/64/163374164.db2.gz HLSBUIMZVIDSRW-UHFFFAOYSA-N 1 2 342.395 3.482 20 5 EGBDLO CCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000347618216 164532246 /nfs/dbraw/zinc/53/22/46/164532246.db2.gz VQDKWEFFHUDZKM-AWEZNQCLSA-N 1 2 325.372 3.269 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000355299925 166157449 /nfs/dbraw/zinc/15/74/49/166157449.db2.gz RIEAVJXLMGUNKT-UHFFFAOYSA-N 1 2 328.353 3.217 20 5 EGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cn3ccccc3[nH+]2)c1 ZINC000176871914 265209314 /nfs/dbraw/zinc/20/93/14/265209314.db2.gz SUHUHDKTCILXDO-UHFFFAOYSA-N 1 2 334.282 3.456 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(NCc2cc[nH+]c(N3CCCC3)c2)c(F)c1 ZINC000269647595 266333462 /nfs/dbraw/zinc/33/34/62/266333462.db2.gz PTCGLUDWUOMJTE-UHFFFAOYSA-N 1 2 334.326 3.480 20 5 EGBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000269649118 266333579 /nfs/dbraw/zinc/33/35/79/266333579.db2.gz LRLJOHVRWVQKMI-JLZZUVOBSA-N 1 2 348.424 3.152 20 5 EGBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000269649118 266333583 /nfs/dbraw/zinc/33/35/83/266333583.db2.gz LRLJOHVRWVQKMI-JLZZUVOBSA-N 1 2 348.424 3.152 20 5 EGBDLO Cn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C(F)F)n1 ZINC000274468049 267242962 /nfs/dbraw/zinc/24/29/62/267242962.db2.gz IZYDCNRETLCKMB-UHFFFAOYSA-N 1 2 336.342 3.431 20 5 EGBDLO Cn1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C(F)F)n1 ZINC000274468049 267242965 /nfs/dbraw/zinc/24/29/65/267242965.db2.gz IZYDCNRETLCKMB-UHFFFAOYSA-N 1 2 336.342 3.431 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C2CC2)O1 ZINC000279211599 275312915 /nfs/dbraw/zinc/31/29/15/275312915.db2.gz BVDSYMDQUUIOOC-PXAZEXFGSA-N 1 2 343.383 3.249 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C2CC2)O1 ZINC000279211599 275312916 /nfs/dbraw/zinc/31/29/16/275312916.db2.gz BVDSYMDQUUIOOC-PXAZEXFGSA-N 1 2 343.383 3.249 20 5 EGBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(n2cc[nH+]c2)CC1 ZINC000283831859 275755624 /nfs/dbraw/zinc/75/56/24/275755624.db2.gz GWXQNKURCCOEQD-UHFFFAOYSA-N 1 2 349.778 3.314 20 5 EGBDLO Cc1cc(NCCC2(O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286746211 276039421 /nfs/dbraw/zinc/03/94/21/276039421.db2.gz NZMUZESNMUFWSW-UHFFFAOYSA-N 1 2 328.372 3.077 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000288279085 276196645 /nfs/dbraw/zinc/19/66/45/276196645.db2.gz ZWNKSALXNXYLTK-UHFFFAOYSA-N 1 2 344.419 3.117 20 5 EGBDLO C[C@@H](O)c1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000289222775 276306652 /nfs/dbraw/zinc/30/66/52/276306652.db2.gz XTZQMBOFCQUPFF-LLVKDONJSA-N 1 2 333.413 3.269 20 5 EGBDLO C[C@@H](O)c1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000289222775 276306654 /nfs/dbraw/zinc/30/66/54/276306654.db2.gz XTZQMBOFCQUPFF-LLVKDONJSA-N 1 2 333.413 3.269 20 5 EGBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901395 279043294 /nfs/dbraw/zinc/04/32/94/279043294.db2.gz XNPREWNJOPIYID-QGZVFWFLSA-N 1 2 345.399 3.497 20 5 EGBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901395 279043297 /nfs/dbraw/zinc/04/32/97/279043297.db2.gz XNPREWNJOPIYID-QGZVFWFLSA-N 1 2 345.399 3.497 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000340774355 281010113 /nfs/dbraw/zinc/01/01/13/281010113.db2.gz GTJJRZNGCOROFZ-UHFFFAOYSA-N 1 2 329.404 3.192 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000266524016 290267203 /nfs/dbraw/zinc/26/72/03/290267203.db2.gz JUXQCZCESMSVHP-JKSUJKDBSA-N 1 2 340.427 3.430 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000266524016 290267206 /nfs/dbraw/zinc/26/72/06/290267206.db2.gz JUXQCZCESMSVHP-JKSUJKDBSA-N 1 2 340.427 3.430 20 5 EGBDLO C[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000295015537 308282039 /nfs/dbraw/zinc/28/20/39/308282039.db2.gz UFEROZCOELKLHY-LBPRGKRZSA-N 1 2 345.428 3.111 20 5 EGBDLO C[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000295015537 308282040 /nfs/dbraw/zinc/28/20/40/308282040.db2.gz UFEROZCOELKLHY-LBPRGKRZSA-N 1 2 345.428 3.111 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(c2nc3ccccc3cc2[N+](=O)[O-])CC1(C)C ZINC000295896207 308372176 /nfs/dbraw/zinc/37/21/76/308372176.db2.gz BZXLIFVEQFPEMG-OAHLLOKOSA-N 1 2 337.383 3.464 20 5 EGBDLO Cc1ccnc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000301257432 308693741 /nfs/dbraw/zinc/69/37/41/308693741.db2.gz DTEIFJMVKLBNJX-CYBMUJFWSA-N 1 2 336.342 3.291 20 5 EGBDLO Cc1cc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000420817039 309296376 /nfs/dbraw/zinc/29/63/76/309296376.db2.gz JXMLXTCHQLUEJH-ZDUSSCGKSA-N 1 2 328.372 3.167 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421111503 309313828 /nfs/dbraw/zinc/31/38/28/309313828.db2.gz KOASWBKPWWQKSI-UHFFFAOYSA-N 1 2 328.372 3.491 20 5 EGBDLO CCCc1csc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000426054497 309498625 /nfs/dbraw/zinc/49/86/25/309498625.db2.gz JFURGLDCDLTLRP-UHFFFAOYSA-N 1 2 346.456 3.326 20 5 EGBDLO CC(C)C1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447809498 309989286 /nfs/dbraw/zinc/98/92/86/309989286.db2.gz ZLWXOJJVUONOHS-UHFFFAOYSA-N 1 2 333.432 3.275 20 5 EGBDLO C[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448665087 310011403 /nfs/dbraw/zinc/01/14/03/310011403.db2.gz PJZYNBFFWKPGQK-GXTWGEPZSA-N 1 2 328.372 3.089 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000449416048 310060074 /nfs/dbraw/zinc/06/00/74/310060074.db2.gz RLTREFMWJVBGHL-IOBAAEILSA-N 1 2 326.400 3.425 20 5 EGBDLO CC[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450096450 310103053 /nfs/dbraw/zinc/10/30/53/310103053.db2.gz IIXJSIASEMZFJE-JSGCOSHPSA-N 1 2 328.372 3.089 20 5 EGBDLO CC[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450096449 310103075 /nfs/dbraw/zinc/10/30/75/310103075.db2.gz IIXJSIASEMZFJE-GXTWGEPZSA-N 1 2 328.372 3.089 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1(C)C ZINC000452454927 310228401 /nfs/dbraw/zinc/22/84/01/310228401.db2.gz WGOVRGMNENFYCY-ZDUSSCGKSA-N 1 2 348.790 3.205 20 5 EGBDLO CCOC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000490426935 311141686 /nfs/dbraw/zinc/14/16/86/311141686.db2.gz BJGHAHFUJQRJTO-UHFFFAOYSA-N 1 2 338.379 3.432 20 5 EGBDLO CCOC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000490426935 311141688 /nfs/dbraw/zinc/14/16/88/311141688.db2.gz BJGHAHFUJQRJTO-UHFFFAOYSA-N 1 2 338.379 3.432 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000493252981 311349593 /nfs/dbraw/zinc/34/95/93/311349593.db2.gz IIJAQPNQFWYPFS-GFCCVEGCSA-N 1 2 338.713 3.137 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000493252981 311349595 /nfs/dbraw/zinc/34/95/95/311349595.db2.gz IIJAQPNQFWYPFS-GFCCVEGCSA-N 1 2 338.713 3.137 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493644651 311408369 /nfs/dbraw/zinc/40/83/69/311408369.db2.gz NWEZVJMUOVAHIK-JPVGGKMYSA-N 1 2 348.790 3.355 20 5 EGBDLO CCOC(=O)C[N@H+](CC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000536647447 314134398 /nfs/dbraw/zinc/13/43/98/314134398.db2.gz FTULUMNATKHOCN-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000536647447 314134399 /nfs/dbraw/zinc/13/43/99/314134399.db2.gz FTULUMNATKHOCN-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000539123008 314298016 /nfs/dbraw/zinc/29/80/16/314298016.db2.gz XPWPVQZNLDYHCF-LLVKDONJSA-N 1 2 341.346 3.370 20 5 EGBDLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000539123008 314298021 /nfs/dbraw/zinc/29/80/21/314298021.db2.gz XPWPVQZNLDYHCF-LLVKDONJSA-N 1 2 341.346 3.370 20 5 EGBDLO Cc1cc(NC[C@H]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000540027124 314358722 /nfs/dbraw/zinc/35/87/22/314358722.db2.gz DGLPBXZIQABQLF-KGLIPLIRSA-N 1 2 342.399 3.009 20 5 EGBDLO O=[N+]([O-])c1ccc(/C=C/c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000545015700 314729989 /nfs/dbraw/zinc/72/99/89/314729989.db2.gz YAJGPXYFFZGPKB-RMKNXTFCSA-N 1 2 347.334 3.387 20 5 EGBDLO Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549489281 315093959 /nfs/dbraw/zinc/09/39/59/315093959.db2.gz UQHMOLLHAJSPBJ-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549489281 315093960 /nfs/dbraw/zinc/09/39/60/315093960.db2.gz UQHMOLLHAJSPBJ-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000558002828 315545301 /nfs/dbraw/zinc/54/53/01/315545301.db2.gz OOJMBPWIEVIYTH-CQSZACIVSA-N 1 2 340.387 3.055 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000565227400 316295600 /nfs/dbraw/zinc/29/56/00/316295600.db2.gz YKMGHFTUAMCASM-UHFFFAOYSA-N 1 2 337.383 3.096 20 5 EGBDLO C[C@H](C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000565933799 316389583 /nfs/dbraw/zinc/38/95/83/316389583.db2.gz QHRLQBXYRNEBNW-WFASDCNBSA-N 1 2 342.399 3.042 20 5 EGBDLO C[C@H](CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC000572044356 317282889 /nfs/dbraw/zinc/28/28/89/317282889.db2.gz FPVUOANEZFCWMX-ZBFHGGJFSA-N 1 2 342.399 3.149 20 5 EGBDLO CCn1cc[nH+]c1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000572489388 317347136 /nfs/dbraw/zinc/34/71/36/317347136.db2.gz RAIZBZBANMZVMG-CYBMUJFWSA-N 1 2 328.294 3.204 20 5 EGBDLO Cc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000182872164 323580788 /nfs/dbraw/zinc/58/07/88/323580788.db2.gz PIWDGTQRSYAEBJ-AWEZNQCLSA-N 1 2 342.399 3.308 20 5 EGBDLO CCC[C@@H](OC)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351137774 324178493 /nfs/dbraw/zinc/17/84/93/324178493.db2.gz VUFJQJFNVFRLQI-CQSZACIVSA-N 1 2 343.343 3.318 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H](NCCCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000575754192 324473415 /nfs/dbraw/zinc/47/34/15/324473415.db2.gz OGGUADYHLMWBGZ-AWEZNQCLSA-N 1 2 342.321 3.465 20 5 EGBDLO C[C@@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)c1cccc([N+](=O)[O-])c1 ZINC000575835266 324489048 /nfs/dbraw/zinc/48/90/48/324489048.db2.gz YLRQIHUBXFPQAI-GFCCVEGCSA-N 1 2 349.350 3.368 20 5 EGBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000024283843 453729850 /nfs/dbraw/zinc/72/98/50/453729850.db2.gz VYEPYMMKCHLHNJ-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(F)cc1F ZINC000024953857 453752244 /nfs/dbraw/zinc/75/22/44/453752244.db2.gz JODRXIJVLITNJR-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024953857 453752246 /nfs/dbraw/zinc/75/22/46/453752246.db2.gz JODRXIJVLITNJR-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066847680 453879605 /nfs/dbraw/zinc/87/96/05/453879605.db2.gz AISKMDDPSDZSIQ-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066847680 453879606 /nfs/dbraw/zinc/87/96/06/453879606.db2.gz AISKMDDPSDZSIQ-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000054389961 453928160 /nfs/dbraw/zinc/92/81/60/453928160.db2.gz YUEAVDWVFSYILP-UHFFFAOYSA-N 1 2 325.368 3.112 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000054389961 453928163 /nfs/dbraw/zinc/92/81/63/453928163.db2.gz YUEAVDWVFSYILP-UHFFFAOYSA-N 1 2 325.368 3.112 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000083169295 453940505 /nfs/dbraw/zinc/94/05/05/453940505.db2.gz AHSUKDBGZFEWIU-UHFFFAOYSA-N 1 2 339.351 3.303 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000083169295 453940509 /nfs/dbraw/zinc/94/05/09/453940509.db2.gz AHSUKDBGZFEWIU-UHFFFAOYSA-N 1 2 339.351 3.303 20 5 EGBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000069066667 454076386 /nfs/dbraw/zinc/07/63/86/454076386.db2.gz JQYFCPPBJKZDCS-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000069066667 454076389 /nfs/dbraw/zinc/07/63/89/454076389.db2.gz JQYFCPPBJKZDCS-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605604 454114903 /nfs/dbraw/zinc/11/49/03/454114903.db2.gz BJEUBJJCKFALKS-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605604 454114905 /nfs/dbraw/zinc/11/49/05/454114905.db2.gz BJEUBJJCKFALKS-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000058958505 454248539 /nfs/dbraw/zinc/24/85/39/454248539.db2.gz CAGVOKIBNNLNFK-UHFFFAOYSA-N 1 2 343.383 3.196 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000091927523 454490644 /nfs/dbraw/zinc/49/06/44/454490644.db2.gz JMPTZJZPVFLSOR-ROUUACIJSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000091927523 454490649 /nfs/dbraw/zinc/49/06/49/454490649.db2.gz JMPTZJZPVFLSOR-ROUUACIJSA-N 1 2 334.416 3.098 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@H+](CC)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000102408814 454503218 /nfs/dbraw/zinc/50/32/18/454503218.db2.gz RSOOZNXWWJSQFU-UHFFFAOYSA-N 1 2 347.371 3.047 20 5 EGBDLO CCOc1ccc(NC(=O)C[N@@H+](CC)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000102408814 454503224 /nfs/dbraw/zinc/50/32/24/454503224.db2.gz RSOOZNXWWJSQFU-UHFFFAOYSA-N 1 2 347.371 3.047 20 5 EGBDLO Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)ncc1[N+](=O)[O-] ZINC000080598782 454604281 /nfs/dbraw/zinc/60/42/81/454604281.db2.gz MTTXRGNFZRGBTA-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000065947170 454643699 /nfs/dbraw/zinc/64/36/99/454643699.db2.gz MFGIUWWKYBLZIW-UHFFFAOYSA-N 1 2 338.367 3.058 20 5 EGBDLO Cc1cc([NH+](C)C)ccc1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000052242397 454663412 /nfs/dbraw/zinc/66/34/12/454663412.db2.gz YUDIJERYSMYDBD-UHFFFAOYSA-N 1 2 349.412 3.116 20 5 EGBDLO CCc1cc(NCC(C)(C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000135601865 454693378 /nfs/dbraw/zinc/69/33/78/454693378.db2.gz IDIOFSJTWRNIEU-UHFFFAOYSA-N 1 2 330.388 3.045 20 5 EGBDLO CCc1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000081213424 454696048 /nfs/dbraw/zinc/69/60/48/454696048.db2.gz DWMWZCQCTHTSMG-UHFFFAOYSA-N 1 2 343.368 3.052 20 5 EGBDLO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000139013881 454801225 /nfs/dbraw/zinc/80/12/25/454801225.db2.gz UTQTUXBQTRRMBH-SFHVURJKSA-N 1 2 341.411 3.294 20 5 EGBDLO CC[C@H](Nc1ncc([N+](=O)[O-])c(C)c1Br)c1[nH]cc[nH+]1 ZINC000139794151 454811537 /nfs/dbraw/zinc/81/15/37/454811537.db2.gz RXBICNUHBDKRAV-QMMMGPOBSA-N 1 2 340.181 3.347 20 5 EGBDLO CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125342579 454815757 /nfs/dbraw/zinc/81/57/57/454815757.db2.gz JKGZSJNKZOTORB-DYVFJYSZSA-N 1 2 342.399 3.077 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccn1 ZINC000125367244 454816930 /nfs/dbraw/zinc/81/69/30/454816930.db2.gz CVTUYQIJWVWKBW-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccn1 ZINC000125367244 454816934 /nfs/dbraw/zinc/81/69/34/454816934.db2.gz CVTUYQIJWVWKBW-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109785088 454836830 /nfs/dbraw/zinc/83/68/30/454836830.db2.gz PNTLVBITWXOOOC-LBPRGKRZSA-N 1 2 344.367 3.360 20 5 EGBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109785088 454836834 /nfs/dbraw/zinc/83/68/34/454836834.db2.gz PNTLVBITWXOOOC-LBPRGKRZSA-N 1 2 344.367 3.360 20 5 EGBDLO Cn1ncc2c1nc[nH+]c2SCc1c(Cl)cccc1[N+](=O)[O-] ZINC000154360814 454889060 /nfs/dbraw/zinc/88/90/60/454889060.db2.gz BTLUXEXXOZPEMK-UHFFFAOYSA-N 1 2 335.776 3.217 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000126437655 454894289 /nfs/dbraw/zinc/89/42/89/454894289.db2.gz LBVQHJWQPVIDGV-NHYWBVRUSA-N 1 2 348.790 3.168 20 5 EGBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000127204444 454945338 /nfs/dbraw/zinc/94/53/38/454945338.db2.gz UWPHTFMFZWSPLW-NSHDSACASA-N 1 2 349.412 3.124 20 5 EGBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000127204444 454945340 /nfs/dbraw/zinc/94/53/40/454945340.db2.gz UWPHTFMFZWSPLW-NSHDSACASA-N 1 2 349.412 3.124 20 5 EGBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127744000 454993659 /nfs/dbraw/zinc/99/36/59/454993659.db2.gz YBBHVNDSLDQZSQ-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000127744000 454993662 /nfs/dbraw/zinc/99/36/62/454993662.db2.gz YBBHVNDSLDQZSQ-LBPRGKRZSA-N 1 2 339.355 3.233 20 5 EGBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127804382 454999547 /nfs/dbraw/zinc/99/95/47/454999547.db2.gz KTWRDMRAELORIC-GFCCVEGCSA-N 1 2 329.356 3.049 20 5 EGBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127804382 454999551 /nfs/dbraw/zinc/99/95/51/454999551.db2.gz KTWRDMRAELORIC-GFCCVEGCSA-N 1 2 329.356 3.049 20 5 EGBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000155436366 455001662 /nfs/dbraw/zinc/00/16/62/455001662.db2.gz DSQMKMGWDMKCSW-GFCCVEGCSA-N 1 2 326.780 3.023 20 5 EGBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000155436366 455001667 /nfs/dbraw/zinc/00/16/67/455001667.db2.gz DSQMKMGWDMKCSW-GFCCVEGCSA-N 1 2 326.780 3.023 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000155513983 455010802 /nfs/dbraw/zinc/01/08/02/455010802.db2.gz IOCMNXJVXADQSQ-CYBMUJFWSA-N 1 2 325.368 3.246 20 5 EGBDLO COC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000181436348 455334265 /nfs/dbraw/zinc/33/42/65/455334265.db2.gz RAKBSSGJIGFFBU-OAHLLOKOSA-N 1 2 340.301 3.489 20 5 EGBDLO COc1cccc(NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000185148388 455510972 /nfs/dbraw/zinc/51/09/72/455510972.db2.gz HXKARIFFFQUTQB-UHFFFAOYSA-N 1 2 328.372 3.211 20 5 EGBDLO CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccncc1 ZINC000267864407 455558390 /nfs/dbraw/zinc/55/83/90/455558390.db2.gz BLJIRAMDGGSVOR-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccncc1 ZINC000267864407 455558395 /nfs/dbraw/zinc/55/83/95/455558395.db2.gz BLJIRAMDGGSVOR-UHFFFAOYSA-N 1 2 348.790 3.104 20 5 EGBDLO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000247097345 455558778 /nfs/dbraw/zinc/55/87/78/455558778.db2.gz XUINIQJJSYXATB-QWRGUYRKSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000247097345 455558775 /nfs/dbraw/zinc/55/87/75/455558775.db2.gz XUINIQJJSYXATB-QWRGUYRKSA-N 1 2 325.796 3.307 20 5 EGBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000292281586 455617917 /nfs/dbraw/zinc/61/79/17/455617917.db2.gz UTYPMNSJTYCUAA-MRXNPFEDSA-N 1 2 329.404 3.167 20 5 EGBDLO CCc1cc(NCCCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000192581151 455645489 /nfs/dbraw/zinc/64/54/89/455645489.db2.gz XXTGQYMUOMKUMV-UHFFFAOYSA-N 1 2 330.388 3.189 20 5 EGBDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635137 455658948 /nfs/dbraw/zinc/65/89/48/455658948.db2.gz IOFFIUWXTWYEGZ-FMKPAKJESA-N 1 2 333.432 3.110 20 5 EGBDLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635137 455658954 /nfs/dbraw/zinc/65/89/54/455658954.db2.gz IOFFIUWXTWYEGZ-FMKPAKJESA-N 1 2 333.432 3.110 20 5 EGBDLO CC(C)c1nnc([C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232321 455923114 /nfs/dbraw/zinc/92/31/14/455923114.db2.gz WDVUMSZNRXSEMC-WFASDCNBSA-N 1 2 346.387 3.236 20 5 EGBDLO CC(C)c1nnc([C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232321 455923119 /nfs/dbraw/zinc/92/31/19/455923119.db2.gz WDVUMSZNRXSEMC-WFASDCNBSA-N 1 2 346.387 3.236 20 5 EGBDLO CC1(C)C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000296608755 455987214 /nfs/dbraw/zinc/98/72/14/455987214.db2.gz WEDNFSQQERZQNG-AWEZNQCLSA-N 1 2 327.388 3.103 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1(F)F ZINC000289904761 456175684 /nfs/dbraw/zinc/17/56/84/456175684.db2.gz SRRVUKLKJGQPNY-SNVBAGLBSA-N 1 2 338.314 3.122 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1(F)F ZINC000289904761 456175690 /nfs/dbraw/zinc/17/56/90/456175690.db2.gz SRRVUKLKJGQPNY-SNVBAGLBSA-N 1 2 338.314 3.122 20 5 EGBDLO Cc1nc(N(C)Cc2[nH+]ccn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301668261 456180129 /nfs/dbraw/zinc/18/01/29/456180129.db2.gz PFFNIIVOTGQHGP-UHFFFAOYSA-N 1 2 337.383 3.179 20 5 EGBDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000263748941 456212706 /nfs/dbraw/zinc/21/27/06/456212706.db2.gz SDNYQMGXORPSPM-LBPRGKRZSA-N 1 2 348.353 3.151 20 5 EGBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000342877379 456289962 /nfs/dbraw/zinc/28/99/62/456289962.db2.gz RUJUSUYMICEDSR-AWEZNQCLSA-N 1 2 339.355 3.167 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000302810505 456406670 /nfs/dbraw/zinc/40/66/70/456406670.db2.gz GXPZIFUKTJGBTH-VXGBXAGGSA-N 1 2 327.812 3.078 20 5 EGBDLO CC[N@H+](C)[C@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)c1ccccc1 ZINC000291051841 456510346 /nfs/dbraw/zinc/51/03/46/456510346.db2.gz IITGAUQHECAQDH-HNNXBMFYSA-N 1 2 332.404 3.099 20 5 EGBDLO CC[N@@H+](C)[C@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)c1ccccc1 ZINC000291051841 456510355 /nfs/dbraw/zinc/51/03/55/456510355.db2.gz IITGAUQHECAQDH-HNNXBMFYSA-N 1 2 332.404 3.099 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](Cc2ccco2)CC1 ZINC000276690671 456553016 /nfs/dbraw/zinc/55/30/16/456553016.db2.gz WFEYAJOEQSNENZ-UHFFFAOYSA-N 1 2 338.367 3.058 20 5 EGBDLO C[C@H](Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1cncs1 ZINC000340911848 456755815 /nfs/dbraw/zinc/75/58/15/456755815.db2.gz UUJLBCFRGSLHNO-LBPRGKRZSA-N 1 2 348.428 3.057 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000353923564 456967272 /nfs/dbraw/zinc/96/72/72/456967272.db2.gz UICFSXHHVYWMHR-UHFFFAOYSA-N 1 2 339.355 3.127 20 5 EGBDLO C[C@@H](C1CCC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356532223 457040787 /nfs/dbraw/zinc/04/07/87/457040787.db2.gz DLLGGOHMDATINT-LBPRGKRZSA-N 1 2 328.372 3.041 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000347095065 457227656 /nfs/dbraw/zinc/22/76/56/457227656.db2.gz RURQUCNVTJGZKN-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000347095065 457227658 /nfs/dbraw/zinc/22/76/58/457227658.db2.gz RURQUCNVTJGZKN-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cn2c1 ZINC000357041586 457293099 /nfs/dbraw/zinc/29/30/99/457293099.db2.gz DWBBMDNNWMHSFP-UHFFFAOYSA-N 1 2 343.318 3.012 20 5 EGBDLO CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000357479053 457555119 /nfs/dbraw/zinc/55/51/19/457555119.db2.gz RCGQCZQNPKVYKY-ZFWWWQNUSA-N 1 2 342.399 3.479 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c(F)c1 ZINC000352718435 457555748 /nfs/dbraw/zinc/55/57/48/457555748.db2.gz ITNVENJPCPGFOT-UHFFFAOYSA-N 1 2 331.347 3.172 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425447409 457557865 /nfs/dbraw/zinc/55/78/65/457557865.db2.gz RSBGCHVJMAATRV-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425447409 457557873 /nfs/dbraw/zinc/55/78/73/457557873.db2.gz RSBGCHVJMAATRV-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000370204723 457583637 /nfs/dbraw/zinc/58/36/37/457583637.db2.gz SQGRWVUZHAIWGG-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000370204723 457583646 /nfs/dbraw/zinc/58/36/46/457583646.db2.gz SQGRWVUZHAIWGG-OZAJXLCCSA-N 1 2 348.424 3.198 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000364813588 457698480 /nfs/dbraw/zinc/69/84/80/457698480.db2.gz QFOJGVCFGFOKTQ-LLVKDONJSA-N 1 2 348.790 3.002 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000411927537 458014394 /nfs/dbraw/zinc/01/43/94/458014394.db2.gz SITGMKHTLWUIQJ-SUMWQHHRSA-N 1 2 334.322 3.181 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000411927537 458014401 /nfs/dbraw/zinc/01/44/01/458014401.db2.gz SITGMKHTLWUIQJ-SUMWQHHRSA-N 1 2 334.322 3.181 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000376091486 458191637 /nfs/dbraw/zinc/19/16/37/458191637.db2.gz CUQQWJVHKJCDGD-LLVKDONJSA-N 1 2 348.790 3.002 20 5 EGBDLO COCC[N@@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000429206109 458291425 /nfs/dbraw/zinc/29/14/25/458291425.db2.gz FDKWGSRHGCGSHM-SNVBAGLBSA-N 1 2 348.230 3.059 20 5 EGBDLO COCC[N@H+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000429206109 458291429 /nfs/dbraw/zinc/29/14/29/458291429.db2.gz FDKWGSRHGCGSHM-SNVBAGLBSA-N 1 2 348.230 3.059 20 5 EGBDLO CCOCCOC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459462921 458380466 /nfs/dbraw/zinc/38/04/66/458380466.db2.gz MXUGCGLTWMZBFP-UHFFFAOYSA-N 1 2 346.383 3.092 20 5 EGBDLO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccn(C)n1 ZINC000459770604 458474035 /nfs/dbraw/zinc/47/40/35/458474035.db2.gz YVDMPLHVWONSSP-LLVKDONJSA-N 1 2 343.412 3.303 20 5 EGBDLO CSc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000373593224 458543947 /nfs/dbraw/zinc/54/39/47/458543947.db2.gz AWHHBMHRRJULIU-NSHDSACASA-N 1 2 346.412 3.060 20 5 EGBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493784725 458567051 /nfs/dbraw/zinc/56/70/51/458567051.db2.gz IGLAYECBIRGUOK-GQCTYLIASA-N 1 2 331.759 3.279 20 5 EGBDLO CC(C)c1ccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000438967612 458634918 /nfs/dbraw/zinc/63/49/18/458634918.db2.gz MTCFFFHLPSIXTQ-UHFFFAOYSA-N 1 2 342.399 3.109 20 5 EGBDLO Cc1c(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cccc1[N+](=O)[O-] ZINC000547039553 458695370 /nfs/dbraw/zinc/69/53/70/458695370.db2.gz QCMYJFAXAQGKNV-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO C[C@H](CC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457210926 458898968 /nfs/dbraw/zinc/89/89/68/458898968.db2.gz FKDXVNXJHNFOSE-GFCCVEGCSA-N 1 2 330.388 3.335 20 5 EGBDLO CC(C)Oc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000591075831 459306719 /nfs/dbraw/zinc/30/67/19/459306719.db2.gz QJBDWTWSYYKMJC-UHFFFAOYSA-N 1 2 344.371 3.095 20 5 EGBDLO O=[N+]([O-])c1c(Nc2ccc(N3CCCCC3)[nH+]c2)nc2sccn21 ZINC000591653556 459417745 /nfs/dbraw/zinc/41/77/45/459417745.db2.gz YMPHPONQWYBAPU-UHFFFAOYSA-N 1 2 344.400 3.433 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596355422 459606719 /nfs/dbraw/zinc/60/67/19/459606719.db2.gz AAYIGJZHSYUPGX-UHFFFAOYSA-N 1 2 342.399 3.349 20 5 EGBDLO Cc1cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000584036268 459637723 /nfs/dbraw/zinc/63/77/23/459637723.db2.gz HCMJNKZOANVGET-UHFFFAOYSA-N 1 2 328.372 3.085 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccnn2CC2CC2)C2CC2)cc1 ZINC000596980180 459810162 /nfs/dbraw/zinc/81/01/62/459810162.db2.gz UYEYCAGPWVRAED-UHFFFAOYSA-N 1 2 326.400 3.366 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccnn2CC2CC2)C2CC2)cc1 ZINC000596980180 459810167 /nfs/dbraw/zinc/81/01/67/459810167.db2.gz UYEYCAGPWVRAED-UHFFFAOYSA-N 1 2 326.400 3.366 20 5 EGBDLO Cc1cccn2cc(CC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)[nH+]c12 ZINC000608846658 459889502 /nfs/dbraw/zinc/88/95/02/459889502.db2.gz TWWWNMGFTIJXHG-UHFFFAOYSA-N 1 2 338.367 3.349 20 5 EGBDLO CC[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000593490710 459905529 /nfs/dbraw/zinc/90/55/29/459905529.db2.gz DYDXYMDHWRXUPP-BBRMVZONSA-N 1 2 342.399 3.364 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(OC4CCCC4)CC3)nc2c1 ZINC000618278441 459952891 /nfs/dbraw/zinc/95/28/91/459952891.db2.gz ZTZQHGUOBCKATM-UHFFFAOYSA-N 1 2 344.415 3.395 20 5 EGBDLO CCCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609705385 460009485 /nfs/dbraw/zinc/00/94/85/460009485.db2.gz YBFGHOVOGYCFQN-UHFFFAOYSA-N 1 2 339.823 3.129 20 5 EGBDLO CC(C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000602630931 460032215 /nfs/dbraw/zinc/03/22/15/460032215.db2.gz PNGPJMOOZICLKY-AWEZNQCLSA-N 1 2 346.353 3.135 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000576097130 460068317 /nfs/dbraw/zinc/06/83/17/460068317.db2.gz HWWQSGBRFFTNEV-DLBZAZTESA-N 1 2 334.416 3.383 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000576097130 460068319 /nfs/dbraw/zinc/06/83/19/460068319.db2.gz HWWQSGBRFFTNEV-DLBZAZTESA-N 1 2 334.416 3.383 20 5 EGBDLO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160414 460072626 /nfs/dbraw/zinc/07/26/26/460072626.db2.gz MPKQMSNJHVCPNI-DZGCQCFKSA-N 1 2 347.440 3.358 20 5 EGBDLO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160414 460072633 /nfs/dbraw/zinc/07/26/33/460072633.db2.gz MPKQMSNJHVCPNI-DZGCQCFKSA-N 1 2 347.440 3.358 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599622456 460290208 /nfs/dbraw/zinc/29/02/08/460290208.db2.gz ISHBMJPHIKKZTD-SECBINFHSA-N 1 2 347.749 3.306 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599622456 460290212 /nfs/dbraw/zinc/29/02/12/460290212.db2.gz ISHBMJPHIKKZTD-SECBINFHSA-N 1 2 347.749 3.306 20 5 EGBDLO COc1cc(NCC[NH+]2Cc3ccccc3C2)c(F)cc1[N+](=O)[O-] ZINC000611255979 460319238 /nfs/dbraw/zinc/31/92/38/460319238.db2.gz WOAWPWSEKQOOCT-UHFFFAOYSA-N 1 2 331.347 3.170 20 5 EGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611554304 460397372 /nfs/dbraw/zinc/39/73/72/460397372.db2.gz KREPLPBVAWSLGD-WDEREUQCSA-N 1 2 345.321 3.196 20 5 EGBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611554304 460397376 /nfs/dbraw/zinc/39/73/76/460397376.db2.gz KREPLPBVAWSLGD-WDEREUQCSA-N 1 2 345.321 3.196 20 5 EGBDLO O=C(NCC12CCC(CC1)C2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000339888246 547577585 /nfs/dbraw/zinc/57/75/85/547577585.db2.gz ZWSGHOFABVYTGP-UHFFFAOYSA-N 1 2 340.383 3.091 20 5 EGBDLO Cc1cccn2cc(COC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])[nH+]c12 ZINC000728343287 574741517 /nfs/dbraw/zinc/74/15/17/574741517.db2.gz DSFHQFUVNKFYHT-UHFFFAOYSA-N 1 2 347.277 3.186 20 5 EGBDLO Cc1cc(N[C@@H]2CCS[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592001054 574954329 /nfs/dbraw/zinc/95/43/29/574954329.db2.gz OSCMJFYGSRYWPS-BXUZGUMPSA-N 1 2 330.413 3.088 20 5 EGBDLO O=C(OC[C@H]1CCCCS1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835414121 1293286034 /nfs/dbraw/zinc/28/60/34/1293286034.db2.gz WIXHYTJTUCMSBT-CYBMUJFWSA-N 1 2 347.396 3.223 20 5 EGBDLO CO[C@]1(C)CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000230261388 1296162798 /nfs/dbraw/zinc/16/27/98/1296162798.db2.gz CZXIERYANMSZQA-CQSZACIVSA-N 1 2 343.221 3.358 20 5 EGBDLO CO[C@]1(C)CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000230261388 1296162807 /nfs/dbraw/zinc/16/28/07/1296162807.db2.gz CZXIERYANMSZQA-CQSZACIVSA-N 1 2 343.221 3.358 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC000874256903 1297840092 /nfs/dbraw/zinc/84/00/92/1297840092.db2.gz NUKJZEGDAWSXPI-UHFFFAOYSA-N 1 2 343.383 3.162 20 5 EGBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000747840988 1298870415 /nfs/dbraw/zinc/87/04/15/1298870415.db2.gz XJCLFHUVINOKNY-NSHDSACASA-N 1 2 341.383 3.079 20 5 EGBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000747840988 1298870428 /nfs/dbraw/zinc/87/04/28/1298870428.db2.gz XJCLFHUVINOKNY-NSHDSACASA-N 1 2 341.383 3.079 20 5 EGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000754496227 1300152453 /nfs/dbraw/zinc/15/24/53/1300152453.db2.gz CNOLPWXSNXGBBB-UHFFFAOYSA-N 1 2 341.298 3.277 20 5 EGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000754503458 1300154472 /nfs/dbraw/zinc/15/44/72/1300154472.db2.gz LSEIWPPLSGXBEK-UHFFFAOYSA-N 1 2 341.298 3.277 20 5 EGBDLO Cc1cc(F)ccc1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000755125736 1300287859 /nfs/dbraw/zinc/28/78/59/1300287859.db2.gz ROBNBTQEQFPKIA-UHFFFAOYSA-N 1 2 341.298 3.447 20 5 EGBDLO Cc1cc[nH+]c(N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000766165592 1302402930 /nfs/dbraw/zinc/40/29/30/1302402930.db2.gz BRYHTOFXEKDFMQ-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000768235044 1302859863 /nfs/dbraw/zinc/85/98/63/1302859863.db2.gz WCZXOVKEXSDYKV-LJQANCHMSA-N 1 2 342.395 3.246 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000775494239 1303974200 /nfs/dbraw/zinc/97/42/00/1303974200.db2.gz RJSIGXWTSNMFOQ-INIZCTEOSA-N 1 2 332.331 3.332 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000775494239 1303974204 /nfs/dbraw/zinc/97/42/04/1303974204.db2.gz RJSIGXWTSNMFOQ-INIZCTEOSA-N 1 2 332.331 3.332 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000783565533 1305108786 /nfs/dbraw/zinc/10/87/86/1305108786.db2.gz BZGZSKOKRDVDDX-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1Cl ZINC000783565533 1305108792 /nfs/dbraw/zinc/10/87/92/1305108792.db2.gz BZGZSKOKRDVDDX-RYUDHWBXSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1Cl ZINC000787296579 1305728018 /nfs/dbraw/zinc/72/80/18/1305728018.db2.gz UIMXGDUDXKWIBV-UHFFFAOYSA-N 1 2 343.774 3.119 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(N2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000895353256 1309295396 /nfs/dbraw/zinc/29/53/96/1309295396.db2.gz AEAKRJZUVJCBCG-UHFFFAOYSA-N 1 2 334.326 3.349 20 5 EGBDLO CC(=O)c1cc(N2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000895354615 1309297365 /nfs/dbraw/zinc/29/73/65/1309297365.db2.gz RQUVTPTXCWVOEL-UHFFFAOYSA-N 1 2 340.383 3.273 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000895493551 1309367649 /nfs/dbraw/zinc/36/76/49/1309367649.db2.gz SBTHSVPGZCFSQF-INIZCTEOSA-N 1 2 347.802 3.434 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000895493551 1309367658 /nfs/dbraw/zinc/36/76/58/1309367658.db2.gz SBTHSVPGZCFSQF-INIZCTEOSA-N 1 2 347.802 3.434 20 5 EGBDLO COc1c(O)ccc(C[NH+]2CC(C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000895513882 1309380043 /nfs/dbraw/zinc/38/00/43/1309380043.db2.gz RHULPAZZEXJXMD-UHFFFAOYSA-N 1 2 328.368 3.083 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H]1c1ccccc1 ZINC000794635153 1309562247 /nfs/dbraw/zinc/56/22/47/1309562247.db2.gz CUBZBCLLNUWFKE-MLGOLLRUSA-N 1 2 339.351 3.153 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H]1c1ccccc1 ZINC000794635153 1309562254 /nfs/dbraw/zinc/56/22/54/1309562254.db2.gz CUBZBCLLNUWFKE-MLGOLLRUSA-N 1 2 339.351 3.153 20 5 EGBDLO CCC[C@]1(C)CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637775 1309562559 /nfs/dbraw/zinc/56/25/59/1309562559.db2.gz XYLBPKWFMXLGLO-QGZVFWFLSA-N 1 2 333.388 3.362 20 5 EGBDLO CCC[C@]1(C)CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637775 1309562567 /nfs/dbraw/zinc/56/25/67/1309562567.db2.gz XYLBPKWFMXLGLO-QGZVFWFLSA-N 1 2 333.388 3.362 20 5 EGBDLO C[N@H+](Cc1ccnc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000815009703 1318866549 /nfs/dbraw/zinc/86/65/49/1318866549.db2.gz KHEGFBPSAOLMFF-UHFFFAOYSA-N 1 2 336.189 3.384 20 5 EGBDLO C[N@@H+](Cc1ccnc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000815009703 1318866554 /nfs/dbraw/zinc/86/65/54/1318866554.db2.gz KHEGFBPSAOLMFF-UHFFFAOYSA-N 1 2 336.189 3.384 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@]1(C)CO ZINC000852701258 1323227220 /nfs/dbraw/zinc/22/72/20/1323227220.db2.gz AUEVAOWNWHQWKE-YMTOWFKASA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@]1(C)CO ZINC000852701258 1323227224 /nfs/dbraw/zinc/22/72/24/1323227224.db2.gz AUEVAOWNWHQWKE-YMTOWFKASA-N 1 2 333.215 3.352 20 5 EGBDLO C/C=C(\C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039541344 1345136668 /nfs/dbraw/zinc/13/66/68/1345136668.db2.gz PKIFEYXNBYHJOQ-BVWQABNMSA-N 1 2 343.427 3.126 20 5 EGBDLO C/C=C(\C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001039541344 1345136672 /nfs/dbraw/zinc/13/66/72/1345136672.db2.gz PKIFEYXNBYHJOQ-BVWQABNMSA-N 1 2 343.427 3.126 20 5 EGBDLO Nc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1[N+](=O)[O-] ZINC001209935449 1372236321 /nfs/dbraw/zinc/23/63/21/1372236321.db2.gz WKGRHXBKFGAYHG-UHFFFAOYSA-N 1 2 348.160 3.331 20 5 EGBDLO Cc1ncc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1[N+](=O)[O-] ZINC001213210321 1372861687 /nfs/dbraw/zinc/86/16/87/1372861687.db2.gz RSTKGQANJIKZDS-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001225436357 1375110072 /nfs/dbraw/zinc/11/00/72/1375110072.db2.gz YYKOIOFTUBUKIQ-ZDUSSCGKSA-N 1 2 344.758 3.340 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001225623809 1375133946 /nfs/dbraw/zinc/13/39/46/1375133946.db2.gz SYWDVYFSLTVXOQ-HNNXBMFYSA-N 1 2 328.368 3.344 20 5 EGBDLO O=[N+]([O-])c1c(O)cccc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225623809 1375133951 /nfs/dbraw/zinc/13/39/51/1375133951.db2.gz SYWDVYFSLTVXOQ-HNNXBMFYSA-N 1 2 328.368 3.344 20 5 EGBDLO O=[N+]([O-])c1c(Cl)ccnc1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001228017355 1375504384 /nfs/dbraw/zinc/50/43/84/1375504384.db2.gz MSGXDKZIHXULBJ-ZDUSSCGKSA-N 1 2 344.758 3.340 20 5 EGBDLO FC(F)CN1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232226128 1376419631 /nfs/dbraw/zinc/41/96/31/1376419631.db2.gz RXRRAILJNIGEEJ-UHFFFAOYSA-N 1 2 342.393 3.166 20 5 EGBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1nccc(Cl)c1[N+](=O)[O-] ZINC001156775977 1380633455 /nfs/dbraw/zinc/63/34/55/1380633455.db2.gz QKAXQEVEJFVPNL-UHFFFAOYSA-N 1 2 343.774 3.465 20 5 EGBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001158707170 1381361795 /nfs/dbraw/zinc/36/17/95/1381361795.db2.gz JRNRIWDTMXQBRS-AWEZNQCLSA-N 1 2 342.830 3.179 20 5 EGBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001158707170 1381361799 /nfs/dbraw/zinc/36/17/99/1381361799.db2.gz JRNRIWDTMXQBRS-AWEZNQCLSA-N 1 2 342.830 3.179 20 5 EGBDLO CC(C)(C)OC(=O)c1ccc(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167616613 1383689649 /nfs/dbraw/zinc/68/96/49/1383689649.db2.gz KIRAHPBTDLVVBJ-UHFFFAOYSA-N 1 2 344.371 3.139 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CC3(C2)CC(F)(F)C3)c1F ZINC001173187083 1384933631 /nfs/dbraw/zinc/93/36/31/1384933631.db2.gz WMYGHQSRLHRVDG-JTQLQIEISA-N 1 2 344.333 3.405 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCO[C@H](C(C)C)C2)c1F ZINC001173191385 1384934248 /nfs/dbraw/zinc/93/42/48/1384934248.db2.gz DEBDVBJWVZCDHW-LRDDRELGSA-N 1 2 340.395 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCO[C@H](C(C)C)C2)c1F ZINC001173191385 1384934250 /nfs/dbraw/zinc/93/42/50/1384934250.db2.gz DEBDVBJWVZCDHW-LRDDRELGSA-N 1 2 340.395 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCOC[C@H]2C(C)C)c1F ZINC001173197645 1384934628 /nfs/dbraw/zinc/93/46/28/1384934628.db2.gz WCHHDFDAIBAMJE-DOMZBBRYSA-N 1 2 340.395 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCOC[C@H]2C(C)C)c1F ZINC001173197645 1384934631 /nfs/dbraw/zinc/93/46/31/1384934631.db2.gz WCHHDFDAIBAMJE-DOMZBBRYSA-N 1 2 340.395 3.030 20 5 EGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(Oc2ccccc2F)C1 ZINC001173235800 1384941996 /nfs/dbraw/zinc/94/19/96/1384941996.db2.gz ZHXDGSPABGVCGA-ZDUSSCGKSA-N 1 2 330.359 3.428 20 5 EGBDLO CN(CC(=O)Nc1cc2cccnc2c2ncccc12)c1cccc[nH+]1 ZINC001177413854 1385947728 /nfs/dbraw/zinc/94/77/28/1385947728.db2.gz ZJPJHDNSDBJCDY-UHFFFAOYSA-N 1 2 343.390 3.253 20 5 EGBDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)no1 ZINC001343629666 1390727507 /nfs/dbraw/zinc/72/75/07/1390727507.db2.gz JCTFLVVVGLLTMW-UHFFFAOYSA-N 1 2 348.378 3.051 20 5 EGBDLO Cc1cc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)no1 ZINC001343629666 1390727508 /nfs/dbraw/zinc/72/75/08/1390727508.db2.gz JCTFLVVVGLLTMW-UHFFFAOYSA-N 1 2 348.378 3.051 20 5 EGBDLO CC(C)(C)c1cn(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c[nH+]1 ZINC001348538754 1391234328 /nfs/dbraw/zinc/23/43/28/1391234328.db2.gz ZQIRVOVCDHCSAH-UHFFFAOYSA-N 1 2 327.344 3.187 20 5 EGBDLO CC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1nc(C)cs1 ZINC001351992003 1391740695 /nfs/dbraw/zinc/74/06/95/1391740695.db2.gz ZIOOQQRUPRZRCS-NSHDSACASA-N 1 2 337.401 3.315 20 5 EGBDLO CC/C=C(/C)C(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001755881757 1440939681 /nfs/dbraw/zinc/93/96/81/1440939681.db2.gz SYYPXJGQRMAUCV-PQMHYQBVSA-N 1 2 349.456 3.261 20 5 EGBDLO CC/C=C(/C)C(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001755881757 1440939682 /nfs/dbraw/zinc/93/96/82/1440939682.db2.gz SYYPXJGQRMAUCV-PQMHYQBVSA-N 1 2 349.456 3.261 20 5 EGBDLO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000066436394 215041933 /nfs/dbraw/zinc/04/19/33/215041933.db2.gz CTOYUEUABSIVLT-MRXNPFEDSA-N 1 2 346.383 3.378 20 5 EGBDLO COc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000066436394 215041935 /nfs/dbraw/zinc/04/19/35/215041935.db2.gz CTOYUEUABSIVLT-MRXNPFEDSA-N 1 2 346.383 3.378 20 5 EGBDLO Cc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000092539518 218147999 /nfs/dbraw/zinc/14/79/99/218147999.db2.gz KLMINAPCNIYIGH-UHFFFAOYSA-N 1 2 345.443 3.128 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCCCCC1 ZINC000008778651 211006071 /nfs/dbraw/zinc/00/60/71/211006071.db2.gz FTGMJOSVBXOWPL-UHFFFAOYSA-N 1 2 328.372 3.187 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(N2CC[C@@H]([NH+]3CC=CC3)C2)c(Cl)c1 ZINC000125650256 285087166 /nfs/dbraw/zinc/08/71/66/285087166.db2.gz TZCBSUQJIVXTNK-SNVBAGLBSA-N 1 2 328.199 3.352 20 5 EGBDLO CCC[C@H]1SCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000118650258 221165225 /nfs/dbraw/zinc/16/52/25/221165225.db2.gz DDLUDOGXYYWUOY-OAHLLOKOSA-N 1 2 346.412 3.096 20 5 EGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000347952138 141224141 /nfs/dbraw/zinc/22/41/41/141224141.db2.gz FXUQQDMRMVPKPS-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348022333 141233145 /nfs/dbraw/zinc/23/31/45/141233145.db2.gz VRDFYKOGOUECIC-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000372613467 157367483 /nfs/dbraw/zinc/36/74/83/157367483.db2.gz YLNDOUJZDKPMPI-CQSZACIVSA-N 1 2 328.372 3.419 20 5 EGBDLO Cc1cc(C)c(NC(=O)CCNc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000097040404 162045604 /nfs/dbraw/zinc/04/56/04/162045604.db2.gz YJYATRSTTQBNKA-UHFFFAOYSA-N 1 2 328.372 3.356 20 5 EGBDLO COc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cccc1[N+](=O)[O-] ZINC000355467327 166210259 /nfs/dbraw/zinc/21/02/59/166210259.db2.gz QZXURQMNUVBVKV-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO CC(C)c1nc(N(C)C)nc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000179273600 265369806 /nfs/dbraw/zinc/36/98/06/265369806.db2.gz UKOYZGJTSAZEFH-NSHDSACASA-N 1 2 330.392 3.142 20 5 EGBDLO CC(C)c1nc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc(N(C)C)[nH+]1 ZINC000179273600 265369808 /nfs/dbraw/zinc/36/98/08/265369808.db2.gz UKOYZGJTSAZEFH-NSHDSACASA-N 1 2 330.392 3.142 20 5 EGBDLO CN(C)c1ccc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000195057446 266156936 /nfs/dbraw/zinc/15/69/36/266156936.db2.gz BUIATHZJGAECCE-UHFFFAOYSA-N 1 2 336.351 3.461 20 5 EGBDLO Cc1cccc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000275453196 267363944 /nfs/dbraw/zinc/36/39/44/267363944.db2.gz LVWHMXWDHIQIJF-AWEZNQCLSA-N 1 2 342.399 3.135 20 5 EGBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(F)c1 ZINC000047406614 275141583 /nfs/dbraw/zinc/14/15/83/275141583.db2.gz WPQAKSZTZAYQAP-UHFFFAOYSA-N 1 2 342.330 3.416 20 5 EGBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(F)c1 ZINC000047406614 275141584 /nfs/dbraw/zinc/14/15/84/275141584.db2.gz WPQAKSZTZAYQAP-UHFFFAOYSA-N 1 2 342.330 3.416 20 5 EGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000071938066 275151721 /nfs/dbraw/zinc/15/17/21/275151721.db2.gz AFGZSQRZUNJXEE-UHFFFAOYSA-N 1 2 336.351 3.177 20 5 EGBDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000278748197 275271261 /nfs/dbraw/zinc/27/12/61/275271261.db2.gz RXYTZVWZUIBNJD-GWCFXTLKSA-N 1 2 326.356 3.477 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000281734540 275571594 /nfs/dbraw/zinc/57/15/94/275571594.db2.gz IYAMVOFTJFSHCO-INIZCTEOSA-N 1 2 342.399 3.487 20 5 EGBDLO CC(C)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1[nH]cc[nH+]1 ZINC000285667865 275901440 /nfs/dbraw/zinc/90/14/40/275901440.db2.gz PGIOMIVBBUQYRT-OAHLLOKOSA-N 1 2 329.360 3.012 20 5 EGBDLO CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000285732535 275906817 /nfs/dbraw/zinc/90/68/17/275906817.db2.gz SVXHPLBYSAMFIM-SNVBAGLBSA-N 1 2 340.181 3.285 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373494356 276053219 /nfs/dbraw/zinc/05/32/19/276053219.db2.gz KJDOKJYZPFKERI-RDTXWAMCSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000373494356 276053220 /nfs/dbraw/zinc/05/32/20/276053220.db2.gz KJDOKJYZPFKERI-RDTXWAMCSA-N 1 2 334.416 3.098 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634860 281046392 /nfs/dbraw/zinc/04/63/92/281046392.db2.gz VNONIVKENPPELZ-ZBFHGGJFSA-N 1 2 333.432 3.206 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634860 281046393 /nfs/dbraw/zinc/04/63/93/281046393.db2.gz VNONIVKENPPELZ-ZBFHGGJFSA-N 1 2 333.432 3.206 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000107287764 281669737 /nfs/dbraw/zinc/66/97/37/281669737.db2.gz RJZJDVYHTBAKJZ-UHFFFAOYSA-N 1 2 326.356 3.151 20 5 EGBDLO Cc1cc(N(C)CCOCC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000154070818 307787568 /nfs/dbraw/zinc/78/75/68/307787568.db2.gz FWAJUKYNLRDXCD-UHFFFAOYSA-N 1 2 342.399 3.223 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000414345986 309074294 /nfs/dbraw/zinc/07/42/94/309074294.db2.gz LTOCGEOQSGWIHL-BFYDXBDKSA-N 1 2 338.367 3.156 20 5 EGBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1F ZINC000171190163 307943059 /nfs/dbraw/zinc/94/30/59/307943059.db2.gz UCCNWAARQLKSOE-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2CF)c([N+](=O)[O-])cc1OC(F)F ZINC000293007416 308089493 /nfs/dbraw/zinc/08/94/93/308089493.db2.gz JMNAFDHMZRDJRO-JTQLQIEISA-N 1 2 334.294 3.139 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2CF)c([N+](=O)[O-])cc1OC(F)F ZINC000293007416 308089494 /nfs/dbraw/zinc/08/94/94/308089494.db2.gz JMNAFDHMZRDJRO-JTQLQIEISA-N 1 2 334.294 3.139 20 5 EGBDLO COCC1=CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000294598935 308236554 /nfs/dbraw/zinc/23/65/54/308236554.db2.gz NMQQWFKZUUNTQJ-UHFFFAOYSA-N 1 2 330.306 3.392 20 5 EGBDLO COCC1=CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000294598935 308236556 /nfs/dbraw/zinc/23/65/56/308236556.db2.gz NMQQWFKZUUNTQJ-UHFFFAOYSA-N 1 2 330.306 3.392 20 5 EGBDLO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000294757362 308253725 /nfs/dbraw/zinc/25/37/25/308253725.db2.gz AYACFKVKIKXLTE-LBPRGKRZSA-N 1 2 334.763 3.339 20 5 EGBDLO Cc1cc(Cl)c(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000294946129 308274595 /nfs/dbraw/zinc/27/45/95/308274595.db2.gz AIBKXXAUXABPLZ-ZDUSSCGKSA-N 1 2 336.779 3.407 20 5 EGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000295956357 308378610 /nfs/dbraw/zinc/37/86/10/308378610.db2.gz HVHUIMCABMITFE-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000297299173 308519630 /nfs/dbraw/zinc/51/96/30/308519630.db2.gz AIUBFEMRXQOVII-UHFFFAOYSA-N 1 2 348.353 3.250 20 5 EGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccc([N+](=O)[O-])cc1 ZINC000301899606 308720576 /nfs/dbraw/zinc/72/05/76/308720576.db2.gz TYVNTKUSZOBCIA-UHFFFAOYSA-N 1 2 326.360 3.102 20 5 EGBDLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000412400030 308984743 /nfs/dbraw/zinc/98/47/43/308984743.db2.gz BQQOFHBHPBULCK-DLBZAZTESA-N 1 2 325.368 3.027 20 5 EGBDLO O=C(CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)NC1CCCCC1 ZINC000413064133 309014252 /nfs/dbraw/zinc/01/42/52/309014252.db2.gz GNZXRTVANRXMPO-UHFFFAOYSA-N 1 2 342.399 3.394 20 5 EGBDLO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413274848 309024630 /nfs/dbraw/zinc/02/46/30/309024630.db2.gz UKPNZCCIANIOLY-UHFFFAOYSA-N 1 2 349.394 3.173 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)c2c1 ZINC000413308648 309026074 /nfs/dbraw/zinc/02/60/74/309026074.db2.gz ADDQMNDCZYHJNQ-FMKPAKJESA-N 1 2 327.384 3.130 20 5 EGBDLO O=[N+]([O-])c1cccc2c(N3CC[C@H](Oc4cc[nH+]cc4)C3)ccnc21 ZINC000432314320 309657182 /nfs/dbraw/zinc/65/71/82/309657182.db2.gz NNABTFVOEFHYGR-AWEZNQCLSA-N 1 2 336.351 3.196 20 5 EGBDLO CC1(C)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447819045 309989760 /nfs/dbraw/zinc/98/97/60/309989760.db2.gz ZZQUVKREHCSTJN-UHFFFAOYSA-N 1 2 333.432 3.053 20 5 EGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000449696648 310081566 /nfs/dbraw/zinc/08/15/66/310081566.db2.gz IREJNJVFIGHFOT-UHFFFAOYSA-N 1 2 339.298 3.351 20 5 EGBDLO CC1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449945161 310095354 /nfs/dbraw/zinc/09/53/54/310095354.db2.gz NKZCFETYTRUEAT-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO CC(C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450012531 310098837 /nfs/dbraw/zinc/09/88/37/310098837.db2.gz QWMNCTIRSZHBKQ-CQSZACIVSA-N 1 2 342.399 3.289 20 5 EGBDLO Cc1cc(NCCC[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450888806 310148086 /nfs/dbraw/zinc/14/80/86/310148086.db2.gz ONLFTXUJBOLBHS-AWEZNQCLSA-N 1 2 342.399 3.011 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454208239 310297136 /nfs/dbraw/zinc/29/71/36/310297136.db2.gz HIXBHSIHMCXZQO-SECBINFHSA-N 1 2 337.767 3.347 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000454936855 310336580 /nfs/dbraw/zinc/33/65/80/310336580.db2.gz BIJUQANXLLNIAT-GFCCVEGCSA-N 1 2 331.376 3.311 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455242625 310351820 /nfs/dbraw/zinc/35/18/20/310351820.db2.gz HHOIRLBHPKXKGP-YPMHNXCESA-N 1 2 329.360 3.236 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456399490 310404076 /nfs/dbraw/zinc/40/40/76/310404076.db2.gz CXCLFXGCIKPVAX-MFKMUULPSA-N 1 2 346.412 3.339 20 5 EGBDLO COC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000475133697 310806664 /nfs/dbraw/zinc/80/66/64/310806664.db2.gz CZRLTGQWZXVYAK-INIZCTEOSA-N 1 2 346.408 3.365 20 5 EGBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCC1CCCCC1 ZINC000490039126 311130745 /nfs/dbraw/zinc/13/07/45/311130745.db2.gz BEFXKROXSWMCCU-UHFFFAOYSA-N 1 2 345.443 3.256 20 5 EGBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NCC1CCCCC1 ZINC000490039126 311130747 /nfs/dbraw/zinc/13/07/47/311130747.db2.gz BEFXKROXSWMCCU-UHFFFAOYSA-N 1 2 345.443 3.256 20 5 EGBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491891292 311196062 /nfs/dbraw/zinc/19/60/62/311196062.db2.gz CBECOWPJSJMDNM-TWGQIWQCSA-N 1 2 348.362 3.110 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000493046445 311320953 /nfs/dbraw/zinc/32/09/53/311320953.db2.gz DJFCXCRENCCSNZ-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000493046445 311320954 /nfs/dbraw/zinc/32/09/54/311320954.db2.gz DJFCXCRENCCSNZ-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO Cc1ccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000537548412 314188567 /nfs/dbraw/zinc/18/85/67/314188567.db2.gz DSLHDQLQILGUMY-UHFFFAOYSA-N 1 2 336.351 3.223 20 5 EGBDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554843314 315351916 /nfs/dbraw/zinc/35/19/16/315351916.db2.gz KSSIRFMQSDQPBP-GOSISDBHSA-N 1 2 342.395 3.374 20 5 EGBDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554843314 315351917 /nfs/dbraw/zinc/35/19/17/315351917.db2.gz KSSIRFMQSDQPBP-GOSISDBHSA-N 1 2 342.395 3.374 20 5 EGBDLO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(Cl)c1 ZINC000564810370 316209619 /nfs/dbraw/zinc/20/96/19/316209619.db2.gz GETNKDOCRGMNND-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO C[C@@H](C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000565933796 316389937 /nfs/dbraw/zinc/38/99/37/316389937.db2.gz QHRLQBXYRNEBNW-DOMZBBRYSA-N 1 2 342.399 3.042 20 5 EGBDLO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000007811819 453119423 /nfs/dbraw/zinc/11/94/23/453119423.db2.gz FTZWZERGRKLVCX-GHMZBOCLSA-N 1 2 325.796 3.165 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)cc1F ZINC000024946536 453751756 /nfs/dbraw/zinc/75/17/56/453751756.db2.gz XUHDCJZZLYIZME-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024946536 453751759 /nfs/dbraw/zinc/75/17/59/453751759.db2.gz XUHDCJZZLYIZME-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[N@H+](Cc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025943718 453790561 /nfs/dbraw/zinc/79/05/61/453790561.db2.gz FAHAHXBXTIQSNY-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO C[N@@H+](Cc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000025943718 453790564 /nfs/dbraw/zinc/79/05/64/453790564.db2.gz FAHAHXBXTIQSNY-UHFFFAOYSA-N 1 2 330.369 3.338 20 5 EGBDLO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000027107528 453811162 /nfs/dbraw/zinc/81/11/62/453811162.db2.gz LSMAWNZLAYCXDF-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000027107528 453811164 /nfs/dbraw/zinc/81/11/64/453811164.db2.gz LSMAWNZLAYCXDF-UHFFFAOYSA-N 1 2 331.397 3.259 20 5 EGBDLO CN(C(=O)C[N@H+](C)Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000028935214 453825536 /nfs/dbraw/zinc/82/55/36/453825536.db2.gz FAWOABADONLSRC-UHFFFAOYSA-N 1 2 347.802 3.343 20 5 EGBDLO CN(C(=O)C[N@@H+](C)Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000028935214 453825537 /nfs/dbraw/zinc/82/55/37/453825537.db2.gz FAWOABADONLSRC-UHFFFAOYSA-N 1 2 347.802 3.343 20 5 EGBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000030004316 453833240 /nfs/dbraw/zinc/83/32/40/453833240.db2.gz OEJYVULHAZIMQL-ZDUSSCGKSA-N 1 2 348.424 3.191 20 5 EGBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000030004316 453833241 /nfs/dbraw/zinc/83/32/41/453833241.db2.gz OEJYVULHAZIMQL-ZDUSSCGKSA-N 1 2 348.424 3.191 20 5 EGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000032465846 453873869 /nfs/dbraw/zinc/87/38/69/453873869.db2.gz HEWHTHKUKHKWLM-UHFFFAOYSA-N 1 2 341.371 3.359 20 5 EGBDLO C[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032654771 453881841 /nfs/dbraw/zinc/88/18/41/453881841.db2.gz SRFQDURGXIZCBV-GXTWGEPZSA-N 1 2 328.372 3.089 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000033391101 453914937 /nfs/dbraw/zinc/91/49/37/453914937.db2.gz PBUWBAYZBDDLRU-DAXSKMNVSA-N 1 2 337.423 3.426 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000075650124 453914983 /nfs/dbraw/zinc/91/49/83/453914983.db2.gz VRIDYVYEEKOEBG-OAHLLOKOSA-N 1 2 345.443 3.380 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccco1 ZINC000038240147 453940266 /nfs/dbraw/zinc/94/02/66/453940266.db2.gz IKZAOBYPDJPVTN-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccco1 ZINC000038240147 453940269 /nfs/dbraw/zinc/94/02/69/453940269.db2.gz IKZAOBYPDJPVTN-NSHDSACASA-N 1 2 328.328 3.431 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067966682 453985137 /nfs/dbraw/zinc/98/51/37/453985137.db2.gz DCHGWSZHQHYNSA-CQSZACIVSA-N 1 2 348.790 3.352 20 5 EGBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067966682 453985139 /nfs/dbraw/zinc/98/51/39/453985139.db2.gz DCHGWSZHQHYNSA-CQSZACIVSA-N 1 2 348.790 3.352 20 5 EGBDLO CCc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)cs1 ZINC000057150390 454106596 /nfs/dbraw/zinc/10/65/96/454106596.db2.gz PICQRFUQPLBLML-UHFFFAOYSA-N 1 2 346.456 3.244 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606886 454114749 /nfs/dbraw/zinc/11/47/49/454114749.db2.gz JVFOUMUIMOYQMU-WMLDXEAASA-N 1 2 345.443 3.133 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606886 454114751 /nfs/dbraw/zinc/11/47/51/454114751.db2.gz JVFOUMUIMOYQMU-WMLDXEAASA-N 1 2 345.443 3.133 20 5 EGBDLO COC(=O)c1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)s1 ZINC000089151854 454124971 /nfs/dbraw/zinc/12/49/71/454124971.db2.gz FEAPDVKEOVNXJH-UHFFFAOYSA-N 1 2 346.408 3.310 20 5 EGBDLO COC(=O)c1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)s1 ZINC000089151854 454124975 /nfs/dbraw/zinc/12/49/75/454124975.db2.gz FEAPDVKEOVNXJH-UHFFFAOYSA-N 1 2 346.408 3.310 20 5 EGBDLO CCO[C@H]1CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000057828566 454150140 /nfs/dbraw/zinc/15/01/40/454150140.db2.gz HFOUIORAWJPUGL-INIZCTEOSA-N 1 2 342.399 3.366 20 5 EGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000091810463 454474232 /nfs/dbraw/zinc/47/42/32/454474232.db2.gz DOWCTHGUWXIZBZ-LBPRGKRZSA-N 1 2 332.356 3.084 20 5 EGBDLO COc1ccc(-c2ccc(C[N@H+]3CCOC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000091810463 454474235 /nfs/dbraw/zinc/47/42/35/454474235.db2.gz DOWCTHGUWXIZBZ-LBPRGKRZSA-N 1 2 332.356 3.084 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000065163305 454534521 /nfs/dbraw/zinc/53/45/21/454534521.db2.gz HMKXNEWEPHGBQO-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000065163305 454534523 /nfs/dbraw/zinc/53/45/23/454534523.db2.gz HMKXNEWEPHGBQO-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cn21 ZINC000134895947 454604966 /nfs/dbraw/zinc/60/49/66/454604966.db2.gz DAGJWJSAVVZTNP-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO Cc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000104970093 454613012 /nfs/dbraw/zinc/61/30/12/454613012.db2.gz QKYFKMJYNJAAMS-UHFFFAOYSA-N 1 2 343.387 3.312 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000080921150 454647809 /nfs/dbraw/zinc/64/78/09/454647809.db2.gz HGXLFCAPWXMVJH-UHFFFAOYSA-N 1 2 349.774 3.024 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000080921150 454647813 /nfs/dbraw/zinc/64/78/13/454647813.db2.gz HGXLFCAPWXMVJH-UHFFFAOYSA-N 1 2 349.774 3.024 20 5 EGBDLO Cc1cc(NCc2[nH+]ccn2CCc2ccccc2)ncc1[N+](=O)[O-] ZINC000081033081 454675236 /nfs/dbraw/zinc/67/52/36/454675236.db2.gz BUWGHIDIWBIDEV-UHFFFAOYSA-N 1 2 337.383 3.350 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000093388823 454711521 /nfs/dbraw/zinc/71/15/21/454711521.db2.gz OFVQPZWONFKRCJ-IBGZPJMESA-N 1 2 342.395 3.172 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000093388823 454711523 /nfs/dbraw/zinc/71/15/23/454711523.db2.gz OFVQPZWONFKRCJ-IBGZPJMESA-N 1 2 342.395 3.172 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176258467 454718242 /nfs/dbraw/zinc/71/82/42/454718242.db2.gz UNCYBULWYDVELD-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO C[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000176386939 454737501 /nfs/dbraw/zinc/73/75/01/454737501.db2.gz GRTGSXHERSTQIG-CYBMUJFWSA-N 1 2 344.415 3.155 20 5 EGBDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153553484 454806048 /nfs/dbraw/zinc/80/60/48/454806048.db2.gz MCDFKLJRQZXRHV-GFCCVEGCSA-N 1 2 347.371 3.046 20 5 EGBDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153553484 454806051 /nfs/dbraw/zinc/80/60/51/454806051.db2.gz MCDFKLJRQZXRHV-GFCCVEGCSA-N 1 2 347.371 3.046 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000163031260 454818508 /nfs/dbraw/zinc/81/85/08/454818508.db2.gz PIHKSJJRCKLSCV-MLGOLLRUSA-N 1 2 343.387 3.215 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000266931583 455477380 /nfs/dbraw/zinc/47/73/80/455477380.db2.gz MRIFIRLGRPFLBS-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000266931583 455477385 /nfs/dbraw/zinc/47/73/85/455477385.db2.gz MRIFIRLGRPFLBS-VXGBXAGGSA-N 1 2 338.713 3.136 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179827993 455085661 /nfs/dbraw/zinc/08/56/61/455085661.db2.gz BIEUGRNURZLLJF-UHFFFAOYSA-N 1 2 338.367 3.098 20 5 EGBDLO COc1ccnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1OC ZINC000190739005 455376415 /nfs/dbraw/zinc/37/64/15/455376415.db2.gz UOMREDRNUVDCKY-UHFFFAOYSA-N 1 2 343.383 3.172 20 5 EGBDLO COc1ccnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1OC ZINC000190739005 455376418 /nfs/dbraw/zinc/37/64/18/455376418.db2.gz UOMREDRNUVDCKY-UHFFFAOYSA-N 1 2 343.383 3.172 20 5 EGBDLO COc1cc[nH+]c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1OC ZINC000190739005 455376419 /nfs/dbraw/zinc/37/64/19/455376419.db2.gz UOMREDRNUVDCKY-UHFFFAOYSA-N 1 2 343.383 3.172 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000182621047 455555076 /nfs/dbraw/zinc/55/50/76/455555076.db2.gz JHZVRJXATXVSOS-MRXNPFEDSA-N 1 2 340.427 3.177 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000182621047 455555081 /nfs/dbraw/zinc/55/50/81/455555081.db2.gz JHZVRJXATXVSOS-MRXNPFEDSA-N 1 2 340.427 3.177 20 5 EGBDLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@]1=O ZINC000277679142 455632799 /nfs/dbraw/zinc/63/27/99/455632799.db2.gz QEBCEMCUZLRHLZ-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@]1=O ZINC000277679142 455632802 /nfs/dbraw/zinc/63/28/02/455632802.db2.gz QEBCEMCUZLRHLZ-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO Cc1cc(N[C@@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000271451431 455641784 /nfs/dbraw/zinc/64/17/84/455641784.db2.gz XIJABPVBAUNVMD-GXTWGEPZSA-N 1 2 328.372 3.340 20 5 EGBDLO CO[C@H](C)c1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285163475 455799608 /nfs/dbraw/zinc/79/96/08/455799608.db2.gz AQYGVTFSJVVFLC-GFCCVEGCSA-N 1 2 335.429 3.433 20 5 EGBDLO CO[C@H](C)c1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000285163475 455799614 /nfs/dbraw/zinc/79/96/14/455799614.db2.gz AQYGVTFSJVVFLC-GFCCVEGCSA-N 1 2 335.429 3.433 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174666 455811711 /nfs/dbraw/zinc/81/17/11/455811711.db2.gz SHBOZORFPYTOLG-ZBFHGGJFSA-N 1 2 333.432 3.064 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174666 455811716 /nfs/dbraw/zinc/81/17/16/455811716.db2.gz SHBOZORFPYTOLG-ZBFHGGJFSA-N 1 2 333.432 3.064 20 5 EGBDLO COc1cc(CNc2cccc[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272236573 455887034 /nfs/dbraw/zinc/88/70/34/455887034.db2.gz ABTXMQYZNUYUJL-UHFFFAOYSA-N 1 2 339.298 3.254 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270238260 455909595 /nfs/dbraw/zinc/90/95/95/455909595.db2.gz HJJCVYUEHMGPGF-SNVBAGLBSA-N 1 2 343.305 3.116 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270238260 455909600 /nfs/dbraw/zinc/90/96/00/455909600.db2.gz HJJCVYUEHMGPGF-SNVBAGLBSA-N 1 2 343.305 3.116 20 5 EGBDLO CCc1cc(NC[C@@](C)(O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301290079 456082312 /nfs/dbraw/zinc/08/23/12/456082312.db2.gz WKDDCYZUEHOEGH-GOSISDBHSA-N 1 2 344.415 3.433 20 5 EGBDLO Cc1cc(NC[C@@H]2CCC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301384197 456104019 /nfs/dbraw/zinc/10/40/19/456104019.db2.gz BQEBBDHRWPIEQE-CZUORRHYSA-N 1 2 342.399 3.323 20 5 EGBDLO Cc1ccc(CN(C)Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000271154106 456143687 /nfs/dbraw/zinc/14/36/87/456143687.db2.gz MBMLYENZDCBAJZ-UHFFFAOYSA-N 1 2 342.321 3.294 20 5 EGBDLO C[C@@H]1C[N@H+](C(C)(C)CNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301807487 456219234 /nfs/dbraw/zinc/21/92/34/456219234.db2.gz WQOTXXCIEDMHRE-PHIMTYICSA-N 1 2 343.374 3.173 20 5 EGBDLO C[C@@H]1C[N@@H+](C(C)(C)CNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301807487 456219240 /nfs/dbraw/zinc/21/92/40/456219240.db2.gz WQOTXXCIEDMHRE-PHIMTYICSA-N 1 2 343.374 3.173 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c(Cl)c1 ZINC000281573933 456269077 /nfs/dbraw/zinc/26/90/77/456269077.db2.gz CTBRKYRSMKGYGI-KRWDZBQOSA-N 1 2 348.786 3.008 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000281874293 456346511 /nfs/dbraw/zinc/34/65/11/456346511.db2.gz RPFSXXDLDJLQDO-NSHDSACASA-N 1 2 334.401 3.240 20 5 EGBDLO Cc1cccc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)c1[N+](=O)[O-] ZINC000302513581 456352630 /nfs/dbraw/zinc/35/26/30/456352630.db2.gz ULXOIFIGERWOCB-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000302810504 456407349 /nfs/dbraw/zinc/40/73/49/456407349.db2.gz GXPZIFUKTJGBTH-RYUDHWBXSA-N 1 2 327.812 3.078 20 5 EGBDLO COc1ccc(OCCSc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000303915979 456493391 /nfs/dbraw/zinc/49/33/91/456493391.db2.gz NTENKVNFXACQAX-UHFFFAOYSA-N 1 2 345.380 3.422 20 5 EGBDLO Cc1cc(CN(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000301076222 456791190 /nfs/dbraw/zinc/79/11/90/456791190.db2.gz DLIIFJCKWKXGBD-UHFFFAOYSA-N 1 2 339.355 3.293 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000283525297 456796441 /nfs/dbraw/zinc/79/64/41/456796441.db2.gz KPXUSPCYCVLHAC-UHFFFAOYSA-N 1 2 348.790 3.092 20 5 EGBDLO CCN(C[C@@H]1CCCO1)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301130615 456804200 /nfs/dbraw/zinc/80/42/00/456804200.db2.gz XVHKOZDJBLETIU-INIZCTEOSA-N 1 2 342.399 3.366 20 5 EGBDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000353645115 456825537 /nfs/dbraw/zinc/82/55/37/456825537.db2.gz RJQBZTOFLVBQKS-VNHYZAJKSA-N 1 2 342.399 3.335 20 5 EGBDLO CN(C)C(=O)C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000341446543 456864644 /nfs/dbraw/zinc/86/46/44/456864644.db2.gz AADROUYCBKLNBF-INIZCTEOSA-N 1 2 345.374 3.043 20 5 EGBDLO O=[N+]([O-])c1c(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc2sccn21 ZINC000341929289 457007928 /nfs/dbraw/zinc/00/79/28/457007928.db2.gz ADVYEYQERLVYDJ-UHFFFAOYSA-N 1 2 340.368 3.306 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000339585408 457156095 /nfs/dbraw/zinc/15/60/95/457156095.db2.gz WINRYNVGFWRUKK-XNTDXEJSSA-N 1 2 349.394 3.369 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])cc1F ZINC000346997793 457193808 /nfs/dbraw/zinc/19/38/08/457193808.db2.gz OJPNPJPNPPRMDH-HNNXBMFYSA-N 1 2 331.347 3.475 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])cc1F ZINC000346997793 457193814 /nfs/dbraw/zinc/19/38/14/457193814.db2.gz OJPNPJPNPPRMDH-HNNXBMFYSA-N 1 2 331.347 3.475 20 5 EGBDLO Cc1cc[nH+]c(N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000360027292 457212245 /nfs/dbraw/zinc/21/22/45/457212245.db2.gz HFQVHOKGYHAQLA-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3C)cn2c1 ZINC000356933388 457228597 /nfs/dbraw/zinc/22/85/97/457228597.db2.gz YBMMPUMPAREYMC-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332028008 457291423 /nfs/dbraw/zinc/29/14/23/457291423.db2.gz YYYSJSBAJNQCGV-QVDUIBETSA-N 1 2 334.416 3.062 20 5 EGBDLO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332028008 457291429 /nfs/dbraw/zinc/29/14/29/457291429.db2.gz YYYSJSBAJNQCGV-QVDUIBETSA-N 1 2 334.416 3.062 20 5 EGBDLO C[C@@H](CCC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000347506640 457473986 /nfs/dbraw/zinc/47/39/86/457473986.db2.gz RVMPNZMCPUECCY-LBPRGKRZSA-N 1 2 328.372 3.089 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000370063503 457525318 /nfs/dbraw/zinc/52/53/18/457525318.db2.gz RALNITIPKSKCMT-NSHDSACASA-N 1 2 348.790 3.002 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000361168413 457627219 /nfs/dbraw/zinc/62/72/19/457627219.db2.gz KBALJLCADMLOJU-SFHVURJKSA-N 1 2 341.411 3.270 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000361168413 457627222 /nfs/dbraw/zinc/62/72/22/457627222.db2.gz KBALJLCADMLOJU-SFHVURJKSA-N 1 2 341.411 3.270 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000366572096 457857378 /nfs/dbraw/zinc/85/73/78/457857378.db2.gz ALHXFERSDIPWRI-NSHDSACASA-N 1 2 346.416 3.252 20 5 EGBDLO COC(=O)c1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000411335805 457859738 /nfs/dbraw/zinc/85/97/38/457859738.db2.gz QNRTXEMPOSOMJE-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO COC(=O)c1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000411335805 457859741 /nfs/dbraw/zinc/85/97/41/457859741.db2.gz QNRTXEMPOSOMJE-UHFFFAOYSA-N 1 2 332.381 3.001 20 5 EGBDLO COc1ccc(-c2ccc(CNc3cc[nH+]cc3F)o2)c([N+](=O)[O-])c1 ZINC000361801565 457870258 /nfs/dbraw/zinc/87/02/58/457870258.db2.gz WRHDRDOITCYSHQ-UHFFFAOYSA-N 1 2 343.314 3.432 20 5 EGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000444778274 457974728 /nfs/dbraw/zinc/97/47/28/457974728.db2.gz VRKLHOSFLUFIQR-KRWDZBQOSA-N 1 2 338.379 3.432 20 5 EGBDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000444778274 457974732 /nfs/dbraw/zinc/97/47/32/457974732.db2.gz VRKLHOSFLUFIQR-KRWDZBQOSA-N 1 2 338.379 3.432 20 5 EGBDLO Cc1c(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000428932195 458234122 /nfs/dbraw/zinc/23/41/22/458234122.db2.gz QALPYSVRQOEWIC-ZDUSSCGKSA-N 1 2 332.322 3.445 20 5 EGBDLO Cc1c(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000428932195 458234127 /nfs/dbraw/zinc/23/41/27/458234127.db2.gz QALPYSVRQOEWIC-ZDUSSCGKSA-N 1 2 332.322 3.445 20 5 EGBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000372251137 458248249 /nfs/dbraw/zinc/24/82/49/458248249.db2.gz XJQARDPMWAFQSF-CYBMUJFWSA-N 1 2 343.387 3.107 20 5 EGBDLO O=C1[C@H]([N@@H+]2CC[C@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437566015 458467698 /nfs/dbraw/zinc/46/76/98/458467698.db2.gz GYKROUGHTOKQLJ-ZWKOTPCHSA-N 1 2 337.379 3.147 20 5 EGBDLO O=C1[C@H]([N@H+]2CC[C@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437566015 458467704 /nfs/dbraw/zinc/46/77/04/458467704.db2.gz GYKROUGHTOKQLJ-ZWKOTPCHSA-N 1 2 337.379 3.147 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437572735 458469104 /nfs/dbraw/zinc/46/91/04/458469104.db2.gz XAJAJNXBIQNORT-SUMWQHHRSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437572735 458469109 /nfs/dbraw/zinc/46/91/09/458469109.db2.gz XAJAJNXBIQNORT-SUMWQHHRSA-N 1 2 325.368 3.369 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ncnn1-c1ccccc1 ZINC000530365789 458755901 /nfs/dbraw/zinc/75/59/01/458755901.db2.gz BFUDAXODWNZYBL-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(C2CC2)CC1 ZINC000590765071 459208490 /nfs/dbraw/zinc/20/84/90/459208490.db2.gz OMIUKZFKMLJNDO-UHFFFAOYSA-N 1 2 340.383 3.043 20 5 EGBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000595288165 459267705 /nfs/dbraw/zinc/26/77/05/459267705.db2.gz KVSUOYXTTNQMPP-CQSZACIVSA-N 1 2 347.371 3.246 20 5 EGBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000595288165 459267709 /nfs/dbraw/zinc/26/77/09/459267709.db2.gz KVSUOYXTTNQMPP-CQSZACIVSA-N 1 2 347.371 3.246 20 5 EGBDLO Cc1noc(C[N@H+](C)CCCOc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000595293666 459268889 /nfs/dbraw/zinc/26/88/89/459268889.db2.gz RTNBCXJZMPUEQK-UHFFFAOYSA-N 1 2 339.779 3.446 20 5 EGBDLO Cc1noc(C[N@@H+](C)CCCOc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000595293666 459268898 /nfs/dbraw/zinc/26/88/98/459268898.db2.gz RTNBCXJZMPUEQK-UHFFFAOYSA-N 1 2 339.779 3.446 20 5 EGBDLO Cc1noc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595329341 459277748 /nfs/dbraw/zinc/27/77/48/459277748.db2.gz QQBZWCKWKDJDPQ-ZDUSSCGKSA-N 1 2 347.346 3.125 20 5 EGBDLO Cc1noc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595329341 459277754 /nfs/dbraw/zinc/27/77/54/459277754.db2.gz QQBZWCKWKDJDPQ-ZDUSSCGKSA-N 1 2 347.346 3.125 20 5 EGBDLO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595807998 459448838 /nfs/dbraw/zinc/44/88/38/459448838.db2.gz NYLYNIODQHBKMB-AWEZNQCLSA-N 1 2 329.404 3.154 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(CCCC3)O1)CCO2 ZINC000562072364 459509276 /nfs/dbraw/zinc/50/92/76/459509276.db2.gz NLIYKKAHXRYDIC-INIZCTEOSA-N 1 2 332.400 3.281 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(CCCC3)O1)CCO2 ZINC000562072364 459509279 /nfs/dbraw/zinc/50/92/79/459509279.db2.gz NLIYKKAHXRYDIC-INIZCTEOSA-N 1 2 332.400 3.281 20 5 EGBDLO C[C@@H]1C[N@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434037 459634874 /nfs/dbraw/zinc/63/48/74/459634874.db2.gz WTYGAHSSKPJZAJ-GHMZBOCLSA-N 1 2 329.347 3.054 20 5 EGBDLO C[C@@H]1C[N@@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434037 459634878 /nfs/dbraw/zinc/63/48/78/459634878.db2.gz WTYGAHSSKPJZAJ-GHMZBOCLSA-N 1 2 329.347 3.054 20 5 EGBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000593058108 459759631 /nfs/dbraw/zinc/75/96/31/459759631.db2.gz JKJZLKBBPFILKI-GFCCVEGCSA-N 1 2 326.368 3.132 20 5 EGBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000593058108 459759636 /nfs/dbraw/zinc/75/96/36/459759636.db2.gz JKJZLKBBPFILKI-GFCCVEGCSA-N 1 2 326.368 3.132 20 5 EGBDLO O=[N+]([O-])c1cccc(/C=C/c2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000545626976 459841930 /nfs/dbraw/zinc/84/19/30/459841930.db2.gz ULXPMNBXPOSBFM-BQYQJAHWSA-N 1 2 347.334 3.387 20 5 EGBDLO Cc1cc(NC(=O)NCC[NH+]2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000613779211 459931418 /nfs/dbraw/zinc/93/14/18/459931418.db2.gz OUUVFJQFFCEURJ-UHFFFAOYSA-N 1 2 340.383 3.041 20 5 EGBDLO CSc1ccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH+]c1 ZINC000602567441 460000730 /nfs/dbraw/zinc/00/07/30/460000730.db2.gz DLQDKOMPQAGWDA-UHFFFAOYSA-N 1 2 345.428 3.188 20 5 EGBDLO COc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000614222922 460053919 /nfs/dbraw/zinc/05/39/19/460053919.db2.gz RLSQHSFWOMRQNP-UHFFFAOYSA-N 1 2 338.379 3.135 20 5 EGBDLO COc1cc(C[N@H+]2CCOCC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000614222922 460053923 /nfs/dbraw/zinc/05/39/23/460053923.db2.gz RLSQHSFWOMRQNP-UHFFFAOYSA-N 1 2 338.379 3.135 20 5 EGBDLO COc1ccncc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602671623 460058539 /nfs/dbraw/zinc/05/85/39/460058539.db2.gz VXMFLNCEASILJZ-UHFFFAOYSA-N 1 2 341.289 3.307 20 5 EGBDLO COC(=O)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000610087502 460060735 /nfs/dbraw/zinc/06/07/35/460060735.db2.gz BJUQATKSGZTNJO-SFHVURJKSA-N 1 2 342.395 3.421 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000589300738 460067898 /nfs/dbraw/zinc/06/78/98/460067898.db2.gz CEYIXIDSPGRUSN-RDJZCZTQSA-N 1 2 342.399 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000589300738 460067904 /nfs/dbraw/zinc/06/79/04/460067904.db2.gz CEYIXIDSPGRUSN-RDJZCZTQSA-N 1 2 342.399 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3CCC[N@@H+]3CC(F)F)c2c1 ZINC000599133101 460169992 /nfs/dbraw/zinc/16/99/92/460169992.db2.gz AKXRHZGGXNECHO-ZDUSSCGKSA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3CCC[N@H+]3CC(F)F)c2c1 ZINC000599133101 460169997 /nfs/dbraw/zinc/16/99/97/460169997.db2.gz AKXRHZGGXNECHO-ZDUSSCGKSA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(CN3CCCC[C@H]3c3[nH]cc[nH+]3)nc2c1 ZINC000610821705 460243043 /nfs/dbraw/zinc/24/30/43/460243043.db2.gz VRODQHKGASKQSM-ZDUSSCGKSA-N 1 2 327.344 3.186 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1)OCCO2 ZINC000610938730 460263081 /nfs/dbraw/zinc/26/30/81/460263081.db2.gz POFFIEGEKKQLRJ-AWEZNQCLSA-N 1 2 329.356 3.031 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1)OCCO2 ZINC000610938730 460263082 /nfs/dbraw/zinc/26/30/82/460263082.db2.gz POFFIEGEKKQLRJ-AWEZNQCLSA-N 1 2 329.356 3.031 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512621 460264643 /nfs/dbraw/zinc/26/46/43/460264643.db2.gz LJRUKGQVOMDNAV-TXEJJXNPSA-N 1 2 341.358 3.065 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512621 460264646 /nfs/dbraw/zinc/26/46/46/460264646.db2.gz LJRUKGQVOMDNAV-TXEJJXNPSA-N 1 2 341.358 3.065 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599621599 460289080 /nfs/dbraw/zinc/28/90/80/460289080.db2.gz BNGYGVWLSSOKBM-SNVBAGLBSA-N 1 2 338.314 3.264 20 5 EGBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599621599 460289084 /nfs/dbraw/zinc/28/90/84/460289084.db2.gz BNGYGVWLSSOKBM-SNVBAGLBSA-N 1 2 338.314 3.264 20 5 EGBDLO Cc1cc(N(C)[C@@H]2CCSC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611133055 460294980 /nfs/dbraw/zinc/29/49/80/460294980.db2.gz VJUXPXDQFWRNMY-CQSZACIVSA-N 1 2 330.413 3.302 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccccn1)OCCO2 ZINC000611254936 460318192 /nfs/dbraw/zinc/31/81/92/460318192.db2.gz WUHGCEOTRICAHP-HNNXBMFYSA-N 1 2 341.367 3.098 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccn1)OCCO2 ZINC000611254936 460318193 /nfs/dbraw/zinc/31/81/93/460318193.db2.gz WUHGCEOTRICAHP-HNNXBMFYSA-N 1 2 341.367 3.098 20 5 EGBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000611273763 460325463 /nfs/dbraw/zinc/32/54/63/460325463.db2.gz ICAVXVHDUSNQDP-OIISXLGYSA-N 1 2 334.416 3.326 20 5 EGBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000611273763 460325466 /nfs/dbraw/zinc/32/54/66/460325466.db2.gz ICAVXVHDUSNQDP-OIISXLGYSA-N 1 2 334.416 3.326 20 5 EGBDLO C[N@@H+]1CCO[C@H](c2nc(-c3c4ccccc4nc4ccccc43)no2)C1 ZINC000624750433 461104114 /nfs/dbraw/zinc/10/41/14/461104114.db2.gz TZNBHSOHNNOSRG-KRWDZBQOSA-N 1 2 346.390 3.441 20 5 EGBDLO C[N@H+]1CCO[C@H](c2nc(-c3c4ccccc4nc4ccccc43)no2)C1 ZINC000624750433 461104121 /nfs/dbraw/zinc/10/41/21/461104121.db2.gz TZNBHSOHNNOSRG-KRWDZBQOSA-N 1 2 346.390 3.441 20 5 EGBDLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000181817739 527101568 /nfs/dbraw/zinc/10/15/68/527101568.db2.gz JYZXQQHZZVLNOO-JTQLQIEISA-N 1 2 334.401 3.169 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000192260441 528860448 /nfs/dbraw/zinc/86/04/48/528860448.db2.gz YICZRWKFPCYDGI-UHFFFAOYSA-N 1 2 344.415 3.215 20 5 EGBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000741803958 575441842 /nfs/dbraw/zinc/44/18/42/575441842.db2.gz LCWNCOVHLQAEIZ-ZDUSSCGKSA-N 1 2 335.404 3.036 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000741803958 575441843 /nfs/dbraw/zinc/44/18/43/575441843.db2.gz LCWNCOVHLQAEIZ-ZDUSSCGKSA-N 1 2 335.404 3.036 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000736822381 576042114 /nfs/dbraw/zinc/04/21/14/576042114.db2.gz ZYFHCOJPMLBYIL-UHFFFAOYSA-N 1 2 334.303 3.111 20 5 EGBDLO CC[N@@H+](Cc1cccc(-c2ccncc2)c1)Cn1nccc1[N+](=O)[O-] ZINC000742158287 576752994 /nfs/dbraw/zinc/75/29/94/576752994.db2.gz DMUPIBILPCMDGB-UHFFFAOYSA-N 1 2 337.383 3.333 20 5 EGBDLO CC[N@H+](Cc1cccc(-c2ccncc2)c1)Cn1nccc1[N+](=O)[O-] ZINC000742158287 576752996 /nfs/dbraw/zinc/75/29/96/576752996.db2.gz DMUPIBILPCMDGB-UHFFFAOYSA-N 1 2 337.383 3.333 20 5 EGBDLO Cc1ccc(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000076265839 1292422433 /nfs/dbraw/zinc/42/24/33/1292422433.db2.gz WDAKYGBFJBFFJS-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO Cc1ccc(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000076265839 1292422437 /nfs/dbraw/zinc/42/24/37/1292422437.db2.gz WDAKYGBFJBFFJS-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000118414567 1293236257 /nfs/dbraw/zinc/23/62/57/1293236257.db2.gz SZPFTAPOOFIXDK-VHSXEESVSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000118414567 1293236267 /nfs/dbraw/zinc/23/62/67/1293236267.db2.gz SZPFTAPOOFIXDK-VHSXEESVSA-N 1 2 343.836 3.013 20 5 EGBDLO CSC(C)(C)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835274193 1293249477 /nfs/dbraw/zinc/24/94/77/1293249477.db2.gz MRBLLTZLHYKABW-UHFFFAOYSA-N 1 2 335.385 3.079 20 5 EGBDLO Cc1c(CNc2ccc([NH+]3CCC(O)CC3)cc2)cccc1[N+](=O)[O-] ZINC000873018153 1297227593 /nfs/dbraw/zinc/22/75/93/1297227593.db2.gz JHQRCSKHGXKDAG-UHFFFAOYSA-N 1 2 341.411 3.476 20 5 EGBDLO Cc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c(N(C)C)[nH+]1 ZINC000749984294 1299319047 /nfs/dbraw/zinc/31/90/47/1299319047.db2.gz ZAIHLLYGTDEBKZ-XFFZJAGNSA-N 1 2 326.356 3.016 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000879053543 1300341126 /nfs/dbraw/zinc/34/11/26/1300341126.db2.gz WKIIEEWUINUMNU-JTQLQIEISA-N 1 2 338.314 3.264 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000879053543 1300341135 /nfs/dbraw/zinc/34/11/35/1300341135.db2.gz WKIIEEWUINUMNU-JTQLQIEISA-N 1 2 338.314 3.264 20 5 EGBDLO O=[N+]([O-])c1c(F)nccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000882175227 1301860778 /nfs/dbraw/zinc/86/07/78/1301860778.db2.gz YWNBAGBGWBIKOA-UHFFFAOYSA-N 1 2 333.367 3.022 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])cc1F ZINC000886279279 1303419338 /nfs/dbraw/zinc/41/93/38/1303419338.db2.gz UYWUMJSLFPXZCI-HNNXBMFYSA-N 1 2 331.347 3.475 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])cc1F ZINC000886279279 1303419344 /nfs/dbraw/zinc/41/93/44/1303419344.db2.gz UYWUMJSLFPXZCI-HNNXBMFYSA-N 1 2 331.347 3.475 20 5 EGBDLO O=C(CC[N@H+](CC(F)F)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000887100858 1303675652 /nfs/dbraw/zinc/67/56/52/1303675652.db2.gz USEFTCPUXPICEZ-UHFFFAOYSA-N 1 2 327.331 3.043 20 5 EGBDLO O=C(CC[N@@H+](CC(F)F)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000887100858 1303675657 /nfs/dbraw/zinc/67/56/57/1303675657.db2.gz USEFTCPUXPICEZ-UHFFFAOYSA-N 1 2 327.331 3.043 20 5 EGBDLO CC[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCS1 ZINC000774634992 1303837758 /nfs/dbraw/zinc/83/77/58/1303837758.db2.gz GXULTSUXQWFZFY-LBPRGKRZSA-N 1 2 340.836 3.383 20 5 EGBDLO CC[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CCS1 ZINC000774634992 1303837760 /nfs/dbraw/zinc/83/77/60/1303837760.db2.gz GXULTSUXQWFZFY-LBPRGKRZSA-N 1 2 340.836 3.383 20 5 EGBDLO Cn1cccc1C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639390 1303839061 /nfs/dbraw/zinc/83/90/61/1303839061.db2.gz KXFDLEYEITXTSO-UHFFFAOYSA-N 1 2 333.779 3.026 20 5 EGBDLO Cn1cccc1C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639390 1303839067 /nfs/dbraw/zinc/83/90/67/1303839067.db2.gz KXFDLEYEITXTSO-UHFFFAOYSA-N 1 2 333.779 3.026 20 5 EGBDLO Cc1nn(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000779858842 1304616233 /nfs/dbraw/zinc/61/62/33/1304616233.db2.gz FZWIMRMEVHVUCF-UHFFFAOYSA-N 1 2 332.379 3.151 20 5 EGBDLO CC(=O)c1ccc(N2CCC(Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000895352685 1309295947 /nfs/dbraw/zinc/29/59/47/1309295947.db2.gz JUMLFWAENUWYGT-UHFFFAOYSA-N 1 2 340.383 3.273 20 5 EGBDLO Cc1cc(Cl)c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000825727663 1320358440 /nfs/dbraw/zinc/35/84/40/1320358440.db2.gz WCNQMQDYHIUPDL-LBPRGKRZSA-N 1 2 348.790 3.230 20 5 EGBDLO CC(C)c1ccc(C(=O)OCCCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000802790183 1317041471 /nfs/dbraw/zinc/04/14/71/1317041471.db2.gz WMNMVSVFOZMARP-UHFFFAOYSA-N 1 2 331.372 3.241 20 5 EGBDLO Nc1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000804610214 1317266467 /nfs/dbraw/zinc/26/64/67/1317266467.db2.gz XBGQIZIOWDJMII-UHFFFAOYSA-N 1 2 329.404 3.070 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C3OCCO3)s2)cc1[N+](=O)[O-] ZINC000809624601 1317848939 /nfs/dbraw/zinc/84/89/39/1317848939.db2.gz MBQIHZFUMKZDSB-LLVKDONJSA-N 1 2 349.412 3.256 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC[N@H+]1CC=CCC1 ZINC000811500119 1318186136 /nfs/dbraw/zinc/18/61/36/1318186136.db2.gz XRHJMORWMQNAOT-UHFFFAOYSA-N 1 2 330.215 3.253 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC[N@@H+]1CC=CCC1 ZINC000811500119 1318186138 /nfs/dbraw/zinc/18/61/38/1318186138.db2.gz XRHJMORWMQNAOT-UHFFFAOYSA-N 1 2 330.215 3.253 20 5 EGBDLO C[C@]1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000816138416 1319109594 /nfs/dbraw/zinc/10/95/94/1319109594.db2.gz ZNVCBEANYPHCHA-UOIKSKOESA-N 1 2 341.367 3.374 20 5 EGBDLO CC(=O)CCCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000837683360 1320665711 /nfs/dbraw/zinc/66/57/11/1320665711.db2.gz QFQPPYGBDFHSOR-UHFFFAOYSA-N 1 2 345.355 3.087 20 5 EGBDLO CC1(C)C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@@H]2COC[C@@H]21 ZINC000840152175 1321040264 /nfs/dbraw/zinc/04/02/64/1321040264.db2.gz DFCXYCVDRPWSSF-WCQYABFASA-N 1 2 349.412 3.186 20 5 EGBDLO CC1(C)C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@@H]2COC[C@@H]21 ZINC000840152175 1321040268 /nfs/dbraw/zinc/04/02/68/1321040268.db2.gz DFCXYCVDRPWSSF-WCQYABFASA-N 1 2 349.412 3.186 20 5 EGBDLO COC1(C(F)(F)F)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000842162080 1321356131 /nfs/dbraw/zinc/35/61/31/1321356131.db2.gz VOINHDODOVQPIX-UHFFFAOYSA-N 1 2 336.285 3.277 20 5 EGBDLO C[C@@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)F ZINC000842440104 1321387070 /nfs/dbraw/zinc/38/70/70/1321387070.db2.gz IYWWNWYGXMUHKQ-SNVBAGLBSA-N 1 2 339.298 3.229 20 5 EGBDLO O=C(OCC1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000851397988 1323031281 /nfs/dbraw/zinc/03/12/81/1323031281.db2.gz MRLCNZQPRMZXCE-UHFFFAOYSA-N 1 2 341.367 3.063 20 5 EGBDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000852777085 1323242316 /nfs/dbraw/zinc/24/23/16/1323242316.db2.gz RCKPQVWQGSLWAL-GASCZTMLSA-N 1 2 347.415 3.179 20 5 EGBDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000852777085 1323242322 /nfs/dbraw/zinc/24/23/22/1323242322.db2.gz RCKPQVWQGSLWAL-GASCZTMLSA-N 1 2 347.415 3.179 20 5 EGBDLO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC000927111690 1327870464 /nfs/dbraw/zinc/87/04/64/1327870464.db2.gz GECSROJWNXBEHQ-LBPRGKRZSA-N 1 2 344.415 3.455 20 5 EGBDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000867627313 1330211680 /nfs/dbraw/zinc/21/16/80/1330211680.db2.gz FNLMMKLSMIZUQM-UHFFFAOYSA-N 1 2 349.412 3.126 20 5 EGBDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029450457 1340992873 /nfs/dbraw/zinc/99/28/73/1340992873.db2.gz KRVOOCVRJRNPFM-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029450457 1340992874 /nfs/dbraw/zinc/99/28/74/1340992874.db2.gz KRVOOCVRJRNPFM-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO Cc1cc(C)c(C(=O)NCCNc2ccc([N+](=O)[O-])c(C)c2)c(C)[nH+]1 ZINC001094292685 1361764754 /nfs/dbraw/zinc/76/47/54/1361764754.db2.gz ZVEJBCMHOOFCDH-UHFFFAOYSA-N 1 2 342.399 3.065 20 5 EGBDLO COc1ncc(Nc2ccc[nH+]c2N2CCCCC2)cc1[N+](=O)[O-] ZINC001210135759 1372278965 /nfs/dbraw/zinc/27/89/65/1372278965.db2.gz BBWDGBIBTXQZME-UHFFFAOYSA-N 1 2 329.360 3.127 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001210954209 1372460089 /nfs/dbraw/zinc/46/00/89/1372460089.db2.gz YIHDOUMTELWUQE-UHFFFAOYSA-N 1 2 331.347 3.310 20 5 EGBDLO COC(=O)[C@H]1[NH2+]CC[C@H]1OCc1c2ccccc2cc2ccccc21 ZINC001217890806 1373510634 /nfs/dbraw/zinc/51/06/34/1373510634.db2.gz ZRPPQYPRLXHBQO-UXHICEINSA-N 1 2 335.403 3.413 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218006659 1373534653 /nfs/dbraw/zinc/53/46/53/1373534653.db2.gz NEWCMPPCCGLNMV-SNVBAGLBSA-N 1 2 327.114 3.278 20 5 EGBDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001226386651 1375250764 /nfs/dbraw/zinc/25/07/64/1375250764.db2.gz PXDBLXOEFPQTHJ-OAHLLOKOSA-N 1 2 342.395 3.361 20 5 EGBDLO CC(C)(C)[NH+]1CC(Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001226790497 1375336375 /nfs/dbraw/zinc/33/63/75/1375336375.db2.gz RWHSVZICJCIRQJ-UHFFFAOYSA-N 1 2 329.194 3.219 20 5 EGBDLO Cc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001228832742 1375688951 /nfs/dbraw/zinc/68/89/51/1375688951.db2.gz BUFXBYYRIIUUQH-IBGZPJMESA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001228832742 1375688964 /nfs/dbraw/zinc/68/89/64/1375688964.db2.gz BUFXBYYRIIUUQH-IBGZPJMESA-N 1 2 342.395 3.183 20 5 EGBDLO Nc1cc(CNc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC001156761315 1380628660 /nfs/dbraw/zinc/62/86/60/1380628660.db2.gz RPQXTFNTVYUOCE-UHFFFAOYSA-N 1 2 329.747 3.386 20 5 EGBDLO Cc1c(C)c(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)ncc1[N+](=O)[O-] ZINC001156785024 1380635360 /nfs/dbraw/zinc/63/53/60/1380635360.db2.gz ZCCLBHDGHUTZFY-UHFFFAOYSA-N 1 2 337.383 3.429 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)nc1Cl ZINC001158144846 1381140518 /nfs/dbraw/zinc/14/05/18/1381140518.db2.gz HQCVFJJEVVZLRN-UHFFFAOYSA-N 1 2 331.763 3.254 20 5 EGBDLO O=C(NCCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001159088947 1381576767 /nfs/dbraw/zinc/57/67/67/1381576767.db2.gz LBBXJFHGDMEPAJ-UHFFFAOYSA-N 1 2 349.456 3.095 20 5 EGBDLO O=C(NCCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001159088947 1381576782 /nfs/dbraw/zinc/57/67/82/1381576782.db2.gz LBBXJFHGDMEPAJ-UHFFFAOYSA-N 1 2 349.456 3.095 20 5 EGBDLO COc1cc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)cc1F ZINC001169003395 1384084670 /nfs/dbraw/zinc/08/46/70/1384084670.db2.gz DTYSOEGOOACZKE-UHFFFAOYSA-N 1 2 330.319 3.045 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCOC[C@@H]2C(C)C)c1F ZINC001173194001 1384934192 /nfs/dbraw/zinc/93/41/92/1384934192.db2.gz WCHHDFDAIBAMJE-SWLSCSKDSA-N 1 2 340.395 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCOC[C@@H]2C(C)C)c1F ZINC001173194001 1384934194 /nfs/dbraw/zinc/93/41/94/1384934194.db2.gz WCHHDFDAIBAMJE-SWLSCSKDSA-N 1 2 340.395 3.030 20 5 EGBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC001173223925 1384939194 /nfs/dbraw/zinc/93/91/94/1384939194.db2.gz BRWGBCBCNJRUDQ-ZDUSSCGKSA-N 1 2 349.431 3.077 20 5 EGBDLO C[C@H](OC(=O)C[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001341786326 1390529377 /nfs/dbraw/zinc/52/93/77/1390529377.db2.gz PTYJBSDSGGESAK-AWEZNQCLSA-N 1 2 328.368 3.331 20 5 EGBDLO C[C@H](OC(=O)C[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001341786326 1390529380 /nfs/dbraw/zinc/52/93/80/1390529380.db2.gz PTYJBSDSGGESAK-AWEZNQCLSA-N 1 2 328.368 3.331 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000174294365 296202217 /nfs/dbraw/zinc/20/22/17/296202217.db2.gz FZOMRJMLJJVUCP-DZGCQCFKSA-N 1 2 340.383 3.185 20 5 EGBDLO Cc1cnc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000267420111 251042278 /nfs/dbraw/zinc/04/22/78/251042278.db2.gz KGEKICURVYVAAE-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172985393 144032820 /nfs/dbraw/zinc/03/28/20/144032820.db2.gz KBKOSGWHBOVMLO-NWDGAFQWSA-N 1 2 339.355 3.452 20 5 EGBDLO CCn1c2ccccc2[nH+]c1NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000185741074 144118836 /nfs/dbraw/zinc/11/88/36/144118836.db2.gz RGVNUYYAUIRROM-UHFFFAOYSA-N 1 2 342.355 3.291 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361570824 144329621 /nfs/dbraw/zinc/32/96/21/144329621.db2.gz YNUPUEXFRVHHLC-UHFFFAOYSA-N 1 2 328.343 3.487 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361570824 144329622 /nfs/dbraw/zinc/32/96/22/144329622.db2.gz YNUPUEXFRVHHLC-UHFFFAOYSA-N 1 2 328.343 3.487 20 5 EGBDLO CC(C)(COCc1ccccc1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000337298436 154267195 /nfs/dbraw/zinc/26/71/95/154267195.db2.gz OYUVVMHPKLBSDC-UHFFFAOYSA-N 1 2 330.384 3.385 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993278 156234702 /nfs/dbraw/zinc/23/47/02/156234702.db2.gz ZADKAJIHCTZZPC-OAHLLOKOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993278 156234706 /nfs/dbraw/zinc/23/47/06/156234706.db2.gz ZADKAJIHCTZZPC-OAHLLOKOSA-N 1 2 340.383 3.074 20 5 EGBDLO CC[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000337173108 163153508 /nfs/dbraw/zinc/15/35/08/163153508.db2.gz GBRXEGDPHNWJSZ-KRWDZBQOSA-N 1 2 337.383 3.416 20 5 EGBDLO COc1cc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)ccc1F ZINC000338630694 163297903 /nfs/dbraw/zinc/29/79/03/163297903.db2.gz ANPXEHWIEVCTJB-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO Cc1[nH+]c2ccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2n1C ZINC000354714297 166016603 /nfs/dbraw/zinc/01/66/03/166016603.db2.gz SPXPDELKBCOWTO-LLVKDONJSA-N 1 2 338.367 3.281 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])c(-c2nc(Cc3ccc(C)[nH+]c3)no2)c1 ZINC000346159250 164352727 /nfs/dbraw/zinc/35/27/27/164352727.db2.gz UYGUPODDYIEPSN-UHFFFAOYSA-N 1 2 340.339 3.338 20 5 EGBDLO Cc1cccn2cc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])[nH+]c12 ZINC000346404412 164381143 /nfs/dbraw/zinc/38/11/43/164381143.db2.gz CJYWVFWIDGHTGV-UHFFFAOYSA-N 1 2 344.758 3.134 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000355117611 166111230 /nfs/dbraw/zinc/11/12/30/166111230.db2.gz ZKFDUGNAVFTOEI-JTQLQIEISA-N 1 2 333.413 3.399 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000365037675 168013979 /nfs/dbraw/zinc/01/39/79/168013979.db2.gz AMTGCFFKHRMJSW-UHFFFAOYSA-N 1 2 337.383 3.312 20 5 EGBDLO Cc1cccc2c1N(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000193323089 266024150 /nfs/dbraw/zinc/02/41/50/266024150.db2.gz GRBGTURJPBQLGY-UHFFFAOYSA-N 1 2 348.362 3.292 20 5 EGBDLO Cc1cc(NCCC[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270309660 266495992 /nfs/dbraw/zinc/49/59/92/266495992.db2.gz SANNKBOEKDCQJE-GFCCVEGCSA-N 1 2 330.388 3.181 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000273526793 267053356 /nfs/dbraw/zinc/05/33/56/267053356.db2.gz ZYTWTCPNWQBJCN-CYBMUJFWSA-N 1 2 333.323 3.216 20 5 EGBDLO Cc1ccc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000274328205 267218536 /nfs/dbraw/zinc/21/85/36/267218536.db2.gz VPIRQGMMVXEMHO-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000007129319 275117648 /nfs/dbraw/zinc/11/76/48/275117648.db2.gz NSBOGCQCIVMLCS-UHFFFAOYSA-N 1 2 341.327 3.273 20 5 EGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000103466579 275162607 /nfs/dbraw/zinc/16/26/07/275162607.db2.gz IRORWEHOXYNCCE-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000103466579 275162608 /nfs/dbraw/zinc/16/26/08/275162608.db2.gz IRORWEHOXYNCCE-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285045556 275844332 /nfs/dbraw/zinc/84/43/32/275844332.db2.gz IEVYQMSDUGRLQT-LLVKDONJSA-N 1 2 348.403 3.331 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCCC2(CCC2)C1 ZINC000359728068 304802254 /nfs/dbraw/zinc/80/22/54/304802254.db2.gz HKRWGEOBYPDGQS-UHFFFAOYSA-N 1 2 345.443 3.198 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066845922 307363477 /nfs/dbraw/zinc/36/34/77/307363477.db2.gz MWRIGDIQERCEOG-GOSISDBHSA-N 1 2 330.359 3.350 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066845922 307363478 /nfs/dbraw/zinc/36/34/78/307363478.db2.gz MWRIGDIQERCEOG-GOSISDBHSA-N 1 2 330.359 3.350 20 5 EGBDLO CC[C@@](C)([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000072684674 307381495 /nfs/dbraw/zinc/38/14/95/307381495.db2.gz AZCWCGRLCRYKGQ-MRXNPFEDSA-N 1 2 348.428 3.213 20 5 EGBDLO Cc1ccc(C[NH2+]Cc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000414499616 309084859 /nfs/dbraw/zinc/08/48/59/309084859.db2.gz ASAQDSQQJVGAAX-UHFFFAOYSA-N 1 2 326.278 3.002 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nnc(C4CC4)[nH]3)o2)cc1 ZINC000294898944 308269398 /nfs/dbraw/zinc/26/93/98/308269398.db2.gz XBUFWDUKXBUYKS-UHFFFAOYSA-N 1 2 339.355 3.140 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1NCc1ccc(-n3cc[nH+]c3)cc1)CCN2 ZINC000302432407 308737272 /nfs/dbraw/zinc/73/72/72/308737272.db2.gz LQHHRAZCPPPBQM-UHFFFAOYSA-N 1 2 335.367 3.361 20 5 EGBDLO Cc1ccc2nc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)cn2c1 ZINC000341274412 308880099 /nfs/dbraw/zinc/88/00/99/308880099.db2.gz FJDQSPATEGLCCR-UHFFFAOYSA-N 1 2 330.775 3.494 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@](O)(C(F)(F)F)C3)c2c1 ZINC000413152472 309018425 /nfs/dbraw/zinc/01/84/25/309018425.db2.gz CQDMUQBSILUBOK-AWEZNQCLSA-N 1 2 341.289 3.037 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421919938 309346418 /nfs/dbraw/zinc/34/64/18/309346418.db2.gz NHHKRVFVQNFXIZ-UHFFFAOYSA-N 1 2 343.383 3.000 20 5 EGBDLO CC[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000443121366 309895682 /nfs/dbraw/zinc/89/56/82/309895682.db2.gz CTPSABVKICKXIG-CYBMUJFWSA-N 1 2 330.388 3.497 20 5 EGBDLO COc1ccc(-c2ccc(C[NH2+]C(CF)CF)o2)c([N+](=O)[O-])c1 ZINC000449380222 310057638 /nfs/dbraw/zinc/05/76/38/310057638.db2.gz MFUFVPUNRQPQMA-UHFFFAOYSA-N 1 2 326.299 3.261 20 5 EGBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449663768 310078803 /nfs/dbraw/zinc/07/88/03/310078803.db2.gz PAIITWFOJOJFLP-OFQRWUPVSA-N 1 2 334.416 3.236 20 5 EGBDLO O=C(NCC1(C2CC2)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450202653 310108420 /nfs/dbraw/zinc/10/84/20/310108420.db2.gz USMYQZSJYRIIAQ-UHFFFAOYSA-N 1 2 340.383 3.091 20 5 EGBDLO CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450380968 310119324 /nfs/dbraw/zinc/11/93/24/310119324.db2.gz TVXWFQOZSORVMF-GXTWGEPZSA-N 1 2 328.372 3.184 20 5 EGBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000452337312 310224106 /nfs/dbraw/zinc/22/41/06/310224106.db2.gz ZJVCIGFZAYYFDK-UHFFFAOYSA-N 1 2 326.312 3.126 20 5 EGBDLO COc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000455492454 310363699 /nfs/dbraw/zinc/36/36/99/310363699.db2.gz ZXOVUKDLMRPBLT-UHFFFAOYSA-N 1 2 344.371 3.245 20 5 EGBDLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000463250913 310610452 /nfs/dbraw/zinc/61/04/52/310610452.db2.gz RZORVGNOJPCLIW-UHFFFAOYSA-N 1 2 328.347 3.446 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000492336625 311239106 /nfs/dbraw/zinc/23/91/06/311239106.db2.gz WBXPPTDEQWNGCZ-NSHDSACASA-N 1 2 347.793 3.410 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000492336625 311239107 /nfs/dbraw/zinc/23/91/07/311239107.db2.gz WBXPPTDEQWNGCZ-NSHDSACASA-N 1 2 347.793 3.410 20 5 EGBDLO CCn1cc[nH+]c1/C=C\C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492540734 311263529 /nfs/dbraw/zinc/26/35/29/311263529.db2.gz WLHXVJRBSNXCDG-KTKRTIGZSA-N 1 2 340.383 3.016 20 5 EGBDLO CC(C)c1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000505908449 312039024 /nfs/dbraw/zinc/03/90/24/312039024.db2.gz XLHXQUFWWGIURJ-UHFFFAOYSA-N 1 2 340.427 3.435 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000510133150 312133718 /nfs/dbraw/zinc/13/37/18/312133718.db2.gz IIYMGROFYIXWRU-VXGBXAGGSA-N 1 2 346.362 3.486 20 5 EGBDLO CC[C@H]1CO[C@H](C)CN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535234685 314033958 /nfs/dbraw/zinc/03/39/58/314033958.db2.gz VCBRESFMRSUMKT-HIFRSBDPSA-N 1 2 342.399 3.364 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000536173532 314097735 /nfs/dbraw/zinc/09/77/35/314097735.db2.gz QQFRPQFHPKNYEP-UHFFFAOYSA-N 1 2 347.415 3.220 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000536173532 314097739 /nfs/dbraw/zinc/09/77/39/314097739.db2.gz QQFRPQFHPKNYEP-UHFFFAOYSA-N 1 2 347.415 3.220 20 5 EGBDLO Cc1cc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)c[nH+]1 ZINC000547351834 314892166 /nfs/dbraw/zinc/89/21/66/314892166.db2.gz AEKCZRWFBFGNDC-UHFFFAOYSA-N 1 2 334.763 3.004 20 5 EGBDLO Cc1cc(N2CC(n3cc[nH+]c3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580867045 325302522 /nfs/dbraw/zinc/30/25/22/325302522.db2.gz RBTCIZOPIDXGEL-UHFFFAOYSA-N 1 2 326.278 3.180 20 5 EGBDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000014524666 453538166 /nfs/dbraw/zinc/53/81/66/453538166.db2.gz QJVQDRPMMHGPDW-UHFFFAOYSA-N 1 2 346.412 3.290 20 5 EGBDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000015296010 453564816 /nfs/dbraw/zinc/56/48/16/453564816.db2.gz IAHFXGGATGCJDI-UHFFFAOYSA-N 1 2 349.337 3.334 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000015296010 453564821 /nfs/dbraw/zinc/56/48/21/453564821.db2.gz IAHFXGGATGCJDI-UHFFFAOYSA-N 1 2 349.337 3.334 20 5 EGBDLO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016470623 453608572 /nfs/dbraw/zinc/60/85/72/453608572.db2.gz FCUWSEKKHLTBTF-UHFFFAOYSA-N 1 2 327.384 3.241 20 5 EGBDLO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016470623 453608575 /nfs/dbraw/zinc/60/85/75/453608575.db2.gz FCUWSEKKHLTBTF-UHFFFAOYSA-N 1 2 327.384 3.241 20 5 EGBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(F)c1 ZINC000023816584 453717775 /nfs/dbraw/zinc/71/77/75/453717775.db2.gz JJJJHDPIJWOHNI-UHFFFAOYSA-N 1 2 342.330 3.416 20 5 EGBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(F)c1 ZINC000023816584 453717778 /nfs/dbraw/zinc/71/77/78/453717778.db2.gz JJJJHDPIJWOHNI-UHFFFAOYSA-N 1 2 342.330 3.416 20 5 EGBDLO O=[N+]([O-])c1cc(CSc2[nH+]cc3ccccn32)c2c(c1)COCO2 ZINC000024502785 453736325 /nfs/dbraw/zinc/73/63/25/453736325.db2.gz WQFDIYUHIFAXAP-UHFFFAOYSA-N 1 2 343.364 3.401 20 5 EGBDLO Cc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032042904 453862662 /nfs/dbraw/zinc/86/26/62/453862662.db2.gz OICWVBHXOZBZPI-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032170771 453865783 /nfs/dbraw/zinc/86/57/83/453865783.db2.gz UBDBPLPIFYMDFL-HIFRSBDPSA-N 1 2 342.399 3.431 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000054225553 453917256 /nfs/dbraw/zinc/91/72/56/453917256.db2.gz IALZRRXILTXIBL-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000076119535 453966970 /nfs/dbraw/zinc/96/69/70/453966970.db2.gz NQVQXWQJQKVZCH-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000076119535 453966974 /nfs/dbraw/zinc/96/69/74/453966974.db2.gz NQVQXWQJQKVZCH-GOSISDBHSA-N 1 2 328.368 3.047 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000067966679 453985037 /nfs/dbraw/zinc/98/50/37/453985037.db2.gz HDDIOMCKQOHBKR-CQSZACIVSA-N 1 2 328.372 3.007 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000067966679 453985039 /nfs/dbraw/zinc/98/50/39/453985039.db2.gz HDDIOMCKQOHBKR-CQSZACIVSA-N 1 2 328.372 3.007 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000085620324 454035312 /nfs/dbraw/zinc/03/53/12/454035312.db2.gz UUXNUMZIJVKDNX-CYBMUJFWSA-N 1 2 343.387 3.346 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1Nc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000057929645 454157148 /nfs/dbraw/zinc/15/71/48/454157148.db2.gz YADVMTPSBNMUGS-UHFFFAOYSA-N 1 2 331.347 3.439 20 5 EGBDLO Cc1cc[nH+]c(N2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000119365428 454189210 /nfs/dbraw/zinc/18/92/10/454189210.db2.gz SONSHNPYZUJXQT-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000133847218 454474388 /nfs/dbraw/zinc/47/43/88/454474388.db2.gz CVNFKNDTEMWZCY-AWEZNQCLSA-N 1 2 336.351 3.196 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000091895514 454485394 /nfs/dbraw/zinc/48/53/94/454485394.db2.gz IJRXTICFPBHUHB-UHFFFAOYSA-N 1 2 334.416 3.100 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000091895514 454485397 /nfs/dbraw/zinc/48/53/97/454485397.db2.gz IJRXTICFPBHUHB-UHFFFAOYSA-N 1 2 334.416 3.100 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)cn1 ZINC000079933029 454500452 /nfs/dbraw/zinc/50/04/52/454500452.db2.gz LGURKLSKLBEUHO-UHFFFAOYSA-N 1 2 327.388 3.377 20 5 EGBDLO CC[N@H+](Cc1ccoc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102517941 454507290 /nfs/dbraw/zinc/50/72/90/454507290.db2.gz KOZBFSBXUCMXNR-UHFFFAOYSA-N 1 2 328.328 3.260 20 5 EGBDLO CC[N@@H+](Cc1ccoc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102517941 454507297 /nfs/dbraw/zinc/50/72/97/454507297.db2.gz KOZBFSBXUCMXNR-UHFFFAOYSA-N 1 2 328.328 3.260 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000122786132 454569764 /nfs/dbraw/zinc/56/97/64/454569764.db2.gz MUFWXJUZMQAQKR-CYBMUJFWSA-N 1 2 345.359 3.086 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000092658191 454602825 /nfs/dbraw/zinc/60/28/25/454602825.db2.gz LUNMPGHSTOZOSE-UHFFFAOYSA-N 1 2 337.383 3.179 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cn2c(cccc2C)[nH+]1 ZINC000080637006 454610035 /nfs/dbraw/zinc/61/00/35/454610035.db2.gz HFPDGFOOKLHMLR-UHFFFAOYSA-N 1 2 326.356 3.309 20 5 EGBDLO COC(=O)c1coc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135238008 454651316 /nfs/dbraw/zinc/65/13/16/454651316.db2.gz NGEXNZMRMYMXGU-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO COC(=O)c1coc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135238008 454651319 /nfs/dbraw/zinc/65/13/19/454651319.db2.gz NGEXNZMRMYMXGU-UHFFFAOYSA-N 1 2 330.340 3.139 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162621491 454788618 /nfs/dbraw/zinc/78/86/18/454788618.db2.gz SFFORTNQEIMPFD-UHFFFAOYSA-N 1 2 349.431 3.121 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c2c(c1)COCO2 ZINC000125492694 454826579 /nfs/dbraw/zinc/82/65/79/454826579.db2.gz PBCHBQAKUMUWOM-KRWDZBQOSA-N 1 2 341.367 3.193 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccncc2)c2c(c1)COCO2 ZINC000125492694 454826582 /nfs/dbraw/zinc/82/65/82/454826582.db2.gz PBCHBQAKUMUWOM-KRWDZBQOSA-N 1 2 341.367 3.193 20 5 EGBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000127204697 454945576 /nfs/dbraw/zinc/94/55/76/454945576.db2.gz UWPHTFMFZWSPLW-LLVKDONJSA-N 1 2 349.412 3.124 20 5 EGBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000127204697 454945579 /nfs/dbraw/zinc/94/55/79/454945579.db2.gz UWPHTFMFZWSPLW-LLVKDONJSA-N 1 2 349.412 3.124 20 5 EGBDLO Cc1cc(C)nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000154997764 454952197 /nfs/dbraw/zinc/95/21/97/454952197.db2.gz AEYAJWCUXYHAPT-UHFFFAOYSA-N 1 2 337.339 3.045 20 5 EGBDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127555577 454977253 /nfs/dbraw/zinc/97/72/53/454977253.db2.gz TUIGNXUJTKYTAA-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127555577 454977254 /nfs/dbraw/zinc/97/72/54/454977254.db2.gz TUIGNXUJTKYTAA-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000182940552 455195022 /nfs/dbraw/zinc/19/50/22/455195022.db2.gz NAQRYDKLIWDXSM-INIZCTEOSA-N 1 2 340.427 3.177 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000246375587 455479106 /nfs/dbraw/zinc/47/91/06/455479106.db2.gz HDQLAHCTWBXUOZ-GUYCJALGSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000246375587 455479112 /nfs/dbraw/zinc/47/91/12/455479112.db2.gz HDQLAHCTWBXUOZ-GUYCJALGSA-N 1 2 348.424 3.497 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000283911937 455610703 /nfs/dbraw/zinc/61/07/03/455610703.db2.gz BWAABDRXDFGOOZ-OAHLLOKOSA-N 1 2 328.328 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000283911937 455610706 /nfs/dbraw/zinc/61/07/06/455610706.db2.gz BWAABDRXDFGOOZ-OAHLLOKOSA-N 1 2 328.328 3.235 20 5 EGBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1[N+](=O)[O-] ZINC000271526430 455672576 /nfs/dbraw/zinc/67/25/76/455672576.db2.gz PBNYPMJLGFUETO-MNOVXSKESA-N 1 2 333.392 3.086 20 5 EGBDLO Cc1cc(NCCC[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270309663 455925237 /nfs/dbraw/zinc/92/52/37/455925237.db2.gz SANNKBOEKDCQJE-LBPRGKRZSA-N 1 2 330.388 3.181 20 5 EGBDLO COc1cc(NCc2ccc(N3CCCC3)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000270561774 455984192 /nfs/dbraw/zinc/98/41/92/455984192.db2.gz LJBJZUKHKALLBL-UHFFFAOYSA-N 1 2 346.362 3.350 20 5 EGBDLO COc1cccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000270976372 456083186 /nfs/dbraw/zinc/08/31/86/456083186.db2.gz BBZAKEAIFCEMIG-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1cccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000270976372 456083196 /nfs/dbraw/zinc/08/31/96/456083196.db2.gz BBZAKEAIFCEMIG-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1cc(NCCn2c(C)[nH+]c3ccccc32)ccc1[N+](=O)[O-] ZINC000301334883 456092734 /nfs/dbraw/zinc/09/27/34/456092734.db2.gz CPZWYBFFVUTZNK-UHFFFAOYSA-N 1 2 326.356 3.374 20 5 EGBDLO O=[N+]([O-])c1ccc(Oc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000301333321 456092984 /nfs/dbraw/zinc/09/29/84/456092984.db2.gz BCOYJWNHWWBYHC-UHFFFAOYSA-N 1 2 326.268 3.481 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271215364 456177965 /nfs/dbraw/zinc/17/79/65/456177965.db2.gz WLOMNMCKRCPVPU-FPJCUDJDSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271215364 456177976 /nfs/dbraw/zinc/17/79/76/456177976.db2.gz WLOMNMCKRCPVPU-FPJCUDJDSA-N 1 2 348.424 3.196 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352785036 456305347 /nfs/dbraw/zinc/30/53/47/456305347.db2.gz SVEPVOUKALOSLY-MRXNPFEDSA-N 1 2 336.351 3.180 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000275760452 456306326 /nfs/dbraw/zinc/30/63/26/456306326.db2.gz MLSHJVTVJMMDTM-LBPRGKRZSA-N 1 2 329.360 3.038 20 5 EGBDLO CC[N@@H+](c1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1)C(C)C ZINC000290556894 456364044 /nfs/dbraw/zinc/36/40/44/456364044.db2.gz RESHWSAWEBABOI-UHFFFAOYSA-N 1 2 343.387 3.067 20 5 EGBDLO CC[N@H+](c1ccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])cc1)C(C)C ZINC000290556894 456364050 /nfs/dbraw/zinc/36/40/50/456364050.db2.gz RESHWSAWEBABOI-UHFFFAOYSA-N 1 2 343.387 3.067 20 5 EGBDLO CCc1cc(NC[C@H]2CC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277016797 456654769 /nfs/dbraw/zinc/65/47/69/456654769.db2.gz YNVNWUZSBFSOGZ-BLLLJJGKSA-N 1 2 342.399 3.187 20 5 EGBDLO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC12CCCCC2 ZINC000283023518 456692472 /nfs/dbraw/zinc/69/24/72/456692472.db2.gz HAIJYKRIEMHRRC-UHFFFAOYSA-N 1 2 349.406 3.101 20 5 EGBDLO CC(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC12CCCCC2 ZINC000283023518 456692479 /nfs/dbraw/zinc/69/24/79/456692479.db2.gz HAIJYKRIEMHRRC-UHFFFAOYSA-N 1 2 349.406 3.101 20 5 EGBDLO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000348548574 456757887 /nfs/dbraw/zinc/75/78/87/456757887.db2.gz QLSOYBROKRANEG-WGEXAZFCSA-N 1 2 336.457 3.230 20 5 EGBDLO CC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000348548574 456757893 /nfs/dbraw/zinc/75/78/93/456757893.db2.gz QLSOYBROKRANEG-WGEXAZFCSA-N 1 2 336.457 3.230 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000341366777 456858413 /nfs/dbraw/zinc/85/84/13/456858413.db2.gz CLFIPBDBBPCIPP-UHFFFAOYSA-N 1 2 340.383 3.202 20 5 EGBDLO COc1cc(C[NH2+][C@@H](C)c2ccon2)c([N+](=O)[O-])cc1OC(F)F ZINC000349196919 456911013 /nfs/dbraw/zinc/91/10/13/456911013.db2.gz IDQQJRZWMPDHAE-QMMMGPOBSA-N 1 2 343.286 3.044 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000339198425 456987840 /nfs/dbraw/zinc/98/78/40/456987840.db2.gz HDDJBOLBKQHZIV-HNNXBMFYSA-N 1 2 336.775 3.167 20 5 EGBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331983814 457283603 /nfs/dbraw/zinc/28/36/03/457283603.db2.gz LOSYCQXGXPMKRV-XZJROXQQSA-N 1 2 336.363 3.040 20 5 EGBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331983814 457283606 /nfs/dbraw/zinc/28/36/06/457283606.db2.gz LOSYCQXGXPMKRV-XZJROXQQSA-N 1 2 336.363 3.040 20 5 EGBDLO CC(C)(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000339846571 457307467 /nfs/dbraw/zinc/30/74/67/457307467.db2.gz KYSSFYGSOHLGBP-CYBMUJFWSA-N 1 2 342.399 3.002 20 5 EGBDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc([N+](=O)[O-])[nH]1 ZINC000339846065 457308093 /nfs/dbraw/zinc/30/80/93/457308093.db2.gz JHVIQDYMJDRESR-UHFFFAOYSA-N 1 2 349.350 3.090 20 5 EGBDLO CC(C)(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000360751919 457337388 /nfs/dbraw/zinc/33/73/88/457337388.db2.gz HCEUISRJVRKKMI-UHFFFAOYSA-N 1 2 342.399 3.337 20 5 EGBDLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)no1 ZINC000332342425 457353433 /nfs/dbraw/zinc/35/34/33/457353433.db2.gz QZXIJJDJUHUFSG-LBPRGKRZSA-N 1 2 346.387 3.186 20 5 EGBDLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)no1 ZINC000332342425 457353435 /nfs/dbraw/zinc/35/34/35/457353435.db2.gz QZXIJJDJUHUFSG-LBPRGKRZSA-N 1 2 346.387 3.186 20 5 EGBDLO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000347621403 457554477 /nfs/dbraw/zinc/55/44/77/457554477.db2.gz UHZIBQIMAVCMPJ-UHFFFAOYSA-N 1 2 348.428 3.449 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370147883 457563204 /nfs/dbraw/zinc/56/32/04/457563204.db2.gz HBUFAPYDKGBKRM-CYBMUJFWSA-N 1 2 330.388 3.236 20 5 EGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000366470531 457818753 /nfs/dbraw/zinc/81/87/53/457818753.db2.gz VANHJFXYYSADLH-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCCOC2)O1 ZINC000366470531 457818757 /nfs/dbraw/zinc/81/87/57/457818757.db2.gz VANHJFXYYSADLH-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO Cc1cc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc[nH+]1 ZINC000444011232 457842208 /nfs/dbraw/zinc/84/22/08/457842208.db2.gz RVBCRDSLOOCHIV-UHFFFAOYSA-N 1 2 347.349 3.198 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444698098 457945699 /nfs/dbraw/zinc/94/56/99/457945699.db2.gz BWFZXQOTVBXVQD-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444698098 457945707 /nfs/dbraw/zinc/94/57/07/457945707.db2.gz BWFZXQOTVBXVQD-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369397433 458202805 /nfs/dbraw/zinc/20/28/05/458202805.db2.gz GTTXZNNNJPZBQN-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369397433 458202810 /nfs/dbraw/zinc/20/28/10/458202810.db2.gz GTTXZNNNJPZBQN-XHBSWPGZSA-N 1 2 340.807 3.017 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000362484769 458209126 /nfs/dbraw/zinc/20/91/26/458209126.db2.gz MSAIPBVMEYJEGO-UHFFFAOYSA-N 1 2 330.363 3.147 20 5 EGBDLO CC[C@@]1(C)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447800115 458343464 /nfs/dbraw/zinc/34/34/64/458343464.db2.gz PUTDUIIODWYVKY-IBGZPJMESA-N 1 2 347.459 3.444 20 5 EGBDLO CCC1(CC)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447812287 458345098 /nfs/dbraw/zinc/34/50/98/458345098.db2.gz KUIMGESMSGJLQX-UHFFFAOYSA-N 1 2 347.459 3.444 20 5 EGBDLO COCC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430221378 458424367 /nfs/dbraw/zinc/42/43/67/458424367.db2.gz TXQKJLMTPJHJQV-UHFFFAOYSA-N 1 2 336.413 3.314 20 5 EGBDLO COCC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430221378 458424371 /nfs/dbraw/zinc/42/43/71/458424371.db2.gz TXQKJLMTPJHJQV-UHFFFAOYSA-N 1 2 336.413 3.314 20 5 EGBDLO CC(C)(C)c1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000373283388 458451252 /nfs/dbraw/zinc/45/12/52/458451252.db2.gz GTGPMZGCJXPTTA-UHFFFAOYSA-N 1 2 349.460 3.382 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000373638771 458560742 /nfs/dbraw/zinc/56/07/42/458560742.db2.gz NFHYCDZTEYFVFK-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000373638771 458560745 /nfs/dbraw/zinc/56/07/45/458560745.db2.gz NFHYCDZTEYFVFK-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nccn1C ZINC000494436811 458676954 /nfs/dbraw/zinc/67/69/54/458676954.db2.gz RBVFVHZUCGHUDQ-VIFPVBQESA-N 1 2 328.294 3.198 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000471168555 458682214 /nfs/dbraw/zinc/68/22/14/458682214.db2.gz IGVSUVWWBQEXEL-QGZVFWFLSA-N 1 2 325.368 3.289 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000471168555 458682221 /nfs/dbraw/zinc/68/22/21/458682221.db2.gz IGVSUVWWBQEXEL-QGZVFWFLSA-N 1 2 325.368 3.289 20 5 EGBDLO Cc1cc(N[C@@H](C)[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000503274708 458700263 /nfs/dbraw/zinc/70/02/63/458700263.db2.gz JTTNOTCGPNVJBO-DZGCQCFKSA-N 1 2 342.399 3.009 20 5 EGBDLO C[C@H]1CN(c2ccc(Nc3ccccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000530375044 458757803 /nfs/dbraw/zinc/75/78/03/458757803.db2.gz ANRZYZUYUGZNMH-STQMWFEESA-N 1 2 328.372 3.347 20 5 EGBDLO CO[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000440674708 458841177 /nfs/dbraw/zinc/84/11/77/458841177.db2.gz TVTRAYMJJFCEIU-BBRMVZONSA-N 1 2 342.399 3.364 20 5 EGBDLO O=[N+]([O-])c1cncc(Cl)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000590568881 459151266 /nfs/dbraw/zinc/15/12/66/459151266.db2.gz FAZCGJHKABZGET-UHFFFAOYSA-N 1 2 333.779 3.194 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c(C(F)(F)F)c1 ZINC000591144317 459321759 /nfs/dbraw/zinc/32/17/59/459321759.db2.gz YXVIEIAZFCJJEK-JTQLQIEISA-N 1 2 341.293 3.047 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)n1 ZINC000595657867 459386186 /nfs/dbraw/zinc/38/61/86/459386186.db2.gz QRCUCKFGGUXSNY-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)n1 ZINC000595657867 459386197 /nfs/dbraw/zinc/38/61/97/459386197.db2.gz QRCUCKFGGUXSNY-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO CC1C[C@H]2CC[C@@H](C1)N2c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596542109 459670739 /nfs/dbraw/zinc/67/07/39/459670739.db2.gz MBPFBWPPRYJIMR-ZXFUBFMLSA-N 1 2 345.443 3.194 20 5 EGBDLO CCO[C@@H](CC)c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000596620325 459701360 /nfs/dbraw/zinc/70/13/60/459701360.db2.gz DWCUJBUDUKXHJS-AWEZNQCLSA-N 1 2 343.343 3.318 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](CC)CO1 ZINC000593058498 459758976 /nfs/dbraw/zinc/75/89/76/459758976.db2.gz MWSUBSPPFWNWCG-ZFWWWQNUSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](CC)CO1 ZINC000593058498 459758979 /nfs/dbraw/zinc/75/89/79/459758979.db2.gz MWSUBSPPFWNWCG-ZFWWWQNUSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000608866915 459891544 /nfs/dbraw/zinc/89/15/44/459891544.db2.gz BGSXYJWJBXYRBL-HNNXBMFYSA-N 1 2 329.404 3.154 20 5 EGBDLO COc1ccc2[nH+]c(NCCOc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000609463885 459966402 /nfs/dbraw/zinc/96/64/02/459966402.db2.gz SFIRGKOYKRZAIK-UHFFFAOYSA-N 1 2 339.351 3.064 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000589502009 460094686 /nfs/dbraw/zinc/09/46/86/460094686.db2.gz AJQNKTXRKZHNOA-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000589502009 460094697 /nfs/dbraw/zinc/09/46/97/460094697.db2.gz AJQNKTXRKZHNOA-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000610433087 460150715 /nfs/dbraw/zinc/15/07/15/460150715.db2.gz WUJVOKDZWGVEIA-KRWDZBQOSA-N 1 2 340.358 3.462 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649040 460297964 /nfs/dbraw/zinc/29/79/64/460297964.db2.gz WUFWFNPGXOTPMV-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000599649040 460297967 /nfs/dbraw/zinc/29/79/67/460297967.db2.gz WUFWFNPGXOTPMV-UHFFFAOYSA-N 1 2 328.368 3.257 20 5 EGBDLO Cc1ccncc1[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000611940069 460491789 /nfs/dbraw/zinc/49/17/89/460491789.db2.gz REWMOXWQYJRIRC-LBPRGKRZSA-N 1 2 339.355 3.199 20 5 EGBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000171955033 534005038 /nfs/dbraw/zinc/00/50/38/534005038.db2.gz SLFYSBCPCXWUCA-JTQLQIEISA-N 1 2 329.422 3.001 20 5 EGBDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000171955033 534005047 /nfs/dbraw/zinc/00/50/47/534005047.db2.gz SLFYSBCPCXWUCA-JTQLQIEISA-N 1 2 329.422 3.001 20 5 EGBDLO CCC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000183857074 528231423 /nfs/dbraw/zinc/23/14/23/528231423.db2.gz FEUAJKMQEQYWCI-HNNXBMFYSA-N 1 2 329.404 3.154 20 5 EGBDLO CC[C@@](C)(OC)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000290190348 547410100 /nfs/dbraw/zinc/41/01/00/547410100.db2.gz UPEDXGSZJCRAJG-MRXNPFEDSA-N 1 2 343.343 3.102 20 5 EGBDLO Cc1cc(N[C@@H]2CCS[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592001059 574954345 /nfs/dbraw/zinc/95/43/45/574954345.db2.gz OSCMJFYGSRYWPS-SMDDNHRTSA-N 1 2 330.413 3.088 20 5 EGBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000065669268 1292086707 /nfs/dbraw/zinc/08/67/07/1292086707.db2.gz UBSPAOKGRJKBCC-UHFFFAOYSA-N 1 2 344.277 3.311 20 5 EGBDLO CC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000835648875 1293338660 /nfs/dbraw/zinc/33/86/60/1293338660.db2.gz LTYOWDRQTQMZBS-GFCCVEGCSA-N 1 2 343.261 3.278 20 5 EGBDLO CSCC[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000835813114 1293383623 /nfs/dbraw/zinc/38/36/23/1293383623.db2.gz AGVXXCNACUFWLZ-LLVKDONJSA-N 1 2 335.385 3.079 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000121782428 1293388702 /nfs/dbraw/zinc/38/87/02/1293388702.db2.gz VHSACGYNMHCBCH-QGZVFWFLSA-N 1 2 328.368 3.331 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000121782428 1293388713 /nfs/dbraw/zinc/38/87/13/1293388713.db2.gz VHSACGYNMHCBCH-QGZVFWFLSA-N 1 2 328.368 3.331 20 5 EGBDLO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000775650211 1304003785 /nfs/dbraw/zinc/00/37/85/1304003785.db2.gz PCOJQRIMLRSORX-CQSZACIVSA-N 1 2 337.383 3.085 20 5 EGBDLO CSc1cccc(C(=O)OCc2cccc3[nH+]ccn32)c1[N+](=O)[O-] ZINC000777338091 1304284411 /nfs/dbraw/zinc/28/44/11/1304284411.db2.gz YBMPXWXQILRVHA-UHFFFAOYSA-N 1 2 343.364 3.321 20 5 EGBDLO Cc1c(COC(=O)[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000780089166 1304637738 /nfs/dbraw/zinc/63/77/38/1304637738.db2.gz MBXVYCFADGAINH-KRWDZBQOSA-N 1 2 328.368 3.249 20 5 EGBDLO Cc1ccccc1CC(N)=[NH+]OCCOc1cccc([N+](=O)[O-])c1 ZINC000782337852 1304958211 /nfs/dbraw/zinc/95/82/11/1304958211.db2.gz VUKGAZMVYLAKAH-UHFFFAOYSA-N 1 2 329.356 3.023 20 5 EGBDLO COc1c(O)ccc(C[N@H+](Cc2ccc(C)o2)C2CC2)c1[N+](=O)[O-] ZINC000891592402 1305103559 /nfs/dbraw/zinc/10/35/59/1305103559.db2.gz IKHFAYMSRDZDDL-UHFFFAOYSA-N 1 2 332.356 3.375 20 5 EGBDLO COc1c(O)ccc(C[N@@H+](Cc2ccc(C)o2)C2CC2)c1[N+](=O)[O-] ZINC000891592402 1305103561 /nfs/dbraw/zinc/10/35/61/1305103561.db2.gz IKHFAYMSRDZDDL-UHFFFAOYSA-N 1 2 332.356 3.375 20 5 EGBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000791267092 1308944200 /nfs/dbraw/zinc/94/42/00/1308944200.db2.gz SMKNKLWZHWKLDH-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO Cc1ccc(CC2CC[NH+](Cn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000793520054 1309391107 /nfs/dbraw/zinc/39/11/07/1309391107.db2.gz KJWFORYZLSMBCQ-UHFFFAOYSA-N 1 2 328.416 3.320 20 5 EGBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(F)(F)CC1 ZINC000796541757 1310025350 /nfs/dbraw/zinc/02/53/50/1310025350.db2.gz NBMGLBIUXONWJL-JTQLQIEISA-N 1 2 338.314 3.437 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc21 ZINC000913058890 1318966547 /nfs/dbraw/zinc/96/65/47/1318966547.db2.gz WOCDKPGHWDARAQ-GFCCVEGCSA-N 1 2 339.351 3.080 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc21 ZINC000913058890 1318966557 /nfs/dbraw/zinc/96/65/57/1318966557.db2.gz WOCDKPGHWDARAQ-GFCCVEGCSA-N 1 2 339.351 3.080 20 5 EGBDLO Cc1cc(Cl)c(C(=O)OCc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000815406811 1318980286 /nfs/dbraw/zinc/98/02/86/1318980286.db2.gz WLELFWLPDNVOBO-UHFFFAOYSA-N 1 2 349.774 3.375 20 5 EGBDLO O=[N+]([O-])c1cc(Cn2c3ccccc3[nH+]c2NCCO)ccc1Cl ZINC000915671133 1319517461 /nfs/dbraw/zinc/51/74/61/1319517461.db2.gz IIGHGWRVDOKHOO-UHFFFAOYSA-N 1 2 346.774 3.050 20 5 EGBDLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(N(C)C)[nH+]1 ZINC000840403809 1321087098 /nfs/dbraw/zinc/08/70/98/1321087098.db2.gz QGEWJGNSIXSJFW-LSDHHAIUSA-N 1 2 340.383 3.106 20 5 EGBDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000859532198 1329010780 /nfs/dbraw/zinc/01/07/80/1329010780.db2.gz UWZZVPSWZCJPPA-UHFFFAOYSA-N 1 2 341.383 3.081 20 5 EGBDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000859532198 1329010784 /nfs/dbraw/zinc/01/07/84/1329010784.db2.gz UWZZVPSWZCJPPA-UHFFFAOYSA-N 1 2 341.383 3.081 20 5 EGBDLO Cc1ccc(NCCNC(=O)c2c(C)cc(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001094291436 1361764982 /nfs/dbraw/zinc/76/49/82/1361764982.db2.gz FNXJLMNCLQULEP-UHFFFAOYSA-N 1 2 342.399 3.065 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1-n1cc[nH+]c1 ZINC001326043646 1388104803 /nfs/dbraw/zinc/10/48/03/1388104803.db2.gz YQZCLYOIVUZBNN-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccccc1[N+](=O)[O-] ZINC001206158194 1370975498 /nfs/dbraw/zinc/97/54/98/1370975498.db2.gz RNPBXAMZBSUNEI-UHFFFAOYSA-N 1 2 339.355 3.490 20 5 EGBDLO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH+]c2ccccc12 ZINC001116817899 1370980277 /nfs/dbraw/zinc/98/02/77/1370980277.db2.gz FKBURQCIRFUITP-UHFFFAOYSA-N 1 2 337.383 3.489 20 5 EGBDLO COc1ncc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1[N+](=O)[O-] ZINC001210135461 1372278435 /nfs/dbraw/zinc/27/84/35/1372278435.db2.gz SXTQKAWAMRYZHZ-UHFFFAOYSA-N 1 2 330.731 3.366 20 5 EGBDLO Cc1c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC001225689685 1375144943 /nfs/dbraw/zinc/14/49/43/1375144943.db2.gz NMYPUOCRGOYBIH-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO Cc1c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC001225689685 1375144945 /nfs/dbraw/zinc/14/49/45/1375144945.db2.gz NMYPUOCRGOYBIH-QGZVFWFLSA-N 1 2 342.395 3.183 20 5 EGBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC001225912662 1375174808 /nfs/dbraw/zinc/17/48/08/1375174808.db2.gz LUZQPDGONIBDOW-MRXNPFEDSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC001225912662 1375174811 /nfs/dbraw/zinc/17/48/11/1375174811.db2.gz LUZQPDGONIBDOW-MRXNPFEDSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(O)c(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001229396802 1375828189 /nfs/dbraw/zinc/82/81/89/1375828189.db2.gz YZYWRLOKTCZEON-OAHLLOKOSA-N 1 2 346.358 3.483 20 5 EGBDLO O=[N+]([O-])c1ccc(O)c(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001229396802 1375828202 /nfs/dbraw/zinc/82/82/02/1375828202.db2.gz YZYWRLOKTCZEON-OAHLLOKOSA-N 1 2 346.358 3.483 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1F ZINC001173178952 1384931868 /nfs/dbraw/zinc/93/18/68/1384931868.db2.gz CIIIEDMUZHDVNS-NTZNESFSSA-N 1 2 328.359 3.353 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](C)[C@H](F)C2)c1F ZINC001173178952 1384931872 /nfs/dbraw/zinc/93/18/72/1384931872.db2.gz CIIIEDMUZHDVNS-NTZNESFSSA-N 1 2 328.359 3.353 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCO[C@@H](C(C)C)C2)c1F ZINC001173191384 1384933977 /nfs/dbraw/zinc/93/39/77/1384933977.db2.gz DEBDVBJWVZCDHW-BLLLJJGKSA-N 1 2 340.395 3.030 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCO[C@@H](C(C)C)C2)c1F ZINC001173191384 1384933980 /nfs/dbraw/zinc/93/39/80/1384933980.db2.gz DEBDVBJWVZCDHW-BLLLJJGKSA-N 1 2 340.395 3.030 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC001334962395 1390626343 /nfs/dbraw/zinc/62/63/43/1390626343.db2.gz OJPNUPVRHXFNBS-UHFFFAOYSA-N 1 2 348.428 3.454 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1nc(C)cs1 ZINC001351992001 1391740566 /nfs/dbraw/zinc/74/05/66/1391740566.db2.gz ZIOOQQRUPRZRCS-LLVKDONJSA-N 1 2 337.401 3.315 20 5 EGBDLO C[C@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC001353394299 1392001774 /nfs/dbraw/zinc/00/17/74/1392001774.db2.gz DVZGGQSSHSXEKY-XHDPSFHLSA-N 1 2 347.350 3.045 20 5 EGBDLO Cc1cc(N[C@@H](c2[nH+]ccn2C)c2ccccc2F)ncc1[N+](=O)[O-] ZINC000368538900 168369865 /nfs/dbraw/zinc/36/98/65/168369865.db2.gz NHQWLEHOCSBMSC-MRXNPFEDSA-N 1 2 341.346 3.372 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000003565467 210055633 /nfs/dbraw/zinc/05/56/33/210055633.db2.gz OMVAIQJAAKJIPP-GHMZBOCLSA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000003565467 210055639 /nfs/dbraw/zinc/05/56/39/210055639.db2.gz OMVAIQJAAKJIPP-GHMZBOCLSA-N 1 2 325.796 3.307 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000067030921 215106536 /nfs/dbraw/zinc/10/65/36/215106536.db2.gz XDDXCOWNFOGLFF-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000067030921 215106538 /nfs/dbraw/zinc/10/65/38/215106538.db2.gz XDDXCOWNFOGLFF-SFHVURJKSA-N 1 2 339.395 3.032 20 5 EGBDLO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccccc1OC ZINC000355556134 283292083 /nfs/dbraw/zinc/29/20/83/283292083.db2.gz QHLPOCRFPRODFI-ZDUSSCGKSA-N 1 2 332.404 3.310 20 5 EGBDLO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccccc1OC ZINC000355556134 283292087 /nfs/dbraw/zinc/29/20/87/283292087.db2.gz QHLPOCRFPRODFI-ZDUSSCGKSA-N 1 2 332.404 3.310 20 5 EGBDLO CCCN(CC1CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078939133 217153202 /nfs/dbraw/zinc/15/32/02/217153202.db2.gz UGTRFNGBLYSGMP-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000111375419 220148117 /nfs/dbraw/zinc/14/81/17/220148117.db2.gz IIKQMCJTEDIBFO-GHMZBOCLSA-N 1 2 348.428 3.292 20 5 EGBDLO CCc1cc(NCC2(C)COC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000112695840 220376760 /nfs/dbraw/zinc/37/67/60/220376760.db2.gz NYTWFNZFBMBAMF-UHFFFAOYSA-N 1 2 328.372 3.063 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOC4(CCC4)C3)co2)cc1 ZINC000154381273 224245650 /nfs/dbraw/zinc/24/56/50/224245650.db2.gz HHNVZPKEAMHXOT-UHFFFAOYSA-N 1 2 329.356 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOC4(CCC4)C3)co2)cc1 ZINC000154381273 224245651 /nfs/dbraw/zinc/24/56/51/224245651.db2.gz HHNVZPKEAMHXOT-UHFFFAOYSA-N 1 2 329.356 3.005 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[S@@]1=O ZINC000361663666 144346577 /nfs/dbraw/zinc/34/65/77/144346577.db2.gz VNTQEFJEHOAKCE-AHZSZHTNSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[S@@]1=O ZINC000361663666 144346579 /nfs/dbraw/zinc/34/65/79/144346579.db2.gz VNTQEFJEHOAKCE-AHZSZHTNSA-N 1 2 348.424 3.196 20 5 EGBDLO CCOC(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000107904751 162067948 /nfs/dbraw/zinc/06/79/48/162067948.db2.gz UUGGVTCZUBNTLL-UHFFFAOYSA-N 1 2 326.780 3.023 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344181670 164122029 /nfs/dbraw/zinc/12/20/29/164122029.db2.gz SDQNAIOVRXMEHS-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1[nH+]ccn1C ZINC000355313732 166161644 /nfs/dbraw/zinc/16/16/44/166161644.db2.gz JXBFTNZQWOSOCF-UHFFFAOYSA-N 1 2 326.356 3.220 20 5 EGBDLO Cn1c(C[NH2+]Cc2csc([N+](=O)[O-])c2)nc2cccc(Cl)c21 ZINC000358985757 167027957 /nfs/dbraw/zinc/02/79/57/167027957.db2.gz JPVYNORDVBDZMU-UHFFFAOYSA-N 1 2 336.804 3.486 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+](CC)c1ccccc1 ZINC000359391068 167143749 /nfs/dbraw/zinc/14/37/49/167143749.db2.gz LXVWRFMKSHCENQ-UHFFFAOYSA-N 1 2 331.420 3.448 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+](CC)c1ccccc1 ZINC000359391068 167143751 /nfs/dbraw/zinc/14/37/51/167143751.db2.gz LXVWRFMKSHCENQ-UHFFFAOYSA-N 1 2 331.420 3.448 20 5 EGBDLO CN(C)c1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2[nH+]1 ZINC000195072789 266158842 /nfs/dbraw/zinc/15/88/42/266158842.db2.gz JCEQQRVFLOOQAR-UHFFFAOYSA-N 1 2 326.312 3.054 20 5 EGBDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c(Br)cc1[N+](=O)[O-] ZINC000235154928 266207798 /nfs/dbraw/zinc/20/77/98/266207798.db2.gz FTVWRXUBITWNKM-JTQLQIEISA-N 1 2 339.193 3.363 20 5 EGBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271199188 266619905 /nfs/dbraw/zinc/61/99/05/266619905.db2.gz OYBVMABBXWPZNG-RSPPDBIESA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271199188 266619908 /nfs/dbraw/zinc/61/99/08/266619908.db2.gz OYBVMABBXWPZNG-RSPPDBIESA-N 1 2 348.424 3.196 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337397420 275039805 /nfs/dbraw/zinc/03/98/05/275039805.db2.gz GELABONJOSGBLK-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337397420 275039806 /nfs/dbraw/zinc/03/98/06/275039806.db2.gz GELABONJOSGBLK-UHFFFAOYSA-N 1 2 334.379 3.339 20 5 EGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000125302140 275191569 /nfs/dbraw/zinc/19/15/69/275191569.db2.gz SWOCPVOWWNFMBC-UHFFFAOYSA-N 1 2 334.372 3.153 20 5 EGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000125302140 275191570 /nfs/dbraw/zinc/19/15/70/275191570.db2.gz SWOCPVOWWNFMBC-UHFFFAOYSA-N 1 2 334.372 3.153 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279770733 275358142 /nfs/dbraw/zinc/35/81/42/275358142.db2.gz NAWMKLGINJDNSI-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279770733 275358143 /nfs/dbraw/zinc/35/81/43/275358143.db2.gz NAWMKLGINJDNSI-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281924095 275588950 /nfs/dbraw/zinc/58/89/50/275588950.db2.gz VSOVPRXDLTXJEE-HNNXBMFYSA-N 1 2 328.372 3.179 20 5 EGBDLO CCOc1cc(C[N@H+](CCOC)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000287526772 276128953 /nfs/dbraw/zinc/12/89/53/276128953.db2.gz VFQFFIIEXZXMAN-UHFFFAOYSA-N 1 2 345.399 3.037 20 5 EGBDLO CCOc1cc(C[N@@H+](CCOC)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000287526772 276128954 /nfs/dbraw/zinc/12/89/54/276128954.db2.gz VFQFFIIEXZXMAN-UHFFFAOYSA-N 1 2 345.399 3.037 20 5 EGBDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304078 276318924 /nfs/dbraw/zinc/31/89/24/276318924.db2.gz BVAREYOEINDVNL-ZPWHCFADSA-N 1 2 339.244 3.100 20 5 EGBDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304078 276318925 /nfs/dbraw/zinc/31/89/25/276318925.db2.gz BVAREYOEINDVNL-ZPWHCFADSA-N 1 2 339.244 3.100 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000289678631 276376949 /nfs/dbraw/zinc/37/69/49/276376949.db2.gz DYDVFZAGFYXMLM-OAHLLOKOSA-N 1 2 343.383 3.344 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])cc1OC ZINC000289678631 276376951 /nfs/dbraw/zinc/37/69/51/276376951.db2.gz DYDVFZAGFYXMLM-OAHLLOKOSA-N 1 2 343.383 3.344 20 5 EGBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000291234411 276611938 /nfs/dbraw/zinc/61/19/38/276611938.db2.gz XBMUHCMJKPKVII-INIZCTEOSA-N 1 2 340.383 3.041 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634881 288193675 /nfs/dbraw/zinc/19/36/75/288193675.db2.gz VNONIVKENPPELZ-HOCLYGCPSA-N 1 2 333.432 3.206 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634881 288193678 /nfs/dbraw/zinc/19/36/78/288193678.db2.gz VNONIVKENPPELZ-HOCLYGCPSA-N 1 2 333.432 3.206 20 5 EGBDLO Cc1ccc(-n2c[nH+]c3c2CCN(c2ncccc2[N+](=O)[O-])C3)cc1 ZINC000362951910 280746594 /nfs/dbraw/zinc/74/65/94/280746594.db2.gz OMGGFGHGOYIIBE-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053315040 307335387 /nfs/dbraw/zinc/33/53/87/307335387.db2.gz WQKLHLOHRIDEDS-LBPRGKRZSA-N 1 2 338.367 3.130 20 5 EGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(F)ncc3F)CC2)cc1 ZINC000294842804 308263304 /nfs/dbraw/zinc/26/33/04/308263304.db2.gz OJUMOPVFTFXMRW-UHFFFAOYSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000301093367 308687951 /nfs/dbraw/zinc/68/79/51/308687951.db2.gz LXGNQEYSBRXQLE-UHFFFAOYSA-N 1 2 346.350 3.336 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000301292172 308695395 /nfs/dbraw/zinc/69/53/95/308695395.db2.gz VGSAFYGZSIRPRU-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO CCc1nn(C)c(OC)c1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413229479 309022584 /nfs/dbraw/zinc/02/25/84/309022584.db2.gz RBJKGCKVTVQVAF-UHFFFAOYSA-N 1 2 341.371 3.060 20 5 EGBDLO CCC[C@@H](C)C(=O)NCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413304904 309025906 /nfs/dbraw/zinc/02/59/06/309025906.db2.gz QPBSSCBELUGTFH-GFCCVEGCSA-N 1 2 330.388 3.107 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC3)[nH]1)CCCC2 ZINC000417325798 309201746 /nfs/dbraw/zinc/20/17/46/309201746.db2.gz CGFMVUSRBBPLRI-OAHLLOKOSA-N 1 2 327.388 3.148 20 5 EGBDLO Cc1cc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc(C)[nH+]1 ZINC000421579965 309330637 /nfs/dbraw/zinc/33/06/37/309330637.db2.gz VBSIXXVHKOGTRP-LBPRGKRZSA-N 1 2 331.347 3.166 20 5 EGBDLO Cn1c2cc(F)ccc2[nH+]c1N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000431432829 309632933 /nfs/dbraw/zinc/63/29/33/309632933.db2.gz SRBHOJMXQKVCFK-UHFFFAOYSA-N 1 2 342.330 3.020 20 5 EGBDLO C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000447809606 309989343 /nfs/dbraw/zinc/98/93/43/309989343.db2.gz AXNBPBUQBNVBMJ-HNNXBMFYSA-N 1 2 347.459 3.299 20 5 EGBDLO CCC1(CC)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450086107 310102592 /nfs/dbraw/zinc/10/25/92/310102592.db2.gz CVWHPZZOXMJXLE-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000454607697 310319695 /nfs/dbraw/zinc/31/96/95/310319695.db2.gz KOKSAYKCPYOCDN-CHWSQXEVSA-N 1 2 345.403 3.241 20 5 EGBDLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000454608835 310319797 /nfs/dbraw/zinc/31/97/97/310319797.db2.gz KYSVWQPPSUNIKH-AWEZNQCLSA-N 1 2 342.399 3.475 20 5 EGBDLO C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456412639 310405010 /nfs/dbraw/zinc/40/50/10/310405010.db2.gz HLNMGYMXKOEJAM-YGRLFVJLSA-N 1 2 346.362 3.030 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197542 311135507 /nfs/dbraw/zinc/13/55/07/311135507.db2.gz BLVJNWLOEACINP-KDOFPFPSSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197542 311135508 /nfs/dbraw/zinc/13/55/08/311135508.db2.gz BLVJNWLOEACINP-KDOFPFPSSA-N 1 2 345.443 3.254 20 5 EGBDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000492413643 311248063 /nfs/dbraw/zinc/24/80/63/311248063.db2.gz YENDTIKXQSLYGK-GWJCSSMESA-N 1 2 328.372 3.010 20 5 EGBDLO CCn1cc[nH+]c1/C=C/C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492540735 311263424 /nfs/dbraw/zinc/26/34/24/311263424.db2.gz WLHXVJRBSNXCDG-MDZDMXLPSA-N 1 2 340.383 3.016 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000493360886 311365294 /nfs/dbraw/zinc/36/52/94/311365294.db2.gz KFGKQDZDZMOBQR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000493360886 311365296 /nfs/dbraw/zinc/36/52/96/311365296.db2.gz KFGKQDZDZMOBQR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000493360886 311365299 /nfs/dbraw/zinc/36/52/99/311365299.db2.gz KFGKQDZDZMOBQR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493360886 311365300 /nfs/dbraw/zinc/36/53/00/311365300.db2.gz KFGKQDZDZMOBQR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493360886 311365302 /nfs/dbraw/zinc/36/53/02/311365302.db2.gz KFGKQDZDZMOBQR-NSHDSACASA-N 1 2 335.795 3.054 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000514736174 312242509 /nfs/dbraw/zinc/24/25/09/312242509.db2.gz IDDGDBRYCSWHIJ-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000514736174 312242513 /nfs/dbraw/zinc/24/25/13/312242513.db2.gz IDDGDBRYCSWHIJ-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543862402 314660355 /nfs/dbraw/zinc/66/03/55/314660355.db2.gz QYXXNRXGZMGFLT-CQSZACIVSA-N 1 2 342.823 3.358 20 5 EGBDLO COC(=O)[C@@H](c1ccccc1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174584 315079773 /nfs/dbraw/zinc/07/97/73/315079773.db2.gz QMDOFVRXKAMBPH-GOSISDBHSA-N 1 2 342.395 3.292 20 5 EGBDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174584 315079777 /nfs/dbraw/zinc/07/97/77/315079777.db2.gz QMDOFVRXKAMBPH-GOSISDBHSA-N 1 2 342.395 3.292 20 5 EGBDLO CCc1cc(N[C@H]2CC[C@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000565793971 316370372 /nfs/dbraw/zinc/37/03/72/316370372.db2.gz AGYDLZLVMKVCPB-JSGCOSHPSA-N 1 2 330.363 3.339 20 5 EGBDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000349426632 324024964 /nfs/dbraw/zinc/02/49/64/324024964.db2.gz WGUAQXPXLIXHLY-MRXNPFEDSA-N 1 2 341.346 3.372 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000577385025 324797905 /nfs/dbraw/zinc/79/79/05/324797905.db2.gz KDGPHXBYTNFUKI-LLVKDONJSA-N 1 2 342.277 3.003 20 5 EGBDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000015449924 453573426 /nfs/dbraw/zinc/57/34/26/453573426.db2.gz DVLXXVDRVZWAOK-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000015449924 453573429 /nfs/dbraw/zinc/57/34/29/453573429.db2.gz DVLXXVDRVZWAOK-UHFFFAOYSA-N 1 2 343.383 3.064 20 5 EGBDLO CCc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000174152186 455364778 /nfs/dbraw/zinc/36/47/78/455364778.db2.gz JHSSXWVWCXKJQB-AWEZNQCLSA-N 1 2 328.372 3.248 20 5 EGBDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346950 453797815 /nfs/dbraw/zinc/79/78/15/453797815.db2.gz DMDSPXUODYLQMV-AWEZNQCLSA-N 1 2 339.395 3.004 20 5 EGBDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346950 453797816 /nfs/dbraw/zinc/79/78/16/453797816.db2.gz DMDSPXUODYLQMV-AWEZNQCLSA-N 1 2 339.395 3.004 20 5 EGBDLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029194352 453827269 /nfs/dbraw/zinc/82/72/69/453827269.db2.gz UDWOAKVSOOSJAF-LLVKDONJSA-N 1 2 331.397 3.214 20 5 EGBDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029194352 453827270 /nfs/dbraw/zinc/82/72/70/453827270.db2.gz UDWOAKVSOOSJAF-LLVKDONJSA-N 1 2 331.397 3.214 20 5 EGBDLO NC(=O)c1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000081604676 453894946 /nfs/dbraw/zinc/89/49/46/453894946.db2.gz RSOVHQWEQSDEEP-HNNXBMFYSA-N 1 2 345.786 3.294 20 5 EGBDLO NC(=O)c1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000081604676 453894950 /nfs/dbraw/zinc/89/49/50/453894950.db2.gz RSOVHQWEQSDEEP-HNNXBMFYSA-N 1 2 345.786 3.294 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000076496169 454008732 /nfs/dbraw/zinc/00/87/32/454008732.db2.gz QPLVTSHPYAUQCH-CYBMUJFWSA-N 1 2 345.424 3.003 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000076496169 454008735 /nfs/dbraw/zinc/00/87/35/454008735.db2.gz QPLVTSHPYAUQCH-CYBMUJFWSA-N 1 2 345.424 3.003 20 5 EGBDLO O=C(NCc1cn2ccccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043342897 454057886 /nfs/dbraw/zinc/05/78/86/454057886.db2.gz FPKJHIYJYWFMHA-UHFFFAOYSA-N 1 2 345.746 3.218 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130514669 454203076 /nfs/dbraw/zinc/20/30/76/454203076.db2.gz UJAJCDAMWURSTL-HUUCEWRRSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130514669 454203080 /nfs/dbraw/zinc/20/30/80/454203080.db2.gz UJAJCDAMWURSTL-HUUCEWRRSA-N 1 2 345.443 3.349 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCc4sccc4C3)n2)cc1 ZINC000047406723 454368134 /nfs/dbraw/zinc/36/81/34/454368134.db2.gz MTHIPEFXKAGEOP-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCc4sccc4C3)n2)cc1 ZINC000047406723 454368137 /nfs/dbraw/zinc/36/81/37/454368137.db2.gz MTHIPEFXKAGEOP-UHFFFAOYSA-N 1 2 342.380 3.265 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC000091506209 454442935 /nfs/dbraw/zinc/44/29/35/454442935.db2.gz FBVFJARNLHBHAD-UHFFFAOYSA-N 1 2 329.747 3.441 20 5 EGBDLO Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])s2)[NH+]2CCOCC2)c1 ZINC000064029507 454463720 /nfs/dbraw/zinc/46/37/20/454463720.db2.gz JDIAYARTEYXMNU-OAHLLOKOSA-N 1 2 347.440 3.450 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000091927524 454490331 /nfs/dbraw/zinc/49/03/31/454490331.db2.gz JMPTZJZPVFLSOR-ZWKOTPCHSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000091927524 454490333 /nfs/dbraw/zinc/49/03/33/454490333.db2.gz JMPTZJZPVFLSOR-ZWKOTPCHSA-N 1 2 334.416 3.098 20 5 EGBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231104 454649979 /nfs/dbraw/zinc/64/99/79/454649979.db2.gz WEQQNUGNAONLCO-YOEHRIQHSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231104 454649982 /nfs/dbraw/zinc/64/99/82/454649982.db2.gz WEQQNUGNAONLCO-YOEHRIQHSA-N 1 2 345.443 3.254 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOC4(CCCCC4)C3)nc2c1 ZINC000177157229 454830272 /nfs/dbraw/zinc/83/02/72/454830272.db2.gz MMGQJOROXDLJIE-UHFFFAOYSA-N 1 2 331.372 3.271 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOC4(CCCCC4)C3)nc2c1 ZINC000177157229 454830277 /nfs/dbraw/zinc/83/02/77/454830277.db2.gz MMGQJOROXDLJIE-UHFFFAOYSA-N 1 2 331.372 3.271 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000126437899 454894081 /nfs/dbraw/zinc/89/40/81/454894081.db2.gz LBVQHJWQPVIDGV-IAQYHMDHSA-N 1 2 348.790 3.168 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127068469 454935759 /nfs/dbraw/zinc/93/57/59/454935759.db2.gz XPYDEWODYZBJFE-CJNGLKHVSA-N 1 2 343.387 3.215 20 5 EGBDLO COC(=O)c1oc([C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000180489416 455181215 /nfs/dbraw/zinc/18/12/15/455181215.db2.gz HCFHMBMLIBQPLB-LBPRGKRZSA-N 1 2 332.356 3.476 20 5 EGBDLO COC(=O)c1oc([C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000180489416 455181217 /nfs/dbraw/zinc/18/12/17/455181217.db2.gz HCFHMBMLIBQPLB-LBPRGKRZSA-N 1 2 332.356 3.476 20 5 EGBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000245446358 455302795 /nfs/dbraw/zinc/30/27/95/455302795.db2.gz LCJGAJFEBMJIQV-OLZOCXBDSA-N 1 2 337.445 3.058 20 5 EGBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000245446358 455302798 /nfs/dbraw/zinc/30/27/98/455302798.db2.gz LCJGAJFEBMJIQV-OLZOCXBDSA-N 1 2 337.445 3.058 20 5 EGBDLO Cc1cnc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)s1 ZINC000175861081 455506735 /nfs/dbraw/zinc/50/67/35/455506735.db2.gz KREDMZFDTJYLRS-JTQLQIEISA-N 1 2 335.385 3.077 20 5 EGBDLO COc1cccc(NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000185166052 455514934 /nfs/dbraw/zinc/51/49/34/455514934.db2.gz RNHAHJSUMDBXIJ-UHFFFAOYSA-N 1 2 328.372 3.211 20 5 EGBDLO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000192456245 455621052 /nfs/dbraw/zinc/62/10/52/455621052.db2.gz RDWXMRSECDKITB-SNVBAGLBSA-N 1 2 328.344 3.044 20 5 EGBDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634509 455657290 /nfs/dbraw/zinc/65/72/90/455657290.db2.gz KOGUTAJHBKDCHF-HNNXBMFYSA-N 1 2 341.411 3.074 20 5 EGBDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192634509 455657294 /nfs/dbraw/zinc/65/72/94/455657294.db2.gz KOGUTAJHBKDCHF-HNNXBMFYSA-N 1 2 341.411 3.074 20 5 EGBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(CC)[nH]2)cc1[N+](=O)[O-] ZINC000271526432 455672719 /nfs/dbraw/zinc/67/27/19/455672719.db2.gz PBNYPMJLGFUETO-WDEREUQCSA-N 1 2 333.392 3.086 20 5 EGBDLO COC1(C)CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000271611097 455700195 /nfs/dbraw/zinc/70/01/95/455700195.db2.gz CIQFKEDOFLOGDE-UHFFFAOYSA-N 1 2 342.399 3.366 20 5 EGBDLO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000188359807 456050196 /nfs/dbraw/zinc/05/01/96/456050196.db2.gz NBTBECHIFKDMJI-UHFFFAOYSA-N 1 2 343.383 3.395 20 5 EGBDLO CCc1cc(NCC(C)(C)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301458676 456120934 /nfs/dbraw/zinc/12/09/34/456120934.db2.gz NKBDWPIQERAIIZ-UHFFFAOYSA-N 1 2 330.388 3.451 20 5 EGBDLO Cc1cc(N2CC[NH+](CCOC(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301486521 456128342 /nfs/dbraw/zinc/12/83/42/456128342.db2.gz XPVNLDCDPASRDH-UHFFFAOYSA-N 1 2 341.839 3.104 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271217399 456179354 /nfs/dbraw/zinc/17/93/54/456179354.db2.gz XICLUQLLQNTMKX-FPJCUDJDSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271217399 456179359 /nfs/dbraw/zinc/17/93/59/456179359.db2.gz XICLUQLLQNTMKX-FPJCUDJDSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@H]1C[NH+](C(C)(C)CNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301807488 456219126 /nfs/dbraw/zinc/21/91/26/456219126.db2.gz WQOTXXCIEDMHRE-QWRGUYRKSA-N 1 2 343.374 3.173 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000338395230 456792687 /nfs/dbraw/zinc/79/26/87/456792687.db2.gz IFVDWYFMTLGKAH-UHFFFAOYSA-N 1 2 331.719 3.014 20 5 EGBDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC000277413758 456817375 /nfs/dbraw/zinc/81/73/75/456817375.db2.gz LVSKLCLAJCVYDQ-MNOVXSKESA-N 1 2 333.392 3.086 20 5 EGBDLO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000341275171 456829413 /nfs/dbraw/zinc/82/94/13/456829413.db2.gz CNROWEZADIARBY-NSHDSACASA-N 1 2 349.337 3.187 20 5 EGBDLO C[C@@H](C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000339201333 456989323 /nfs/dbraw/zinc/98/93/23/456989323.db2.gz QYZLHSLEBHUXFK-GJZGRUSLSA-N 1 2 344.411 3.287 20 5 EGBDLO C[C@@H](C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000339201333 456989328 /nfs/dbraw/zinc/98/93/28/456989328.db2.gz QYZLHSLEBHUXFK-GJZGRUSLSA-N 1 2 344.411 3.287 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000339247160 457015698 /nfs/dbraw/zinc/01/56/98/457015698.db2.gz QSOZXNKJXWLKHC-GOSISDBHSA-N 1 2 342.395 3.294 20 5 EGBDLO COc1cc(C[NH2+]Cc2c(F)cc(F)cc2F)c([N+](=O)[O-])cc1O ZINC000339524444 457135251 /nfs/dbraw/zinc/13/52/51/457135251.db2.gz UXCAAKRBRUFDGE-UHFFFAOYSA-N 1 2 342.273 3.016 20 5 EGBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000347224492 457297870 /nfs/dbraw/zinc/29/78/70/457297870.db2.gz LBRBDABLKWMZOH-PXAZEXFGSA-N 1 2 337.383 3.449 20 5 EGBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000347224492 457297872 /nfs/dbraw/zinc/29/78/72/457297872.db2.gz LBRBDABLKWMZOH-PXAZEXFGSA-N 1 2 337.383 3.449 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000332194076 457325395 /nfs/dbraw/zinc/32/53/95/457325395.db2.gz YPKCDOSQZXLBJP-UKRRQHHQSA-N 1 2 349.456 3.202 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000332194076 457325398 /nfs/dbraw/zinc/32/53/98/457325398.db2.gz YPKCDOSQZXLBJP-UKRRQHHQSA-N 1 2 349.456 3.202 20 5 EGBDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000357164418 457354249 /nfs/dbraw/zinc/35/42/49/457354249.db2.gz GECPPBLLDVJAMV-JTQLQIEISA-N 1 2 346.362 3.324 20 5 EGBDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC2 ZINC000357164418 457354255 /nfs/dbraw/zinc/35/42/55/457354255.db2.gz GECPPBLLDVJAMV-JTQLQIEISA-N 1 2 346.362 3.324 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000332379796 457359446 /nfs/dbraw/zinc/35/94/46/457359446.db2.gz YOWLBANNSZBIHP-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000332379796 457359452 /nfs/dbraw/zinc/35/94/52/457359452.db2.gz YOWLBANNSZBIHP-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000332379796 457359460 /nfs/dbraw/zinc/35/94/60/457359460.db2.gz YOWLBANNSZBIHP-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000332379796 457359464 /nfs/dbraw/zinc/35/94/64/457359464.db2.gz YOWLBANNSZBIHP-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000332379796 457359467 /nfs/dbraw/zinc/35/94/67/457359467.db2.gz YOWLBANNSZBIHP-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000332379796 457359471 /nfs/dbraw/zinc/35/94/71/457359471.db2.gz YOWLBANNSZBIHP-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000373998733 457433747 /nfs/dbraw/zinc/43/37/47/457433747.db2.gz YGXRUKZEVFXJEV-HVHJFMEUSA-N 1 2 326.356 3.085 20 5 EGBDLO Cn1nccc1C1=CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000352566425 457470917 /nfs/dbraw/zinc/47/09/17/457470917.db2.gz ZKFXZMUJYZGPHO-UHFFFAOYSA-N 1 2 332.791 3.271 20 5 EGBDLO Cn1nccc1C1=CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000352566425 457470925 /nfs/dbraw/zinc/47/09/25/457470925.db2.gz ZKFXZMUJYZGPHO-UHFFFAOYSA-N 1 2 332.791 3.271 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1F ZINC000347554214 457504765 /nfs/dbraw/zinc/50/47/65/457504765.db2.gz CRIRANBSXBJPQD-SNVBAGLBSA-N 1 2 328.303 3.124 20 5 EGBDLO CCCc1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000370060801 457523598 /nfs/dbraw/zinc/52/35/98/457523598.db2.gz QRMVQHPMIPYUBT-UHFFFAOYSA-N 1 2 335.433 3.037 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000352700571 457542054 /nfs/dbraw/zinc/54/20/54/457542054.db2.gz RYAFTOORKQPMAC-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c(OC)c1 ZINC000352700571 457542064 /nfs/dbraw/zinc/54/20/64/457542064.db2.gz RYAFTOORKQPMAC-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1-c1ccccc1 ZINC000358017630 457740689 /nfs/dbraw/zinc/74/06/89/457740689.db2.gz HZBHGYJBGRENAK-CYBMUJFWSA-N 1 2 337.383 3.335 20 5 EGBDLO CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412025534 458049458 /nfs/dbraw/zinc/04/94/58/458049458.db2.gz JCIGAVPRCLKNRH-ZDUSSCGKSA-N 1 2 331.372 3.345 20 5 EGBDLO CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412025534 458049474 /nfs/dbraw/zinc/04/94/74/458049474.db2.gz JCIGAVPRCLKNRH-ZDUSSCGKSA-N 1 2 331.372 3.345 20 5 EGBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2c2cccnc12 ZINC000428353670 458126897 /nfs/dbraw/zinc/12/68/97/458126897.db2.gz WAJWTXFXYMHQBK-HNNXBMFYSA-N 1 2 342.402 3.329 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000375944695 458134322 /nfs/dbraw/zinc/13/43/22/458134322.db2.gz AUGYPGVGBLFRIE-NSHDSACASA-N 1 2 348.790 3.002 20 5 EGBDLO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000459099188 458266306 /nfs/dbraw/zinc/26/63/06/458266306.db2.gz FXLGFOXXXRUDDV-SMDDNHRTSA-N 1 2 343.387 3.032 20 5 EGBDLO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412703784 458278520 /nfs/dbraw/zinc/27/85/20/458278520.db2.gz YJHQDHOXQBVFTO-CYBMUJFWSA-N 1 2 345.424 3.003 20 5 EGBDLO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412703784 458278524 /nfs/dbraw/zinc/27/85/24/458278524.db2.gz YJHQDHOXQBVFTO-CYBMUJFWSA-N 1 2 345.424 3.003 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362592022 458288660 /nfs/dbraw/zinc/28/86/60/458288660.db2.gz MMFMCVJJPSQZKJ-YOEHRIQHSA-N 1 2 334.416 3.092 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362592022 458288663 /nfs/dbraw/zinc/28/86/63/458288663.db2.gz MMFMCVJJPSQZKJ-YOEHRIQHSA-N 1 2 334.416 3.092 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494249473 458647697 /nfs/dbraw/zinc/64/76/97/458647697.db2.gz AJDUEUZVSLTWND-UHFFFAOYSA-N 1 2 338.766 3.382 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494249473 458647699 /nfs/dbraw/zinc/64/76/99/458647699.db2.gz AJDUEUZVSLTWND-UHFFFAOYSA-N 1 2 338.766 3.382 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000456371021 458651114 /nfs/dbraw/zinc/65/11/14/458651114.db2.gz DQTJKWYCHZUEFQ-NWDGAFQWSA-N 1 2 348.428 3.169 20 5 EGBDLO CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456404155 458665798 /nfs/dbraw/zinc/66/57/98/458665798.db2.gz FXRWRTCZGYPKCZ-BXUZGUMPSA-N 1 2 328.372 3.351 20 5 EGBDLO CC(C)c1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456404165 458666209 /nfs/dbraw/zinc/66/62/09/458666209.db2.gz FXRWRTCZGYPKCZ-SMDDNHRTSA-N 1 2 328.372 3.351 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456412161 458668802 /nfs/dbraw/zinc/66/88/02/458668802.db2.gz HDDSMRJOTLBAAC-JGGQBBKZSA-N 1 2 342.399 3.182 20 5 EGBDLO C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456412635 458670455 /nfs/dbraw/zinc/67/04/55/458670455.db2.gz HLNMGYMXKOEJAM-QMTHXVAHSA-N 1 2 346.362 3.030 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000471188098 458682912 /nfs/dbraw/zinc/68/29/12/458682912.db2.gz UJVYZGKXILGCCH-HNNXBMFYSA-N 1 2 325.368 3.289 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000471188098 458682916 /nfs/dbraw/zinc/68/29/16/458682916.db2.gz UJVYZGKXILGCCH-HNNXBMFYSA-N 1 2 325.368 3.289 20 5 EGBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000547974877 458817475 /nfs/dbraw/zinc/81/74/75/458817475.db2.gz ZPNLEOIFDHUEHU-GOSISDBHSA-N 1 2 342.395 3.201 20 5 EGBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000547974877 458817478 /nfs/dbraw/zinc/81/74/78/458817478.db2.gz ZPNLEOIFDHUEHU-GOSISDBHSA-N 1 2 342.395 3.201 20 5 EGBDLO O=C(N[C@H](C1CC1)C1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457215780 458900366 /nfs/dbraw/zinc/90/03/66/458900366.db2.gz DUWXYTCJNSDCIX-KRWDZBQOSA-N 1 2 340.383 3.089 20 5 EGBDLO Cc1cc(N2CCOC(C)(C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000477166474 459033669 /nfs/dbraw/zinc/03/36/69/459033669.db2.gz NJAYPOGFALCASE-ZDUSSCGKSA-N 1 2 342.399 3.364 20 5 EGBDLO Cc1cc(N)nc(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)[nH+]1 ZINC000558830008 459214934 /nfs/dbraw/zinc/21/49/34/459214934.db2.gz RNKXXSVPJVAIRF-UHFFFAOYSA-N 1 2 344.318 3.417 20 5 EGBDLO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000595292385 459269623 /nfs/dbraw/zinc/26/96/23/459269623.db2.gz QCBCUSDWVDANTJ-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000595292385 459269629 /nfs/dbraw/zinc/26/96/29/459269629.db2.gz QCBCUSDWVDANTJ-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO Cc1noc(C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595324469 459276590 /nfs/dbraw/zinc/27/65/90/459276590.db2.gz ABIWKLRGLXDFCP-WFASDCNBSA-N 1 2 331.372 3.162 20 5 EGBDLO Cc1noc(C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595324469 459276596 /nfs/dbraw/zinc/27/65/96/459276596.db2.gz ABIWKLRGLXDFCP-WFASDCNBSA-N 1 2 331.372 3.162 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593060131 459760808 /nfs/dbraw/zinc/76/08/08/459760808.db2.gz YMDLCZOCXNCPKQ-STQMWFEESA-N 1 2 326.368 3.132 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593060131 459760813 /nfs/dbraw/zinc/76/08/13/459760813.db2.gz YMDLCZOCXNCPKQ-STQMWFEESA-N 1 2 326.368 3.132 20 5 EGBDLO COc1cc(C[NH+]2CC(C)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000598676176 459987901 /nfs/dbraw/zinc/98/79/01/459987901.db2.gz DAFUYNHCHUPCQA-UHFFFAOYSA-N 1 2 342.395 3.386 20 5 EGBDLO CC[C@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000597664671 460023143 /nfs/dbraw/zinc/02/31/43/460023143.db2.gz BFCFXBJHXJXVCH-LSDHHAIUSA-N 1 2 349.431 3.040 20 5 EGBDLO CC[C@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[N@H+]1CCO[C@@H](CC)C1 ZINC000597664671 460023149 /nfs/dbraw/zinc/02/31/49/460023149.db2.gz BFCFXBJHXJXVCH-LSDHHAIUSA-N 1 2 349.431 3.040 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CC(F)F)c2ccncc21 ZINC000599132920 460170730 /nfs/dbraw/zinc/17/07/30/460170730.db2.gz LEEXDWXHWYVCRC-NSHDSACASA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CC(F)F)c2ccncc21 ZINC000599132920 460170736 /nfs/dbraw/zinc/17/07/36/460170736.db2.gz LEEXDWXHWYVCRC-NSHDSACASA-N 1 2 336.342 3.284 20 5 EGBDLO C[N@H+](Cc1cn[nH]c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000611271926 460324545 /nfs/dbraw/zinc/32/45/45/460324545.db2.gz OUSZUTWKEXVPHB-UHFFFAOYSA-N 1 2 329.385 3.073 20 5 EGBDLO C[N@@H+](Cc1cn[nH]c1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000611271926 460324550 /nfs/dbraw/zinc/32/45/50/460324550.db2.gz OUSZUTWKEXVPHB-UHFFFAOYSA-N 1 2 329.385 3.073 20 5 EGBDLO CC[N@H+](CCC(F)(F)F)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000604525280 460440963 /nfs/dbraw/zinc/44/09/63/460440963.db2.gz GGGXCWUHQKJUGF-UHFFFAOYSA-N 1 2 344.293 3.419 20 5 EGBDLO CC[N@@H+](CCC(F)(F)F)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000604525280 460440967 /nfs/dbraw/zinc/44/09/67/460440967.db2.gz GGGXCWUHQKJUGF-UHFFFAOYSA-N 1 2 344.293 3.419 20 5 EGBDLO Cc1cc(NCc2cc[nH+]c(N3CCSCC3)c2)ccc1[N+](=O)[O-] ZINC000601241033 460762091 /nfs/dbraw/zinc/76/20/91/460762091.db2.gz VJMMHWLVLRHODG-UHFFFAOYSA-N 1 2 344.440 3.464 20 5 EGBDLO Cc1cccc(NCc2cc[nH+]c(N3CCSCC3)c2)c1[N+](=O)[O-] ZINC000601240722 460762565 /nfs/dbraw/zinc/76/25/65/460762565.db2.gz OZKPWVOQABIRMD-UHFFFAOYSA-N 1 2 344.440 3.464 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCOc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000617196171 460772768 /nfs/dbraw/zinc/77/27/68/460772768.db2.gz ZONNHQPDMMGFGQ-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO CCOc1cc(C[N@H+]2CCOc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000617196171 460772778 /nfs/dbraw/zinc/77/27/78/460772778.db2.gz ZONNHQPDMMGFGQ-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187458992 529336470 /nfs/dbraw/zinc/33/64/70/529336470.db2.gz ROBMVJYYAJSHAC-JSGCOSHPSA-N 1 2 328.372 3.041 20 5 EGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+](CCCCO)C1CC1 ZINC000769403316 1303108538 /nfs/dbraw/zinc/10/85/38/1303108538.db2.gz BWJMKGRQONVDEU-UHFFFAOYSA-N 1 2 343.221 3.094 20 5 EGBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+](CCCCO)C1CC1 ZINC000769403316 1303108542 /nfs/dbraw/zinc/10/85/42/1303108542.db2.gz BWJMKGRQONVDEU-UHFFFAOYSA-N 1 2 343.221 3.094 20 5 EGBDLO Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc[nH+]1 ZINC000083955167 1292693347 /nfs/dbraw/zinc/69/33/47/1292693347.db2.gz KYDGGXABULXJNA-UHFFFAOYSA-N 1 2 341.776 3.061 20 5 EGBDLO Cc1nn(C[N@H+]2CC=C(c3cccc(C)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000092296306 1292861269 /nfs/dbraw/zinc/86/12/69/1292861269.db2.gz RUXNEBRYWRNAOK-UHFFFAOYSA-N 1 2 326.400 3.463 20 5 EGBDLO Cc1nn(C[N@@H+]2CC=C(c3cccc(C)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000092296306 1292861284 /nfs/dbraw/zinc/86/12/84/1292861284.db2.gz RUXNEBRYWRNAOK-UHFFFAOYSA-N 1 2 326.400 3.463 20 5 EGBDLO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153895736 1294033123 /nfs/dbraw/zinc/03/31/23/1294033123.db2.gz ARFKMQYLSXIZRR-QGZVFWFLSA-N 1 2 336.338 3.429 20 5 EGBDLO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153895736 1294033127 /nfs/dbraw/zinc/03/31/27/1294033127.db2.gz ARFKMQYLSXIZRR-QGZVFWFLSA-N 1 2 336.338 3.429 20 5 EGBDLO CCOCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1Br ZINC000233744660 1296178200 /nfs/dbraw/zinc/17/82/00/1296178200.db2.gz QEALBXCITHTTIO-UHFFFAOYSA-N 1 2 331.210 3.216 20 5 EGBDLO CCOCC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1Br ZINC000233744660 1296178205 /nfs/dbraw/zinc/17/82/05/1296178205.db2.gz QEALBXCITHTTIO-UHFFFAOYSA-N 1 2 331.210 3.216 20 5 EGBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@@H]1CCCO1 ZINC000233465985 1296178380 /nfs/dbraw/zinc/17/83/80/1296178380.db2.gz NHKHBSZIBLBJLD-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@@H]1CCCO1 ZINC000233465985 1296178385 /nfs/dbraw/zinc/17/83/85/1296178385.db2.gz NHKHBSZIBLBJLD-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000312178676 1297115206 /nfs/dbraw/zinc/11/52/06/1297115206.db2.gz MYEIYMSNBFZJEQ-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)CCCO1 ZINC000312178676 1297115211 /nfs/dbraw/zinc/11/52/11/1297115211.db2.gz MYEIYMSNBFZJEQ-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4ccccc4F)CC3)nc2c1 ZINC000444690984 1297860556 /nfs/dbraw/zinc/86/05/56/1297860556.db2.gz WLEZJJLKFPDOAP-UHFFFAOYSA-N 1 2 326.331 3.389 20 5 EGBDLO Cc1ccc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(N(C)C)[nH+]1 ZINC000750393236 1299387442 /nfs/dbraw/zinc/38/74/42/1299387442.db2.gz YGIYTPQDWOTXJL-GFCCVEGCSA-N 1 2 343.387 3.247 20 5 EGBDLO CC(C)C[C@@H]1CCCC[N@@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000757616352 1300694226 /nfs/dbraw/zinc/69/42/26/1300694226.db2.gz XASGCTDRLVKPQB-ZDUSSCGKSA-N 1 2 345.399 3.049 20 5 EGBDLO CC(C)C[C@@H]1CCCC[N@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000757616352 1300694231 /nfs/dbraw/zinc/69/42/31/1300694231.db2.gz XASGCTDRLVKPQB-ZDUSSCGKSA-N 1 2 345.399 3.049 20 5 EGBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000763218802 1301850174 /nfs/dbraw/zinc/85/01/74/1301850174.db2.gz MJFZRVHXTAGKIX-UHFFFAOYSA-N 1 2 344.415 3.327 20 5 EGBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000763218802 1301850184 /nfs/dbraw/zinc/85/01/84/1301850184.db2.gz MJFZRVHXTAGKIX-UHFFFAOYSA-N 1 2 344.415 3.327 20 5 EGBDLO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767765833 1302761335 /nfs/dbraw/zinc/76/13/35/1302761335.db2.gz PZEMWOXOAHAQSR-CMPLNLGQSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@H](C)[C@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767765833 1302761340 /nfs/dbraw/zinc/76/13/40/1302761340.db2.gz PZEMWOXOAHAQSR-CMPLNLGQSA-N 1 2 345.241 3.412 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000886083398 1303349959 /nfs/dbraw/zinc/34/99/59/1303349959.db2.gz JGXXBUPDYOFMRX-CYBMUJFWSA-N 1 2 333.775 3.297 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000886083398 1303349963 /nfs/dbraw/zinc/34/99/63/1303349963.db2.gz JGXXBUPDYOFMRX-CYBMUJFWSA-N 1 2 333.775 3.297 20 5 EGBDLO CC[N@@H+](Cc1ccccn1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639768 1303838790 /nfs/dbraw/zinc/83/87/90/1303838790.db2.gz YNQZKNSUPTUARM-UHFFFAOYSA-N 1 2 345.790 3.473 20 5 EGBDLO CC[N@H+](Cc1ccccn1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639768 1303838797 /nfs/dbraw/zinc/83/87/97/1303838797.db2.gz YNQZKNSUPTUARM-UHFFFAOYSA-N 1 2 345.790 3.473 20 5 EGBDLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000784012592 1305175478 /nfs/dbraw/zinc/17/54/78/1305175478.db2.gz SNBJVAIMOQITLH-LRDDRELGSA-N 1 2 330.388 3.149 20 5 EGBDLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000784012592 1305175482 /nfs/dbraw/zinc/17/54/82/1305175482.db2.gz SNBJVAIMOQITLH-LRDDRELGSA-N 1 2 330.388 3.149 20 5 EGBDLO Cc1nn(C[NH+]2CC(C)(C)OC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000785515543 1305371223 /nfs/dbraw/zinc/37/12/23/1305371223.db2.gz STKLYROVWIWHOV-UHFFFAOYSA-N 1 2 332.404 3.100 20 5 EGBDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000791265142 1308942409 /nfs/dbraw/zinc/94/24/09/1308942409.db2.gz AFCYJATZBRBIKX-UHFFFAOYSA-N 1 2 327.296 3.039 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CCC(Nc3cccc[nH+]3)CC2)c(Cl)c1 ZINC000895347903 1309292153 /nfs/dbraw/zinc/29/21/53/1309292153.db2.gz VBXRXZIJXCGUBR-UHFFFAOYSA-N 1 2 333.779 3.119 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)Cc2ccccc21 ZINC000794617322 1309556294 /nfs/dbraw/zinc/55/62/94/1309556294.db2.gz VJQXBXSQXAMDPG-GFCCVEGCSA-N 1 2 339.351 3.080 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)Cc2ccccc21 ZINC000794617322 1309556304 /nfs/dbraw/zinc/55/63/04/1309556304.db2.gz VJQXBXSQXAMDPG-GFCCVEGCSA-N 1 2 339.351 3.080 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2F)c1C ZINC000824663315 1320275481 /nfs/dbraw/zinc/27/54/81/1320275481.db2.gz JQCKGSHAUSGLEN-UHFFFAOYSA-N 1 2 347.346 3.027 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)c2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1C ZINC000804392941 1317228056 /nfs/dbraw/zinc/22/80/56/1317228056.db2.gz VYVSKEBHKONDAF-UHFFFAOYSA-N 1 2 346.343 3.160 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+]1CCc2sccc2C1 ZINC000807935422 1317602025 /nfs/dbraw/zinc/60/20/25/1317602025.db2.gz NKDHTGZKFOAHMX-UHFFFAOYSA-N 1 2 345.424 3.329 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+]1CCc2sccc2C1 ZINC000807935422 1317602031 /nfs/dbraw/zinc/60/20/31/1317602031.db2.gz NKDHTGZKFOAHMX-UHFFFAOYSA-N 1 2 345.424 3.329 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nc2c(s1)CCC2 ZINC000903191028 1317669643 /nfs/dbraw/zinc/66/96/43/1317669643.db2.gz LGPCGYIPFLYJPQ-JTQLQIEISA-N 1 2 333.413 3.399 20 5 EGBDLO O=[N+]([O-])c1nn(C[N@@H+]2CC[C@@H](C3CCCC3)C2)cc1Br ZINC000817368418 1319343167 /nfs/dbraw/zinc/34/31/67/1319343167.db2.gz IDIJSNAZJZFJRM-LLVKDONJSA-N 1 2 343.225 3.023 20 5 EGBDLO O=[N+]([O-])c1nn(C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1Br ZINC000817368418 1319343178 /nfs/dbraw/zinc/34/31/78/1319343178.db2.gz IDIJSNAZJZFJRM-LLVKDONJSA-N 1 2 343.225 3.023 20 5 EGBDLO COc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1C ZINC000820677024 1319933472 /nfs/dbraw/zinc/93/34/72/1319933472.db2.gz SHNIYAMZASAPNJ-LRDDRELGSA-N 1 2 330.388 3.196 20 5 EGBDLO CC(C)(C)SCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000823037412 1320148294 /nfs/dbraw/zinc/14/82/94/1320148294.db2.gz BEHQHVMFAKQGAV-UHFFFAOYSA-N 1 2 348.428 3.042 20 5 EGBDLO CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)cc2)CC1 ZINC000842489018 1321394917 /nfs/dbraw/zinc/39/49/17/1321394917.db2.gz WZDULVZEIWGNJA-HZPDHXFCSA-N 1 2 342.399 3.101 20 5 EGBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000862433476 1329486778 /nfs/dbraw/zinc/48/67/78/1329486778.db2.gz WLZNEBYSCSHUTB-UHFFFAOYSA-N 1 2 336.779 3.077 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2[nH]1 ZINC001116344865 1370889095 /nfs/dbraw/zinc/88/90/95/1370889095.db2.gz UOMRDUKIERMHMO-UHFFFAOYSA-N 1 2 338.367 3.147 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2[nH]1 ZINC001116344865 1370889100 /nfs/dbraw/zinc/88/91/00/1370889100.db2.gz UOMRDUKIERMHMO-UHFFFAOYSA-N 1 2 338.367 3.147 20 5 EGBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC001225942608 1375177900 /nfs/dbraw/zinc/17/79/00/1375177900.db2.gz RMQPJDLMPWTQGF-INIZCTEOSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC001225942608 1375177904 /nfs/dbraw/zinc/17/79/04/1375177904.db2.gz RMQPJDLMPWTQGF-INIZCTEOSA-N 1 2 346.358 3.014 20 5 EGBDLO Cc1cc(Cl)c([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)n1 ZINC001158146351 1381141986 /nfs/dbraw/zinc/14/19/86/1381141986.db2.gz YTWFXBMMDQFUHJ-UHFFFAOYSA-N 1 2 331.763 3.254 20 5 EGBDLO COc1c(O)ccc(C[N@H+](C)Cc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC001333718740 1390382538 /nfs/dbraw/zinc/38/25/38/1390382538.db2.gz LANIECQZFVADSR-UHFFFAOYSA-N 1 2 338.310 3.219 20 5 EGBDLO COc1c(O)ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC001333718740 1390382539 /nfs/dbraw/zinc/38/25/39/1390382539.db2.gz LANIECQZFVADSR-UHFFFAOYSA-N 1 2 338.310 3.219 20 5 EGBDLO Cc1cc(Nc2ccc([NH+]3CCC(O)CC3)cc2)ncc1[N+](=O)[O-] ZINC000173913590 231069554 /nfs/dbraw/zinc/06/95/54/231069554.db2.gz GRZCHOGCRLJPDP-UHFFFAOYSA-N 1 2 328.372 3.003 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000080026187 217272466 /nfs/dbraw/zinc/27/24/66/217272466.db2.gz IOKQQUUCJZYBAS-INIZCTEOSA-N 1 2 328.372 3.007 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000080026187 217272468 /nfs/dbraw/zinc/27/24/68/217272468.db2.gz IOKQQUUCJZYBAS-INIZCTEOSA-N 1 2 328.372 3.007 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000094072528 218264038 /nfs/dbraw/zinc/26/40/38/218264038.db2.gz XBGJWDOUCLOXCQ-UHFFFAOYSA-N 1 2 342.399 3.194 20 5 EGBDLO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)[nH+]c2C)cc1OC ZINC000119212019 221267006 /nfs/dbraw/zinc/26/70/06/221267006.db2.gz WSUPFWYPTDRQKY-UHFFFAOYSA-N 1 2 345.355 3.266 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnnn1C1CCCCC1 ZINC000189782512 533506072 /nfs/dbraw/zinc/50/60/72/533506072.db2.gz GVWKPCIASDAMIR-QWHCGFSZSA-N 1 2 344.419 3.498 20 5 EGBDLO C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccncc1F ZINC000338370332 141109573 /nfs/dbraw/zinc/10/95/73/141109573.db2.gz NJFOLUCIGYUYPJ-JTQLQIEISA-N 1 2 343.318 3.030 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000173367799 144040068 /nfs/dbraw/zinc/04/00/68/144040068.db2.gz HOHIDMAQSHPYMU-NWDGAFQWSA-N 1 2 339.355 3.452 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178221336 144066856 /nfs/dbraw/zinc/06/68/56/144066856.db2.gz AZEYSBGTCNYMHQ-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO Cn1c(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000351595339 144285725 /nfs/dbraw/zinc/28/57/25/144285725.db2.gz POSAQGHKTDKNJW-UHFFFAOYSA-N 1 2 338.323 3.373 20 5 EGBDLO C[C@@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)S1=O ZINC000361663665 144346787 /nfs/dbraw/zinc/34/67/87/144346787.db2.gz VNTQEFJEHOAKCE-CHWSQXEVSA-N 1 2 348.424 3.196 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341244346 155217904 /nfs/dbraw/zinc/21/79/04/155217904.db2.gz UWDKAHCNARVCDO-UHFFFAOYSA-N 1 2 348.428 3.185 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121083521 152324554 /nfs/dbraw/zinc/32/45/54/152324554.db2.gz BIQRIWJBWYELDN-CXAGYDPISA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121083521 152324555 /nfs/dbraw/zinc/32/45/55/152324555.db2.gz BIQRIWJBWYELDN-CXAGYDPISA-N 1 2 348.424 3.497 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000347011565 156246970 /nfs/dbraw/zinc/24/69/70/156246970.db2.gz RHAKLDRGXHXONL-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000347011565 156246975 /nfs/dbraw/zinc/24/69/75/156246975.db2.gz RHAKLDRGXHXONL-QGZVFWFLSA-N 1 2 340.383 3.074 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000126147074 162295384 /nfs/dbraw/zinc/29/53/84/162295384.db2.gz VWOLPULDCVNLNP-SWLSCSKDSA-N 1 2 329.404 3.495 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000126130058 162295804 /nfs/dbraw/zinc/29/58/04/162295804.db2.gz NYZDKHHVGOAVOE-XHDPSFHLSA-N 1 2 348.790 3.168 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)cs1 ZINC000337204018 163161649 /nfs/dbraw/zinc/16/16/49/163161649.db2.gz HHMGUGQBQVJHFE-LLVKDONJSA-N 1 2 330.768 3.272 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000338640319 163302184 /nfs/dbraw/zinc/30/21/84/163302184.db2.gz USQVUMCXVCXVKN-UHFFFAOYSA-N 1 2 326.356 3.272 20 5 EGBDLO Cc1cc(N[C@H](C)C[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000338720660 163330736 /nfs/dbraw/zinc/33/07/36/163330736.db2.gz MJSAPTDEUGHYLO-MLGOLLRUSA-N 1 2 342.399 3.152 20 5 EGBDLO CCN(CC)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])c[nH+]1 ZINC000339027106 163434267 /nfs/dbraw/zinc/43/42/67/163434267.db2.gz IHLILMFAPPWTQT-UHFFFAOYSA-N 1 2 332.389 3.289 20 5 EGBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(COCc2[nH]cc[nH+]2)cc1OC ZINC000358924260 167006930 /nfs/dbraw/zinc/00/69/30/167006930.db2.gz LERXQWMTRAPRPR-GFCCVEGCSA-N 1 2 349.387 3.468 20 5 EGBDLO CCCCc1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000365817708 168047317 /nfs/dbraw/zinc/04/73/17/168047317.db2.gz CHFHKOQWEFQVAF-UHFFFAOYSA-N 1 2 349.460 3.428 20 5 EGBDLO COc1cc(N(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000176571572 265188856 /nfs/dbraw/zinc/18/88/56/265188856.db2.gz GNRPDFGVYCWXSH-UHFFFAOYSA-N 1 2 331.372 3.260 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)n1 ZINC000177136224 265232768 /nfs/dbraw/zinc/23/27/68/265232768.db2.gz SPLVAWUJUCHTIL-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)n1 ZINC000177136224 265232770 /nfs/dbraw/zinc/23/27/70/265232770.db2.gz SPLVAWUJUCHTIL-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO Cc1cc(C)c(NC(=O)CCOc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000193785215 266061861 /nfs/dbraw/zinc/06/18/61/266061861.db2.gz GGQVXNVLCXUEFQ-UHFFFAOYSA-N 1 2 329.356 3.323 20 5 EGBDLO Cc1cc(N[C@@H](C)[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270107782 266420090 /nfs/dbraw/zinc/42/00/90/266420090.db2.gz CWRZCJKFNJWCSR-JSGCOSHPSA-N 1 2 328.372 3.197 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nc(CCC3CC3)no2)ccc1-n1cc[nH+]c1 ZINC000273965192 267153497 /nfs/dbraw/zinc/15/34/97/267153497.db2.gz JXTFTZQUCNOPQL-UHFFFAOYSA-N 1 2 325.328 3.173 20 5 EGBDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599219 275137869 /nfs/dbraw/zinc/13/78/69/275137869.db2.gz OWJXOBGFJVSQIG-OAHLLOKOSA-N 1 2 345.443 3.422 20 5 EGBDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599219 275137871 /nfs/dbraw/zinc/13/78/71/275137871.db2.gz OWJXOBGFJVSQIG-OAHLLOKOSA-N 1 2 345.443 3.422 20 5 EGBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000106240516 275167951 /nfs/dbraw/zinc/16/79/51/275167951.db2.gz ZZWJFJPIBIUZTM-MNOVXSKESA-N 1 2 334.401 3.038 20 5 EGBDLO CC1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000112682195 275813052 /nfs/dbraw/zinc/81/30/52/275813052.db2.gz QFJBTKOEQKLMGP-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO COc1cc[nH+]cc1COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000288418386 276211840 /nfs/dbraw/zinc/21/18/40/276211840.db2.gz BLBVWIRXQSXFBI-NSHDSACASA-N 1 2 348.380 3.222 20 5 EGBDLO CCC(CC)N(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000288853702 276260561 /nfs/dbraw/zinc/26/05/61/276260561.db2.gz DMEKATFQECNKTA-UHFFFAOYSA-N 1 2 330.388 3.431 20 5 EGBDLO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000352948443 276294428 /nfs/dbraw/zinc/29/44/28/276294428.db2.gz SZVJXGHJRYXLBS-KRWDZBQOSA-N 1 2 340.379 3.257 20 5 EGBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000352948443 276294430 /nfs/dbraw/zinc/29/44/30/276294430.db2.gz SZVJXGHJRYXLBS-KRWDZBQOSA-N 1 2 340.379 3.257 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088329266 277939635 /nfs/dbraw/zinc/93/96/35/277939635.db2.gz AINZCRSNXTZKPH-ZDUSSCGKSA-N 1 2 345.359 3.086 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC2(CCC2)C1 ZINC000123499960 289381385 /nfs/dbraw/zinc/38/13/85/289381385.db2.gz CHSNXUPWDJMNQQ-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC2(CCC2)C1 ZINC000123499960 289381387 /nfs/dbraw/zinc/38/13/87/289381387.db2.gz CHSNXUPWDJMNQQ-LLVKDONJSA-N 1 2 337.807 3.451 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000414313012 309072331 /nfs/dbraw/zinc/07/23/31/309072331.db2.gz OKWUSNGDFHTITL-BZUAXINKSA-N 1 2 332.379 3.288 20 5 EGBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(C)[nH+]1 ZINC000297776672 308562695 /nfs/dbraw/zinc/56/26/95/308562695.db2.gz QDHTWURCAPGHHX-UHFFFAOYSA-N 1 2 332.335 3.064 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccncc21 ZINC000301616980 308707498 /nfs/dbraw/zinc/70/74/98/308707498.db2.gz AJYZKVRQWMUNHF-AWEZNQCLSA-N 1 2 336.351 3.196 20 5 EGBDLO Cc1cc(N[C@@H]2C[C@H]3OCCC[C@H]23)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302573499 308740085 /nfs/dbraw/zinc/74/00/85/308740085.db2.gz RAXRPKZLZKJQCX-BZUAXINKSA-N 1 2 340.383 3.340 20 5 EGBDLO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000413144698 309018127 /nfs/dbraw/zinc/01/81/27/309018127.db2.gz QORKSGCNQFGITN-CYBMUJFWSA-N 1 2 340.305 3.122 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000413465958 309033229 /nfs/dbraw/zinc/03/32/29/309033229.db2.gz WPBCRSWKUFRSTK-OWCLPIDISA-N 1 2 331.416 3.028 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c(Cl)c1 ZINC000440623246 309853044 /nfs/dbraw/zinc/85/30/44/309853044.db2.gz JNYIKYZQXPGWJW-UHFFFAOYSA-N 1 2 334.685 3.280 20 5 EGBDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444684876 309925706 /nfs/dbraw/zinc/92/57/06/309925706.db2.gz LYTORRUFNFOSIH-SNVBAGLBSA-N 1 2 344.346 3.470 20 5 EGBDLO Cc1cnc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)s1 ZINC000444686566 309925726 /nfs/dbraw/zinc/92/57/26/309925726.db2.gz DJZFTURPEYXJOD-HNNXBMFYSA-N 1 2 343.412 3.477 20 5 EGBDLO O=C(NCCC1=CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448590019 310007661 /nfs/dbraw/zinc/00/76/61/310007661.db2.gz OWBMAEUILOAJBX-UHFFFAOYSA-N 1 2 340.383 3.401 20 5 EGBDLO CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000448941692 310025109 /nfs/dbraw/zinc/02/51/09/310025109.db2.gz GARHJZATUWMFCM-UHFFFAOYSA-N 1 2 328.372 3.091 20 5 EGBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(C)C ZINC000450601576 310132343 /nfs/dbraw/zinc/13/23/43/310132343.db2.gz BKMFKXFEGZFHGM-ZDUSSCGKSA-N 1 2 342.399 3.289 20 5 EGBDLO C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450837030 310145143 /nfs/dbraw/zinc/14/51/43/310145143.db2.gz ZXKGJSLGSRFLCS-IONNQARKSA-N 1 2 327.266 3.323 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC(C)(C)C1 ZINC000458189584 310490471 /nfs/dbraw/zinc/49/04/71/310490471.db2.gz JHVYDHUPDYUUIE-UHFFFAOYSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461770994 310592529 /nfs/dbraw/zinc/59/25/29/310592529.db2.gz CEBQENXVVMYCQT-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCCCCC1 ZINC000490827320 311154269 /nfs/dbraw/zinc/15/42/69/311154269.db2.gz MZXTYFCDUXHEDE-UHFFFAOYSA-N 1 2 345.443 3.398 20 5 EGBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCCCCC1 ZINC000490827320 311154271 /nfs/dbraw/zinc/15/42/71/311154271.db2.gz MZXTYFCDUXHEDE-UHFFFAOYSA-N 1 2 345.443 3.398 20 5 EGBDLO Cc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491150557 311165872 /nfs/dbraw/zinc/16/58/72/311165872.db2.gz VROLERWYDOINRE-UHFFFAOYSA-N 1 2 329.375 3.365 20 5 EGBDLO CCN1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000505326252 312019816 /nfs/dbraw/zinc/01/98/16/312019816.db2.gz MKHDTXTYDRCOIY-UHFFFAOYSA-N 1 2 345.399 3.001 20 5 EGBDLO Cc1ccccc1N1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505603147 312027659 /nfs/dbraw/zinc/02/76/59/312027659.db2.gz BSXSIBKRAHIXAJ-UHFFFAOYSA-N 1 2 329.375 3.365 20 5 EGBDLO CCc1cc(NCCC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000525195189 312704110 /nfs/dbraw/zinc/70/41/10/312704110.db2.gz HEWXQPKNNYANGQ-UHFFFAOYSA-N 1 2 340.305 3.400 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCNc2cc(C(F)(F)F)cc[nH+]2)cc1 ZINC000531169278 313635795 /nfs/dbraw/zinc/63/57/95/313635795.db2.gz HVGIDNCTHFHZCS-UHFFFAOYSA-N 1 2 327.262 3.500 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000544780448 314717082 /nfs/dbraw/zinc/71/70/82/314717082.db2.gz PVEFOUUOEBJXES-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO Cc1ccnc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000549607619 315098763 /nfs/dbraw/zinc/09/87/63/315098763.db2.gz DVAYVFZBLXJBGN-UHFFFAOYSA-N 1 2 335.367 3.098 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000015298069 453566626 /nfs/dbraw/zinc/56/66/26/453566626.db2.gz KRABLCQXBHRRQJ-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000015298069 453566628 /nfs/dbraw/zinc/56/66/28/453566628.db2.gz KRABLCQXBHRRQJ-UHFFFAOYSA-N 1 2 346.383 3.253 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(F)cc1F ZINC000024953863 453752291 /nfs/dbraw/zinc/75/22/91/453752291.db2.gz JODRXIJVLITNJR-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000024953863 453752295 /nfs/dbraw/zinc/75/22/95/453752295.db2.gz JODRXIJVLITNJR-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1F ZINC000184239454 455364986 /nfs/dbraw/zinc/36/49/86/455364986.db2.gz YWZCGMGXUOGWJD-HNNXBMFYSA-N 1 2 333.363 3.418 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])cc1F ZINC000184239454 455364992 /nfs/dbraw/zinc/36/49/92/455364992.db2.gz YWZCGMGXUOGWJD-HNNXBMFYSA-N 1 2 333.363 3.418 20 5 EGBDLO Cc1ncsc1C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066566149 453852678 /nfs/dbraw/zinc/85/26/78/453852678.db2.gz XTOMQEGETPTSOS-UHFFFAOYSA-N 1 2 345.384 3.042 20 5 EGBDLO Cc1ncsc1C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066566149 453852681 /nfs/dbraw/zinc/85/26/81/453852681.db2.gz XTOMQEGETPTSOS-UHFFFAOYSA-N 1 2 345.384 3.042 20 5 EGBDLO O=C(NCCC1=CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032043849 453862219 /nfs/dbraw/zinc/86/22/19/453862219.db2.gz ALSWDDQBYCQLCD-UHFFFAOYSA-N 1 2 340.383 3.401 20 5 EGBDLO Cc1ccsc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032165046 453865599 /nfs/dbraw/zinc/86/55/99/453865599.db2.gz VDLSCRRDFAGCMF-UHFFFAOYSA-N 1 2 342.380 3.080 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000033303269 453913790 /nfs/dbraw/zinc/91/37/90/453913790.db2.gz DUAVZTPOHKKPCE-TWGQIWQCSA-N 1 2 337.423 3.426 20 5 EGBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000056516387 454063183 /nfs/dbraw/zinc/06/31/83/454063183.db2.gz UHBJYBVNXUDYKR-UHFFFAOYSA-N 1 2 337.339 3.102 20 5 EGBDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088607720 454115792 /nfs/dbraw/zinc/11/57/92/454115792.db2.gz FIWLLCOQHDDCHI-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088607720 454115795 /nfs/dbraw/zinc/11/57/95/454115795.db2.gz FIWLLCOQHDDCHI-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000058224917 454172798 /nfs/dbraw/zinc/17/27/98/454172798.db2.gz DYWXKPREHDBMIB-UHFFFAOYSA-N 1 2 329.360 3.004 20 5 EGBDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cs1 ZINC000184708109 455433495 /nfs/dbraw/zinc/43/34/95/455433495.db2.gz HFOPPJADRHEGQK-NSHDSACASA-N 1 2 348.428 3.211 20 5 EGBDLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000097163056 454419303 /nfs/dbraw/zinc/41/93/03/454419303.db2.gz XNDWEVRYYCJPAC-BLLLJJGKSA-N 1 2 343.387 3.215 20 5 EGBDLO COC(=O)c1oc([C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000091591127 454448022 /nfs/dbraw/zinc/44/80/22/454448022.db2.gz HYHLUULNIURLGJ-LBPRGKRZSA-N 1 2 344.367 3.402 20 5 EGBDLO COC(=O)c1oc([C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000091591127 454448029 /nfs/dbraw/zinc/44/80/29/454448029.db2.gz HYHLUULNIURLGJ-LBPRGKRZSA-N 1 2 344.367 3.402 20 5 EGBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000092191446 454535280 /nfs/dbraw/zinc/53/52/80/454535280.db2.gz JZPUHHHVARTTTN-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000093388824 454711629 /nfs/dbraw/zinc/71/16/29/454711629.db2.gz OFVQPZWONFKRCJ-LJQANCHMSA-N 1 2 342.395 3.172 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000093388824 454711631 /nfs/dbraw/zinc/71/16/31/454711631.db2.gz OFVQPZWONFKRCJ-LJQANCHMSA-N 1 2 342.395 3.172 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136940590 454762232 /nfs/dbraw/zinc/76/22/32/454762232.db2.gz BPNDJBNQEVMTGS-UHFFFAOYSA-N 1 2 348.790 3.265 20 5 EGBDLO CC[C@@H](C)CN(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176628070 454764955 /nfs/dbraw/zinc/76/49/55/454764955.db2.gz DGBRQBOMGBPVCM-CYBMUJFWSA-N 1 2 330.388 3.289 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c2c(c1)COCO2 ZINC000125492925 454826884 /nfs/dbraw/zinc/82/68/84/454826884.db2.gz PBCHBQAKUMUWOM-QGZVFWFLSA-N 1 2 341.367 3.193 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c2c(c1)COCO2 ZINC000125492925 454826889 /nfs/dbraw/zinc/82/68/89/454826889.db2.gz PBCHBQAKUMUWOM-QGZVFWFLSA-N 1 2 341.367 3.193 20 5 EGBDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000151635703 455010764 /nfs/dbraw/zinc/01/07/64/455010764.db2.gz KALACVDJCPSHHQ-UHFFFAOYSA-N 1 2 338.205 3.328 20 5 EGBDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000151635703 455010769 /nfs/dbraw/zinc/01/07/69/455010769.db2.gz KALACVDJCPSHHQ-UHFFFAOYSA-N 1 2 338.205 3.328 20 5 EGBDLO O=[N+]([O-])c1ccc(OCCOc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000181660415 455369706 /nfs/dbraw/zinc/36/97/06/455369706.db2.gz ZUQXAFIMNXUUPW-UHFFFAOYSA-N 1 2 325.324 3.238 20 5 EGBDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000182665324 455563514 /nfs/dbraw/zinc/56/35/14/455563514.db2.gz WOHJYLFUOPMCKH-JTQLQIEISA-N 1 2 331.763 3.142 20 5 EGBDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000182665342 455563998 /nfs/dbraw/zinc/56/39/98/455563998.db2.gz WOHJYLFUOPMCKH-SNVBAGLBSA-N 1 2 331.763 3.142 20 5 EGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283894110 455609064 /nfs/dbraw/zinc/60/90/64/455609064.db2.gz BDFMAUDSEHQFJI-CQSZACIVSA-N 1 2 345.359 3.180 20 5 EGBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283894110 455609068 /nfs/dbraw/zinc/60/90/68/455609068.db2.gz BDFMAUDSEHQFJI-CQSZACIVSA-N 1 2 345.359 3.180 20 5 EGBDLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccccc3[N+](=O)[O-])c2cc1C ZINC000270063739 455869235 /nfs/dbraw/zinc/86/92/35/455869235.db2.gz CUCIPHHYVLQTGG-AWEZNQCLSA-N 1 2 341.367 3.001 20 5 EGBDLO Cc1cc(N[C@@H](C)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270107780 455879310 /nfs/dbraw/zinc/87/93/10/455879310.db2.gz CWRZCJKFNJWCSR-GXTWGEPZSA-N 1 2 328.372 3.197 20 5 EGBDLO CC(C)c1nnc([C@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000280078543 455886305 /nfs/dbraw/zinc/88/63/05/455886305.db2.gz NRFRPSBAUBFARH-IUODEOHRSA-N 1 2 346.387 3.236 20 5 EGBDLO CC(C)c1nnc([C@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000280078543 455886308 /nfs/dbraw/zinc/88/63/08/455886308.db2.gz NRFRPSBAUBFARH-IUODEOHRSA-N 1 2 346.387 3.236 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000272808889 456075845 /nfs/dbraw/zinc/07/58/45/456075845.db2.gz MSOKCPZRPJVHGQ-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000272808889 456075847 /nfs/dbraw/zinc/07/58/47/456075847.db2.gz MSOKCPZRPJVHGQ-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000272808889 456075851 /nfs/dbraw/zinc/07/58/51/456075851.db2.gz MSOKCPZRPJVHGQ-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000272808889 456075855 /nfs/dbraw/zinc/07/58/55/456075855.db2.gz MSOKCPZRPJVHGQ-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000272808889 456075861 /nfs/dbraw/zinc/07/58/61/456075861.db2.gz MSOKCPZRPJVHGQ-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000272808889 456075864 /nfs/dbraw/zinc/07/58/64/456075864.db2.gz MSOKCPZRPJVHGQ-LBPRGKRZSA-N 1 2 335.795 3.054 20 5 EGBDLO CC(C)OCc1nc([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])no1 ZINC000290960412 456478478 /nfs/dbraw/zinc/47/84/78/456478478.db2.gz RLOYFLFRVGYCOO-CFNZNRNTSA-N 1 2 346.387 3.267 20 5 EGBDLO CC(C)(C)n1ncnc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000282846839 456644071 /nfs/dbraw/zinc/64/40/71/456644071.db2.gz TWAVLZOVNVCZEW-HNNXBMFYSA-N 1 2 343.431 3.454 20 5 EGBDLO Cc1cnc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000353711236 456867437 /nfs/dbraw/zinc/86/74/37/456867437.db2.gz NCKUKKLKVOGFSJ-XQRVVYSFSA-N 1 2 344.440 3.195 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000339035116 456909041 /nfs/dbraw/zinc/90/90/41/456909041.db2.gz UDTSHCQEVYESME-UHFFFAOYSA-N 1 2 346.358 3.235 20 5 EGBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339210547 456993696 /nfs/dbraw/zinc/99/36/96/456993696.db2.gz ZBXKGSPAZPIZPA-ZDUSSCGKSA-N 1 2 345.374 3.150 20 5 EGBDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339210547 456993699 /nfs/dbraw/zinc/99/36/99/456993699.db2.gz ZBXKGSPAZPIZPA-ZDUSSCGKSA-N 1 2 345.374 3.150 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000359087818 457052660 /nfs/dbraw/zinc/05/26/60/457052660.db2.gz YPYOIRANKXPHJA-UHFFFAOYSA-N 1 2 337.383 3.464 20 5 EGBDLO COc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000339522945 457133675 /nfs/dbraw/zinc/13/36/75/457133675.db2.gz HOXNLOCVGQWENZ-UHFFFAOYSA-N 1 2 326.274 3.311 20 5 EGBDLO COc1ccc(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000350039038 457152092 /nfs/dbraw/zinc/15/20/92/457152092.db2.gz WVWGJRXMEBFSTB-UHFFFAOYSA-N 1 2 328.368 3.474 20 5 EGBDLO COc1ccc(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000350039038 457152098 /nfs/dbraw/zinc/15/20/98/457152098.db2.gz WVWGJRXMEBFSTB-UHFFFAOYSA-N 1 2 328.368 3.474 20 5 EGBDLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000346775687 457163390 /nfs/dbraw/zinc/16/33/90/457163390.db2.gz JEAMZHZNLCQDKN-UHFFFAOYSA-N 1 2 348.362 3.043 20 5 EGBDLO O=[N+]([O-])c1c(NCc2ccc(-n3cc[nH+]c3)nc2)ccc2ncccc21 ZINC000363109545 457225362 /nfs/dbraw/zinc/22/53/62/457225362.db2.gz YUEXLXYOFXIYNW-UHFFFAOYSA-N 1 2 346.350 3.336 20 5 EGBDLO Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000347169577 457268766 /nfs/dbraw/zinc/26/87/66/457268766.db2.gz OPCLYNGBVMRXEQ-UHFFFAOYSA-N 1 2 336.351 3.400 20 5 EGBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000373998734 457433158 /nfs/dbraw/zinc/43/31/58/457433158.db2.gz YGXRUKZEVFXJEV-XVJNWHFHSA-N 1 2 326.356 3.085 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000360944106 457451985 /nfs/dbraw/zinc/45/19/85/457451985.db2.gz KZHSNGRPXFNANF-ZBFHGGJFSA-N 1 2 342.399 3.250 20 5 EGBDLO Cc1cc(F)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(F)c1 ZINC000425339126 457505244 /nfs/dbraw/zinc/50/52/44/457505244.db2.gz RHANKPBEWYXHHO-GFCCVEGCSA-N 1 2 348.353 3.263 20 5 EGBDLO Cc1cc(F)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(F)c1 ZINC000425339126 457505251 /nfs/dbraw/zinc/50/52/51/457505251.db2.gz RHANKPBEWYXHHO-GFCCVEGCSA-N 1 2 348.353 3.263 20 5 EGBDLO C[C@@H]1SCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccccc1 ZINC000370055813 457522230 /nfs/dbraw/zinc/52/22/30/457522230.db2.gz NEISFICYOIBRAG-WFASDCNBSA-N 1 2 332.429 3.007 20 5 EGBDLO C[C@@H]1SCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccccc1 ZINC000370055813 457522233 /nfs/dbraw/zinc/52/22/33/457522233.db2.gz NEISFICYOIBRAG-WFASDCNBSA-N 1 2 332.429 3.007 20 5 EGBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000357445146 457531331 /nfs/dbraw/zinc/53/13/31/457531331.db2.gz AOVLCKVNKIEHIY-LLVKDONJSA-N 1 2 342.380 3.362 20 5 EGBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(F)c(F)c1 ZINC000361259431 457669706 /nfs/dbraw/zinc/66/97/06/457669706.db2.gz ATNODTRLAFUOHC-UHFFFAOYSA-N 1 2 332.310 3.381 20 5 EGBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(F)c(F)c1 ZINC000361259431 457669711 /nfs/dbraw/zinc/66/97/11/457669711.db2.gz ATNODTRLAFUOHC-UHFFFAOYSA-N 1 2 332.310 3.381 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000371042300 457769950 /nfs/dbraw/zinc/76/99/50/457769950.db2.gz IRFKBHKMQOGBKC-SNVBAGLBSA-N 1 2 349.778 3.003 20 5 EGBDLO Cc1csc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)n1 ZINC000444687375 457940072 /nfs/dbraw/zinc/94/00/72/457940072.db2.gz GKVMOOZZMUSHBX-HNNXBMFYSA-N 1 2 343.412 3.477 20 5 EGBDLO Cc1ccc(F)c(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000444745233 457963967 /nfs/dbraw/zinc/96/39/67/457963967.db2.gz SXBRAWKRJMBSLV-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO Cc1ccc(F)c(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000444745233 457963971 /nfs/dbraw/zinc/96/39/71/457963971.db2.gz SXBRAWKRJMBSLV-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO COC(=O)c1cccc2c1CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000459534503 458403243 /nfs/dbraw/zinc/40/32/43/458403243.db2.gz IJJFYGQILZRREE-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000459534503 458403248 /nfs/dbraw/zinc/40/32/48/458403248.db2.gz IJJFYGQILZRREE-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO C[C@H](C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000459835786 458486602 /nfs/dbraw/zinc/48/66/02/458486602.db2.gz XREMDLHPQLSZFQ-SNVBAGLBSA-N 1 2 344.358 3.283 20 5 EGBDLO C[C@H](C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000459835786 458486607 /nfs/dbraw/zinc/48/66/07/458486607.db2.gz XREMDLHPQLSZFQ-SNVBAGLBSA-N 1 2 344.358 3.283 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000470177009 458620441 /nfs/dbraw/zinc/62/04/41/458620441.db2.gz ZWNVMCIXRMHCCX-NTCAYCPXSA-N 1 2 345.443 3.188 20 5 EGBDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000546735696 458669323 /nfs/dbraw/zinc/66/93/23/458669323.db2.gz NJMLENUCIHZHHZ-MRXNPFEDSA-N 1 2 336.432 3.344 20 5 EGBDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000546735696 458669328 /nfs/dbraw/zinc/66/93/28/458669328.db2.gz NJMLENUCIHZHHZ-MRXNPFEDSA-N 1 2 336.432 3.344 20 5 EGBDLO CC[C@@H](Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)c1[nH]cc[nH+]1 ZINC000439649450 458737017 /nfs/dbraw/zinc/73/70/17/458737017.db2.gz PLOIZPQKNXCODY-CQSZACIVSA-N 1 2 338.371 3.068 20 5 EGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518786990 458893534 /nfs/dbraw/zinc/89/35/34/458893534.db2.gz KUHUJQJTPULQEG-UHFFFAOYSA-N 1 2 326.287 3.376 20 5 EGBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCCCCC1 ZINC000441257183 458906387 /nfs/dbraw/zinc/90/63/87/458906387.db2.gz HTKFMITXKFQSIW-UHFFFAOYSA-N 1 2 345.443 3.398 20 5 EGBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCCCCC1 ZINC000441257183 458906391 /nfs/dbraw/zinc/90/63/91/458906391.db2.gz HTKFMITXKFQSIW-UHFFFAOYSA-N 1 2 345.443 3.398 20 5 EGBDLO Cc1nn(C)c(NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)c1[N+](=O)[O-] ZINC000594584475 459097721 /nfs/dbraw/zinc/09/77/21/459097721.db2.gz CQHFGYQKZDVTAV-UHFFFAOYSA-N 1 2 340.387 3.242 20 5 EGBDLO CO[C@@]1(C)CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000480354552 459196047 /nfs/dbraw/zinc/19/60/47/459196047.db2.gz GZQJCUPBGXDTDM-SFHVURJKSA-N 1 2 342.399 3.366 20 5 EGBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc1 ZINC000590754921 459205121 /nfs/dbraw/zinc/20/51/21/459205121.db2.gz SPTOTPUBGMCBLU-CQSZACIVSA-N 1 2 342.399 3.066 20 5 EGBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)nc1 ZINC000590754921 459205122 /nfs/dbraw/zinc/20/51/22/459205122.db2.gz SPTOTPUBGMCBLU-CQSZACIVSA-N 1 2 342.399 3.066 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595287769 459268235 /nfs/dbraw/zinc/26/82/35/459268235.db2.gz HZPZMWKLWAQOKT-ZDUSSCGKSA-N 1 2 347.371 3.246 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595287769 459268239 /nfs/dbraw/zinc/26/82/39/459268239.db2.gz HZPZMWKLWAQOKT-ZDUSSCGKSA-N 1 2 347.371 3.246 20 5 EGBDLO Cc1noc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595317894 459275823 /nfs/dbraw/zinc/27/58/23/459275823.db2.gz FXBXDROOOSPTMW-UHFFFAOYSA-N 1 2 347.215 3.208 20 5 EGBDLO Cc1noc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595317894 459275830 /nfs/dbraw/zinc/27/58/30/459275830.db2.gz FXBXDROOOSPTMW-UHFFFAOYSA-N 1 2 347.215 3.208 20 5 EGBDLO Cn1cc(CSc2nc3ccccc3c3[nH+]c4ccccc4n32)nn1 ZINC000534197287 459298177 /nfs/dbraw/zinc/29/81/77/459298177.db2.gz GUSMHQLEWMWLPN-UHFFFAOYSA-N 1 2 346.419 3.457 20 5 EGBDLO Cc1c(Cc2nc(Cc3cn4ccccc4[nH+]3)no2)cccc1[N+](=O)[O-] ZINC000545628328 459842161 /nfs/dbraw/zinc/84/21/61/459842161.db2.gz NJIVEWMAQIETAE-UHFFFAOYSA-N 1 2 349.350 3.116 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000609358618 459949766 /nfs/dbraw/zinc/94/97/66/459949766.db2.gz NNQNELUYYKJSTB-OAHLLOKOSA-N 1 2 329.404 3.154 20 5 EGBDLO COC[C@]1(C)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602675709 460060647 /nfs/dbraw/zinc/06/06/47/460060647.db2.gz WJUXRCNMPIQJEW-GFCCVEGCSA-N 1 2 349.250 3.277 20 5 EGBDLO COC[C@]1(C)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602675709 460060653 /nfs/dbraw/zinc/06/06/53/460060653.db2.gz WJUXRCNMPIQJEW-GFCCVEGCSA-N 1 2 349.250 3.277 20 5 EGBDLO O=C(C[N@@H+]1CCCC(F)(F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599552197 460272793 /nfs/dbraw/zinc/27/27/93/460272793.db2.gz XDKSPDOHZFDFRQ-UHFFFAOYSA-N 1 2 347.749 3.308 20 5 EGBDLO O=C(C[N@H+]1CCCC(F)(F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599552197 460272796 /nfs/dbraw/zinc/27/27/96/460272796.db2.gz XDKSPDOHZFDFRQ-UHFFFAOYSA-N 1 2 347.749 3.308 20 5 EGBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584844 460279204 /nfs/dbraw/zinc/27/92/04/460279204.db2.gz CEHLBOLWAJDLMR-WCQYABFASA-N 1 2 340.445 3.456 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584844 460279209 /nfs/dbraw/zinc/27/92/09/460279209.db2.gz CEHLBOLWAJDLMR-WCQYABFASA-N 1 2 340.445 3.456 20 5 EGBDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000604532754 460442391 /nfs/dbraw/zinc/44/23/91/460442391.db2.gz CBJONZVCUORQDE-RISCZKNCSA-N 1 2 344.367 3.372 20 5 EGBDLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190039783 534815243 /nfs/dbraw/zinc/81/52/43/534815243.db2.gz KMEMMVVXWHBBTB-GOSISDBHSA-N 1 2 342.351 3.136 20 5 EGBDLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000190039783 534815247 /nfs/dbraw/zinc/81/52/47/534815247.db2.gz KMEMMVVXWHBBTB-GOSISDBHSA-N 1 2 342.351 3.136 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2ccc([N+](=O)[O-])cc2F)c1C ZINC000736793978 576031645 /nfs/dbraw/zinc/03/16/45/576031645.db2.gz DERKSMDLRYRPSI-UHFFFAOYSA-N 1 2 334.303 3.111 20 5 EGBDLO CC[N@H+](C)[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000745100648 576841175 /nfs/dbraw/zinc/84/11/75/576841175.db2.gz MOWMTLTVQRGZRF-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO CC[N@@H+](C)[C@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000745100648 576841176 /nfs/dbraw/zinc/84/11/76/576841176.db2.gz MOWMTLTVQRGZRF-KRWDZBQOSA-N 1 2 346.358 3.470 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827712677 1292359363 /nfs/dbraw/zinc/35/93/63/1292359363.db2.gz KYJCDSLWZIHBJM-INIZCTEOSA-N 1 2 347.415 3.180 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827712677 1292359366 /nfs/dbraw/zinc/35/93/66/1292359366.db2.gz KYJCDSLWZIHBJM-INIZCTEOSA-N 1 2 347.415 3.180 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000833689870 1293065047 /nfs/dbraw/zinc/06/50/47/1293065047.db2.gz BGHFAZHJNCYIBF-UHFFFAOYSA-N 1 2 348.428 3.454 20 5 EGBDLO CC(C)CCOCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835096975 1293208208 /nfs/dbraw/zinc/20/82/08/1293208208.db2.gz GHBXJSFZQADPQQ-UHFFFAOYSA-N 1 2 347.371 3.000 20 5 EGBDLO CC[N@@H+](Cc1ccccn1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121248362 1293362694 /nfs/dbraw/zinc/36/26/94/1293362694.db2.gz RTHFBWOPWITDEB-UHFFFAOYSA-N 1 2 325.372 3.128 20 5 EGBDLO CC[N@H+](Cc1ccccn1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121248362 1293362706 /nfs/dbraw/zinc/36/27/06/1293362706.db2.gz RTHFBWOPWITDEB-UHFFFAOYSA-N 1 2 325.372 3.128 20 5 EGBDLO C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000759249633 1301049499 /nfs/dbraw/zinc/04/94/99/1301049499.db2.gz YTFHRZIQROIYTR-FZMZJTMJSA-N 1 2 343.412 3.489 20 5 EGBDLO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767765836 1302760722 /nfs/dbraw/zinc/76/07/22/1302760722.db2.gz PZEMWOXOAHAQSR-ZYHUDNBSSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000767765836 1302760725 /nfs/dbraw/zinc/76/07/25/1302760725.db2.gz PZEMWOXOAHAQSR-ZYHUDNBSSA-N 1 2 345.241 3.412 20 5 EGBDLO CN(C)c1cc(CSCCOc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000767877749 1302777399 /nfs/dbraw/zinc/77/73/99/1302777399.db2.gz WQKJUOXDLBVOLW-UHFFFAOYSA-N 1 2 333.413 3.368 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000885958843 1303298383 /nfs/dbraw/zinc/29/83/83/1303298383.db2.gz MTKBKKKBSHDMAU-UHFFFAOYSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000885965942 1303301485 /nfs/dbraw/zinc/30/14/85/1303301485.db2.gz YXDMULYMDFLDTC-KRWDZBQOSA-N 1 2 327.384 3.171 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000885965942 1303301492 /nfs/dbraw/zinc/30/14/92/1303301492.db2.gz YXDMULYMDFLDTC-KRWDZBQOSA-N 1 2 327.384 3.171 20 5 EGBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000776587148 1304176590 /nfs/dbraw/zinc/17/65/90/1304176590.db2.gz USYGSHBBRAQKPS-JLZZUVOBSA-N 1 2 348.424 3.152 20 5 EGBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000776587148 1304176594 /nfs/dbraw/zinc/17/65/94/1304176594.db2.gz USYGSHBBRAQKPS-JLZZUVOBSA-N 1 2 348.424 3.152 20 5 EGBDLO O=C(OCCCn1cc[nH+]c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000782484345 1304981452 /nfs/dbraw/zinc/98/14/52/1304981452.db2.gz PCFIFUVHAFZYEH-UHFFFAOYSA-N 1 2 331.353 3.253 20 5 EGBDLO COc1c(O)ccc(CNc2ccc([NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000892341418 1305324297 /nfs/dbraw/zinc/32/42/97/1305324297.db2.gz WPYXICJZAYTPQU-UHFFFAOYSA-N 1 2 331.372 3.296 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000785835501 1305448951 /nfs/dbraw/zinc/44/89/51/1305448951.db2.gz RFACIPDRIWZTRY-AWEZNQCLSA-N 1 2 349.337 3.311 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000785835501 1305448954 /nfs/dbraw/zinc/44/89/54/1305448954.db2.gz RFACIPDRIWZTRY-AWEZNQCLSA-N 1 2 349.337 3.311 20 5 EGBDLO CCSCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792890836 1309253259 /nfs/dbraw/zinc/25/32/59/1309253259.db2.gz BHLQXRWMMINUAY-UHFFFAOYSA-N 1 2 345.262 3.469 20 5 EGBDLO CCSCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792890836 1309253270 /nfs/dbraw/zinc/25/32/70/1309253270.db2.gz BHLQXRWMMINUAY-UHFFFAOYSA-N 1 2 345.262 3.469 20 5 EGBDLO C[C@H](c1ccc(F)nc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929154932 1328526161 /nfs/dbraw/zinc/52/61/61/1328526161.db2.gz WCNVBZHOIBKHJB-CYBMUJFWSA-N 1 2 330.363 3.012 20 5 EGBDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000802785888 1317039920 /nfs/dbraw/zinc/03/99/20/1317039920.db2.gz JWFXFXREDUYNCC-UHFFFAOYSA-N 1 2 345.399 3.415 20 5 EGBDLO CCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929722310 1328678766 /nfs/dbraw/zinc/67/87/66/1328678766.db2.gz LRHQHVXAYLKHDN-UHFFFAOYSA-N 1 2 343.221 3.094 20 5 EGBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000804339892 1317220462 /nfs/dbraw/zinc/22/04/62/1317220462.db2.gz OQFQQKJYCVYVNJ-UHFFFAOYSA-N 1 2 343.343 3.110 20 5 EGBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000807924402 1317602318 /nfs/dbraw/zinc/60/23/18/1317602318.db2.gz HIPMDHWIOCAKPT-UHFFFAOYSA-N 1 2 340.383 3.405 20 5 EGBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809915479 1317916577 /nfs/dbraw/zinc/91/65/77/1317916577.db2.gz RFBSITFXZCHAPX-UHFFFAOYSA-N 1 2 345.746 3.218 20 5 EGBDLO Cc1cc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)cc(C)[nH+]1 ZINC000817124764 1319282182 /nfs/dbraw/zinc/28/21/82/1319282182.db2.gz VZGOUCSKPYMIRA-UHFFFAOYSA-N 1 2 340.383 3.111 20 5 EGBDLO C[N@H+](CC(=O)NCCC1=CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000914790513 1319379597 /nfs/dbraw/zinc/37/95/97/1319379597.db2.gz ZIVVFZZTGBWTNZ-UHFFFAOYSA-N 1 2 331.416 3.033 20 5 EGBDLO C[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000914790513 1319379609 /nfs/dbraw/zinc/37/96/09/1319379609.db2.gz ZIVVFZZTGBWTNZ-UHFFFAOYSA-N 1 2 331.416 3.033 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151444 1319609788 /nfs/dbraw/zinc/60/97/88/1319609788.db2.gz IMQPFMVXOWDXKQ-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151444 1319609816 /nfs/dbraw/zinc/60/98/16/1319609816.db2.gz IMQPFMVXOWDXKQ-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916403506 1319649873 /nfs/dbraw/zinc/64/98/73/1319649873.db2.gz DVVYRZUMGTYVSQ-UHFFFAOYSA-N 1 2 337.335 3.367 20 5 EGBDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839675045 1320958614 /nfs/dbraw/zinc/95/86/14/1320958614.db2.gz OAVQHTJQMVPGSC-NXEZZACHSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000839675045 1320958615 /nfs/dbraw/zinc/95/86/15/1320958615.db2.gz OAVQHTJQMVPGSC-NXEZZACHSA-N 1 2 333.215 3.494 20 5 EGBDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@]1(C)CO ZINC000852701252 1323228697 /nfs/dbraw/zinc/22/86/97/1323228697.db2.gz AUEVAOWNWHQWKE-LKFCYVNXSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@]1(C)CO ZINC000852701252 1323228710 /nfs/dbraw/zinc/22/87/10/1323228710.db2.gz AUEVAOWNWHQWKE-LKFCYVNXSA-N 1 2 333.215 3.352 20 5 EGBDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000852776815 1323242048 /nfs/dbraw/zinc/24/20/48/1323242048.db2.gz BVPJWRDHVPWCJU-IYBDPMFKSA-N 1 2 347.415 3.179 20 5 EGBDLO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000852776815 1323242054 /nfs/dbraw/zinc/24/20/54/1323242054.db2.gz BVPJWRDHVPWCJU-IYBDPMFKSA-N 1 2 347.415 3.179 20 5 EGBDLO C[C@@H](CNc1cccc(Br)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000856724049 1325513711 /nfs/dbraw/zinc/51/37/11/1325513711.db2.gz QHSSRJIKEVRXIG-JTQLQIEISA-N 1 2 339.193 3.302 20 5 EGBDLO Cc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000927101850 1327862892 /nfs/dbraw/zinc/86/28/92/1327862892.db2.gz GWQGTISCECUBJO-UHFFFAOYSA-N 1 2 340.383 3.015 20 5 EGBDLO CC(C)=C(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029268409 1340964816 /nfs/dbraw/zinc/96/48/16/1340964816.db2.gz FFADEHPRZMFGLL-IYBDPMFKSA-N 1 2 347.390 3.033 20 5 EGBDLO CC(C)=C(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029268409 1340964819 /nfs/dbraw/zinc/96/48/19/1340964819.db2.gz FFADEHPRZMFGLL-IYBDPMFKSA-N 1 2 347.390 3.033 20 5 EGBDLO Cc1nn(C[NH+]2CCC(Cc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC001325171917 1387910169 /nfs/dbraw/zinc/91/01/69/1387910169.db2.gz WTMAGEKLUNAGHD-UHFFFAOYSA-N 1 2 328.416 3.320 20 5 EGBDLO COc1ccc(CSCc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC001116611099 1370946280 /nfs/dbraw/zinc/94/62/80/1370946280.db2.gz SLTKOYSXDFQJHT-UHFFFAOYSA-N 1 2 333.413 3.498 20 5 EGBDLO COc1ncc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC001210136902 1372278786 /nfs/dbraw/zinc/27/87/86/1372278786.db2.gz QDNKXWZEXNNSPT-UHFFFAOYSA-N 1 2 329.360 3.127 20 5 EGBDLO CCC(CC)C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001226169415 1375213690 /nfs/dbraw/zinc/21/36/90/1375213690.db2.gz HAWJOJBAXFPFGY-UHFFFAOYSA-N 1 2 339.461 3.173 20 5 EGBDLO CC[N@@H+]1CCC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898718 1375915355 /nfs/dbraw/zinc/91/53/55/1375915355.db2.gz IQLHCVFUBHFRIR-JTQLQIEISA-N 1 2 347.184 3.360 20 5 EGBDLO CC[N@H+]1CCC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898718 1375915357 /nfs/dbraw/zinc/91/53/57/1375915357.db2.gz IQLHCVFUBHFRIR-JTQLQIEISA-N 1 2 347.184 3.360 20 5 EGBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1c2ccccc2cc2ccccc21 ZINC001153497936 1380085131 /nfs/dbraw/zinc/08/51/31/1380085131.db2.gz KLGKLUOPIXQQIA-MRXNPFEDSA-N 1 2 348.446 3.444 20 5 EGBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1c2ccccc2cc2ccccc21 ZINC001153497936 1380085132 /nfs/dbraw/zinc/08/51/32/1380085132.db2.gz KLGKLUOPIXQQIA-MRXNPFEDSA-N 1 2 348.446 3.444 20 5 EGBDLO O=[N+]([O-])c1ccc2ccnc(NCCc3cn4ccccc4[nH+]3)c2c1 ZINC001158145848 1381140123 /nfs/dbraw/zinc/14/01/23/1381140123.db2.gz YKGNLDCBPQLECD-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC(C)(C)C ZINC001172897169 1384873716 /nfs/dbraw/zinc/87/37/16/1384873716.db2.gz XVOSRAFCSYUMMZ-WFASDCNBSA-N 1 2 334.416 3.162 20 5 EGBDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc([N+](=O)[O-])cc3)c2c1 ZINC001174477435 1385112764 /nfs/dbraw/zinc/11/27/64/1385112764.db2.gz MFHKPUPMOCUPBY-UHFFFAOYSA-N 1 2 337.335 3.485 20 5 EGBDLO CC[N@@H+](Cc1ccccc1F)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001318947293 1385892664 /nfs/dbraw/zinc/89/26/64/1385892664.db2.gz MKGIAFFIGBVIQT-UHFFFAOYSA-N 1 2 343.362 3.267 20 5 EGBDLO CC[N@H+](Cc1ccccc1F)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC001318947293 1385892668 /nfs/dbraw/zinc/89/26/68/1385892668.db2.gz MKGIAFFIGBVIQT-UHFFFAOYSA-N 1 2 343.362 3.267 20 5 EGBDLO Cc1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)ccn1 ZINC001321393333 1386893353 /nfs/dbraw/zinc/89/33/53/1386893353.db2.gz NTEBYVFFWJYAIA-UHFFFAOYSA-N 1 2 348.322 3.201 20 5 EGBDLO CC(C)c1ccc(C(=O)OCCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001348636968 1391247015 /nfs/dbraw/zinc/24/70/15/1391247015.db2.gz ARRJZRFLWYZSGV-UHFFFAOYSA-N 1 2 331.372 3.241 20 5 EGBDLO C[C@@H]1CCCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000187100028 236117701 /nfs/dbraw/zinc/11/77/01/236117701.db2.gz DEPSDOCJRFMKMA-CYBMUJFWSA-N 1 2 328.372 3.043 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000072802187 216307685 /nfs/dbraw/zinc/30/76/85/216307685.db2.gz QWQXANHKEWSNEP-SNVBAGLBSA-N 1 2 345.321 3.196 20 5 EGBDLO Cc1csc([C@@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000266525355 248345035 /nfs/dbraw/zinc/34/50/35/248345035.db2.gz KCIVZFLDWMJJBY-DOMZBBRYSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1csc([C@@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000266525355 248345037 /nfs/dbraw/zinc/34/50/37/248345037.db2.gz KCIVZFLDWMJJBY-DOMZBBRYSA-N 1 2 333.413 3.494 20 5 EGBDLO C[C@H]1SCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000118420562 221147224 /nfs/dbraw/zinc/14/72/24/221147224.db2.gz FMWGDBJSUTZRNI-VHSXEESVSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@H]1SCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000118420562 221147226 /nfs/dbraw/zinc/14/72/26/221147226.db2.gz FMWGDBJSUTZRNI-VHSXEESVSA-N 1 2 343.836 3.013 20 5 EGBDLO CCN(CC)c1ccc(CNc2cccc(OC)c2[N+](=O)[O-])c[nH+]1 ZINC000185184177 144105767 /nfs/dbraw/zinc/10/57/67/144105767.db2.gz MTAUVWVRUQMUQJ-UHFFFAOYSA-N 1 2 330.388 3.457 20 5 EGBDLO C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000351476405 144266262 /nfs/dbraw/zinc/26/62/62/144266262.db2.gz LDPCBRGQDAIAAZ-ZIAGYGMSSA-N 1 2 342.399 3.337 20 5 EGBDLO CC(C)c1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000190146299 153118531 /nfs/dbraw/zinc/11/85/31/153118531.db2.gz UVWJTYQKAUXSQO-UHFFFAOYSA-N 1 2 338.367 3.296 20 5 EGBDLO Cn1nccc1C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000355295768 166156493 /nfs/dbraw/zinc/15/64/93/166156493.db2.gz RRSDPYYKVSZBTQ-UHFFFAOYSA-N 1 2 326.356 3.220 20 5 EGBDLO Cn1nccc1C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000355295768 166156494 /nfs/dbraw/zinc/15/64/94/166156494.db2.gz RRSDPYYKVSZBTQ-UHFFFAOYSA-N 1 2 326.356 3.220 20 5 EGBDLO Cc1nn(Cc2[nH+]ccn2CC(F)(F)F)c2ccc([N+](=O)[O-])cc12 ZINC000355439565 166200762 /nfs/dbraw/zinc/20/07/62/166200762.db2.gz KPWVTOXMBSPZRI-UHFFFAOYSA-N 1 2 339.277 3.060 20 5 EGBDLO CCc1oc2ccccc2c1C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355650393 166272157 /nfs/dbraw/zinc/27/21/57/166272157.db2.gz AKGMAARQQYXMPX-UHFFFAOYSA-N 1 2 328.372 3.269 20 5 EGBDLO CCc1oc2ccccc2c1C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355650393 166272159 /nfs/dbraw/zinc/27/21/59/166272159.db2.gz AKGMAARQQYXMPX-UHFFFAOYSA-N 1 2 328.372 3.269 20 5 EGBDLO Cc1c(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000359026286 167042087 /nfs/dbraw/zinc/04/20/87/167042087.db2.gz IDFSIBPITPBZDT-GOSISDBHSA-N 1 2 339.395 3.013 20 5 EGBDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000366180023 168091319 /nfs/dbraw/zinc/09/13/19/168091319.db2.gz SBBXLYCBSXGOIW-MRXNPFEDSA-N 1 2 341.346 3.372 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000367848784 168277769 /nfs/dbraw/zinc/27/77/69/168277769.db2.gz MVEKKNYSVSHIMQ-HOTGVXAUSA-N 1 2 344.415 3.006 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000367848784 168277772 /nfs/dbraw/zinc/27/77/72/168277772.db2.gz MVEKKNYSVSHIMQ-HOTGVXAUSA-N 1 2 344.415 3.006 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nc(C3CCCC3)no2)ccc1-n1cc[nH+]c1 ZINC000171792284 227283791 /nfs/dbraw/zinc/28/37/91/227283791.db2.gz WXPBEKSIKDPSQE-UHFFFAOYSA-N 1 2 325.328 3.488 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279957688 275381897 /nfs/dbraw/zinc/38/18/97/275381897.db2.gz YDXNFVZKGOTPJO-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279957688 275381899 /nfs/dbraw/zinc/38/18/99/275381899.db2.gz YDXNFVZKGOTPJO-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nccs1 ZINC000283929336 275761270 /nfs/dbraw/zinc/76/12/70/275761270.db2.gz CPBVAECPVWLMIO-CQSZACIVSA-N 1 2 336.373 3.375 20 5 EGBDLO Cc1c(CC(=O)OCc2c[nH+]ccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000286991878 276067815 /nfs/dbraw/zinc/06/78/15/276067815.db2.gz PEAZKNUTHRHBOL-UHFFFAOYSA-N 1 2 344.367 3.371 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)nc2c1 ZINC000289636148 276370046 /nfs/dbraw/zinc/37/00/46/276370046.db2.gz SDBXSMWBKGJRBU-NVXWUHKLSA-N 1 2 343.383 3.270 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)nc2c1 ZINC000289636148 276370047 /nfs/dbraw/zinc/37/00/47/276370047.db2.gz SDBXSMWBKGJRBU-NVXWUHKLSA-N 1 2 343.383 3.270 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000377272213 278036367 /nfs/dbraw/zinc/03/63/67/278036367.db2.gz AJRLQZIYPIGDCM-KBXCAEBGSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000377272213 278036368 /nfs/dbraw/zinc/03/63/68/278036368.db2.gz AJRLQZIYPIGDCM-KBXCAEBGSA-N 1 2 334.416 3.098 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000267479397 290266858 /nfs/dbraw/zinc/26/68/58/290266858.db2.gz XIBKDYVLMAYGNG-VXGBXAGGSA-N 1 2 331.338 3.224 20 5 EGBDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193628198 294395937 /nfs/dbraw/zinc/39/59/37/294395937.db2.gz FOOCXIKOZLQZFY-OAHLLOKOSA-N 1 2 330.344 3.179 20 5 EGBDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193628198 294395942 /nfs/dbraw/zinc/39/59/42/294395942.db2.gz FOOCXIKOZLQZFY-OAHLLOKOSA-N 1 2 330.344 3.179 20 5 EGBDLO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413540477 309036421 /nfs/dbraw/zinc/03/64/21/309036421.db2.gz UYTSRHXMCPLZHS-IPYPFGDCSA-N 1 2 342.399 3.008 20 5 EGBDLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000053145854 307334843 /nfs/dbraw/zinc/33/48/43/307334843.db2.gz KQGVIAVLWIHLEN-LLVKDONJSA-N 1 2 348.428 3.127 20 5 EGBDLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000053145854 307334844 /nfs/dbraw/zinc/33/48/44/307334844.db2.gz KQGVIAVLWIHLEN-LLVKDONJSA-N 1 2 348.428 3.127 20 5 EGBDLO Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] ZINC000130284652 307626259 /nfs/dbraw/zinc/62/62/59/307626259.db2.gz YJYTUFHRHPFVAM-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC3)s1)CCC2 ZINC000414323848 309072917 /nfs/dbraw/zinc/07/29/17/309072917.db2.gz JRVODXPSOBHUJO-AWEZNQCLSA-N 1 2 330.413 3.491 20 5 EGBDLO Cc1cc(Cl)c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000294762004 308254142 /nfs/dbraw/zinc/25/41/42/308254142.db2.gz BFIOHZBJCBKYJE-UHFFFAOYSA-N 1 2 348.790 3.230 20 5 EGBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299662744 308683508 /nfs/dbraw/zinc/68/35/08/308683508.db2.gz NLJUDMGKKMLXIQ-HNNXBMFYSA-N 1 2 339.355 3.167 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2cn3ccccc3[nH+]2)c(Br)c1 ZINC000301533395 308704079 /nfs/dbraw/zinc/70/40/79/308704079.db2.gz LVYISCRKKVCBSV-UHFFFAOYSA-N 1 2 348.160 3.012 20 5 EGBDLO COc1cc(NCCc2cn3ccccc3[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000301861174 308718845 /nfs/dbraw/zinc/71/88/45/308718845.db2.gz KXZRUJMRTDLFGM-UHFFFAOYSA-N 1 2 330.319 3.045 20 5 EGBDLO Cc1cccc([C@H](CNc2sccc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000301930047 308722016 /nfs/dbraw/zinc/72/20/16/308722016.db2.gz KALGROYQAZPNKM-INIZCTEOSA-N 1 2 347.440 3.450 20 5 EGBDLO CCc1cc(N[C@H]2C[C@H](O)C2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302397791 308736738 /nfs/dbraw/zinc/73/67/38/308736738.db2.gz JLDVAUKRAXGRRJ-GJZGRUSLSA-N 1 2 342.399 3.186 20 5 EGBDLO Cc1noc(C2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000413063440 309014161 /nfs/dbraw/zinc/01/41/61/309014161.db2.gz FRKJOQCJCLUZNR-UHFFFAOYSA-N 1 2 339.355 3.218 20 5 EGBDLO CN(C)C(=O)[C@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413146436 309018164 /nfs/dbraw/zinc/01/81/64/309018164.db2.gz TZUWNSKVTXYVRO-KBPBESRZSA-N 1 2 342.399 3.202 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000413230975 309022736 /nfs/dbraw/zinc/02/27/36/309022736.db2.gz BORXPFZQZOSRQT-UHFFFAOYSA-N 1 2 333.367 3.022 20 5 EGBDLO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)c2[nH+]ccn21 ZINC000413310885 309026079 /nfs/dbraw/zinc/02/60/79/309026079.db2.gz DJBJFGRLCPMIBL-XCBNKYQSSA-N 1 2 327.266 3.323 20 5 EGBDLO COC1CCC(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000413421072 309031366 /nfs/dbraw/zinc/03/13/66/309031366.db2.gz QHBNFWOUWYSTML-UHFFFAOYSA-N 1 2 342.399 3.152 20 5 EGBDLO COC1(C(F)(F)F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000418099786 309235357 /nfs/dbraw/zinc/23/53/57/309235357.db2.gz NZRDHRIOZDPGQR-UHFFFAOYSA-N 1 2 336.285 3.277 20 5 EGBDLO CC[C@H]1C[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000421391465 309322428 /nfs/dbraw/zinc/32/24/28/309322428.db2.gz OXDGQPLDJBWEHP-KBPBESRZSA-N 1 2 338.404 3.001 20 5 EGBDLO Cc1cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc(C)[nH+]1 ZINC000421575228 309330238 /nfs/dbraw/zinc/33/02/38/309330238.db2.gz JGPVREHLUGVSHG-UHFFFAOYSA-N 1 2 345.374 3.340 20 5 EGBDLO Cc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc(C)[nH+]1 ZINC000421576727 309330417 /nfs/dbraw/zinc/33/04/17/309330417.db2.gz NEECNRZCHOJXME-UHFFFAOYSA-N 1 2 333.775 3.119 20 5 EGBDLO Cc1cc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421576733 309330506 /nfs/dbraw/zinc/33/05/06/309330506.db2.gz NFKPDAUCHGYBHG-UHFFFAOYSA-N 1 2 327.384 3.201 20 5 EGBDLO O=[N+]([O-])c1ccc(SCc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000421838909 309342583 /nfs/dbraw/zinc/34/25/83/309342583.db2.gz VVJLHPOSFLOLCD-UHFFFAOYSA-N 1 2 345.424 3.114 20 5 EGBDLO O=[N+]([O-])c1cccc2c(N[C@H]3CCN(c4cccc[nH+]4)C3)ccnc21 ZINC000432342936 309658011 /nfs/dbraw/zinc/65/80/11/309658011.db2.gz PJSFXXADUCVFPE-ZDUSSCGKSA-N 1 2 335.367 3.229 20 5 EGBDLO CC(C)c1[nH]nc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000433754909 309695229 /nfs/dbraw/zinc/69/52/29/309695229.db2.gz ZUGJNGSLSGBZQD-UHFFFAOYSA-N 1 2 340.343 3.084 20 5 EGBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000447807073 309989288 /nfs/dbraw/zinc/98/92/88/309989288.db2.gz PCDCPYCGBKHENZ-HOTGVXAUSA-N 1 2 347.459 3.299 20 5 EGBDLO CSCCCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450746840 310140607 /nfs/dbraw/zinc/14/06/07/310140607.db2.gz LMNNRNPUBIIIAP-UHFFFAOYSA-N 1 2 348.428 3.044 20 5 EGBDLO C[C@@H]1C[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450836325 310144994 /nfs/dbraw/zinc/14/49/94/310144994.db2.gz YNOCJLFXOJSNNQ-APPZFPTMSA-N 1 2 338.165 3.067 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCC(C)(C)C1 ZINC000451363133 310174337 /nfs/dbraw/zinc/17/43/37/310174337.db2.gz SDINYJWHWATDGU-CQSZACIVSA-N 1 2 342.399 3.431 20 5 EGBDLO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548823 310185420 /nfs/dbraw/zinc/18/54/20/310185420.db2.gz OOJHVESWVIFNIL-INIZCTEOSA-N 1 2 343.431 3.222 20 5 EGBDLO CC(C)Cn1ncnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548823 310185421 /nfs/dbraw/zinc/18/54/21/310185421.db2.gz OOJHVESWVIFNIL-INIZCTEOSA-N 1 2 343.431 3.222 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451798363 310197728 /nfs/dbraw/zinc/19/77/28/310197728.db2.gz LRCDZUVXPTUONH-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451798363 310197729 /nfs/dbraw/zinc/19/77/29/310197729.db2.gz LRCDZUVXPTUONH-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO CCCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451862226 310200850 /nfs/dbraw/zinc/20/08/50/310200850.db2.gz GPNSRRTURMYLDJ-ZDUSSCGKSA-N 1 2 330.388 3.431 20 5 EGBDLO Cc1c(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000454192132 310296388 /nfs/dbraw/zinc/29/63/88/310296388.db2.gz AOKSOKMIZRVRBE-CQSZACIVSA-N 1 2 343.387 3.252 20 5 EGBDLO Cc1cc(C)c(CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c[nH+]1 ZINC000456855607 310425798 /nfs/dbraw/zinc/42/57/98/310425798.db2.gz ZPXHHSYKKHOWKQ-UHFFFAOYSA-N 1 2 327.384 3.462 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000459069570 310532471 /nfs/dbraw/zinc/53/24/71/310532471.db2.gz XKHDRWAKVQPDKJ-GFCCVEGCSA-N 1 2 345.403 3.107 20 5 EGBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831550 311154286 /nfs/dbraw/zinc/15/42/86/311154286.db2.gz YMNLNEIARROJHZ-KBXCAEBGSA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831550 311154287 /nfs/dbraw/zinc/15/42/87/311154287.db2.gz YMNLNEIARROJHZ-KBXCAEBGSA-N 1 2 345.443 3.254 20 5 EGBDLO COC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536642668 314133945 /nfs/dbraw/zinc/13/39/45/314133945.db2.gz TUTYMALFXNYLRC-YRNVUSSQSA-N 1 2 340.379 3.283 20 5 EGBDLO COC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536642668 314133949 /nfs/dbraw/zinc/13/39/49/314133949.db2.gz TUTYMALFXNYLRC-YRNVUSSQSA-N 1 2 340.379 3.283 20 5 EGBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550064555 315114789 /nfs/dbraw/zinc/11/47/89/315114789.db2.gz SMLLSIXYDGSOKA-JTQLQIEISA-N 1 2 348.321 3.387 20 5 EGBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000550064555 315114791 /nfs/dbraw/zinc/11/47/91/315114791.db2.gz SMLLSIXYDGSOKA-JTQLQIEISA-N 1 2 348.321 3.387 20 5 EGBDLO CCc1cc(N[C@H]2CC[C@@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000565793976 316370393 /nfs/dbraw/zinc/37/03/93/316370393.db2.gz AGYDLZLVMKVCPB-OCCSQVGLSA-N 1 2 330.363 3.339 20 5 EGBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566625330 316504961 /nfs/dbraw/zinc/50/49/61/316504961.db2.gz NKWAYGLLQAKCTQ-GFCCVEGCSA-N 1 2 331.376 3.201 20 5 EGBDLO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000016429965 323212896 /nfs/dbraw/zinc/21/28/96/323212896.db2.gz VBMUQXOQMALJCP-UHFFFAOYSA-N 1 2 336.395 3.472 20 5 EGBDLO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000016429965 323212898 /nfs/dbraw/zinc/21/28/98/323212898.db2.gz VBMUQXOQMALJCP-UHFFFAOYSA-N 1 2 336.395 3.472 20 5 EGBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000179457860 323389407 /nfs/dbraw/zinc/38/94/07/323389407.db2.gz JKVFXUXMWRBTIB-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000179457860 323389410 /nfs/dbraw/zinc/38/94/10/323389410.db2.gz JKVFXUXMWRBTIB-UHFFFAOYSA-N 1 2 332.331 3.153 20 5 EGBDLO CC(C)c1cnc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000183007763 323588738 /nfs/dbraw/zinc/58/87/38/323588738.db2.gz CSVAMGNQZAZRBN-UHFFFAOYSA-N 1 2 346.456 3.497 20 5 EGBDLO CCN(CC)c1ccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC000173115421 455233673 /nfs/dbraw/zinc/23/36/73/455233673.db2.gz RZYFPRGFBRNZLY-UHFFFAOYSA-N 1 2 342.399 3.074 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000265387502 455316482 /nfs/dbraw/zinc/31/64/82/455316482.db2.gz FCPWBJQVAFLHQT-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000265387502 455316485 /nfs/dbraw/zinc/31/64/85/455316485.db2.gz FCPWBJQVAFLHQT-NEPJUHHUSA-N 1 2 338.713 3.136 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccsc1 ZINC000007926940 453134451 /nfs/dbraw/zinc/13/44/51/453134451.db2.gz WALOFONEBXEOCL-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccsc1 ZINC000007926940 453134454 /nfs/dbraw/zinc/13/44/54/453134454.db2.gz WALOFONEBXEOCL-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346001 453797784 /nfs/dbraw/zinc/79/77/84/453797784.db2.gz HEONZBAUSOFOKU-CQSZACIVSA-N 1 2 339.395 3.004 20 5 EGBDLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346001 453797785 /nfs/dbraw/zinc/79/77/85/453797785.db2.gz HEONZBAUSOFOKU-CQSZACIVSA-N 1 2 339.395 3.004 20 5 EGBDLO CN(C(=O)C[N@H+](C)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000028960003 453825732 /nfs/dbraw/zinc/82/57/32/453825732.db2.gz UACUOZHQYKSNLH-UHFFFAOYSA-N 1 2 347.802 3.343 20 5 EGBDLO CN(C(=O)C[N@@H+](C)Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000028960003 453825733 /nfs/dbraw/zinc/82/57/33/453825733.db2.gz UACUOZHQYKSNLH-UHFFFAOYSA-N 1 2 347.802 3.343 20 5 EGBDLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029194349 453827206 /nfs/dbraw/zinc/82/72/06/453827206.db2.gz UDWOAKVSOOSJAF-NSHDSACASA-N 1 2 331.397 3.214 20 5 EGBDLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000029194349 453827207 /nfs/dbraw/zinc/82/72/07/453827207.db2.gz UDWOAKVSOOSJAF-NSHDSACASA-N 1 2 331.397 3.214 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029533778 453829602 /nfs/dbraw/zinc/82/96/02/453829602.db2.gz AFHUKIJKUUAVNS-GOSISDBHSA-N 1 2 328.368 3.177 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029533778 453829603 /nfs/dbraw/zinc/82/96/03/453829603.db2.gz AFHUKIJKUUAVNS-GOSISDBHSA-N 1 2 328.368 3.177 20 5 EGBDLO Cc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032636334 453880910 /nfs/dbraw/zinc/88/09/10/453880910.db2.gz IPFYJRWLROKYFT-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000054130935 453912963 /nfs/dbraw/zinc/91/29/63/453912963.db2.gz KGLFNMOPDCXLBM-UHFFFAOYSA-N 1 2 326.287 3.376 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075959521 453942571 /nfs/dbraw/zinc/94/25/71/453942571.db2.gz PKERGCSUCWQDGU-JTQLQIEISA-N 1 2 349.778 3.383 20 5 EGBDLO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000084137861 453972810 /nfs/dbraw/zinc/97/28/10/453972810.db2.gz GRXLCTBQUKUYNM-UHFFFAOYSA-N 1 2 345.321 3.198 20 5 EGBDLO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000084137861 453972814 /nfs/dbraw/zinc/97/28/14/453972814.db2.gz GRXLCTBQUKUYNM-UHFFFAOYSA-N 1 2 345.321 3.198 20 5 EGBDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069069157 454077062 /nfs/dbraw/zinc/07/70/62/454077062.db2.gz XXSIVKDKWKERBS-JTQLQIEISA-N 1 2 337.763 3.473 20 5 EGBDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069069157 454077064 /nfs/dbraw/zinc/07/70/64/454077064.db2.gz XXSIVKDKWKERBS-JTQLQIEISA-N 1 2 337.763 3.473 20 5 EGBDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000069302883 454093093 /nfs/dbraw/zinc/09/30/93/454093093.db2.gz XFRXPBBPWBOXGY-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000069302883 454093094 /nfs/dbraw/zinc/09/30/94/454093094.db2.gz XFRXPBBPWBOXGY-UHFFFAOYSA-N 1 2 345.424 3.387 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000095467279 454218680 /nfs/dbraw/zinc/21/86/80/454218680.db2.gz IZVXYYXOVOKXCD-LBPRGKRZSA-N 1 2 335.751 3.340 20 5 EGBDLO COC(=O)c1ccc([C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000131342047 454246429 /nfs/dbraw/zinc/24/64/29/454246429.db2.gz FSJGJAXLDJDMSS-NSHDSACASA-N 1 2 330.340 3.094 20 5 EGBDLO COC(=O)c1ccc([C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000131342047 454246433 /nfs/dbraw/zinc/24/64/33/454246433.db2.gz FSJGJAXLDJDMSS-NSHDSACASA-N 1 2 330.340 3.094 20 5 EGBDLO Cc1cnc(N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000078627423 454289051 /nfs/dbraw/zinc/28/90/51/454289051.db2.gz KKZSVVJXPKCSJW-HNNXBMFYSA-N 1 2 341.346 3.372 20 5 EGBDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)S1 ZINC000072769934 454337326 /nfs/dbraw/zinc/33/73/26/454337326.db2.gz LVRXCSAUKJMTDA-NXEZZACHSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090970191 454356745 /nfs/dbraw/zinc/35/67/45/454356745.db2.gz KMXLVQCWWULYFW-LLVKDONJSA-N 1 2 343.412 3.303 20 5 EGBDLO Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000120937706 454366153 /nfs/dbraw/zinc/36/61/53/454366153.db2.gz ZEQXZNCFCIVKAA-UHFFFAOYSA-N 1 2 341.411 3.348 20 5 EGBDLO CC(C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000073184274 454405063 /nfs/dbraw/zinc/40/50/63/454405063.db2.gz FFPWGAAUCRHFDF-CQSZACIVSA-N 1 2 342.399 3.289 20 5 EGBDLO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000047743772 454405466 /nfs/dbraw/zinc/40/54/66/454405466.db2.gz YNSQDYVHDZBCHD-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CC(C)CO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000091964806 454497709 /nfs/dbraw/zinc/49/77/09/454497709.db2.gz LNSYKTYNAMCWCS-AWEZNQCLSA-N 1 2 344.358 3.443 20 5 EGBDLO CC(C)CO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000091964806 454497713 /nfs/dbraw/zinc/49/77/13/454497713.db2.gz LNSYKTYNAMCWCS-AWEZNQCLSA-N 1 2 344.358 3.443 20 5 EGBDLO CC(C)c1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000092047792 454509375 /nfs/dbraw/zinc/50/93/75/454509375.db2.gz IXFHZVFDMJPQEU-UHFFFAOYSA-N 1 2 346.456 3.497 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000092436148 454566293 /nfs/dbraw/zinc/56/62/93/454566293.db2.gz FVGOVBZXLCPZKF-MRXNPFEDSA-N 1 2 332.356 3.075 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000092436148 454566298 /nfs/dbraw/zinc/56/62/98/454566298.db2.gz FVGOVBZXLCPZKF-MRXNPFEDSA-N 1 2 332.356 3.075 20 5 EGBDLO CC[NH+](CC)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000092548818 454585397 /nfs/dbraw/zinc/58/53/97/454585397.db2.gz NMKATHQTGSCUEH-QGZVFWFLSA-N 1 2 343.383 3.322 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000080573861 454601549 /nfs/dbraw/zinc/60/15/49/454601549.db2.gz HTKIWGYIZOCUPE-CQSZACIVSA-N 1 2 342.399 3.135 20 5 EGBDLO Cc1cc(NCCc2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000050953548 454602786 /nfs/dbraw/zinc/60/27/86/454602786.db2.gz VWZDDZWVCOPQNG-UHFFFAOYSA-N 1 2 341.396 3.471 20 5 EGBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCOCC2)o1 ZINC000051500661 454628007 /nfs/dbraw/zinc/62/80/07/454628007.db2.gz BDVUQHDVDAVQLT-KRWDZBQOSA-N 1 2 345.399 3.290 20 5 EGBDLO Cc1cc(NCc2ccc(N3CCCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000074741101 454628051 /nfs/dbraw/zinc/62/80/51/454628051.db2.gz INDLZXMOXINZAX-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000124796198 454770409 /nfs/dbraw/zinc/77/04/09/454770409.db2.gz YVTCIVRRAAPUSL-NHYWBVRUSA-N 1 2 348.790 3.168 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000153838095 454839345 /nfs/dbraw/zinc/83/93/45/454839345.db2.gz PQHDIUCWNZTUGY-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000153838095 454839347 /nfs/dbraw/zinc/83/93/47/454839347.db2.gz PQHDIUCWNZTUGY-KRWDZBQOSA-N 1 2 340.383 3.074 20 5 EGBDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127555782 454977175 /nfs/dbraw/zinc/97/71/75/454977175.db2.gz TUIGNXUJTKYTAA-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000127555782 454977182 /nfs/dbraw/zinc/97/71/82/454977182.db2.gz TUIGNXUJTKYTAA-LLVKDONJSA-N 1 2 348.790 3.275 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000128316837 455045049 /nfs/dbraw/zinc/04/50/49/455045049.db2.gz NZEJUXPZFZVYDY-UHFFFAOYSA-N 1 2 338.713 3.137 20 5 EGBDLO Cc1c(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cnn1C ZINC000156530090 455128876 /nfs/dbraw/zinc/12/88/76/455128876.db2.gz UWCNUYONZAHVIB-UHFFFAOYSA-N 1 2 343.412 3.050 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000189502173 455208497 /nfs/dbraw/zinc/20/84/97/455208497.db2.gz NOYRMWDWEIAOHI-UHFFFAOYSA-N 1 2 342.399 3.392 20 5 EGBDLO Cc1cc(NC[C@@H](C)C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265879084 455398336 /nfs/dbraw/zinc/39/83/36/455398336.db2.gz XWZPYOAPLIXSKO-AAEUAGOBSA-N 1 2 330.388 3.179 20 5 EGBDLO Cc1cc(CN2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)on1 ZINC000182587352 455547758 /nfs/dbraw/zinc/54/77/58/455547758.db2.gz VCODPRHKQFCSLH-HNNXBMFYSA-N 1 2 344.415 3.078 20 5 EGBDLO Cc1cc(C[NH+]2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)on1 ZINC000182587352 455547763 /nfs/dbraw/zinc/54/77/63/455547763.db2.gz VCODPRHKQFCSLH-HNNXBMFYSA-N 1 2 344.415 3.078 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000182776537 455584431 /nfs/dbraw/zinc/58/44/31/455584431.db2.gz ITYCAKLYPNNVSY-DOMZBBRYSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000182776537 455584436 /nfs/dbraw/zinc/58/44/36/455584436.db2.gz ITYCAKLYPNNVSY-DOMZBBRYSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1[N+](=O)[O-] ZINC000185608985 455584814 /nfs/dbraw/zinc/58/48/14/455584814.db2.gz WBTCWOIWSZSELZ-AWEZNQCLSA-N 1 2 346.456 3.239 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@](=O)C1 ZINC000277589243 455607182 /nfs/dbraw/zinc/60/71/82/455607182.db2.gz USXMLEUZWZSQNW-RZFZLAGVSA-N 1 2 348.424 3.055 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@](=O)C1 ZINC000277589243 455607184 /nfs/dbraw/zinc/60/71/84/455607184.db2.gz USXMLEUZWZSQNW-RZFZLAGVSA-N 1 2 348.424 3.055 20 5 EGBDLO CCC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000247988658 455666549 /nfs/dbraw/zinc/66/65/49/455666549.db2.gz IUTZKBUEMDWUOD-IUODEOHRSA-N 1 2 346.387 3.207 20 5 EGBDLO CCC[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000247988658 455666556 /nfs/dbraw/zinc/66/65/56/455666556.db2.gz IUTZKBUEMDWUOD-IUODEOHRSA-N 1 2 346.387 3.207 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000269003318 455760261 /nfs/dbraw/zinc/76/02/61/455760261.db2.gz YQDHHQNBTPFION-UHFFFAOYSA-N 1 2 339.193 3.080 20 5 EGBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CCCCC1 ZINC000296768769 456032997 /nfs/dbraw/zinc/03/29/97/456032997.db2.gz RDSDKGGHBFZMNK-STQMWFEESA-N 1 2 344.419 3.498 20 5 EGBDLO CC[N@@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC000288212044 456089548 /nfs/dbraw/zinc/08/95/48/456089548.db2.gz CJBQLHRSFZIJBH-AWEZNQCLSA-N 1 2 349.434 3.260 20 5 EGBDLO CC[N@H+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[C@@H](C)C1 ZINC000288212044 456089552 /nfs/dbraw/zinc/08/95/52/456089552.db2.gz CJBQLHRSFZIJBH-AWEZNQCLSA-N 1 2 349.434 3.260 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301431360 456113707 /nfs/dbraw/zinc/11/37/07/456113707.db2.gz GRMVLIVZYMCSMH-IBGZPJMESA-N 1 2 341.411 3.389 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c2ncccc12 ZINC000301630229 456167902 /nfs/dbraw/zinc/16/79/02/456167902.db2.gz IOPPLTYRFBEDQP-AWEZNQCLSA-N 1 2 336.351 3.196 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271199178 456168513 /nfs/dbraw/zinc/16/85/13/456168513.db2.gz OYBVMABBXWPZNG-FPJCUDJDSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271199178 456168524 /nfs/dbraw/zinc/16/85/24/456168524.db2.gz OYBVMABBXWPZNG-FPJCUDJDSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271215368 456177476 /nfs/dbraw/zinc/17/74/76/456177476.db2.gz WLOMNMCKRCPVPU-VXMWWYGOSA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271215368 456177486 /nfs/dbraw/zinc/17/74/86/456177486.db2.gz WLOMNMCKRCPVPU-VXMWWYGOSA-N 1 2 348.424 3.196 20 5 EGBDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302036789 456273503 /nfs/dbraw/zinc/27/35/03/456273503.db2.gz UZTGVHMVYOBTPD-UHFFFAOYSA-N 1 2 337.383 3.489 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352772186 456293551 /nfs/dbraw/zinc/29/35/51/456293551.db2.gz PVTRNOUPBBZUBD-CQSZACIVSA-N 1 2 342.380 3.241 20 5 EGBDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000281846545 456339212 /nfs/dbraw/zinc/33/92/12/456339212.db2.gz JFNDJBMBFYHMQC-LBPRGKRZSA-N 1 2 343.412 3.378 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000302810502 456407140 /nfs/dbraw/zinc/40/71/40/456407140.db2.gz GXPZIFUKTJGBTH-NEPJUHHUSA-N 1 2 327.812 3.078 20 5 EGBDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000348073047 456456601 /nfs/dbraw/zinc/45/66/01/456456601.db2.gz KPWVFZXHBRLBQV-GFCCVEGCSA-N 1 2 338.367 3.174 20 5 EGBDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000348073047 456456605 /nfs/dbraw/zinc/45/66/05/456456605.db2.gz KPWVFZXHBRLBQV-GFCCVEGCSA-N 1 2 338.367 3.174 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(O)c3Cl)nc2c1 ZINC000353236472 456578314 /nfs/dbraw/zinc/57/83/14/456578314.db2.gz SNAIOLLPESMJSG-UHFFFAOYSA-N 1 2 332.747 3.120 20 5 EGBDLO Cc1nc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000340788044 456686191 /nfs/dbraw/zinc/68/61/91/456686191.db2.gz XNTRJYCOODJGFQ-UHFFFAOYSA-N 1 2 329.404 3.192 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1F ZINC000283272423 456750136 /nfs/dbraw/zinc/75/01/36/456750136.db2.gz WSGHOQBZVLGEOC-CYBMUJFWSA-N 1 2 345.378 3.109 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1F ZINC000283272423 456750142 /nfs/dbraw/zinc/75/01/42/456750142.db2.gz WSGHOQBZVLGEOC-CYBMUJFWSA-N 1 2 345.378 3.109 20 5 EGBDLO Cc1cc(NC[C@@H](O)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301119482 456800825 /nfs/dbraw/zinc/80/08/25/456800825.db2.gz PXQMRUFQCDXGLN-HNNXBMFYSA-N 1 2 330.388 3.179 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000348721288 456828561 /nfs/dbraw/zinc/82/85/61/456828561.db2.gz JNYKOXUYLIFZLF-UHFFFAOYSA-N 1 2 329.335 3.086 20 5 EGBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000344591260 456839872 /nfs/dbraw/zinc/83/98/72/456839872.db2.gz JWANCSFGHGEXIM-AWEZNQCLSA-N 1 2 348.790 3.171 20 5 EGBDLO Cc1ccoc1C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000292087683 456851107 /nfs/dbraw/zinc/85/11/07/456851107.db2.gz FDEQKSUWVFVAEL-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO Cc1ccoc1C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000292087683 456851111 /nfs/dbraw/zinc/85/11/11/456851111.db2.gz FDEQKSUWVFVAEL-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292128164 456863348 /nfs/dbraw/zinc/86/33/48/456863348.db2.gz IDEWZFYBIMMDSR-OKILXGFUSA-N 1 2 333.432 3.062 20 5 EGBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000292128164 456863353 /nfs/dbraw/zinc/86/33/53/456863353.db2.gz IDEWZFYBIMMDSR-OKILXGFUSA-N 1 2 333.432 3.062 20 5 EGBDLO CC[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000353869811 456943205 /nfs/dbraw/zinc/94/32/05/456943205.db2.gz LAFKLAQCGDYRII-DZGCQCFKSA-N 1 2 342.399 3.479 20 5 EGBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CC3(CCC3(F)F)C2)c1 ZINC000356536660 457043252 /nfs/dbraw/zinc/04/32/52/457043252.db2.gz ZPLMOPFPAWWLAC-UHFFFAOYSA-N 1 2 334.269 3.427 20 5 EGBDLO COc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000354092880 457056478 /nfs/dbraw/zinc/05/64/78/457056478.db2.gz OWCMGBDJFAEPLY-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000363110807 457226530 /nfs/dbraw/zinc/22/65/30/457226530.db2.gz LBFYAOKOZHEQFN-UHFFFAOYSA-N 1 2 332.791 3.271 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000363110807 457226533 /nfs/dbraw/zinc/22/65/33/457226533.db2.gz LBFYAOKOZHEQFN-UHFFFAOYSA-N 1 2 332.791 3.271 20 5 EGBDLO O=C(NCCCCNc1cccc[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347235153 457303796 /nfs/dbraw/zinc/30/37/96/457303796.db2.gz PMHYMUQUIONHAO-UHFFFAOYSA-N 1 2 347.350 3.143 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000361040961 457535289 /nfs/dbraw/zinc/53/52/89/457535289.db2.gz BKCMFEKBNOQLNM-UHFFFAOYSA-N 1 2 326.360 3.122 20 5 EGBDLO Cc1ccc2c(c1)CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000361331876 457696400 /nfs/dbraw/zinc/69/64/00/457696400.db2.gz PXEVDQLMKIJXED-UHFFFAOYSA-N 1 2 348.362 3.245 20 5 EGBDLO Cc1csc(NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000371188843 457820969 /nfs/dbraw/zinc/82/09/69/457820969.db2.gz OHVOGWGQINRIDB-UHFFFAOYSA-N 1 2 338.458 3.498 20 5 EGBDLO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446727635 458218126 /nfs/dbraw/zinc/21/81/26/458218126.db2.gz XBROURJAJGCLII-UHFFFAOYSA-N 1 2 347.459 3.094 20 5 EGBDLO CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446727635 458218132 /nfs/dbraw/zinc/21/81/32/458218132.db2.gz XBROURJAJGCLII-UHFFFAOYSA-N 1 2 347.459 3.094 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429159122 458284594 /nfs/dbraw/zinc/28/45/94/458284594.db2.gz FEBAQJBXNGTEDC-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429159122 458284600 /nfs/dbraw/zinc/28/46/00/458284600.db2.gz FEBAQJBXNGTEDC-CYBMUJFWSA-N 1 2 328.368 3.387 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372993765 458369898 /nfs/dbraw/zinc/36/98/98/458369898.db2.gz WEDIEWSEGRGXEK-UHFFFAOYSA-N 1 2 334.807 3.413 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nncn1C(C)C ZINC000430187207 458417363 /nfs/dbraw/zinc/41/73/63/458417363.db2.gz BRDDAUYXEYOKMK-RIYZIHGNSA-N 1 2 329.404 3.303 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nncn1C(C)C ZINC000430187207 458417366 /nfs/dbraw/zinc/41/73/66/458417366.db2.gz BRDDAUYXEYOKMK-RIYZIHGNSA-N 1 2 329.404 3.303 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459585746 458421150 /nfs/dbraw/zinc/42/11/50/458421150.db2.gz VGJYREKMWPRZTG-INIZCTEOSA-N 1 2 326.400 3.446 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459585746 458421155 /nfs/dbraw/zinc/42/11/55/458421155.db2.gz VGJYREKMWPRZTG-INIZCTEOSA-N 1 2 326.400 3.446 20 5 EGBDLO O=C1[C@@H]([N@@H+]2CC[C@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437566014 458467507 /nfs/dbraw/zinc/46/75/07/458467507.db2.gz GYKROUGHTOKQLJ-ROUUACIJSA-N 1 2 337.379 3.147 20 5 EGBDLO O=C1[C@@H]([N@H+]2CC[C@H]2c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000437566014 458467512 /nfs/dbraw/zinc/46/75/12/458467512.db2.gz GYKROUGHTOKQLJ-ROUUACIJSA-N 1 2 337.379 3.147 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437828781 458498709 /nfs/dbraw/zinc/49/87/09/458498709.db2.gz LXRXCOLXNWVONX-INIZCTEOSA-N 1 2 339.395 3.159 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437828781 458498715 /nfs/dbraw/zinc/49/87/15/458498715.db2.gz LXRXCOLXNWVONX-INIZCTEOSA-N 1 2 339.395 3.159 20 5 EGBDLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000377938001 458577333 /nfs/dbraw/zinc/57/73/33/458577333.db2.gz ATNYNWVNZRWELC-TZMCWYRMSA-N 1 2 332.404 3.457 20 5 EGBDLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000377938001 458577339 /nfs/dbraw/zinc/57/73/39/458577339.db2.gz ATNYNWVNZRWELC-TZMCWYRMSA-N 1 2 332.404 3.457 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373774723 458599158 /nfs/dbraw/zinc/59/91/58/458599158.db2.gz JACCFMYFOWEQKG-UHFFFAOYSA-N 1 2 344.415 3.158 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000471184614 458682759 /nfs/dbraw/zinc/68/27/59/458682759.db2.gz BDEBOZXFFIKWKU-QGZVFWFLSA-N 1 2 325.368 3.289 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000471184614 458682762 /nfs/dbraw/zinc/68/27/62/458682762.db2.gz BDEBOZXFFIKWKU-QGZVFWFLSA-N 1 2 325.368 3.289 20 5 EGBDLO O=C(C[NH+]1CCC(C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590008716 459066798 /nfs/dbraw/zinc/06/67/98/459066798.db2.gz WHHNZRPEQAZIBJ-UHFFFAOYSA-N 1 2 337.807 3.309 20 5 EGBDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000522069574 459210411 /nfs/dbraw/zinc/21/04/11/459210411.db2.gz XXGIUJDXYFSAFJ-UHFFFAOYSA-N 1 2 342.395 3.203 20 5 EGBDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000522069574 459210414 /nfs/dbraw/zinc/21/04/14/459210414.db2.gz XXGIUJDXYFSAFJ-UHFFFAOYSA-N 1 2 342.395 3.203 20 5 EGBDLO Cc1noc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000595377718 459286822 /nfs/dbraw/zinc/28/68/22/459286822.db2.gz SSELGNVOPWZSGB-UHFFFAOYSA-N 1 2 330.388 3.276 20 5 EGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474739 459315183 /nfs/dbraw/zinc/31/51/83/459315183.db2.gz DQCRUBRQARFBOD-CVEARBPZSA-N 1 2 342.374 3.288 20 5 EGBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474739 459315189 /nfs/dbraw/zinc/31/51/89/459315189.db2.gz DQCRUBRQARFBOD-CVEARBPZSA-N 1 2 342.374 3.288 20 5 EGBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000569698922 459496801 /nfs/dbraw/zinc/49/68/01/459496801.db2.gz YCXSPDHSTGLHFG-SECBINFHSA-N 1 2 342.277 3.400 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000527302905 459624780 /nfs/dbraw/zinc/62/47/80/459624780.db2.gz WYQULUSTCZXFLB-DWCFMXGVSA-N 1 2 334.416 3.124 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000527302905 459624784 /nfs/dbraw/zinc/62/47/84/459624784.db2.gz WYQULUSTCZXFLB-DWCFMXGVSA-N 1 2 334.416 3.124 20 5 EGBDLO CN(CCC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592684848 459665444 /nfs/dbraw/zinc/66/54/44/459665444.db2.gz SPULCZDSSUWFEJ-UHFFFAOYSA-N 1 2 330.388 3.289 20 5 EGBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[nH+]1 ZINC000566363921 459852122 /nfs/dbraw/zinc/85/21/22/459852122.db2.gz WKFAKBKAVKLWGW-UHFFFAOYSA-N 1 2 330.388 3.415 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)s1 ZINC000609138422 459908832 /nfs/dbraw/zinc/90/88/32/459908832.db2.gz QTXHRPANCRVKBK-CQSZACIVSA-N 1 2 333.413 3.142 20 5 EGBDLO CN(C(=O)C[N@@H+]1CC[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610505815 460168012 /nfs/dbraw/zinc/16/80/12/460168012.db2.gz XRCUZFFKWHHQGP-QGZVFWFLSA-N 1 2 343.358 3.144 20 5 EGBDLO CN(C(=O)C[N@H+]1CC[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610505815 460168019 /nfs/dbraw/zinc/16/80/19/460168019.db2.gz XRCUZFFKWHHQGP-QGZVFWFLSA-N 1 2 343.358 3.144 20 5 EGBDLO Cc1cc(N[C@@H]2CCC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610786040 460236954 /nfs/dbraw/zinc/23/69/54/460236954.db2.gz QJBQGGPHWWASCU-GFCCVEGCSA-N 1 2 334.326 3.382 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000610787889 460236990 /nfs/dbraw/zinc/23/69/90/460236990.db2.gz GPTSNSGFKRRBIH-KRWDZBQOSA-N 1 2 338.367 3.028 20 5 EGBDLO COC[C@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683313 460309319 /nfs/dbraw/zinc/30/93/19/460309319.db2.gz QZECFYFTTIKIPS-BLLLJJGKSA-N 1 2 345.399 3.416 20 5 EGBDLO COC[C@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683313 460309321 /nfs/dbraw/zinc/30/93/21/460309321.db2.gz QZECFYFTTIKIPS-BLLLJJGKSA-N 1 2 345.399 3.416 20 5 EGBDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000611409124 460358354 /nfs/dbraw/zinc/35/83/54/460358354.db2.gz RAEHKWSKZCKRFW-VIFPVBQESA-N 1 2 343.343 3.100 20 5 EGBDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000604532752 460442176 /nfs/dbraw/zinc/44/21/76/460442176.db2.gz CBJONZVCUORQDE-BXUZGUMPSA-N 1 2 344.367 3.372 20 5 EGBDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000616133051 460479657 /nfs/dbraw/zinc/47/96/57/460479657.db2.gz VMDGNBIPLWKTKM-AWEZNQCLSA-N 1 2 329.375 3.445 20 5 EGBDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000616133051 460479662 /nfs/dbraw/zinc/47/96/62/460479662.db2.gz VMDGNBIPLWKTKM-AWEZNQCLSA-N 1 2 329.375 3.445 20 5 EGBDLO CC[C@]1(O)CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000601234864 460759594 /nfs/dbraw/zinc/75/95/94/460759594.db2.gz YLAJGTDAWMFOJR-SFHVURJKSA-N 1 2 342.399 3.102 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cs1 ZINC000191680804 534879761 /nfs/dbraw/zinc/87/97/61/534879761.db2.gz AKUQWDSULNUKDF-UHFFFAOYSA-N 1 2 337.376 3.234 20 5 EGBDLO C[NH+](C)Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000357964041 536016653 /nfs/dbraw/zinc/01/66/53/536016653.db2.gz IVCVKPKMSNSIED-UHFFFAOYSA-N 1 2 349.774 3.268 20 5 EGBDLO CC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032245240 546537058 /nfs/dbraw/zinc/53/70/58/546537058.db2.gz ZJJROWWGMKMXRM-ZDUSSCGKSA-N 1 2 328.372 3.043 20 5 EGBDLO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000738052201 574577581 /nfs/dbraw/zinc/57/75/81/574577581.db2.gz CQXHFNKUQSBITN-ZYHUDNBSSA-N 1 2 345.241 3.412 20 5 EGBDLO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000738052201 574577582 /nfs/dbraw/zinc/57/75/82/574577582.db2.gz CQXHFNKUQSBITN-ZYHUDNBSSA-N 1 2 345.241 3.412 20 5 EGBDLO Cc1cccn2cc(COC(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH+]c12 ZINC000731528795 575079471 /nfs/dbraw/zinc/07/94/71/575079471.db2.gz GWXMSEYXNJHHDS-UHFFFAOYSA-N 1 2 329.287 3.047 20 5 EGBDLO CCCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032160873 1291376518 /nfs/dbraw/zinc/37/65/18/1291376518.db2.gz CSLZIMGSHHFYKS-CYBMUJFWSA-N 1 2 330.388 3.479 20 5 EGBDLO CS[C@H](C)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000835660398 1293341472 /nfs/dbraw/zinc/34/14/72/1293341472.db2.gz FBBCEUWSULYUNK-LLVKDONJSA-N 1 2 335.385 3.079 20 5 EGBDLO Cc1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)s1 ZINC000172901260 1294448283 /nfs/dbraw/zinc/44/82/83/1294448283.db2.gz PJOXIYFSZLZECR-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO Cc1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)s1 ZINC000172901260 1294448285 /nfs/dbraw/zinc/44/82/85/1294448285.db2.gz PJOXIYFSZLZECR-UHFFFAOYSA-N 1 2 343.412 3.313 20 5 EGBDLO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000173419492 1294461773 /nfs/dbraw/zinc/46/17/73/1294461773.db2.gz OLEMXQSFLXVCAK-UHFFFAOYSA-N 1 2 328.294 3.176 20 5 EGBDLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000870125558 1295684711 /nfs/dbraw/zinc/68/47/11/1295684711.db2.gz LBYCEYUGQWDNNF-ZDUSSCGKSA-N 1 2 345.424 3.175 20 5 EGBDLO CSc1ccc(C(=O)OCc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000755899495 1300412223 /nfs/dbraw/zinc/41/22/23/1300412223.db2.gz UQSPEHNSOUOHKI-UHFFFAOYSA-N 1 2 347.396 3.135 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880234411 1300997194 /nfs/dbraw/zinc/99/71/94/1300997194.db2.gz RMQUUGADJLIIMV-QWRGUYRKSA-N 1 2 343.786 3.257 20 5 EGBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](CF)C1 ZINC000880234411 1300997197 /nfs/dbraw/zinc/99/71/97/1300997197.db2.gz RMQUUGADJLIIMV-QWRGUYRKSA-N 1 2 343.786 3.257 20 5 EGBDLO CCCC(=O)NC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768541592 1302930611 /nfs/dbraw/zinc/93/06/11/1302930611.db2.gz IZXURKYYIGLGEM-UHFFFAOYSA-N 1 2 339.823 3.129 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000769245031 1303079939 /nfs/dbraw/zinc/07/99/39/1303079939.db2.gz PWCNECTXVCNTLV-RBUKOAKNSA-N 1 2 342.395 3.389 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000769245031 1303079941 /nfs/dbraw/zinc/07/99/41/1303079941.db2.gz PWCNECTXVCNTLV-RBUKOAKNSA-N 1 2 342.395 3.389 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000770010113 1303206918 /nfs/dbraw/zinc/20/69/18/1303206918.db2.gz YAECXSARQZJEOX-LBPRGKRZSA-N 1 2 349.778 3.314 20 5 EGBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCCNc1cccc[nH+]1 ZINC000786791011 1305630375 /nfs/dbraw/zinc/63/03/75/1305630375.db2.gz VGQOBOJBOJUXDR-UHFFFAOYSA-N 1 2 328.372 3.497 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1F ZINC000790442271 1306327592 /nfs/dbraw/zinc/32/75/92/1306327592.db2.gz FQWFGKMBZIWCRZ-UHFFFAOYSA-N 1 2 343.358 3.135 20 5 EGBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c1F ZINC000790442271 1306327601 /nfs/dbraw/zinc/32/76/01/1306327601.db2.gz FQWFGKMBZIWCRZ-UHFFFAOYSA-N 1 2 343.358 3.135 20 5 EGBDLO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000895969261 1309619264 /nfs/dbraw/zinc/61/92/64/1309619264.db2.gz JNLVKPGDPOOBSX-INIZCTEOSA-N 1 2 334.397 3.128 20 5 EGBDLO CO[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000895969261 1309619267 /nfs/dbraw/zinc/61/92/67/1309619267.db2.gz JNLVKPGDPOOBSX-INIZCTEOSA-N 1 2 334.397 3.128 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C[C@H]1c1ccccc1 ZINC000795644329 1309797474 /nfs/dbraw/zinc/79/74/74/1309797474.db2.gz GPDIANVFCAYTNZ-SFHVURJKSA-N 1 2 339.395 3.000 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)C[C@H]1c1ccccc1 ZINC000795644329 1309797483 /nfs/dbraw/zinc/79/74/83/1309797483.db2.gz GPDIANVFCAYTNZ-SFHVURJKSA-N 1 2 339.395 3.000 20 5 EGBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801547156 1310962796 /nfs/dbraw/zinc/96/27/96/1310962796.db2.gz IFNMAQAOLKNOTO-ZDUSSCGKSA-N 1 2 336.285 3.277 20 5 EGBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801547156 1310962802 /nfs/dbraw/zinc/96/28/02/1310962802.db2.gz IFNMAQAOLKNOTO-ZDUSSCGKSA-N 1 2 336.285 3.277 20 5 EGBDLO O=C(OC[C@H]1CCCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000802920361 1317056844 /nfs/dbraw/zinc/05/68/44/1317056844.db2.gz LAFHQHFDBARLNM-CYBMUJFWSA-N 1 2 347.396 3.223 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c1C ZINC000858926312 1328892544 /nfs/dbraw/zinc/89/25/44/1328892544.db2.gz FCDDCBHTVGOATP-UHFFFAOYSA-N 1 2 349.774 3.199 20 5 EGBDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839527516 1320933058 /nfs/dbraw/zinc/93/30/58/1320933058.db2.gz LBPJHYAIIFAFQA-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839527516 1320933063 /nfs/dbraw/zinc/93/30/63/1320933063.db2.gz LBPJHYAIIFAFQA-NSHDSACASA-N 1 2 348.790 3.275 20 5 EGBDLO CC(C)(C)C[C@@H]1CC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000840149174 1321039764 /nfs/dbraw/zinc/03/97/64/1321039764.db2.gz GAQLLKBCGPPSLV-JTQLQIEISA-N 1 2 345.241 3.269 20 5 EGBDLO CC(C)(C)C[C@@H]1CC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000840149174 1321039767 /nfs/dbraw/zinc/03/97/67/1321039767.db2.gz GAQLLKBCGPPSLV-JTQLQIEISA-N 1 2 345.241 3.269 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000852701254 1323227346 /nfs/dbraw/zinc/22/73/46/1323227346.db2.gz AUEVAOWNWHQWKE-OTYXRUKQSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000852701254 1323227356 /nfs/dbraw/zinc/22/73/56/1323227356.db2.gz AUEVAOWNWHQWKE-OTYXRUKQSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000860093825 1329143988 /nfs/dbraw/zinc/14/39/88/1329143988.db2.gz ILZILUHIWLSALC-NSHDSACASA-N 1 2 341.383 3.079 20 5 EGBDLO C[C@@H](C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000860093825 1329143997 /nfs/dbraw/zinc/14/39/97/1329143997.db2.gz ILZILUHIWLSALC-NSHDSACASA-N 1 2 341.383 3.079 20 5 EGBDLO Cc1cccc2c1C[N@H+](Cn1cc([N+](=O)[O-])c(-c3ccccn3)n1)CC2 ZINC000853508931 1325109266 /nfs/dbraw/zinc/10/92/66/1325109266.db2.gz NMUFELTYSVRDOW-UHFFFAOYSA-N 1 2 349.394 3.178 20 5 EGBDLO Cc1cccc2c1C[N@@H+](Cn1cc([N+](=O)[O-])c(-c3ccccn3)n1)CC2 ZINC000853508931 1325109271 /nfs/dbraw/zinc/10/92/71/1325109271.db2.gz NMUFELTYSVRDOW-UHFFFAOYSA-N 1 2 349.394 3.178 20 5 EGBDLO C[N@@H+](CC1=CCCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000853561371 1325123284 /nfs/dbraw/zinc/12/32/84/1325123284.db2.gz ANRJUTINCQNYPM-UHFFFAOYSA-N 1 2 335.385 3.108 20 5 EGBDLO C[N@H+](CC1=CCCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000853561371 1325123295 /nfs/dbraw/zinc/12/32/95/1325123295.db2.gz ANRJUTINCQNYPM-UHFFFAOYSA-N 1 2 335.385 3.108 20 5 EGBDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029450489 1340992894 /nfs/dbraw/zinc/99/28/94/1340992894.db2.gz MHWLESCQYWIXGW-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029450489 1340992895 /nfs/dbraw/zinc/99/28/95/1340992895.db2.gz MHWLESCQYWIXGW-CALCHBBNSA-N 1 2 345.443 3.206 20 5 EGBDLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC001123454179 1372475112 /nfs/dbraw/zinc/47/51/12/1372475112.db2.gz WJDAJYZGSRJFEB-XJKSGUPXSA-N 1 2 343.387 3.215 20 5 EGBDLO Cc1c(Nc2[nH+]c3ccccc3n2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211290814 1372522125 /nfs/dbraw/zinc/52/21/25/1372522125.db2.gz MLULVCJUWYWSNV-UHFFFAOYSA-N 1 2 327.300 3.442 20 5 EGBDLO Cc1[nH]c2ccc(-n3c4ccccc4nc4cc(N)c(=O)cc3-4)cc2[nH+]1 ZINC001213076672 1372835157 /nfs/dbraw/zinc/83/51/57/1372835157.db2.gz XMFLDJDYANVQMG-UHFFFAOYSA-N 1 2 341.374 3.257 20 5 EGBDLO C=C/C(C)=C/CC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001228702066 1375645255 /nfs/dbraw/zinc/64/52/55/1375645255.db2.gz JKEQHXRSNXHYNN-YIXHJXPBSA-N 1 2 349.456 3.259 20 5 EGBDLO Cc1cc(Br)cc([N+](=O)[O-])c1OC1C[NH+](C(C)C)C1 ZINC001230940305 1376185007 /nfs/dbraw/zinc/18/50/07/1376185007.db2.gz XIIRFDUTCCNPFH-UHFFFAOYSA-N 1 2 329.194 3.137 20 5 EGBDLO O=[N+]([O-])c1cccc2ccc(OC3C[NH+](Cc4ccccc4)C3)nc21 ZINC001233843754 1376725128 /nfs/dbraw/zinc/72/51/28/1376725128.db2.gz ZBOCGCHCCHUBGU-UHFFFAOYSA-N 1 2 335.363 3.406 20 5 EGBDLO O=[N+]([O-])c1ccc2ncnc(NCc3c[nH+]cn3CC3CCC3)c2c1 ZINC001161531712 1382432589 /nfs/dbraw/zinc/43/25/89/1382432589.db2.gz UDNFAPPICIQBCJ-UHFFFAOYSA-N 1 2 338.371 3.147 20 5 EGBDLO CN(C)c1cc(CSCCOc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001338057358 1389530541 /nfs/dbraw/zinc/53/05/41/1389530541.db2.gz NTJNOFTXYXQRDB-UHFFFAOYSA-N 1 2 333.413 3.368 20 5 EGBDLO CCc1nc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cs1 ZINC000171786684 529746751 /nfs/dbraw/zinc/74/67/51/529746751.db2.gz BRRNECNFQQWCKQ-JTQLQIEISA-N 1 2 349.412 3.331 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C)CC1 ZINC000003538732 210050746 /nfs/dbraw/zinc/05/07/46/210050746.db2.gz FCNGVAJUOXXVSX-LLVKDONJSA-N 1 2 325.796 3.307 20 5 EGBDLO Cn1cc([C@H]2CSCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000191737940 239273516 /nfs/dbraw/zinc/27/35/16/239273516.db2.gz NXYMKWJDPHBQBJ-UKINESCASA-N 1 2 344.440 3.132 20 5 EGBDLO Cn1cc([C@H]2CSCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000191737940 239273521 /nfs/dbraw/zinc/27/35/21/239273521.db2.gz NXYMKWJDPHBQBJ-UKINESCASA-N 1 2 344.440 3.132 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccsc2C1 ZINC000132551464 223341740 /nfs/dbraw/zinc/34/17/40/223341740.db2.gz XXPHPVGKGDNBLD-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccsc2C1 ZINC000132551464 223341742 /nfs/dbraw/zinc/34/17/42/223341742.db2.gz XXPHPVGKGDNBLD-LLVKDONJSA-N 1 2 331.397 3.042 20 5 EGBDLO CC[C@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000111275152 220131406 /nfs/dbraw/zinc/13/14/06/220131406.db2.gz IAVPIUNDQXBGIB-HUBLWGQQSA-N 1 2 346.387 3.205 20 5 EGBDLO CC[C@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000111275152 220131407 /nfs/dbraw/zinc/13/14/07/220131407.db2.gz IAVPIUNDQXBGIB-HUBLWGQQSA-N 1 2 346.387 3.205 20 5 EGBDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000111376351 220148021 /nfs/dbraw/zinc/14/80/21/220148021.db2.gz VPAFBWDMOXVKQD-WDEREUQCSA-N 1 2 348.428 3.292 20 5 EGBDLO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000341215749 141139772 /nfs/dbraw/zinc/13/97/72/141139772.db2.gz UXSOPBAQWIQSJW-JTQLQIEISA-N 1 2 335.310 3.162 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000347893719 141212067 /nfs/dbraw/zinc/21/20/67/141212067.db2.gz WOQWWPSMUIWQNB-UHFFFAOYSA-N 1 2 337.383 3.179 20 5 EGBDLO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172985397 144032835 /nfs/dbraw/zinc/03/28/35/144032835.db2.gz KBKOSGWHBOVMLO-VXGBXAGGSA-N 1 2 339.355 3.452 20 5 EGBDLO Cc1ccc(CS(=O)(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000185230249 144108323 /nfs/dbraw/zinc/10/83/23/144108323.db2.gz KZZHXRAQHAHMOD-ZDUSSCGKSA-N 1 2 334.397 3.283 20 5 EGBDLO C[C@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000185701040 144117542 /nfs/dbraw/zinc/11/75/42/144117542.db2.gz RQQFHBIVSKTIMD-XHDPSFHLSA-N 1 2 346.362 3.314 20 5 EGBDLO CC(C)[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000351093034 144255411 /nfs/dbraw/zinc/25/54/11/144255411.db2.gz AISFISSOETYZTE-INIZCTEOSA-N 1 2 331.372 3.107 20 5 EGBDLO CC(C)[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000351093034 144255413 /nfs/dbraw/zinc/25/54/13/144255413.db2.gz AISFISSOETYZTE-INIZCTEOSA-N 1 2 331.372 3.107 20 5 EGBDLO CCOC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000351822128 144311448 /nfs/dbraw/zinc/31/14/48/144311448.db2.gz IQVXSVKSTAACSF-UHFFFAOYSA-N 1 2 344.367 3.382 20 5 EGBDLO CCOC(=O)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000351822128 144311449 /nfs/dbraw/zinc/31/14/49/144311449.db2.gz IQVXSVKSTAACSF-UHFFFAOYSA-N 1 2 344.367 3.382 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000361605173 144336656 /nfs/dbraw/zinc/33/66/56/144336656.db2.gz VWPZLWBVVLCYOL-CYBMUJFWSA-N 1 2 325.368 3.246 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000361605173 144336658 /nfs/dbraw/zinc/33/66/58/144336658.db2.gz VWPZLWBVVLCYOL-CYBMUJFWSA-N 1 2 325.368 3.246 20 5 EGBDLO C[C@@H]1C[NH+](C(C)(C)CNc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000341423365 155284380 /nfs/dbraw/zinc/28/43/80/155284380.db2.gz VLYDQOHGMHXINO-VXGBXAGGSA-N 1 2 325.384 3.034 20 5 EGBDLO COc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC000093338317 162003665 /nfs/dbraw/zinc/00/36/65/162003665.db2.gz WIYANGKXAHZMMM-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC000093338317 162003669 /nfs/dbraw/zinc/00/36/69/162003669.db2.gz WIYANGKXAHZMMM-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[nH]1 ZINC000112532181 162181246 /nfs/dbraw/zinc/18/12/46/162181246.db2.gz IOHKIRJABVPEGX-NWDGAFQWSA-N 1 2 338.367 3.243 20 5 EGBDLO CC(C)[N@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125697625 162284771 /nfs/dbraw/zinc/28/47/71/162284771.db2.gz GVVDSCCGUDOBHQ-UHFFFAOYSA-N 1 2 343.383 3.267 20 5 EGBDLO CC(C)[N@@H+](Cc1cccnc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000125697625 162284775 /nfs/dbraw/zinc/28/47/75/162284775.db2.gz GVVDSCCGUDOBHQ-UHFFFAOYSA-N 1 2 343.383 3.267 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000337198826 163160523 /nfs/dbraw/zinc/16/05/23/163160523.db2.gz ZZDBMVUPUCPMLN-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccccc1-n1cc[nH+]c1 ZINC000352357520 165361305 /nfs/dbraw/zinc/36/13/05/165361305.db2.gz RQEKSCLWOFYFFG-UHFFFAOYSA-N 1 2 345.362 3.363 20 5 EGBDLO CC[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000355585004 166251056 /nfs/dbraw/zinc/25/10/56/166251056.db2.gz LEEYFPKBPOTARS-HNNXBMFYSA-N 1 2 343.383 3.150 20 5 EGBDLO CC[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000355585004 166251057 /nfs/dbraw/zinc/25/10/57/166251057.db2.gz LEEYFPKBPOTARS-HNNXBMFYSA-N 1 2 343.383 3.150 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000367158548 168186441 /nfs/dbraw/zinc/18/64/41/168186441.db2.gz SUFHNZGURONQTL-UHFFFAOYSA-N 1 2 341.367 3.224 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000367158548 168186442 /nfs/dbraw/zinc/18/64/42/168186442.db2.gz SUFHNZGURONQTL-UHFFFAOYSA-N 1 2 341.367 3.224 20 5 EGBDLO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000342877380 304479652 /nfs/dbraw/zinc/47/96/52/304479652.db2.gz RUJUSUYMICEDSR-CQSZACIVSA-N 1 2 339.355 3.167 20 5 EGBDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000179551606 265381794 /nfs/dbraw/zinc/38/17/94/265381794.db2.gz WNJDNNQFIDDSTD-UHFFFAOYSA-N 1 2 342.395 3.479 20 5 EGBDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000179551606 265381798 /nfs/dbraw/zinc/38/17/98/265381798.db2.gz WNJDNNQFIDDSTD-UHFFFAOYSA-N 1 2 342.395 3.479 20 5 EGBDLO Cc1cccc(N2CCC[N@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000275501313 267370178 /nfs/dbraw/zinc/37/01/78/267370178.db2.gz SPQMXNKBFYAQQA-UHFFFAOYSA-N 1 2 332.429 3.072 20 5 EGBDLO Cc1cccc(N2CCC[N@@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000275501313 267370182 /nfs/dbraw/zinc/37/01/82/267370182.db2.gz SPQMXNKBFYAQQA-UHFFFAOYSA-N 1 2 332.429 3.072 20 5 EGBDLO COc1cc(C[N@@H+]2Cc3ccc(C)cc3C2)c([N+](=O)[O-])cc1OC ZINC000361110305 274094127 /nfs/dbraw/zinc/09/41/27/274094127.db2.gz HAGZAPXBDKNDAC-UHFFFAOYSA-N 1 2 328.368 3.436 20 5 EGBDLO COc1cc(C[N@H+]2Cc3ccc(C)cc3C2)c([N+](=O)[O-])cc1OC ZINC000361110305 274094130 /nfs/dbraw/zinc/09/41/30/274094130.db2.gz HAGZAPXBDKNDAC-UHFFFAOYSA-N 1 2 328.368 3.436 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007039323 275117534 /nfs/dbraw/zinc/11/75/34/275117534.db2.gz OGLOCNQYYXULFS-QGZVFWFLSA-N 1 2 342.399 3.017 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007039323 275117535 /nfs/dbraw/zinc/11/75/35/275117535.db2.gz OGLOCNQYYXULFS-QGZVFWFLSA-N 1 2 342.399 3.017 20 5 EGBDLO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2C1 ZINC000184971087 275214207 /nfs/dbraw/zinc/21/42/07/275214207.db2.gz QESZFUSXWWSFLH-UHFFFAOYSA-N 1 2 341.367 3.278 20 5 EGBDLO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2C1 ZINC000184971087 275214209 /nfs/dbraw/zinc/21/42/09/275214209.db2.gz QESZFUSXWWSFLH-UHFFFAOYSA-N 1 2 341.367 3.278 20 5 EGBDLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000278820996 275277886 /nfs/dbraw/zinc/27/78/86/275277886.db2.gz SNKFVJZTQHHZMB-SECBINFHSA-N 1 2 338.747 3.479 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279770729 275358116 /nfs/dbraw/zinc/35/81/16/275358116.db2.gz NAWMKLGINJDNSI-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279770729 275358117 /nfs/dbraw/zinc/35/81/17/275358117.db2.gz NAWMKLGINJDNSI-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O2 ZINC000279787410 275359443 /nfs/dbraw/zinc/35/94/43/275359443.db2.gz OAQNNFJSTUZWGK-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O2 ZINC000279787410 275359444 /nfs/dbraw/zinc/35/94/44/275359444.db2.gz OAQNNFJSTUZWGK-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H](O)c1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000289140271 276296084 /nfs/dbraw/zinc/29/60/84/276296084.db2.gz PJUOTNCXHROUMB-NSHDSACASA-N 1 2 333.413 3.269 20 5 EGBDLO C[C@H](O)c1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000289140271 276296086 /nfs/dbraw/zinc/29/60/86/276296086.db2.gz PJUOTNCXHROUMB-NSHDSACASA-N 1 2 333.413 3.269 20 5 EGBDLO C[C@H](CO)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](C)c1ccccc1 ZINC000339201336 279357769 /nfs/dbraw/zinc/35/77/69/279357769.db2.gz QYZLHSLEBHUXFK-HUUCEWRRSA-N 1 2 344.411 3.287 20 5 EGBDLO C[C@H](CO)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](C)c1ccccc1 ZINC000339201336 279357771 /nfs/dbraw/zinc/35/77/71/279357771.db2.gz QYZLHSLEBHUXFK-HUUCEWRRSA-N 1 2 344.411 3.287 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000174294320 280178174 /nfs/dbraw/zinc/17/81/74/280178174.db2.gz FZOMRJMLJJVUCP-HIFRSBDPSA-N 1 2 340.383 3.185 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338998197 288216612 /nfs/dbraw/zinc/21/66/12/288216612.db2.gz YAHYHZSSFJQLOA-OAHLLOKOSA-N 1 2 341.411 3.007 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338998197 288216616 /nfs/dbraw/zinc/21/66/16/288216616.db2.gz YAHYHZSSFJQLOA-OAHLLOKOSA-N 1 2 341.411 3.007 20 5 EGBDLO Cc1cnc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000340779972 281598688 /nfs/dbraw/zinc/59/86/88/281598688.db2.gz NODDVIJLQQOFNG-UHFFFAOYSA-N 1 2 329.404 3.192 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCCC[C@H]1F ZINC000413529716 309036133 /nfs/dbraw/zinc/03/61/33/309036133.db2.gz HMJZISOEUIPDJC-HUUCEWRRSA-N 1 2 337.395 3.120 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])cc1OC(F)F ZINC000293007419 308089419 /nfs/dbraw/zinc/08/94/19/308089419.db2.gz JMNAFDHMZRDJRO-SNVBAGLBSA-N 1 2 334.294 3.139 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])cc1OC(F)F ZINC000293007419 308089420 /nfs/dbraw/zinc/08/94/20/308089420.db2.gz JMNAFDHMZRDJRO-SNVBAGLBSA-N 1 2 334.294 3.139 20 5 EGBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000293065423 308095662 /nfs/dbraw/zinc/09/56/62/308095662.db2.gz NUXHHTGNNHCHBO-UHFFFAOYSA-N 1 2 346.387 3.060 20 5 EGBDLO Cc1ccnc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000301257434 308693796 /nfs/dbraw/zinc/69/37/96/308693796.db2.gz DTEIFJMVKLBNJX-ZDUSSCGKSA-N 1 2 336.342 3.291 20 5 EGBDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000301645592 308708791 /nfs/dbraw/zinc/70/87/91/308708791.db2.gz NRGBYWBNFGXTQQ-UHFFFAOYSA-N 1 2 325.372 3.459 20 5 EGBDLO Cc1ccc(CCNc2ncc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000301699350 308711429 /nfs/dbraw/zinc/71/14/29/308711429.db2.gz ROHUZTSLFLOHLN-UHFFFAOYSA-N 1 2 337.177 3.110 20 5 EGBDLO CC(C)c1nc(NCCn2cc([N+](=O)[O-])cn2)cc(C(C)(C)C)[nH+]1 ZINC000302831160 308747376 /nfs/dbraw/zinc/74/73/76/308747376.db2.gz KZLDDTYNGCRXIR-UHFFFAOYSA-N 1 2 332.408 3.114 20 5 EGBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000332045295 308824611 /nfs/dbraw/zinc/82/46/11/308824611.db2.gz LPRLXYADNUWAEC-ZDUSSCGKSA-N 1 2 333.323 3.216 20 5 EGBDLO Cc1cc(NCCc2cn(C)c[nH+]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000413381021 309029769 /nfs/dbraw/zinc/02/97/69/309029769.db2.gz JSGJLZBKHRIOAA-UHFFFAOYSA-N 1 2 328.294 3.310 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420955888 309304081 /nfs/dbraw/zinc/30/40/81/309304081.db2.gz XELFZZAAPJEUFB-NSHDSACASA-N 1 2 345.321 3.198 20 5 EGBDLO O=C(C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420955888 309304082 /nfs/dbraw/zinc/30/40/82/309304082.db2.gz XELFZZAAPJEUFB-NSHDSACASA-N 1 2 345.321 3.198 20 5 EGBDLO C[C@H](C1CCC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450371555 310118646 /nfs/dbraw/zinc/11/86/46/310118646.db2.gz IKNVVVUZFXSYBO-GFCCVEGCSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNc1nccc3cc([N+](=O)[O-])ccc31)CCC2 ZINC000450409997 310120856 /nfs/dbraw/zinc/12/08/56/310120856.db2.gz VFEWOARAOTVEIS-AWEZNQCLSA-N 1 2 337.383 3.059 20 5 EGBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC(C)(C)C1 ZINC000450567762 310130534 /nfs/dbraw/zinc/13/05/34/310130534.db2.gz WFDNBXHRTPDXKZ-CYBMUJFWSA-N 1 2 342.399 3.289 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000450822371 310144232 /nfs/dbraw/zinc/14/42/32/310144232.db2.gz BBNLKCXEDYCCDX-NSHDSACASA-N 1 2 332.360 3.079 20 5 EGBDLO CCN(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451886853 310201829 /nfs/dbraw/zinc/20/18/29/310201829.db2.gz DZWCHYCZLDSNCX-UHFFFAOYSA-N 1 2 330.388 3.289 20 5 EGBDLO O=C(NCC1=CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452288608 310221687 /nfs/dbraw/zinc/22/16/87/310221687.db2.gz IEKLYPGYRUORBW-UHFFFAOYSA-N 1 2 326.356 3.011 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335638 310223858 /nfs/dbraw/zinc/22/38/58/310223858.db2.gz QXJVZDQEMRMAEH-CQSZACIVSA-N 1 2 342.399 3.335 20 5 EGBDLO CCC(C)(C)OCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000453408285 310275511 /nfs/dbraw/zinc/27/55/11/310275511.db2.gz NASJKXZSSSGYGO-MRXNPFEDSA-N 1 2 346.431 3.213 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000455254860 310352506 /nfs/dbraw/zinc/35/25/06/310352506.db2.gz XKEIAIQHYKGDMA-LBPRGKRZSA-N 1 2 331.376 3.311 20 5 EGBDLO CCc1cc(NC[C@H](OC)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467007388 310666192 /nfs/dbraw/zinc/66/61/92/310666192.db2.gz PLKPVZJZMJYBLI-INIZCTEOSA-N 1 2 344.415 3.119 20 5 EGBDLO Cc1[nH]c2ccc(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)cc2[nH+]1 ZINC000487892920 311041545 /nfs/dbraw/zinc/04/15/45/311041545.db2.gz YDKXNKFQWBFJOD-UHFFFAOYSA-N 1 2 334.335 3.143 20 5 EGBDLO Cc1[nH]c2cc(Cn3cc([N+](=O)[O-])c(=O)c4ccccc43)ccc2[nH+]1 ZINC000487892920 311041546 /nfs/dbraw/zinc/04/15/46/311041546.db2.gz YDKXNKFQWBFJOD-UHFFFAOYSA-N 1 2 334.335 3.143 20 5 EGBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCCCNc1cccc[nH+]1 ZINC000491507943 311182447 /nfs/dbraw/zinc/18/24/47/311182447.db2.gz WDXUVWXFXPHSKU-KTKRTIGZSA-N 1 2 340.383 3.012 20 5 EGBDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000492413644 311248024 /nfs/dbraw/zinc/24/80/24/311248024.db2.gz YENDTIKXQSLYGK-MEJMFZKBSA-N 1 2 328.372 3.010 20 5 EGBDLO Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000535035990 314016552 /nfs/dbraw/zinc/01/65/52/314016552.db2.gz KWVXNWOQNKGMJU-UHFFFAOYSA-N 1 2 339.273 3.300 20 5 EGBDLO Cc1sc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000537551738 314188257 /nfs/dbraw/zinc/18/82/57/314188257.db2.gz OXXMHQJPDFNLAL-UHFFFAOYSA-N 1 2 342.380 3.285 20 5 EGBDLO CCc1cc(N[C@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000537673945 314201997 /nfs/dbraw/zinc/20/19/97/314201997.db2.gz VVCVLVQSLSIDHS-WFASDCNBSA-N 1 2 342.399 3.016 20 5 EGBDLO Cc1cc(NC[C@@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000540027125 314358844 /nfs/dbraw/zinc/35/88/44/314358844.db2.gz DGLPBXZIQABQLF-UONOGXRCSA-N 1 2 342.399 3.009 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007854160 453125686 /nfs/dbraw/zinc/12/56/86/453125686.db2.gz MFQUOKXFLWUTFL-HNNXBMFYSA-N 1 2 342.399 3.017 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007854160 453125696 /nfs/dbraw/zinc/12/56/96/453125696.db2.gz MFQUOKXFLWUTFL-HNNXBMFYSA-N 1 2 342.399 3.017 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591655 453613921 /nfs/dbraw/zinc/61/39/21/453613921.db2.gz JKAVATAOJJFCEL-NSHDSACASA-N 1 2 345.321 3.116 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000016591655 453613923 /nfs/dbraw/zinc/61/39/23/453613923.db2.gz JKAVATAOJJFCEL-NSHDSACASA-N 1 2 345.321 3.116 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348444 453797475 /nfs/dbraw/zinc/79/74/75/453797475.db2.gz FACWCJUKPOLYBY-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348444 453797477 /nfs/dbraw/zinc/79/74/77/453797477.db2.gz FACWCJUKPOLYBY-NSHDSACASA-N 1 2 348.790 3.102 20 5 EGBDLO C[N@H+](CC(=O)NCCC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000052589673 453838174 /nfs/dbraw/zinc/83/81/74/453838174.db2.gz KGJHTNTXLHHDMQ-UHFFFAOYSA-N 1 2 333.432 3.113 20 5 EGBDLO C[N@@H+](CC(=O)NCCC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000052589673 453838177 /nfs/dbraw/zinc/83/81/77/453838177.db2.gz KGJHTNTXLHHDMQ-UHFFFAOYSA-N 1 2 333.432 3.113 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066845732 453879278 /nfs/dbraw/zinc/87/92/78/453879278.db2.gz NZODAJYTRVOKRA-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066845732 453879283 /nfs/dbraw/zinc/87/92/83/453879283.db2.gz NZODAJYTRVOKRA-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000081604679 453894968 /nfs/dbraw/zinc/89/49/68/453894968.db2.gz RSOVHQWEQSDEEP-OAHLLOKOSA-N 1 2 345.786 3.294 20 5 EGBDLO NC(=O)c1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000081604679 453894973 /nfs/dbraw/zinc/89/49/73/453894973.db2.gz RSOVHQWEQSDEEP-OAHLLOKOSA-N 1 2 345.786 3.294 20 5 EGBDLO Cc1cccn2cc(CC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000086625459 454053212 /nfs/dbraw/zinc/05/32/12/454053212.db2.gz TYGNJLRJAQOQMP-UHFFFAOYSA-N 1 2 338.367 3.349 20 5 EGBDLO O=[N+]([O-])c1ccc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc1 ZINC000057366520 454122171 /nfs/dbraw/zinc/12/21/71/454122171.db2.gz PHLZVSIVWHAVOL-GOSISDBHSA-N 1 2 345.374 3.219 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000046059180 454211983 /nfs/dbraw/zinc/21/19/83/454211983.db2.gz NJHJUALZJDYXRM-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000046059180 454211989 /nfs/dbraw/zinc/21/19/89/454211989.db2.gz NJHJUALZJDYXRM-GOSISDBHSA-N 1 2 346.358 3.186 20 5 EGBDLO Cc1cnc(N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000078627620 454288925 /nfs/dbraw/zinc/28/89/25/454288925.db2.gz IJTNJDYCRRTFAX-HNNXBMFYSA-N 1 2 341.346 3.372 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000091628927 454452222 /nfs/dbraw/zinc/45/22/22/454452222.db2.gz UOTHYCVIFPCLJX-AWEZNQCLSA-N 1 2 344.390 3.321 20 5 EGBDLO Cc1ccc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000080573853 454600921 /nfs/dbraw/zinc/60/09/21/454600921.db2.gz RMWBKTISIIPYEW-CQSZACIVSA-N 1 2 342.399 3.135 20 5 EGBDLO CCc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000080586387 454602061 /nfs/dbraw/zinc/60/20/61/454602061.db2.gz CGDBRFMYCFTTKR-UHFFFAOYSA-N 1 2 346.456 3.244 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236963 454651241 /nfs/dbraw/zinc/65/12/41/454651241.db2.gz BDDNQQLBRDUSFB-MRXNPFEDSA-N 1 2 345.443 3.350 20 5 EGBDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135236963 454651246 /nfs/dbraw/zinc/65/12/46/454651246.db2.gz BDDNQQLBRDUSFB-MRXNPFEDSA-N 1 2 345.443 3.350 20 5 EGBDLO Cc1ccnc(NCc2[nH+]ccn2CCc2ccccc2)c1[N+](=O)[O-] ZINC000081033060 454675308 /nfs/dbraw/zinc/67/53/08/454675308.db2.gz LMWHJNBYMLQUIH-UHFFFAOYSA-N 1 2 337.383 3.350 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000163302379 454837250 /nfs/dbraw/zinc/83/72/50/454837250.db2.gz IGSVFOUUUUNSKK-UHFFFAOYSA-N 1 2 347.802 3.276 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127068259 454935744 /nfs/dbraw/zinc/93/57/44/454935744.db2.gz XPYDEWODYZBJFE-BBRMVZONSA-N 1 2 343.387 3.215 20 5 EGBDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178724976 454970027 /nfs/dbraw/zinc/97/00/27/454970027.db2.gz VFSXVAUPXIRFHX-LBPRGKRZSA-N 1 2 331.372 3.264 20 5 EGBDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000178724976 454970028 /nfs/dbraw/zinc/97/00/28/454970028.db2.gz VFSXVAUPXIRFHX-LBPRGKRZSA-N 1 2 331.372 3.264 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccsc1 ZINC000128396426 455052114 /nfs/dbraw/zinc/05/21/14/455052114.db2.gz TZEXDDDIMKYMQE-NSHDSACASA-N 1 2 349.412 3.124 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC000128396426 455052118 /nfs/dbraw/zinc/05/21/18/455052118.db2.gz TZEXDDDIMKYMQE-NSHDSACASA-N 1 2 349.412 3.124 20 5 EGBDLO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Cn1cc[nH+]c1 ZINC000172622022 455165238 /nfs/dbraw/zinc/16/52/38/455165238.db2.gz LDIBYKLMXMWQFA-NSHDSACASA-N 1 2 344.396 3.072 20 5 EGBDLO Cc1cc(NC[C@H](C)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265879086 455398278 /nfs/dbraw/zinc/39/82/78/455398278.db2.gz XWZPYOAPLIXSKO-DGCLKSJQSA-N 1 2 330.388 3.179 20 5 EGBDLO CC(C)N(C)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000191232636 455468486 /nfs/dbraw/zinc/46/84/86/455468486.db2.gz QKXRRVYVGMTXIX-UHFFFAOYSA-N 1 2 328.416 3.466 20 5 EGBDLO CC(C)N(C)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000191232636 455468490 /nfs/dbraw/zinc/46/84/90/455468490.db2.gz QKXRRVYVGMTXIX-UHFFFAOYSA-N 1 2 328.416 3.466 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000247303441 455585712 /nfs/dbraw/zinc/58/57/12/455585712.db2.gz FXZZOUAVCTUSAI-INIZCTEOSA-N 1 2 345.374 3.047 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000247303441 455585719 /nfs/dbraw/zinc/58/57/19/455585719.db2.gz FXZZOUAVCTUSAI-INIZCTEOSA-N 1 2 345.374 3.047 20 5 EGBDLO COCCCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000283946750 455615575 /nfs/dbraw/zinc/61/55/75/455615575.db2.gz AISHNFVUUTZAHN-UHFFFAOYSA-N 1 2 343.221 3.142 20 5 EGBDLO COCCCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000283946750 455615578 /nfs/dbraw/zinc/61/55/78/455615578.db2.gz AISHNFVUUTZAHN-UHFFFAOYSA-N 1 2 343.221 3.142 20 5 EGBDLO COc1cccc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000192517120 455634903 /nfs/dbraw/zinc/63/49/03/455634903.db2.gz YQSNKZYEQKBUMH-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO Cc1cc(N[C@H]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000271451433 455640839 /nfs/dbraw/zinc/64/08/39/455640839.db2.gz XIJABPVBAUNVMD-JSGCOSHPSA-N 1 2 328.372 3.340 20 5 EGBDLO Cc1nc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268506999 455701994 /nfs/dbraw/zinc/70/19/94/455701994.db2.gz REBNKSVRRHMENH-TXEJJXNPSA-N 1 2 343.387 3.050 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000268951556 455741202 /nfs/dbraw/zinc/74/12/02/455741202.db2.gz IKAGYTIVWLAFCC-UHFFFAOYSA-N 1 2 339.193 3.080 20 5 EGBDLO C[N@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193576930 455765959 /nfs/dbraw/zinc/76/59/59/455765959.db2.gz BTWBBGOWXDKSKA-UHFFFAOYSA-N 1 2 331.328 3.014 20 5 EGBDLO C[N@@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193576930 455765962 /nfs/dbraw/zinc/76/59/62/455765962.db2.gz BTWBBGOWXDKSKA-UHFFFAOYSA-N 1 2 331.328 3.014 20 5 EGBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000284998092 455775184 /nfs/dbraw/zinc/77/51/84/455775184.db2.gz GSEFLIXDBMKLFA-GARJFASQSA-N 1 2 332.408 3.220 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000194502554 455851243 /nfs/dbraw/zinc/85/12/43/455851243.db2.gz YBUCCDOESGKSCF-UHFFFAOYSA-N 1 2 343.383 3.196 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc([N+](=O)[O-])c3cnccc32)CC1(C)C ZINC000296311990 455906518 /nfs/dbraw/zinc/90/65/18/455906518.db2.gz NPAUJNCCZVTRNB-INIZCTEOSA-N 1 2 337.383 3.464 20 5 EGBDLO C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000195656701 455993064 /nfs/dbraw/zinc/99/30/64/455993064.db2.gz NKJRQMNNPXCEBB-DZGCQCFKSA-N 1 2 342.399 3.337 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000301289982 456082181 /nfs/dbraw/zinc/08/21/81/456082181.db2.gz SZSNGMGJIKRDGC-UHFFFAOYSA-N 1 2 329.747 3.441 20 5 EGBDLO CC[N@H+](Cc1ccncc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289913102 456178985 /nfs/dbraw/zinc/17/89/85/456178985.db2.gz VEAVWYOOHBBFFT-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO CC[N@@H+](Cc1ccncc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289913102 456178990 /nfs/dbraw/zinc/17/89/90/456178990.db2.gz VEAVWYOOHBBFFT-UHFFFAOYSA-N 1 2 331.372 3.029 20 5 EGBDLO Cn1cnnc1C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000290254338 456275418 /nfs/dbraw/zinc/27/54/18/456275418.db2.gz VZEOYBMZSWNVTG-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO Cn1cnnc1C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000290254338 456275421 /nfs/dbraw/zinc/27/54/21/456275421.db2.gz VZEOYBMZSWNVTG-UHFFFAOYSA-N 1 2 343.412 3.084 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)c(OC(F)F)c1 ZINC000302062661 456278052 /nfs/dbraw/zinc/27/80/52/456278052.db2.gz UODWGNPCHHOIJT-UHFFFAOYSA-N 1 2 338.314 3.234 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000281856096 456340196 /nfs/dbraw/zinc/34/01/96/456340196.db2.gz QLBDENWGLVOGQL-MRXNPFEDSA-N 1 2 342.399 3.108 20 5 EGBDLO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCn2c[nH+]cc2C1 ZINC000290593220 456376655 /nfs/dbraw/zinc/37/66/55/456376655.db2.gz DEIITBDCVMFOOW-UHFFFAOYSA-N 1 2 346.696 3.484 20 5 EGBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCc1cccc(C)[nH+]1 ZINC000343113869 456414207 /nfs/dbraw/zinc/41/42/07/456414207.db2.gz ZVRGEMUUAMJPLN-UHFFFAOYSA-N 1 2 329.356 3.048 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348238245 456559982 /nfs/dbraw/zinc/55/99/82/456559982.db2.gz YCSZOPWAHGJDGQ-FZKQIMNGSA-N 1 2 334.416 3.381 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348238245 456559989 /nfs/dbraw/zinc/55/99/89/456559989.db2.gz YCSZOPWAHGJDGQ-FZKQIMNGSA-N 1 2 334.416 3.381 20 5 EGBDLO CSc1ccccc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000348331235 456630012 /nfs/dbraw/zinc/63/00/12/456630012.db2.gz QVNFPTFQBLHXPZ-UHFFFAOYSA-N 1 2 345.424 3.048 20 5 EGBDLO CSc1ccccc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000348331235 456630017 /nfs/dbraw/zinc/63/00/17/456630017.db2.gz QVNFPTFQBLHXPZ-UHFFFAOYSA-N 1 2 345.424 3.048 20 5 EGBDLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@]1=O ZINC000277451739 456830357 /nfs/dbraw/zinc/83/03/57/456830357.db2.gz JXOHAOVUZOFMJA-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[S@]1=O ZINC000277451739 456830360 /nfs/dbraw/zinc/83/03/60/456830360.db2.gz JXOHAOVUZOFMJA-YEBMWUKDSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062842 456922504 /nfs/dbraw/zinc/92/25/04/456922504.db2.gz MQLLTVWVWBHBIQ-CQSZACIVSA-N 1 2 330.384 3.074 20 5 EGBDLO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062842 456922508 /nfs/dbraw/zinc/92/25/08/456922508.db2.gz MQLLTVWVWBHBIQ-CQSZACIVSA-N 1 2 330.384 3.074 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cccs1 ZINC000349568904 456989081 /nfs/dbraw/zinc/98/90/81/456989081.db2.gz NGXRMFZPUAPMHR-UHFFFAOYSA-N 1 2 333.413 3.101 20 5 EGBDLO COc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000356533332 457040710 /nfs/dbraw/zinc/04/07/10/457040710.db2.gz VAPIUEMCKTYGSN-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000356533332 457040715 /nfs/dbraw/zinc/04/07/15/457040715.db2.gz VAPIUEMCKTYGSN-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330678005 457069161 /nfs/dbraw/zinc/06/91/61/457069161.db2.gz BWHFSRWKDQPUDU-UHFFFAOYSA-N 1 2 333.432 3.064 20 5 EGBDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330678005 457069167 /nfs/dbraw/zinc/06/91/67/457069167.db2.gz BWHFSRWKDQPUDU-UHFFFAOYSA-N 1 2 333.432 3.064 20 5 EGBDLO COCC[N@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356912477 457215409 /nfs/dbraw/zinc/21/54/09/457215409.db2.gz XWZLDJIHRCWEPT-UHFFFAOYSA-N 1 2 346.412 3.181 20 5 EGBDLO COCC[N@@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356912477 457215413 /nfs/dbraw/zinc/21/54/13/457215413.db2.gz XWZLDJIHRCWEPT-UHFFFAOYSA-N 1 2 346.412 3.181 20 5 EGBDLO CSc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000358773951 458208293 /nfs/dbraw/zinc/20/82/93/458208293.db2.gz AJECLXOHMQNJSR-UHFFFAOYSA-N 1 2 328.353 3.217 20 5 EGBDLO CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000362569684 458275669 /nfs/dbraw/zinc/27/56/69/458275669.db2.gz YPOPCMOIGFPITI-JSGCOSHPSA-N 1 2 328.372 3.089 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362592018 458288343 /nfs/dbraw/zinc/28/83/43/458288343.db2.gz MMFMCVJJPSQZKJ-RHSMWYFYSA-N 1 2 334.416 3.092 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362592018 458288348 /nfs/dbraw/zinc/28/83/48/458288348.db2.gz MMFMCVJJPSQZKJ-RHSMWYFYSA-N 1 2 334.416 3.092 20 5 EGBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000447809607 458345533 /nfs/dbraw/zinc/34/55/33/458345533.db2.gz AXNBPBUQBNVBMJ-OAHLLOKOSA-N 1 2 347.459 3.299 20 5 EGBDLO COCC1(C)C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000459623046 458429796 /nfs/dbraw/zinc/42/97/96/458429796.db2.gz OXNYNBVLPDBCEW-UHFFFAOYSA-N 1 2 333.413 3.187 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c([N+](=O)[O-])cc1F ZINC000373322908 458461771 /nfs/dbraw/zinc/46/17/71/458461771.db2.gz DDZOVDOHAIJKHC-HNNXBMFYSA-N 1 2 348.378 3.122 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c([N+](=O)[O-])cc1F ZINC000373322908 458461774 /nfs/dbraw/zinc/46/17/74/458461774.db2.gz DDZOVDOHAIJKHC-HNNXBMFYSA-N 1 2 348.378 3.122 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437830615 458499631 /nfs/dbraw/zinc/49/96/31/458499631.db2.gz WQPGARWMTVDMFK-INIZCTEOSA-N 1 2 339.395 3.159 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437830615 458499637 /nfs/dbraw/zinc/49/96/37/458499637.db2.gz WQPGARWMTVDMFK-INIZCTEOSA-N 1 2 339.395 3.159 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494260036 458649775 /nfs/dbraw/zinc/64/97/75/458649775.db2.gz QWNIKXAHXAXFDH-UHFFFAOYSA-N 1 2 338.766 3.382 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494260036 458649780 /nfs/dbraw/zinc/64/97/80/458649780.db2.gz QWNIKXAHXAXFDH-UHFFFAOYSA-N 1 2 338.766 3.382 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456403352 458665903 /nfs/dbraw/zinc/66/59/03/458665903.db2.gz WNYFVMSVKOCHSQ-COPLHBTASA-N 1 2 346.412 3.094 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000577618731 459062080 /nfs/dbraw/zinc/06/20/80/459062080.db2.gz RIPWPDYHIAHSDA-CQSZACIVSA-N 1 2 344.415 3.247 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000595009845 459214075 /nfs/dbraw/zinc/21/40/75/459214075.db2.gz DQLKXAYMQJPIJF-CYBMUJFWSA-N 1 2 340.383 3.410 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cn2cc(C)ccc2[nH+]1 ZINC000595009845 459214079 /nfs/dbraw/zinc/21/40/79/459214079.db2.gz DQLKXAYMQJPIJF-CYBMUJFWSA-N 1 2 340.383 3.410 20 5 EGBDLO COCCN(CC(C)C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000533783146 459269073 /nfs/dbraw/zinc/26/90/73/459269073.db2.gz BJWLATWSRCWYSW-UHFFFAOYSA-N 1 2 344.415 3.469 20 5 EGBDLO Cc1noc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC000595354970 459283078 /nfs/dbraw/zinc/28/30/78/459283078.db2.gz QATSLHXZZRRAKA-UHFFFAOYSA-N 1 2 339.355 3.057 20 5 EGBDLO Cc1noc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC000595354970 459283082 /nfs/dbraw/zinc/28/30/82/459283082.db2.gz QATSLHXZZRRAKA-UHFFFAOYSA-N 1 2 339.355 3.057 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595406945 459292930 /nfs/dbraw/zinc/29/29/30/459292930.db2.gz DPHRGZNBBCAEBF-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595406945 459292940 /nfs/dbraw/zinc/29/29/40/459292940.db2.gz DPHRGZNBBCAEBF-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595521508 459332906 /nfs/dbraw/zinc/33/29/06/459332906.db2.gz DHLSKTSVGCSJIG-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595521508 459332915 /nfs/dbraw/zinc/33/29/15/459332915.db2.gz DHLSKTSVGCSJIG-UHFFFAOYSA-N 1 2 348.374 3.127 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000483533786 459374045 /nfs/dbraw/zinc/37/40/45/459374045.db2.gz SZJQVFGDSMLPON-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000483533786 459374051 /nfs/dbraw/zinc/37/40/51/459374051.db2.gz SZJQVFGDSMLPON-UHFFFAOYSA-N 1 2 334.322 3.310 20 5 EGBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000596067548 459507836 /nfs/dbraw/zinc/50/78/36/459507836.db2.gz PDZWTZJROADILX-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO Cn1c2ccc(CNc3cc[nH]c(=O)c3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000596268927 459580000 /nfs/dbraw/zinc/58/00/00/459580000.db2.gz NZBJOTZFHWHLSK-UHFFFAOYSA-N 1 2 339.355 3.072 20 5 EGBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000583787558 459595663 /nfs/dbraw/zinc/59/56/63/459595663.db2.gz SENIYAVLCITNTO-GJZGRUSLSA-N 1 2 348.378 3.224 20 5 EGBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000583787558 459595668 /nfs/dbraw/zinc/59/56/68/459595668.db2.gz SENIYAVLCITNTO-GJZGRUSLSA-N 1 2 348.378 3.224 20 5 EGBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1Cl ZINC000543739438 459693273 /nfs/dbraw/zinc/69/32/73/459693273.db2.gz UYFDVGLBFBOMPC-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598463967 459904079 /nfs/dbraw/zinc/90/40/79/459904079.db2.gz DKKJUEWOVFHQDB-LLVKDONJSA-N 1 2 348.428 3.321 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609135154 459909070 /nfs/dbraw/zinc/90/90/70/459909070.db2.gz IHSDLZPMLBZJFZ-GFCCVEGCSA-N 1 2 349.778 3.314 20 5 EGBDLO CO[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602448103 459943191 /nfs/dbraw/zinc/94/31/91/459943191.db2.gz KUBXISKCQNJCED-MRVPVSSYSA-N 1 2 335.223 3.030 20 5 EGBDLO CO[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602448103 459943197 /nfs/dbraw/zinc/94/31/97/459943197.db2.gz KUBXISKCQNJCED-MRVPVSSYSA-N 1 2 335.223 3.030 20 5 EGBDLO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602646576 460041248 /nfs/dbraw/zinc/04/12/48/460041248.db2.gz CBZSOTLTPCVONA-LBPRGKRZSA-N 1 2 349.250 3.420 20 5 EGBDLO CO[C@@]1(C)CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602646576 460041243 /nfs/dbraw/zinc/04/12/43/460041243.db2.gz CBZSOTLTPCVONA-LBPRGKRZSA-N 1 2 349.250 3.420 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597856121 460080181 /nfs/dbraw/zinc/08/01/81/460080181.db2.gz CVNJUEKONFRVQS-UHFFFAOYSA-N 1 2 334.401 3.091 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597856121 460080190 /nfs/dbraw/zinc/08/01/90/460080190.db2.gz CVNJUEKONFRVQS-UHFFFAOYSA-N 1 2 334.401 3.091 20 5 EGBDLO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610410328 460144856 /nfs/dbraw/zinc/14/48/56/460144856.db2.gz NVMAZIFOQNVBJS-BXUZGUMPSA-N 1 2 348.321 3.015 20 5 EGBDLO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610410328 460144860 /nfs/dbraw/zinc/14/48/60/460144860.db2.gz NVMAZIFOQNVBJS-BXUZGUMPSA-N 1 2 348.321 3.015 20 5 EGBDLO CCC[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OCC ZINC000599058833 460145292 /nfs/dbraw/zinc/14/52/92/460145292.db2.gz GNOYRFMYGHAAKF-DLBZAZTESA-N 1 2 346.431 3.213 20 5 EGBDLO CCC[C@H](C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)OCC ZINC000599058839 460145307 /nfs/dbraw/zinc/14/53/07/460145307.db2.gz GNOYRFMYGHAAKF-SJORKVTESA-N 1 2 346.431 3.213 20 5 EGBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000610433088 460151562 /nfs/dbraw/zinc/15/15/62/460151562.db2.gz WUJVOKDZWGVEIA-QGZVFWFLSA-N 1 2 340.358 3.462 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000610468866 460158627 /nfs/dbraw/zinc/15/86/27/460158627.db2.gz PDSKYIWANGATSP-UHFFFAOYSA-N 1 2 326.356 3.214 20 5 EGBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000614925099 460246754 /nfs/dbraw/zinc/24/67/54/460246754.db2.gz UUMNSEHKRLVCCO-ZDUSSCGKSA-N 1 2 336.285 3.277 20 5 EGBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000614925099 460246759 /nfs/dbraw/zinc/24/67/59/460246759.db2.gz UUMNSEHKRLVCCO-ZDUSSCGKSA-N 1 2 336.285 3.277 20 5 EGBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511890 460265156 /nfs/dbraw/zinc/26/51/56/460265156.db2.gz CTYIAKMYBDZZIR-SDDRHHMPSA-N 1 2 341.358 3.145 20 5 EGBDLO O=C(C[N@@H+]1CCCC(F)(F)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599551011 460272773 /nfs/dbraw/zinc/27/27/73/460272773.db2.gz DZHYYXSDOBKOOJ-UHFFFAOYSA-N 1 2 347.749 3.308 20 5 EGBDLO O=C(C[N@H+]1CCCC(F)(F)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599551011 460272775 /nfs/dbraw/zinc/27/27/75/460272775.db2.gz DZHYYXSDOBKOOJ-UHFFFAOYSA-N 1 2 347.749 3.308 20 5 EGBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cn2c(n1)CCCC2 ZINC000617867804 461008121 /nfs/dbraw/zinc/00/81/21/461008121.db2.gz DJHWBULJDVDUFM-VURMDHGXSA-N 1 2 326.400 3.273 20 5 EGBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cn2c(n1)CCCC2 ZINC000617867804 461008127 /nfs/dbraw/zinc/00/81/27/461008127.db2.gz DJHWBULJDVDUFM-VURMDHGXSA-N 1 2 326.400 3.273 20 5 EGBDLO CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1cn2c([nH+]1)CCCC2 ZINC000617867804 461008135 /nfs/dbraw/zinc/00/81/35/461008135.db2.gz DJHWBULJDVDUFM-VURMDHGXSA-N 1 2 326.400 3.273 20 5 EGBDLO CCC[C@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000131680250 528403143 /nfs/dbraw/zinc/40/31/43/528403143.db2.gz IUTZKBUEMDWUOD-WFASDCNBSA-N 1 2 346.387 3.207 20 5 EGBDLO CCC[C@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000131680250 528403152 /nfs/dbraw/zinc/40/31/52/528403152.db2.gz IUTZKBUEMDWUOD-WFASDCNBSA-N 1 2 346.387 3.207 20 5 EGBDLO CC1(C)CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174933196 535304533 /nfs/dbraw/zinc/30/45/33/535304533.db2.gz ZZMJWZFKMICCCD-HNNXBMFYSA-N 1 2 328.372 3.089 20 5 EGBDLO Nc1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c1 ZINC000731800763 575208933 /nfs/dbraw/zinc/20/89/33/575208933.db2.gz HOVYMJWZJCZGKP-UHFFFAOYSA-N 1 2 348.322 3.080 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000736739502 576016780 /nfs/dbraw/zinc/01/67/80/576016780.db2.gz VMHFVJVHBKXAIO-UHFFFAOYSA-N 1 2 330.340 3.281 20 5 EGBDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016516213 1291174174 /nfs/dbraw/zinc/17/41/74/1291174174.db2.gz NDLDRKIUSGQTTA-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CS[C@@H](C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835381899 1293279123 /nfs/dbraw/zinc/27/91/23/1293279123.db2.gz HEVPDJBCFZUDJH-MNOVXSKESA-N 1 2 335.385 3.077 20 5 EGBDLO C[C@@H]1COCCN1c1ccc([NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000876865923 1299040440 /nfs/dbraw/zinc/04/04/40/1299040440.db2.gz KBURKGQGYYWNTL-OAHLLOKOSA-N 1 2 341.411 3.475 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000878315296 1299912479 /nfs/dbraw/zinc/91/24/79/1299912479.db2.gz KZIGLIBPOBSXIL-VIFPVBQESA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000878315296 1299912488 /nfs/dbraw/zinc/91/24/88/1299912488.db2.gz KZIGLIBPOBSXIL-VIFPVBQESA-N 1 2 342.277 3.029 20 5 EGBDLO CCc1ccc([C@@H]([NH2+]CC2(C)OCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753697360 1300008199 /nfs/dbraw/zinc/00/81/99/1300008199.db2.gz BHZRGKJAJHQBIP-KRWDZBQOSA-N 1 2 346.383 3.192 20 5 EGBDLO CCC(CC)[N@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CC1 ZINC000755268323 1300310152 /nfs/dbraw/zinc/31/01/52/1300310152.db2.gz FKJROJBASZOREI-UHFFFAOYSA-N 1 2 346.387 3.022 20 5 EGBDLO CCC(CC)[N@@H+](Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CC1 ZINC000755268323 1300310166 /nfs/dbraw/zinc/31/01/66/1300310166.db2.gz FKJROJBASZOREI-UHFFFAOYSA-N 1 2 346.387 3.022 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769245029 1303079988 /nfs/dbraw/zinc/07/99/88/1303079988.db2.gz PWCNECTXVCNTLV-MOPGFXCFSA-N 1 2 342.395 3.389 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769245029 1303079995 /nfs/dbraw/zinc/07/99/95/1303079995.db2.gz PWCNECTXVCNTLV-MOPGFXCFSA-N 1 2 342.395 3.389 20 5 EGBDLO CSC(C)(C)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000775317483 1303938442 /nfs/dbraw/zinc/93/84/42/1303938442.db2.gz NXYSIXWPEBTBBM-UHFFFAOYSA-N 1 2 335.385 3.079 20 5 EGBDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000776587150 1304176579 /nfs/dbraw/zinc/17/65/79/1304176579.db2.gz USYGSHBBRAQKPS-OAUYIBNBSA-N 1 2 348.424 3.152 20 5 EGBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000776587150 1304176582 /nfs/dbraw/zinc/17/65/82/1304176582.db2.gz USYGSHBBRAQKPS-OAUYIBNBSA-N 1 2 348.424 3.152 20 5 EGBDLO COc1c(O)ccc(CNc2ccc3c(c2)CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000893367533 1305851618 /nfs/dbraw/zinc/85/16/18/1305851618.db2.gz JTXHRELIXHSIJR-UHFFFAOYSA-N 1 2 343.383 3.304 20 5 EGBDLO COc1c(O)ccc(CNc2ccc3c(c2)CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000893367533 1305851631 /nfs/dbraw/zinc/85/16/31/1305851631.db2.gz JTXHRELIXHSIJR-UHFFFAOYSA-N 1 2 343.383 3.304 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792089751 1309120142 /nfs/dbraw/zinc/12/01/42/1309120142.db2.gz QNBJGQMSPMATAX-UHFFFAOYSA-N 1 2 347.396 3.430 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792119114 1309124245 /nfs/dbraw/zinc/12/42/45/1309124245.db2.gz RAMIJMVCEKANJH-UHFFFAOYSA-N 1 2 347.396 3.431 20 5 EGBDLO COc1cccc(N2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000895354950 1309296924 /nfs/dbraw/zinc/29/69/24/1309296924.db2.gz TUGGCIMNLXDNDM-UHFFFAOYSA-N 1 2 328.372 3.079 20 5 EGBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000793786851 1309440300 /nfs/dbraw/zinc/44/03/00/1309440300.db2.gz CPDSKJKMPLMXPP-AWEZNQCLSA-N 1 2 338.820 3.269 20 5 EGBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000793786851 1309440305 /nfs/dbraw/zinc/44/03/05/1309440305.db2.gz CPDSKJKMPLMXPP-AWEZNQCLSA-N 1 2 338.820 3.269 20 5 EGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000809342722 1317799917 /nfs/dbraw/zinc/79/99/17/1317799917.db2.gz RJBRRUXQKJDTQS-UHFFFAOYSA-N 1 2 334.326 3.254 20 5 EGBDLO Cc1occc1-c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000810319490 1317999488 /nfs/dbraw/zinc/99/94/88/1317999488.db2.gz HMLSFLOKQWYOAC-UHFFFAOYSA-N 1 2 337.295 3.399 20 5 EGBDLO Cc1nn(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000811776128 1318261921 /nfs/dbraw/zinc/26/19/21/1318261921.db2.gz AMBVJQNZGOKANA-SJORKVTESA-N 1 2 344.415 3.100 20 5 EGBDLO Cc1nn(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000811776128 1318261929 /nfs/dbraw/zinc/26/19/29/1318261929.db2.gz AMBVJQNZGOKANA-SJORKVTESA-N 1 2 344.415 3.100 20 5 EGBDLO Cc1nn(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000842646870 1321413422 /nfs/dbraw/zinc/41/34/22/1321413422.db2.gz VGVFKBBQMODOGE-CYBMUJFWSA-N 1 2 344.415 3.244 20 5 EGBDLO Cc1nn(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000842646870 1321413424 /nfs/dbraw/zinc/41/34/24/1321413424.db2.gz VGVFKBBQMODOGE-CYBMUJFWSA-N 1 2 344.415 3.244 20 5 EGBDLO C[N@H+](C[C@@H]1CCCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000918732633 1321987028 /nfs/dbraw/zinc/98/70/28/1321987028.db2.gz PZAVKWRIPDYDEB-LBPRGKRZSA-N 1 2 337.401 3.330 20 5 EGBDLO C[N@@H+](C[C@@H]1CCCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000918732633 1321987034 /nfs/dbraw/zinc/98/70/34/1321987034.db2.gz PZAVKWRIPDYDEB-LBPRGKRZSA-N 1 2 337.401 3.330 20 5 EGBDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1CO ZINC000856798166 1325528108 /nfs/dbraw/zinc/52/81/08/1325528108.db2.gz PPYMEENVICTGQH-MWLCHTKSSA-N 1 2 333.215 3.352 20 5 EGBDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1CO ZINC000856798166 1325528101 /nfs/dbraw/zinc/52/81/01/1325528101.db2.gz PPYMEENVICTGQH-MWLCHTKSSA-N 1 2 333.215 3.352 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)c(C(F)F)c1 ZINC000865424003 1329695576 /nfs/dbraw/zinc/69/55/76/1329695576.db2.gz RKGCFJUQTYCBTP-UHFFFAOYSA-N 1 2 348.353 3.250 20 5 EGBDLO Cc1noc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC000932212470 1329796542 /nfs/dbraw/zinc/79/65/42/1329796542.db2.gz CTSLULSSFMXSLP-CYBMUJFWSA-N 1 2 329.356 3.427 20 5 EGBDLO CC(C)(C)Cc1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001326237799 1388131809 /nfs/dbraw/zinc/13/18/09/1388131809.db2.gz HPAXYGCXKCALHS-UHFFFAOYSA-N 1 2 327.344 3.419 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCCc2cn3c([nH+]2)CCCC3)c1C ZINC001122943684 1372345307 /nfs/dbraw/zinc/34/53/07/1372345307.db2.gz UOMSHNWCIJPACO-UHFFFAOYSA-N 1 2 343.383 3.144 20 5 EGBDLO Cc1ccc(Nc2ccccc2C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001213667704 1372943385 /nfs/dbraw/zinc/94/33/85/1372943385.db2.gz WDLJMSHSHOXYAC-UHFFFAOYSA-N 1 2 340.427 3.394 20 5 EGBDLO C[C@@H](Oc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227479693 1375435461 /nfs/dbraw/zinc/43/54/61/1375435461.db2.gz HXQSPXVSZMQACN-DNVCBOLYSA-N 1 2 342.395 3.263 20 5 EGBDLO C[C@@H](Oc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227479693 1375435465 /nfs/dbraw/zinc/43/54/65/1375435465.db2.gz HXQSPXVSZMQACN-DNVCBOLYSA-N 1 2 342.395 3.263 20 5 EGBDLO Nc1cc(CNc2nc3ccccc3c(Cl)c2[N+](=O)[O-])cc[nH+]1 ZINC001156757602 1380627882 /nfs/dbraw/zinc/62/78/82/1380627882.db2.gz XXVMWEXRIWSCIK-UHFFFAOYSA-N 1 2 329.747 3.386 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001162129510 1382634167 /nfs/dbraw/zinc/63/41/67/1382634167.db2.gz IHGHLUZIUDKUGZ-UHFFFAOYSA-N 1 2 341.371 3.264 20 5 EGBDLO CCOc1cc([N+](=O)[O-])ccc1NCCc1cn2ccccc2[nH+]1 ZINC001169005109 1384085137 /nfs/dbraw/zinc/08/51/37/1384085137.db2.gz WUPNTBWZWZEHDL-UHFFFAOYSA-N 1 2 326.356 3.296 20 5 EGBDLO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001173211198 1384936094 /nfs/dbraw/zinc/93/60/94/1384936094.db2.gz QYXQURUUDLETFE-XJKSGUPXSA-N 1 2 336.432 3.482 20 5 EGBDLO COC(=O)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001173210050 1384936277 /nfs/dbraw/zinc/93/62/77/1384936277.db2.gz HBXJVHLEBPHHMD-CXAGYDPISA-N 1 2 334.416 3.237 20 5 EGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCO1 ZINC001338310888 1389630341 /nfs/dbraw/zinc/63/03/41/1389630341.db2.gz IEVLDDXTGOUCKD-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCO1 ZINC001338310888 1389630344 /nfs/dbraw/zinc/63/03/44/1389630344.db2.gz IEVLDDXTGOUCKD-CYBMUJFWSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001339114718 1389907083 /nfs/dbraw/zinc/90/70/83/1389907083.db2.gz WBXTUZWCUKDXIO-LBPRGKRZSA-N 1 2 331.397 3.148 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001343430664 1390713439 /nfs/dbraw/zinc/71/34/39/1390713439.db2.gz ACTLZDNEWMHKHL-FOWTUZBSSA-N 1 2 345.443 3.188 20 5 EGBDLO C[C@@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC001353394287 1392002015 /nfs/dbraw/zinc/00/20/15/1392002015.db2.gz DVZGGQSSHSXEKY-ABAIWWIYSA-N 1 2 347.350 3.045 20 5 EGBDLO Cc1c([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cnn1C ZINC000183352413 235022039 /nfs/dbraw/zinc/02/20/39/235022039.db2.gz TUFWXUBWZFNONM-LLVKDONJSA-N 1 2 341.371 3.143 20 5 EGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000129089870 223019687 /nfs/dbraw/zinc/01/96/87/223019687.db2.gz PBNDZRIQKBOIKN-CYBMUJFWSA-N 1 2 345.424 3.175 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000266524011 296242197 /nfs/dbraw/zinc/24/21/97/296242197.db2.gz JUXQCZCESMSVHP-HOTGVXAUSA-N 1 2 340.427 3.430 20 5 EGBDLO C[C@@H](c1cccnc1)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266524011 296242198 /nfs/dbraw/zinc/24/21/98/296242198.db2.gz JUXQCZCESMSVHP-HOTGVXAUSA-N 1 2 340.427 3.430 20 5 EGBDLO C[C@@H]1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)S1=O ZINC000361654673 144344232 /nfs/dbraw/zinc/34/42/32/144344232.db2.gz LWMXTBWEPNBNJR-CHWSQXEVSA-N 1 2 348.424 3.196 20 5 EGBDLO Cc1ccc([C@H]2COCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000116895781 152079598 /nfs/dbraw/zinc/07/95/98/152079598.db2.gz PZCDCNTZFKTGSW-QGZVFWFLSA-N 1 2 346.383 3.339 20 5 EGBDLO Cc1ccc([C@H]2COCC[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000116895781 152079602 /nfs/dbraw/zinc/07/96/02/152079602.db2.gz PZCDCNTZFKTGSW-QGZVFWFLSA-N 1 2 346.383 3.339 20 5 EGBDLO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337377762 154318238 /nfs/dbraw/zinc/31/82/38/154318238.db2.gz WIMQIKXRWZKVQB-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337377762 154318239 /nfs/dbraw/zinc/31/82/39/154318239.db2.gz WIMQIKXRWZKVQB-CYBMUJFWSA-N 1 2 343.383 3.062 20 5 EGBDLO Cc1cccc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)c1[N+](=O)[O-] ZINC000344110580 164105393 /nfs/dbraw/zinc/10/53/93/164105393.db2.gz ZEJYQCYAEFRABS-UHFFFAOYSA-N 1 2 339.355 3.098 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000352358285 165360974 /nfs/dbraw/zinc/36/09/74/165360974.db2.gz XZLCHNIGGIIZOG-UHFFFAOYSA-N 1 2 349.394 3.172 20 5 EGBDLO Cc1nc(N[C@H](c2[nH+]ccn2C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000366180020 168091231 /nfs/dbraw/zinc/09/12/31/168091231.db2.gz SBBXLYCBSXGOIW-INIZCTEOSA-N 1 2 341.346 3.372 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(Cl)c1 ZINC000122605541 222122543 /nfs/dbraw/zinc/12/25/43/222122543.db2.gz CWLUQIDPHBILNG-UHFFFAOYSA-N 1 2 338.713 3.137 20 5 EGBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000273526794 267053300 /nfs/dbraw/zinc/05/33/00/267053300.db2.gz ZYTWTCPNWQBJCN-ZDUSSCGKSA-N 1 2 333.323 3.216 20 5 EGBDLO COCC1=CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000274889071 267301978 /nfs/dbraw/zinc/30/19/78/267301978.db2.gz DDUYVONQWICPIY-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO COCC1=CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000274889071 267301979 /nfs/dbraw/zinc/30/19/79/267301979.db2.gz DDUYVONQWICPIY-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000043784013 275129895 /nfs/dbraw/zinc/12/98/95/275129895.db2.gz GGNYIDSOJSLOGU-OAHLLOKOSA-N 1 2 341.411 3.040 20 5 EGBDLO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000043784013 275129896 /nfs/dbraw/zinc/12/98/96/275129896.db2.gz GGNYIDSOJSLOGU-OAHLLOKOSA-N 1 2 341.411 3.040 20 5 EGBDLO Cn1cc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000184610313 275212819 /nfs/dbraw/zinc/21/28/19/275212819.db2.gz AXOYBBZKQSLHTI-SFHVURJKSA-N 1 2 340.358 3.347 20 5 EGBDLO Cc1cc(N[C@H]2CCC[C@H]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275048918 275251468 /nfs/dbraw/zinc/25/14/68/275251468.db2.gz SIUFYUVSBFQPME-BBRMVZONSA-N 1 2 342.399 3.323 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ncnn1-c1ccccc1)CCC2 ZINC000279505014 275335768 /nfs/dbraw/zinc/33/57/68/275335768.db2.gz NAUQFXMHNUMCSA-GOSISDBHSA-N 1 2 349.394 3.343 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](C)O2 ZINC000279672054 275348657 /nfs/dbraw/zinc/34/86/57/275348657.db2.gz DOEKVZFDVBAQSH-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](C)O2 ZINC000279672054 275348658 /nfs/dbraw/zinc/34/86/58/275348658.db2.gz DOEKVZFDVBAQSH-WQGACYEGSA-N 1 2 340.807 3.017 20 5 EGBDLO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000063605206 307355337 /nfs/dbraw/zinc/35/53/37/307355337.db2.gz UTQTUXBQTRRMBH-GOSISDBHSA-N 1 2 341.411 3.294 20 5 EGBDLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000414263188 309069454 /nfs/dbraw/zinc/06/94/54/309069454.db2.gz SLVCXKKUTGYRPS-SECBINFHSA-N 1 2 326.278 3.254 20 5 EGBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160817236 307894859 /nfs/dbraw/zinc/89/48/59/307894859.db2.gz UFOLCKIULYLTQF-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000414334504 309073460 /nfs/dbraw/zinc/07/34/60/309073460.db2.gz BMHGPRIFTRHZNT-INMHGKMJSA-N 1 2 338.367 3.156 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](CF)C2)s1 ZINC000414468293 309082124 /nfs/dbraw/zinc/08/21/24/309082124.db2.gz GIWJJYHVXNBEDF-GFCCVEGCSA-N 1 2 336.388 3.494 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@H](CF)C2)s1 ZINC000414468293 309082125 /nfs/dbraw/zinc/08/21/25/309082125.db2.gz GIWJJYHVXNBEDF-GFCCVEGCSA-N 1 2 336.388 3.494 20 5 EGBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2sccc2Cl)CC1 ZINC000296163598 308400098 /nfs/dbraw/zinc/40/00/98/308400098.db2.gz YIBHPRNZBCQMGF-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)cc1OC(F)F ZINC000301375978 308698371 /nfs/dbraw/zinc/69/83/71/308698371.db2.gz VWUNNIKPGKPOOV-UHFFFAOYSA-N 1 2 334.282 3.456 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000359086551 308892356 /nfs/dbraw/zinc/89/23/56/308892356.db2.gz VKNOWBHTYSUQCO-UHFFFAOYSA-N 1 2 337.383 3.464 20 5 EGBDLO Cn1c(CCCNc2ncc([N+](=O)[O-])cc2F)[nH+]c2ccccc21 ZINC000413171838 309019556 /nfs/dbraw/zinc/01/95/56/309019556.db2.gz BECIKVWWYGIDGZ-UHFFFAOYSA-N 1 2 329.335 3.060 20 5 EGBDLO CN(CCC(=O)OC(C)(C)C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413205206 309021362 /nfs/dbraw/zinc/02/13/62/309021362.db2.gz YLXMUFVNAICBKO-UHFFFAOYSA-N 1 2 331.372 3.311 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOC[C@H](C4CCC4)C3)c2c1 ZINC000413301131 309025723 /nfs/dbraw/zinc/02/57/23/309025723.db2.gz KMMAFXNLKKGIQH-OAHLLOKOSA-N 1 2 327.384 3.396 20 5 EGBDLO Cc1cc(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000420813601 309296176 /nfs/dbraw/zinc/29/61/76/309296176.db2.gz VWGNQRIFEUDQKL-CQSZACIVSA-N 1 2 342.399 3.475 20 5 EGBDLO Cc1cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000421574218 309330262 /nfs/dbraw/zinc/33/02/62/309330262.db2.gz FDVXHZVLWKCHMW-UHFFFAOYSA-N 1 2 327.384 3.201 20 5 EGBDLO CC[C@H](Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)c1[nH]cc[nH+]1 ZINC000439649449 309837677 /nfs/dbraw/zinc/83/76/77/309837677.db2.gz PLOIZPQKNXCODY-AWEZNQCLSA-N 1 2 338.371 3.068 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4nccs4)CCCC3)nc2c1 ZINC000444667241 309925072 /nfs/dbraw/zinc/92/50/72/309925072.db2.gz SOBHKGHYZLMCRS-UHFFFAOYSA-N 1 2 343.412 3.487 20 5 EGBDLO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2nccn21 ZINC000449572334 310072984 /nfs/dbraw/zinc/07/29/84/310072984.db2.gz MWVXVVTUFOQFCM-JOYOIKCWSA-N 1 2 338.314 3.188 20 5 EGBDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c2nccn21 ZINC000449572332 310073086 /nfs/dbraw/zinc/07/30/86/310073086.db2.gz MWVXVVTUFOQFCM-BXKDBHETSA-N 1 2 338.314 3.188 20 5 EGBDLO CC(C)(C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000452333855 310223653 /nfs/dbraw/zinc/22/36/53/310223653.db2.gz KYCPKYUTLRMOCC-UHFFFAOYSA-N 1 2 346.362 3.183 20 5 EGBDLO Cn1cc(Cl)c(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000453325834 310271165 /nfs/dbraw/zinc/27/11/65/310271165.db2.gz UOYVRWLHWAIPAR-CQSZACIVSA-N 1 2 334.807 3.494 20 5 EGBDLO Cc1cc(C)c(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000454608837 310319889 /nfs/dbraw/zinc/31/98/89/310319889.db2.gz KYSVWQPPSUNIKH-CQSZACIVSA-N 1 2 342.399 3.475 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455137878 310346524 /nfs/dbraw/zinc/34/65/24/310346524.db2.gz IXSNQCBNSBSXLJ-AAEUAGOBSA-N 1 2 329.360 3.236 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456412165 310404982 /nfs/dbraw/zinc/40/49/82/310404982.db2.gz HDDSMRJOTLBAAC-XPKDYRNWSA-N 1 2 342.399 3.182 20 5 EGBDLO CCCCOCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489196206 311095428 /nfs/dbraw/zinc/09/54/28/311095428.db2.gz IYMCLTYQFDNUDX-UHFFFAOYSA-N 1 2 330.388 3.011 20 5 EGBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(F)c1 ZINC000506802946 312054614 /nfs/dbraw/zinc/05/46/14/312054614.db2.gz DRZHZQYJEYDBKW-FNORWQNLSA-N 1 2 343.358 3.318 20 5 EGBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(F)c1 ZINC000506802946 312054616 /nfs/dbraw/zinc/05/46/16/312054616.db2.gz DRZHZQYJEYDBKW-FNORWQNLSA-N 1 2 343.358 3.318 20 5 EGBDLO CCc1ccc([C@H](CO)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000509008073 312107527 /nfs/dbraw/zinc/10/75/27/312107527.db2.gz UJEWFFYIAPOGOO-KRWDZBQOSA-N 1 2 336.338 3.259 20 5 EGBDLO O=[N+]([O-])c1ccc(CCN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000555375913 315381967 /nfs/dbraw/zinc/38/19/67/315381967.db2.gz OHPLLSHOEFKYFT-UHFFFAOYSA-N 1 2 331.441 3.017 20 5 EGBDLO Nc1nc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]c2ccccc12 ZINC000571136591 317154545 /nfs/dbraw/zinc/15/45/45/317154545.db2.gz ZKEMJVBYDLXVBS-AWEZNQCLSA-N 1 2 349.394 3.335 20 5 EGBDLO CC(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000571607045 317221957 /nfs/dbraw/zinc/22/19/57/317221957.db2.gz WRJBBLWLYHYDQV-UHFFFAOYSA-N 1 2 325.324 3.333 20 5 EGBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1 ZINC000180708084 455231040 /nfs/dbraw/zinc/23/10/40/455231040.db2.gz XVGYUAFNUFVZNH-UHFFFAOYSA-N 1 2 348.428 3.112 20 5 EGBDLO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991313 453720640 /nfs/dbraw/zinc/72/06/40/453720640.db2.gz UWTSVYDXRVUOPF-NSHDSACASA-N 1 2 325.796 3.451 20 5 EGBDLO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991313 453720643 /nfs/dbraw/zinc/72/06/43/453720643.db2.gz UWTSVYDXRVUOPF-NSHDSACASA-N 1 2 325.796 3.451 20 5 EGBDLO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026372406 453798107 /nfs/dbraw/zinc/79/81/07/453798107.db2.gz OVQRSGVVMUDVSJ-LLVKDONJSA-N 1 2 342.380 3.362 20 5 EGBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000087082871 454061594 /nfs/dbraw/zinc/06/15/94/454061594.db2.gz TVEHADVAZVKIEO-UHFFFAOYSA-N 1 2 336.351 3.352 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cn2c1 ZINC000056530339 454065666 /nfs/dbraw/zinc/06/56/66/454065666.db2.gz IDPFESSLVRLKTE-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO C[C@H](c1ccco1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000069066459 454076485 /nfs/dbraw/zinc/07/64/85/454076485.db2.gz WCWARFUDYSPTHG-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000069066459 454076487 /nfs/dbraw/zinc/07/64/87/454076487.db2.gz WCWARFUDYSPTHG-LLVKDONJSA-N 1 2 328.328 3.431 20 5 EGBDLO O=[N+]([O-])c1ccc2nc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000089794172 454200968 /nfs/dbraw/zinc/20/09/68/454200968.db2.gz RYDKVYXZJGUQCA-MRXNPFEDSA-N 1 2 336.351 3.196 20 5 EGBDLO Cc1cc(NCC[C@@H](O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078342172 454236122 /nfs/dbraw/zinc/23/61/22/454236122.db2.gz JZCJLDKJBYKQEP-OAHLLOKOSA-N 1 2 330.388 3.179 20 5 EGBDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072582754 454313458 /nfs/dbraw/zinc/31/34/58/454313458.db2.gz AHLXJAWACOQZEH-CQSZACIVSA-N 1 2 344.415 3.078 20 5 EGBDLO Cc1noc(C)c1CN1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072582754 454313463 /nfs/dbraw/zinc/31/34/63/454313463.db2.gz AHLXJAWACOQZEH-CQSZACIVSA-N 1 2 344.415 3.078 20 5 EGBDLO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000079141783 454373539 /nfs/dbraw/zinc/37/35/39/454373539.db2.gz IMSLDZHJGFKWIL-BJMVGYQFSA-N 1 2 348.362 3.110 20 5 EGBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000063309351 454405163 /nfs/dbraw/zinc/40/51/63/454405163.db2.gz YGBMOELFYTVUPM-LLVKDONJSA-N 1 2 325.796 3.309 20 5 EGBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000063309351 454405166 /nfs/dbraw/zinc/40/51/66/454405166.db2.gz YGBMOELFYTVUPM-LLVKDONJSA-N 1 2 325.796 3.309 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000121373242 454427811 /nfs/dbraw/zinc/42/78/11/454427811.db2.gz WDYIGQVXBYOGOB-GOSISDBHSA-N 1 2 330.359 3.482 20 5 EGBDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000121373242 454427818 /nfs/dbraw/zinc/42/78/18/454427818.db2.gz WDYIGQVXBYOGOB-GOSISDBHSA-N 1 2 330.359 3.482 20 5 EGBDLO O=C(CCn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000101586867 454475861 /nfs/dbraw/zinc/47/58/61/454475861.db2.gz GQXZMVWBZBANQP-UHFFFAOYSA-N 1 2 336.351 3.487 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c1 ZINC000092048187 454509544 /nfs/dbraw/zinc/50/95/44/454509544.db2.gz UFUCXHXZPMDWJV-UHFFFAOYSA-N 1 2 344.440 3.251 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225327 454648476 /nfs/dbraw/zinc/64/84/76/454648476.db2.gz XPVGVJJRNNSMBV-GASCZTMLSA-N 1 2 345.443 3.349 20 5 EGBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225327 454648479 /nfs/dbraw/zinc/64/84/79/454648479.db2.gz XPVGVJJRNNSMBV-GASCZTMLSA-N 1 2 345.443 3.349 20 5 EGBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000125355426 454816531 /nfs/dbraw/zinc/81/65/31/454816531.db2.gz IEKNEBMGBOCMNN-UHFFFAOYSA-N 1 2 345.355 3.286 20 5 EGBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000125355426 454816536 /nfs/dbraw/zinc/81/65/36/454816536.db2.gz IEKNEBMGBOCMNN-UHFFFAOYSA-N 1 2 345.355 3.286 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109783376 454837177 /nfs/dbraw/zinc/83/71/77/454837177.db2.gz FVSHAFKSKLEGPE-CYBMUJFWSA-N 1 2 343.383 3.240 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109783376 454837179 /nfs/dbraw/zinc/83/71/79/454837179.db2.gz FVSHAFKSKLEGPE-CYBMUJFWSA-N 1 2 343.383 3.240 20 5 EGBDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167894479 454923983 /nfs/dbraw/zinc/92/39/83/454923983.db2.gz ZHKYCCYRDZXAQI-DOMZBBRYSA-N 1 2 329.404 3.495 20 5 EGBDLO COc1ccnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1OC ZINC000190428700 455315514 /nfs/dbraw/zinc/31/55/14/455315514.db2.gz BXAYWYUIKLHAQF-UHFFFAOYSA-N 1 2 345.399 3.418 20 5 EGBDLO COc1ccnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1OC ZINC000190428700 455315515 /nfs/dbraw/zinc/31/55/15/455315515.db2.gz BXAYWYUIKLHAQF-UHFFFAOYSA-N 1 2 345.399 3.418 20 5 EGBDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000175260848 455431653 /nfs/dbraw/zinc/43/16/53/455431653.db2.gz WMCKQMDXPDHSFX-QWRGUYRKSA-N 1 2 334.401 3.038 20 5 EGBDLO COCC[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191119212 455446230 /nfs/dbraw/zinc/44/62/30/455446230.db2.gz IKIYAIIOOXBPKR-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191119212 455446235 /nfs/dbraw/zinc/44/62/35/455446235.db2.gz IKIYAIIOOXBPKR-UHFFFAOYSA-N 1 2 335.791 3.292 20 5 EGBDLO O=[N+]([O-])c1cnc(NCc2[nH+]ccn2CCc2ccccc2)s1 ZINC000192481870 455628565 /nfs/dbraw/zinc/62/85/65/455628565.db2.gz TZQCBFAPCDUTHQ-UHFFFAOYSA-N 1 2 329.385 3.103 20 5 EGBDLO CC(C)[N@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000292514496 455684516 /nfs/dbraw/zinc/68/45/16/455684516.db2.gz DIFVLJWKAMFODA-UHFFFAOYSA-N 1 2 331.420 3.421 20 5 EGBDLO CC(C)[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000292514496 455684521 /nfs/dbraw/zinc/68/45/21/455684521.db2.gz DIFVLJWKAMFODA-UHFFFAOYSA-N 1 2 331.420 3.421 20 5 EGBDLO COc1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1F ZINC000192935166 455721419 /nfs/dbraw/zinc/72/14/19/455721419.db2.gz WZLKTZOAIHEBFK-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000248773199 455730977 /nfs/dbraw/zinc/73/09/77/455730977.db2.gz QVTUUOIKQJRSCH-DOTOQJQBSA-N 1 2 345.443 3.208 20 5 EGBDLO C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000248773199 455730984 /nfs/dbraw/zinc/73/09/84/455730984.db2.gz QVTUUOIKQJRSCH-DOTOQJQBSA-N 1 2 345.443 3.208 20 5 EGBDLO CN(C)c1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c[nH+]1 ZINC000278360129 455828345 /nfs/dbraw/zinc/82/83/45/455828345.db2.gz KDNDOOGGQPKYJW-UHFFFAOYSA-N 1 2 341.293 3.082 20 5 EGBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000195599751 455989313 /nfs/dbraw/zinc/98/93/13/455989313.db2.gz QHADBGKKHAMUPV-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1NCc1ccc(N3CCCC3)[nH+]c1)CCN2 ZINC000188553394 456082380 /nfs/dbraw/zinc/08/23/80/456082380.db2.gz VAEOZLSCVHYDRV-UHFFFAOYSA-N 1 2 339.399 3.170 20 5 EGBDLO Cc1cc(NC[C@H]2CCC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301384199 456103736 /nfs/dbraw/zinc/10/37/36/456103736.db2.gz BQEBBDHRWPIEQE-XJKSGUPXSA-N 1 2 342.399 3.323 20 5 EGBDLO CN(C)c1ncc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000271034004 456104879 /nfs/dbraw/zinc/10/48/79/456104879.db2.gz JDCWPCOYRKRTPO-UHFFFAOYSA-N 1 2 340.836 3.403 20 5 EGBDLO CN(C)c1ncc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000271034004 456104881 /nfs/dbraw/zinc/10/48/81/456104881.db2.gz JDCWPCOYRKRTPO-UHFFFAOYSA-N 1 2 340.836 3.403 20 5 EGBDLO CCOc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000301621109 456164860 /nfs/dbraw/zinc/16/48/60/456164860.db2.gz DAHIHFFOOPGKLW-OAHLLOKOSA-N 1 2 329.356 3.046 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000281234858 456173313 /nfs/dbraw/zinc/17/33/13/456173313.db2.gz LGEXOTXYGUEUQP-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000281234858 456173317 /nfs/dbraw/zinc/17/33/17/456173317.db2.gz LGEXOTXYGUEUQP-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1cc(N[C@H]2CC[C@@H](CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301828190 456225662 /nfs/dbraw/zinc/22/56/62/456225662.db2.gz OBMMBCJJZNGCBK-OTVXOJSOSA-N 1 2 342.399 3.323 20 5 EGBDLO Cc1ccc([C@H](C)Nc2nc(N(C)C)nc(C(C)C)[nH+]2)cc1[N+](=O)[O-] ZINC000301918210 456250736 /nfs/dbraw/zinc/25/07/36/456250736.db2.gz DZKQEXIEFPOPDQ-LBPRGKRZSA-N 1 2 344.419 3.451 20 5 EGBDLO Cc1ccc([C@H](C)Nc2nc(C(C)C)[nH+]c(N(C)C)n2)cc1[N+](=O)[O-] ZINC000301918210 456250742 /nfs/dbraw/zinc/25/07/42/456250742.db2.gz DZKQEXIEFPOPDQ-LBPRGKRZSA-N 1 2 344.419 3.451 20 5 EGBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2[nH+]1 ZINC000342945924 456330939 /nfs/dbraw/zinc/33/09/39/456330939.db2.gz UUKUXOIYFBPIHJ-UHFFFAOYSA-N 1 2 327.344 3.349 20 5 EGBDLO O=C(C[N@@H+]1CCCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000348184425 456521049 /nfs/dbraw/zinc/52/10/49/456521049.db2.gz WWAWFMGISAANIJ-UHFFFAOYSA-N 1 2 337.807 3.453 20 5 EGBDLO O=C(C[N@H+]1CCCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000348184425 456521059 /nfs/dbraw/zinc/52/10/59/456521059.db2.gz WWAWFMGISAANIJ-UHFFFAOYSA-N 1 2 337.807 3.453 20 5 EGBDLO CCCCCC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000299463743 456701439 /nfs/dbraw/zinc/70/14/39/456701439.db2.gz CQRGJJVLWXIOIG-UHFFFAOYSA-N 1 2 339.461 3.317 20 5 EGBDLO CC(C)([NH2+]Cc1nnc(-c2ccco2)o1)c1ccccc1[N+](=O)[O-] ZINC000292189320 456879725 /nfs/dbraw/zinc/87/97/25/456879725.db2.gz RFJKLSCWMSCFEQ-UHFFFAOYSA-N 1 2 328.328 3.263 20 5 EGBDLO CCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000350014874 457143084 /nfs/dbraw/zinc/14/30/84/457143084.db2.gz BNOANOFRWGGIAN-UHFFFAOYSA-N 1 2 342.399 3.481 20 5 EGBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357119255 457333692 /nfs/dbraw/zinc/33/36/92/457333692.db2.gz NFWLZPIHUKXBAT-FZMZJTMJSA-N 1 2 346.412 3.162 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nc(C(F)F)no3)C2)cc1 ZINC000425492587 457576145 /nfs/dbraw/zinc/57/61/45/457576145.db2.gz NUXXOEIFHKUCGK-NSHDSACASA-N 1 2 338.314 3.295 20 5 EGBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3nc(C(F)F)no3)C2)cc1 ZINC000425492587 457576149 /nfs/dbraw/zinc/57/61/49/457576149.db2.gz NUXXOEIFHKUCGK-NSHDSACASA-N 1 2 338.314 3.295 20 5 EGBDLO O=C(c1cccs1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000361516128 457764796 /nfs/dbraw/zinc/76/47/96/457764796.db2.gz NQOTYKVRMMSSQI-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO O=C(c1cccs1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000361516128 457764803 /nfs/dbraw/zinc/76/48/03/457764803.db2.gz NQOTYKVRMMSSQI-UHFFFAOYSA-N 1 2 345.424 3.004 20 5 EGBDLO CCCCOC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000362449714 458187073 /nfs/dbraw/zinc/18/70/73/458187073.db2.gz IGUAXPUNDMAYPT-UHFFFAOYSA-N 1 2 349.431 3.123 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CC=CCC1 ZINC000447806454 458344059 /nfs/dbraw/zinc/34/40/59/458344059.db2.gz MXHPHQNLZVXYOZ-OAHLLOKOSA-N 1 2 331.416 3.195 20 5 EGBDLO C[C@H]1CCC[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817393 458347051 /nfs/dbraw/zinc/34/70/51/458347051.db2.gz NZVSESKPUUIJOA-GOEBONIOSA-N 1 2 333.432 3.418 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459770271 458474548 /nfs/dbraw/zinc/47/45/48/458474548.db2.gz ZUFAMUQCEUCAMR-UHFFFAOYSA-N 1 2 343.358 3.387 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459770271 458474555 /nfs/dbraw/zinc/47/45/55/458474555.db2.gz ZUFAMUQCEUCAMR-UHFFFAOYSA-N 1 2 343.358 3.387 20 5 EGBDLO CCc1cc(NC[C@@H](OC)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000467007389 458942404 /nfs/dbraw/zinc/94/24/04/458942404.db2.gz PLKPVZJZMJYBLI-MRXNPFEDSA-N 1 2 344.415 3.119 20 5 EGBDLO Cc1c[nH+]c(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c(C)c1 ZINC000594595769 459103769 /nfs/dbraw/zinc/10/37/69/459103769.db2.gz KDCBFKLIOJXXCZ-UHFFFAOYSA-N 1 2 340.383 3.146 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000595036186 459224972 /nfs/dbraw/zinc/22/49/72/459224972.db2.gz QHACOJUEEKIOSB-ACJLOTCBSA-N 1 2 341.411 3.441 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000595036186 459224975 /nfs/dbraw/zinc/22/49/75/459224975.db2.gz QHACOJUEEKIOSB-ACJLOTCBSA-N 1 2 341.411 3.441 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CCN2Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000533848277 459273248 /nfs/dbraw/zinc/27/32/48/459273248.db2.gz RWHWGUQSUOENBQ-UHFFFAOYSA-N 1 2 328.759 3.459 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC000595761958 459429969 /nfs/dbraw/zinc/42/99/69/459429969.db2.gz MOMYSXQTGUISOB-GOSISDBHSA-N 1 2 348.349 3.489 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2c2cc(F)cc(F)c2)cc1 ZINC000595761958 459429977 /nfs/dbraw/zinc/42/99/77/459429977.db2.gz MOMYSXQTGUISOB-GOSISDBHSA-N 1 2 348.349 3.489 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000527302906 459625185 /nfs/dbraw/zinc/62/51/85/459625185.db2.gz WYQULUSTCZXFLB-IDGGIGOKSA-N 1 2 334.416 3.124 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000527302906 459625189 /nfs/dbraw/zinc/62/51/89/459625189.db2.gz WYQULUSTCZXFLB-IDGGIGOKSA-N 1 2 334.416 3.124 20 5 EGBDLO COc1ccc(CC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000609009946 459899848 /nfs/dbraw/zinc/89/98/48/459899848.db2.gz GSUOGEFJOOCZNC-UHFFFAOYSA-N 1 2 329.356 3.105 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000576097133 460067913 /nfs/dbraw/zinc/06/79/13/460067913.db2.gz HWWQSGBRFFTNEV-SJORKVTESA-N 1 2 334.416 3.383 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000576097133 460067917 /nfs/dbraw/zinc/06/79/17/460067917.db2.gz HWWQSGBRFFTNEV-SJORKVTESA-N 1 2 334.416 3.383 20 5 EGBDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602693404 460068981 /nfs/dbraw/zinc/06/89/81/460068981.db2.gz LZRYQEUSQMMEKO-RKDXNWHRSA-N 1 2 349.250 3.012 20 5 EGBDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602693404 460068986 /nfs/dbraw/zinc/06/89/86/460068986.db2.gz LZRYQEUSQMMEKO-RKDXNWHRSA-N 1 2 349.250 3.012 20 5 EGBDLO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3CCC[N@@H+]3CC(F)F)c2c1 ZINC000599133100 460170093 /nfs/dbraw/zinc/17/00/93/460170093.db2.gz AKXRHZGGXNECHO-CYBMUJFWSA-N 1 2 336.342 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3CCC[N@H+]3CC(F)F)c2c1 ZINC000599133100 460170098 /nfs/dbraw/zinc/17/00/98/460170098.db2.gz AKXRHZGGXNECHO-CYBMUJFWSA-N 1 2 336.342 3.284 20 5 EGBDLO CCC(O)(CC)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599189479 460193794 /nfs/dbraw/zinc/19/37/94/460193794.db2.gz QOWWOUZPCXAWOP-UHFFFAOYSA-N 1 2 344.415 3.348 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCC(F)(F)C1 ZINC000619154444 460283167 /nfs/dbraw/zinc/28/31/67/460283167.db2.gz AKTUIJNACZYLAW-ZDUSSCGKSA-N 1 2 341.358 3.027 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599621598 460289311 /nfs/dbraw/zinc/28/93/11/460289311.db2.gz BNGYGVWLSSOKBM-JTQLQIEISA-N 1 2 338.314 3.264 20 5 EGBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599621598 460289313 /nfs/dbraw/zinc/28/93/13/460289313.db2.gz BNGYGVWLSSOKBM-JTQLQIEISA-N 1 2 338.314 3.264 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611268299 460322306 /nfs/dbraw/zinc/32/23/06/460322306.db2.gz OOQMFGJYEIANKH-SFHVURJKSA-N 1 2 328.368 3.264 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611268299 460322310 /nfs/dbraw/zinc/32/23/10/460322310.db2.gz OOQMFGJYEIANKH-SFHVURJKSA-N 1 2 328.368 3.264 20 5 EGBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000619566740 460385006 /nfs/dbraw/zinc/38/50/06/460385006.db2.gz CQSDZNRSXMNEQZ-UHFFFAOYSA-N 1 2 333.307 3.043 20 5 EGBDLO O=[N+]([O-])c1cc2c(cc1CNc1c[nH+]c3c(c1)CCCC3)OCCO2 ZINC000611720735 460440239 /nfs/dbraw/zinc/44/02/39/460440239.db2.gz ZQIPXLHHMGVDIG-UHFFFAOYSA-N 1 2 341.367 3.252 20 5 EGBDLO CC[C@@]1(O)CCCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000601234863 460760321 /nfs/dbraw/zinc/76/03/21/460760321.db2.gz YLAJGTDAWMFOJR-GOSISDBHSA-N 1 2 342.399 3.102 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000456387958 517883819 /nfs/dbraw/zinc/88/38/19/517883819.db2.gz NOLVHEMMFNYARW-SNVBAGLBSA-N 1 2 328.328 3.048 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NCCCc2[nH+]c3ccccc3n2C)n1 ZINC000178243579 534326807 /nfs/dbraw/zinc/32/68/07/534326807.db2.gz GCPHVBAZFIRCPN-UHFFFAOYSA-N 1 2 325.372 3.230 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000736813499 576039007 /nfs/dbraw/zinc/03/90/07/576039007.db2.gz NRGNGTFLDNYUCK-UHFFFAOYSA-N 1 2 334.303 3.111 20 5 EGBDLO CCC[C@@]1(C)CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000743404860 576808667 /nfs/dbraw/zinc/80/86/67/576808667.db2.gz XPHYFVXALBDVDD-SFHVURJKSA-N 1 2 345.399 3.051 20 5 EGBDLO CCC[C@@]1(C)CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000743404860 576808668 /nfs/dbraw/zinc/80/86/68/576808668.db2.gz XPHYFVXALBDVDD-SFHVURJKSA-N 1 2 345.399 3.051 20 5 EGBDLO C[C@@H]1SCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000118414560 1293236029 /nfs/dbraw/zinc/23/60/29/1293236029.db2.gz SZPFTAPOOFIXDK-UWVGGRQHSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H]1SCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000118414560 1293236033 /nfs/dbraw/zinc/23/60/33/1293236033.db2.gz SZPFTAPOOFIXDK-UWVGGRQHSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118414557 1293236400 /nfs/dbraw/zinc/23/64/00/1293236400.db2.gz SZPFTAPOOFIXDK-ZJUUUORDSA-N 1 2 343.836 3.013 20 5 EGBDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118414557 1293236408 /nfs/dbraw/zinc/23/64/08/1293236408.db2.gz SZPFTAPOOFIXDK-ZJUUUORDSA-N 1 2 343.836 3.013 20 5 EGBDLO Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000122762310 1293423840 /nfs/dbraw/zinc/42/38/40/1293423840.db2.gz HMMYXKYPEFNZNA-UHFFFAOYSA-N 1 2 334.763 3.270 20 5 EGBDLO CCO[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129279263 1293619248 /nfs/dbraw/zinc/61/92/48/1293619248.db2.gz BAFLFZLMKYGNNJ-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO CCO[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129279263 1293619254 /nfs/dbraw/zinc/61/92/54/1293619254.db2.gz BAFLFZLMKYGNNJ-GFCCVEGCSA-N 1 2 343.221 3.358 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccccc3F)CC2)c2c(c1)COCO2 ZINC000172475091 1294436985 /nfs/dbraw/zinc/43/69/85/1294436985.db2.gz QAWHUTCUPWWDEI-UHFFFAOYSA-N 1 2 344.342 3.379 20 5 EGBDLO CCc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000746593862 1298620355 /nfs/dbraw/zinc/62/03/55/1298620355.db2.gz IPFFRXWDYWZKLL-MRXNPFEDSA-N 1 2 344.415 3.198 20 5 EGBDLO O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754507062 1300156155 /nfs/dbraw/zinc/15/61/55/1300156155.db2.gz XPQGQWBDZGGWGH-UHFFFAOYSA-N 1 2 337.335 3.066 20 5 EGBDLO CCOc1cccc(N2CCC([N@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000762801869 1301752255 /nfs/dbraw/zinc/75/22/55/1301752255.db2.gz RLCCRCUTMLYADX-UHFFFAOYSA-N 1 2 343.374 3.159 20 5 EGBDLO CCOc1cccc(N2CCC([N@@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000762801869 1301752261 /nfs/dbraw/zinc/75/22/61/1301752261.db2.gz RLCCRCUTMLYADX-UHFFFAOYSA-N 1 2 343.374 3.159 20 5 EGBDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCc1ccccc1[N+](=O)[O-] ZINC000766417237 1302448133 /nfs/dbraw/zinc/44/81/33/1302448133.db2.gz TVIFPQDPHOZAOZ-UHFFFAOYSA-N 1 2 340.387 3.144 20 5 EGBDLO CC[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000769030538 1303034446 /nfs/dbraw/zinc/03/44/46/1303034446.db2.gz TXIJRLGZAFRKFQ-LLVKDONJSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000769030538 1303034454 /nfs/dbraw/zinc/03/44/54/1303034454.db2.gz TXIJRLGZAFRKFQ-LLVKDONJSA-N 1 2 343.221 3.358 20 5 EGBDLO Cc1cccc2c1CC[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000769338621 1303095405 /nfs/dbraw/zinc/09/54/05/1303095405.db2.gz MNRUEKNPBJMMCB-UHFFFAOYSA-N 1 2 340.379 3.233 20 5 EGBDLO Cc1cccc2c1CC[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000769338621 1303095409 /nfs/dbraw/zinc/09/54/09/1303095409.db2.gz MNRUEKNPBJMMCB-UHFFFAOYSA-N 1 2 340.379 3.233 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000886204421 1303393982 /nfs/dbraw/zinc/39/39/82/1303393982.db2.gz FCIPJSVWXSFIFX-UHFFFAOYSA-N 1 2 346.818 3.356 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000886204421 1303393990 /nfs/dbraw/zinc/39/39/90/1303393990.db2.gz FCIPJSVWXSFIFX-UHFFFAOYSA-N 1 2 346.818 3.356 20 5 EGBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000776846634 1304210534 /nfs/dbraw/zinc/21/05/34/1304210534.db2.gz DZKCMGOWWQARGJ-UHFFFAOYSA-N 1 2 338.367 3.293 20 5 EGBDLO O=C(OC/C(Cl)=C\Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785678109 1305405263 /nfs/dbraw/zinc/40/52/63/1305405263.db2.gz QKIZKMFNSORTGL-UXBLZVDNSA-N 1 2 342.138 3.256 20 5 EGBDLO CCC(CC)[N@H+](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C1CC1 ZINC000794620202 1309557004 /nfs/dbraw/zinc/55/70/04/1309557004.db2.gz JCKRATKSMHTKOH-UHFFFAOYSA-N 1 2 346.387 3.022 20 5 EGBDLO CCC(CC)[N@@H+](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)C1CC1 ZINC000794620202 1309557007 /nfs/dbraw/zinc/55/70/07/1309557007.db2.gz JCKRATKSMHTKOH-UHFFFAOYSA-N 1 2 346.387 3.022 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H](CC(C)(C)C)OC1=O ZINC000795643855 1309796850 /nfs/dbraw/zinc/79/68/50/1309796850.db2.gz ASJOJHNQTQZDJR-HNNXBMFYSA-N 1 2 349.431 3.284 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H](CC(C)(C)C)OC1=O ZINC000795643855 1309796854 /nfs/dbraw/zinc/79/68/54/1309796854.db2.gz ASJOJHNQTQZDJR-HNNXBMFYSA-N 1 2 349.431 3.284 20 5 EGBDLO CS[C@H](C)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000797203510 1310156639 /nfs/dbraw/zinc/15/66/39/1310156639.db2.gz FGPMRAWPOZQGTI-GHMZBOCLSA-N 1 2 335.385 3.077 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nc(CCCCF)no2)ccc1-n1cc[nH+]c1 ZINC000897211521 1310223861 /nfs/dbraw/zinc/22/38/61/1310223861.db2.gz ZTQVOWKLFAHAEY-UHFFFAOYSA-N 1 2 331.307 3.123 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000799341419 1310530177 /nfs/dbraw/zinc/53/01/77/1310530177.db2.gz OUHOOKZKLXRDID-UHFFFAOYSA-N 1 2 334.685 3.280 20 5 EGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000800865412 1310821539 /nfs/dbraw/zinc/82/15/39/1310821539.db2.gz BJDNUBLQHWLTCL-INIZCTEOSA-N 1 2 349.431 3.284 20 5 EGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000800865412 1310821547 /nfs/dbraw/zinc/82/15/47/1310821547.db2.gz BJDNUBLQHWLTCL-INIZCTEOSA-N 1 2 349.431 3.284 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000805746631 1317416598 /nfs/dbraw/zinc/41/65/98/1317416598.db2.gz DBVXKZFRYJILTL-HNNXBMFYSA-N 1 2 328.328 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000805746631 1317416603 /nfs/dbraw/zinc/41/66/03/1317416603.db2.gz DBVXKZFRYJILTL-HNNXBMFYSA-N 1 2 328.328 3.235 20 5 EGBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000809345775 1317800809 /nfs/dbraw/zinc/80/08/09/1317800809.db2.gz RAPZUTNXJYWYKQ-UHFFFAOYSA-N 1 2 348.353 3.250 20 5 EGBDLO Cc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c(F)cc1[N+](=O)[O-] ZINC000812460960 1318396892 /nfs/dbraw/zinc/39/68/92/1318396892.db2.gz BSOSOGXQXRUASU-UHFFFAOYSA-N 1 2 331.338 3.208 20 5 EGBDLO Cc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c(F)cc1[N+](=O)[O-] ZINC000812460960 1318396900 /nfs/dbraw/zinc/39/69/00/1318396900.db2.gz BSOSOGXQXRUASU-UHFFFAOYSA-N 1 2 331.338 3.208 20 5 EGBDLO Cc1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000816430959 1319154421 /nfs/dbraw/zinc/15/44/21/1319154421.db2.gz NICKSEGTDKDDAE-UHFFFAOYSA-N 1 2 327.296 3.039 20 5 EGBDLO O=[N+]([O-])c1ccc(F)cc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817377589 1319345017 /nfs/dbraw/zinc/34/50/17/1319345017.db2.gz OCVGMUDTBPKQCJ-UHFFFAOYSA-N 1 2 346.358 3.145 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916152513 1319612353 /nfs/dbraw/zinc/61/23/53/1319612353.db2.gz SQPBHBBBEGEESM-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916152513 1319612357 /nfs/dbraw/zinc/61/23/57/1319612357.db2.gz SQPBHBBBEGEESM-AWEZNQCLSA-N 1 2 339.395 3.461 20 5 EGBDLO C[C@@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC2(CCC2)O1 ZINC000842639635 1321411795 /nfs/dbraw/zinc/41/17/95/1321411795.db2.gz LDUMHXLBHLYDKN-CQSZACIVSA-N 1 2 342.399 3.059 20 5 EGBDLO C[C@@H]1C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC2(CCC2)O1 ZINC000842639635 1321411798 /nfs/dbraw/zinc/41/17/98/1321411798.db2.gz LDUMHXLBHLYDKN-CQSZACIVSA-N 1 2 342.399 3.059 20 5 EGBDLO COc1cc(C[NH+]2CCC(c3ncco3)CC2)c([N+](=O)[O-])cc1F ZINC000931446653 1329119708 /nfs/dbraw/zinc/11/97/08/1329119708.db2.gz NVTRGZDARDQKJP-UHFFFAOYSA-N 1 2 335.335 3.110 20 5 EGBDLO CC(C)(C)c1cn(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c[nH+]1 ZINC000865375473 1329689932 /nfs/dbraw/zinc/68/99/32/1329689932.db2.gz VYKPGHGRVGFBNZ-UHFFFAOYSA-N 1 2 327.344 3.187 20 5 EGBDLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC001123454178 1372474977 /nfs/dbraw/zinc/47/49/77/1372474977.db2.gz WJDAJYZGSRJFEB-CZUORRHYSA-N 1 2 343.387 3.215 20 5 EGBDLO O=[N+]([O-])c1cccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1F ZINC001225794676 1375156896 /nfs/dbraw/zinc/15/68/96/1375156896.db2.gz WQYJAQZJBDALSV-HNNXBMFYSA-N 1 2 346.358 3.014 20 5 EGBDLO O=[N+]([O-])c1cccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1F ZINC001225794676 1375156897 /nfs/dbraw/zinc/15/68/97/1375156897.db2.gz WQYJAQZJBDALSV-HNNXBMFYSA-N 1 2 346.358 3.014 20 5 EGBDLO O=C1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC2(CCCC2)N1 ZINC001232228301 1376419913 /nfs/dbraw/zinc/41/99/13/1376419913.db2.gz ONHGCYSIRROISS-UHFFFAOYSA-N 1 2 346.434 3.028 20 5 EGBDLO O=C1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC2(CCCC2)N1 ZINC001232228301 1376419914 /nfs/dbraw/zinc/41/99/14/1376419914.db2.gz ONHGCYSIRROISS-UHFFFAOYSA-N 1 2 346.434 3.028 20 5 EGBDLO CC/C(C)=C/C(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147490892 1379032622 /nfs/dbraw/zinc/03/26/22/1379032622.db2.gz PGGHZJSHKIEJLC-AWNIVKPZSA-N 1 2 349.456 3.047 20 5 EGBDLO CC/C(C)=C/C(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147490892 1379032625 /nfs/dbraw/zinc/03/26/25/1379032625.db2.gz PGGHZJSHKIEJLC-AWNIVKPZSA-N 1 2 349.456 3.047 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1ccc(NCc2ccc3[nH+]ccn3c2)nn1 ZINC001163141101 1382975778 /nfs/dbraw/zinc/97/57/78/1382975778.db2.gz SSZAWEDEXQUKNR-UHFFFAOYSA-N 1 2 346.350 3.312 20 5 EGBDLO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC2C[NH+](C(C)C)C2)n1 ZINC001168311860 1383870952 /nfs/dbraw/zinc/87/09/52/1383870952.db2.gz QOMNJOSDMJTKDG-UHFFFAOYSA-N 1 2 345.856 3.045 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2cscn2)c1F ZINC001173195172 1384934184 /nfs/dbraw/zinc/93/41/84/1384934184.db2.gz CUCVLZZJMDKKQA-JTQLQIEISA-N 1 2 339.392 3.262 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)Cc2cscn2)c1F ZINC001173195172 1384934186 /nfs/dbraw/zinc/93/41/86/1384934186.db2.gz CUCVLZZJMDKKQA-JTQLQIEISA-N 1 2 339.392 3.262 20 5 EGBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)CC1=CCCOC1 ZINC001329910818 1389255506 /nfs/dbraw/zinc/25/55/06/1389255506.db2.gz HRVHGISYVMYKJE-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)CC1=CCCOC1 ZINC001329910818 1389255508 /nfs/dbraw/zinc/25/55/08/1389255508.db2.gz HRVHGISYVMYKJE-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC001332254882 1390065541 /nfs/dbraw/zinc/06/55/41/1390065541.db2.gz XJOQRDBZRMYXID-CXAGYDPISA-N 1 2 337.383 3.427 20 5 EGBDLO COc1c(O)ccc(C[N@H+](C)Cc2ccccc2N(C)C)c1[N+](=O)[O-] ZINC001333763135 1390395512 /nfs/dbraw/zinc/39/55/12/1390395512.db2.gz DNAPJNAEVMIPQJ-UHFFFAOYSA-N 1 2 345.399 3.007 20 5 EGBDLO COc1c(O)ccc(C[N@@H+](C)Cc2ccccc2N(C)C)c1[N+](=O)[O-] ZINC001333763135 1390395516 /nfs/dbraw/zinc/39/55/16/1390395516.db2.gz DNAPJNAEVMIPQJ-UHFFFAOYSA-N 1 2 345.399 3.007 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001341946323 1390553326 /nfs/dbraw/zinc/55/33/26/1390553326.db2.gz SYCPCDIULOKFIL-HNNXBMFYSA-N 1 2 333.432 3.155 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001343603143 1390725806 /nfs/dbraw/zinc/72/58/06/1390725806.db2.gz UZLBEZSVULSDCR-UHFFFAOYSA-N 1 2 343.383 3.144 20 5 EGBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1Br ZINC000051923172 214107544 /nfs/dbraw/zinc/10/75/44/214107544.db2.gz NZZGESNNXFJBSS-UHFFFAOYSA-N 1 2 325.166 3.186 20 5 EGBDLO CC(C)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246282155 243225863 /nfs/dbraw/zinc/22/58/63/243225863.db2.gz ALSQMFTUZQRLJX-HUUCEWRRSA-N 1 2 349.431 3.059 20 5 EGBDLO CC(C)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246282155 243225866 /nfs/dbraw/zinc/22/58/66/243225866.db2.gz ALSQMFTUZQRLJX-HUUCEWRRSA-N 1 2 349.431 3.059 20 5 EGBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184404835 285238960 /nfs/dbraw/zinc/23/89/60/285238960.db2.gz ABQMOPSXIHBGOU-CYBMUJFWSA-N 1 2 338.335 3.121 20 5 EGBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)c1 ZINC000353476178 141305089 /nfs/dbraw/zinc/30/50/89/141305089.db2.gz XLLNGFDMMZJJMQ-UHFFFAOYSA-N 1 2 333.338 3.195 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000178284860 144068433 /nfs/dbraw/zinc/06/84/33/144068433.db2.gz YVQFLLDMLOPUKH-ZDUSSCGKSA-N 1 2 329.404 3.072 20 5 EGBDLO Cc1[nH]nc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000351744490 144300435 /nfs/dbraw/zinc/30/04/35/144300435.db2.gz SGKPGEDISGXBIE-UHFFFAOYSA-N 1 2 339.311 3.066 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341592397 155373125 /nfs/dbraw/zinc/37/31/25/155373125.db2.gz XEVDYGDCALSVMY-LLVKDONJSA-N 1 2 328.294 3.112 20 5 EGBDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000093338213 162003650 /nfs/dbraw/zinc/00/36/50/162003650.db2.gz RJQFTSCQZOKALA-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000093338213 162003655 /nfs/dbraw/zinc/00/36/55/162003655.db2.gz RJQFTSCQZOKALA-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO CC(C)[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000338883791 163374229 /nfs/dbraw/zinc/37/42/29/163374229.db2.gz ORRKFUOGKYIICV-IINYFYTJSA-N 1 2 334.351 3.074 20 5 EGBDLO C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000344189006 164123177 /nfs/dbraw/zinc/12/31/77/164123177.db2.gz QLKQHBAQUDMSAJ-UKRRQHHQSA-N 1 2 342.399 3.479 20 5 EGBDLO C[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000344189007 164123257 /nfs/dbraw/zinc/12/32/57/164123257.db2.gz QLKQHBAQUDMSAJ-ZFWWWQNUSA-N 1 2 342.399 3.479 20 5 EGBDLO COc1cc(-c2nc(Cc3ccc(C)[nH+]c3)no2)cc([N+](=O)[O-])c1C ZINC000346165909 164354191 /nfs/dbraw/zinc/35/41/91/164354191.db2.gz FUNVRSHWXCELCY-UHFFFAOYSA-N 1 2 340.339 3.256 20 5 EGBDLO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000355532693 166233792 /nfs/dbraw/zinc/23/37/92/166233792.db2.gz CLJXFZGTPLWMML-UHFFFAOYSA-N 1 2 325.328 3.319 20 5 EGBDLO Cc1c(C[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000177389146 265251103 /nfs/dbraw/zinc/25/11/03/265251103.db2.gz RRWWYQCAYFBVAD-QGZVFWFLSA-N 1 2 347.802 3.047 20 5 EGBDLO Cc1cc(N2CCC[C@H]2C[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269896735 266377633 /nfs/dbraw/zinc/37/76/33/266377633.db2.gz SDTWIADBSXYPJI-BBRMVZONSA-N 1 2 342.399 3.100 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000274326520 267218503 /nfs/dbraw/zinc/21/85/03/267218503.db2.gz VGDZJKYPVCQPJB-ZDUSSCGKSA-N 1 2 332.429 3.243 20 5 EGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC(n2cc[nH+]c2)CC1 ZINC000278435146 268012127 /nfs/dbraw/zinc/01/21/27/268012127.db2.gz PYPSQNWMVHCQER-UHFFFAOYSA-N 1 2 341.293 3.047 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC2(CCOCC2)O1 ZINC000279868017 275367798 /nfs/dbraw/zinc/36/77/98/275367798.db2.gz SXVLPJAZCFJHFZ-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC2(CCOCC2)O1 ZINC000279868017 275367800 /nfs/dbraw/zinc/36/78/00/275367800.db2.gz SXVLPJAZCFJHFZ-GFCCVEGCSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279957682 275381871 /nfs/dbraw/zinc/38/18/71/275381871.db2.gz YDXNFVZKGOTPJO-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279957682 275381872 /nfs/dbraw/zinc/38/18/72/275381872.db2.gz YDXNFVZKGOTPJO-HSMVNMDESA-N 1 2 340.807 3.017 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000281481735 275552610 /nfs/dbraw/zinc/55/26/10/275552610.db2.gz DFHPTFAXKNLWLX-HNNXBMFYSA-N 1 2 328.372 3.179 20 5 EGBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281747519 275572779 /nfs/dbraw/zinc/57/27/79/275572779.db2.gz JPSUZRJOQJGMQY-HNNXBMFYSA-N 1 2 342.399 3.487 20 5 EGBDLO C[C@H](O)c1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000289222776 276306602 /nfs/dbraw/zinc/30/66/02/276306602.db2.gz XTZQMBOFCQUPFF-NSHDSACASA-N 1 2 333.413 3.269 20 5 EGBDLO C[C@H](O)c1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000289222776 276306604 /nfs/dbraw/zinc/30/66/04/276306604.db2.gz XTZQMBOFCQUPFF-NSHDSACASA-N 1 2 333.413 3.269 20 5 EGBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000290047834 276439537 /nfs/dbraw/zinc/43/95/37/276439537.db2.gz RLSUHIDYFSLTDW-UHFFFAOYSA-N 1 2 347.198 3.241 20 5 EGBDLO COc1cc(C[N@@H+]2CCN(C)c3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000361915430 277376885 /nfs/dbraw/zinc/37/68/85/277376885.db2.gz VZRFJNPGBFSTTC-UHFFFAOYSA-N 1 2 345.374 3.195 20 5 EGBDLO COc1cc(C[N@H+]2CCN(C)c3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000361915430 277376886 /nfs/dbraw/zinc/37/68/86/277376886.db2.gz VZRFJNPGBFSTTC-UHFFFAOYSA-N 1 2 345.374 3.195 20 5 EGBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000414309236 309072239 /nfs/dbraw/zinc/07/22/39/309072239.db2.gz JCWBIAKXUIDVCM-BZUAXINKSA-N 1 2 332.379 3.288 20 5 EGBDLO CC(C)C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000301794093 308715649 /nfs/dbraw/zinc/71/56/49/308715649.db2.gz PNSCWHCGAGUBOG-ZDUSSCGKSA-N 1 2 343.374 3.032 20 5 EGBDLO O=[N+]([O-])c1cnc(N2CCC(n3cc[nH+]c3)CC2)c(C(F)(F)F)c1 ZINC000413111983 309016715 /nfs/dbraw/zinc/01/67/15/309016715.db2.gz WOWDQJVSMSYWKY-UHFFFAOYSA-N 1 2 341.293 3.047 20 5 EGBDLO CCO[C@H]1C[C@](O)(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000413267675 309024207 /nfs/dbraw/zinc/02/42/07/309024207.db2.gz QTZZHXZCHNYASP-YJBOKZPZSA-N 1 2 345.399 3.121 20 5 EGBDLO CC[C@@H]1C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](CC)O1 ZINC000420957758 309304431 /nfs/dbraw/zinc/30/44/31/309304431.db2.gz ZUALCAKMMLPJKZ-HUUCEWRRSA-N 1 2 346.387 3.034 20 5 EGBDLO CN(Cc1cccs1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447808806 309989259 /nfs/dbraw/zinc/98/92/59/309989259.db2.gz YQLUOSWGEQYLJS-UHFFFAOYSA-N 1 2 347.440 3.125 20 5 EGBDLO CC(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448840217 310020422 /nfs/dbraw/zinc/02/04/22/310020422.db2.gz JDXJBERWDLXEDQ-HNNXBMFYSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449937980 310095015 /nfs/dbraw/zinc/09/50/15/310095015.db2.gz HXDBPKMOMNILGW-UONOGXRCSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@H]1CCC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449937978 310095062 /nfs/dbraw/zinc/09/50/62/310095062.db2.gz HXDBPKMOMNILGW-KBPBESRZSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000450829757 310144753 /nfs/dbraw/zinc/14/47/53/310144753.db2.gz NCENPNDISDUTOE-XVKPBYJWSA-N 1 2 338.165 3.067 20 5 EGBDLO COc1ccc(CCC[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000510467633 312141382 /nfs/dbraw/zinc/14/13/82/312141382.db2.gz PIKLDEHVVNUGTK-UHFFFAOYSA-N 1 2 330.384 3.374 20 5 EGBDLO COc1ccc(CCC[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000510467633 312141384 /nfs/dbraw/zinc/14/13/84/312141384.db2.gz PIKLDEHVVNUGTK-UHFFFAOYSA-N 1 2 330.384 3.374 20 5 EGBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000513117580 312202111 /nfs/dbraw/zinc/20/21/11/312202111.db2.gz UBOLYBUNCWIINK-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000513117580 312202113 /nfs/dbraw/zinc/20/21/13/312202113.db2.gz UBOLYBUNCWIINK-UHFFFAOYSA-N 1 2 332.356 3.238 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000514736179 312242602 /nfs/dbraw/zinc/24/26/02/312242602.db2.gz IDDGDBRYCSWHIJ-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCCOC2)O1 ZINC000514736179 312242606 /nfs/dbraw/zinc/24/26/06/312242606.db2.gz IDDGDBRYCSWHIJ-MLGOLLRUSA-N 1 2 340.807 3.018 20 5 EGBDLO CC1(C)CC(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000516620764 312333409 /nfs/dbraw/zinc/33/34/09/312333409.db2.gz FUDSJTDIGWVSCX-UHFFFAOYSA-N 1 2 333.432 3.275 20 5 EGBDLO C[C@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])cc3F)c[nH+]2)C[C@H](C)O1 ZINC000530374890 313526126 /nfs/dbraw/zinc/52/61/26/313526126.db2.gz CXUXEOMXRRIQRF-RYUDHWBXSA-N 1 2 346.362 3.486 20 5 EGBDLO CC[C@@H]1CO[C@H](C)CN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535234689 314033891 /nfs/dbraw/zinc/03/38/91/314033891.db2.gz VCBRESFMRSUMKT-UKRRQHHQSA-N 1 2 342.399 3.364 20 5 EGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(C)c[nH+]1 ZINC000551897969 315175897 /nfs/dbraw/zinc/17/58/97/315175897.db2.gz CSJCGNBHQCOYKR-UHFFFAOYSA-N 1 2 339.273 3.300 20 5 EGBDLO Cc1nc(NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1[N+](=O)[O-] ZINC000565226230 316294489 /nfs/dbraw/zinc/29/44/89/316294489.db2.gz ITEVTLXGOJGMKQ-UHFFFAOYSA-N 1 2 337.383 3.096 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000281234864 456173217 /nfs/dbraw/zinc/17/32/17/456173217.db2.gz LGEXOTXYGUEUQP-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000281234864 456173227 /nfs/dbraw/zinc/17/32/27/456173227.db2.gz LGEXOTXYGUEUQP-LBPRGKRZSA-N 1 2 343.221 3.358 20 5 EGBDLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402592 457536877 /nfs/dbraw/zinc/53/68/77/457536877.db2.gz IVEUQDKMENLJMV-GWCFXTLKSA-N 1 2 343.221 3.093 20 5 EGBDLO Cc1noc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595330407 459278116 /nfs/dbraw/zinc/27/81/16/459278116.db2.gz ATCTYGKVLPDGMM-KNVOCYPGSA-N 1 2 347.215 3.064 20 5 EGBDLO Cc1noc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595330407 459278126 /nfs/dbraw/zinc/27/81/26/459278126.db2.gz ATCTYGKVLPDGMM-KNVOCYPGSA-N 1 2 347.215 3.064 20 5 EGBDLO Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000264758821 455277171 /nfs/dbraw/zinc/27/71/71/455277171.db2.gz SYCUMOQQRIHVDE-GFCCVEGCSA-N 1 2 329.360 3.038 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000265387504 455317044 /nfs/dbraw/zinc/31/70/44/455317044.db2.gz FCPWBJQVAFLHQT-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000265387504 455317046 /nfs/dbraw/zinc/31/70/46/455317046.db2.gz FCPWBJQVAFLHQT-NWDGAFQWSA-N 1 2 338.713 3.136 20 5 EGBDLO Cc1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346156 453797781 /nfs/dbraw/zinc/79/77/81/453797781.db2.gz VLVGALAEHGTEAG-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO Cc1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000026346156 453797782 /nfs/dbraw/zinc/79/77/82/453797782.db2.gz VLVGALAEHGTEAG-UHFFFAOYSA-N 1 2 327.384 3.282 20 5 EGBDLO COc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032478484 453875135 /nfs/dbraw/zinc/87/51/35/453875135.db2.gz YUFILRPHWGWUCW-UHFFFAOYSA-N 1 2 338.323 3.041 20 5 EGBDLO CCc1cc(NC[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053575712 453889044 /nfs/dbraw/zinc/88/90/44/453889044.db2.gz MLCLHHRPRUNODD-CYBMUJFWSA-N 1 2 342.399 3.453 20 5 EGBDLO Cc1occc1C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000055054831 453959022 /nfs/dbraw/zinc/95/90/22/453959022.db2.gz AWSBYMWVABUEDK-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO Cc1occc1C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000055054831 453959027 /nfs/dbraw/zinc/95/90/27/453959027.db2.gz AWSBYMWVABUEDK-UHFFFAOYSA-N 1 2 328.328 3.178 20 5 EGBDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000057622907 454138677 /nfs/dbraw/zinc/13/86/77/454138677.db2.gz IIPHLDRYSBKTBI-QGZVFWFLSA-N 1 2 343.383 3.137 20 5 EGBDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000057622907 454138681 /nfs/dbraw/zinc/13/86/81/454138681.db2.gz IIPHLDRYSBKTBI-QGZVFWFLSA-N 1 2 343.383 3.137 20 5 EGBDLO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](CC)C(=O)OCC ZINC000616815650 460630167 /nfs/dbraw/zinc/63/01/67/460630167.db2.gz DAGHIYOCHWIYNW-CQSZACIVSA-N 1 2 349.387 3.290 20 5 EGBDLO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](CC)C(=O)OCC ZINC000616815650 460630171 /nfs/dbraw/zinc/63/01/71/460630171.db2.gz DAGHIYOCHWIYNW-CQSZACIVSA-N 1 2 349.387 3.290 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090113242 454282045 /nfs/dbraw/zinc/28/20/45/454282045.db2.gz IHOIEHBBJHNVKF-UHFFFAOYSA-N 1 2 337.383 3.380 20 5 EGBDLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000097163057 454419001 /nfs/dbraw/zinc/41/90/01/454419001.db2.gz XNDWEVRYYCJPAC-MLGOLLRUSA-N 1 2 343.387 3.215 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133860762 454476913 /nfs/dbraw/zinc/47/69/13/454476913.db2.gz ZMNDZNLWGDDQHJ-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133860762 454476916 /nfs/dbraw/zinc/47/69/16/454476916.db2.gz ZMNDZNLWGDDQHJ-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000065011343 454523093 /nfs/dbraw/zinc/52/30/93/454523093.db2.gz JBPUQKGHOXCPGY-UHFFFAOYSA-N 1 2 328.353 3.309 20 5 EGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000123072131 454599942 /nfs/dbraw/zinc/59/99/42/454599942.db2.gz YIMCCUSRTJJHIY-MNOVXSKESA-N 1 2 325.796 3.165 20 5 EGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000123072131 454599946 /nfs/dbraw/zinc/59/99/46/454599946.db2.gz YIMCCUSRTJJHIY-MNOVXSKESA-N 1 2 325.796 3.165 20 5 EGBDLO COc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000051287492 454618088 /nfs/dbraw/zinc/61/80/88/454618088.db2.gz ANHNKFZWKVOVIU-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000051689163 454634745 /nfs/dbraw/zinc/63/47/45/454634745.db2.gz DXZADMLJPKXLFX-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000051689163 454634748 /nfs/dbraw/zinc/63/47/48/454634748.db2.gz DXZADMLJPKXLFX-SFHVURJKSA-N 1 2 346.358 3.186 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000051688935 454634955 /nfs/dbraw/zinc/63/49/55/454634955.db2.gz PEDMTLIWYROBAP-SFHVURJKSA-N 1 2 346.358 3.316 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000051688935 454634961 /nfs/dbraw/zinc/63/49/61/454634961.db2.gz PEDMTLIWYROBAP-SFHVURJKSA-N 1 2 346.358 3.316 20 5 EGBDLO CC(C)(C)CCNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135224144 454648585 /nfs/dbraw/zinc/64/85/85/454648585.db2.gz YQNJQEYDGDIGFT-UHFFFAOYSA-N 1 2 333.432 3.112 20 5 EGBDLO CC(C)(C)CCNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135224144 454648590 /nfs/dbraw/zinc/64/85/90/454648590.db2.gz YQNJQEYDGDIGFT-UHFFFAOYSA-N 1 2 333.432 3.112 20 5 EGBDLO O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000124432033 454731932 /nfs/dbraw/zinc/73/19/32/454731932.db2.gz GAHNMGBIMIEKDZ-UHFFFAOYSA-N 1 2 338.323 3.002 20 5 EGBDLO Cc1cc(N(C)C[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000107675122 454768032 /nfs/dbraw/zinc/76/80/32/454768032.db2.gz WSKUJASJCDQROM-CQSZACIVSA-N 1 2 342.399 3.223 20 5 EGBDLO CCOC(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000124930815 454783722 /nfs/dbraw/zinc/78/37/22/454783722.db2.gz IBFMLCVAUYULRT-UHFFFAOYSA-N 1 2 326.780 3.023 20 5 EGBDLO Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000127062373 454934689 /nfs/dbraw/zinc/93/46/89/454934689.db2.gz YXQCGQNSUOMZOT-BBRMVZONSA-N 1 2 343.387 3.215 20 5 EGBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127575008 454978473 /nfs/dbraw/zinc/97/84/73/454978473.db2.gz ASYHWFOSQJIEHX-GFCCVEGCSA-N 1 2 329.356 3.049 20 5 EGBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127575008 454978475 /nfs/dbraw/zinc/97/84/75/454978475.db2.gz ASYHWFOSQJIEHX-GFCCVEGCSA-N 1 2 329.356 3.049 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000116279152 455050583 /nfs/dbraw/zinc/05/05/83/455050583.db2.gz NEGHVNQQTABXLX-PWSUYJOCSA-N 1 2 338.713 3.136 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000116279152 455050586 /nfs/dbraw/zinc/05/05/86/455050586.db2.gz NEGHVNQQTABXLX-PWSUYJOCSA-N 1 2 338.713 3.136 20 5 EGBDLO C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172652139 455168140 /nfs/dbraw/zinc/16/81/40/455168140.db2.gz CTSRXVFMSIXRAI-QWHCGFSZSA-N 1 2 328.372 3.041 20 5 EGBDLO Cc1c([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000157533708 455204961 /nfs/dbraw/zinc/20/49/61/455204961.db2.gz PUYWMLZUALQEOI-CYBMUJFWSA-N 1 2 329.404 3.072 20 5 EGBDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000175260827 455431872 /nfs/dbraw/zinc/43/18/72/455431872.db2.gz WMCKQMDXPDHSFX-WDEREUQCSA-N 1 2 334.401 3.038 20 5 EGBDLO CCOC[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000267040435 455495954 /nfs/dbraw/zinc/49/59/54/455495954.db2.gz COHVNXSDKWDQER-CQSZACIVSA-N 1 2 342.399 3.223 20 5 EGBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)oc1C ZINC000267079659 455498420 /nfs/dbraw/zinc/49/84/20/455498420.db2.gz XNMVFUBCNDLKKO-UHFFFAOYSA-N 1 2 336.319 3.054 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)oc1C ZINC000267079659 455498421 /nfs/dbraw/zinc/49/84/21/455498421.db2.gz XNMVFUBCNDLKKO-UHFFFAOYSA-N 1 2 336.319 3.054 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000185217658 455523759 /nfs/dbraw/zinc/52/37/59/455523759.db2.gz QOBGFECPRARCKO-AWEZNQCLSA-N 1 2 342.399 3.263 20 5 EGBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292312218 455625551 /nfs/dbraw/zinc/62/55/51/455625551.db2.gz NKLHEZQHDGOPPI-OKILXGFUSA-N 1 2 333.432 3.062 20 5 EGBDLO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000292312218 455625554 /nfs/dbraw/zinc/62/55/54/455625554.db2.gz NKLHEZQHDGOPPI-OKILXGFUSA-N 1 2 333.432 3.062 20 5 EGBDLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@@]1=O ZINC000277679151 455632406 /nfs/dbraw/zinc/63/24/06/455632406.db2.gz QEBCEMCUZLRHLZ-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[S@@]1=O ZINC000277679151 455632414 /nfs/dbraw/zinc/63/24/14/455632414.db2.gz QEBCEMCUZLRHLZ-RZFZLAGVSA-N 1 2 348.424 3.198 20 5 EGBDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292420638 455658297 /nfs/dbraw/zinc/65/82/97/455658297.db2.gz VFTSAPBAOUBUOR-CYBMUJFWSA-N 1 2 331.372 3.264 20 5 EGBDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292420638 455658302 /nfs/dbraw/zinc/65/83/02/455658302.db2.gz VFTSAPBAOUBUOR-CYBMUJFWSA-N 1 2 331.372 3.264 20 5 EGBDLO C[N@H+](CCOCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194065817 455797719 /nfs/dbraw/zinc/79/77/19/455797719.db2.gz IGWCVXFWROCMJC-UHFFFAOYSA-N 1 2 345.355 3.152 20 5 EGBDLO C[N@@H+](CCOCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194065817 455797722 /nfs/dbraw/zinc/79/77/22/455797722.db2.gz IGWCVXFWROCMJC-UHFFFAOYSA-N 1 2 345.355 3.152 20 5 EGBDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174678 455811767 /nfs/dbraw/zinc/81/17/67/455811767.db2.gz SHBOZORFPYTOLG-HOCLYGCPSA-N 1 2 333.432 3.064 20 5 EGBDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174678 455811773 /nfs/dbraw/zinc/81/17/73/455811773.db2.gz SHBOZORFPYTOLG-HOCLYGCPSA-N 1 2 333.432 3.064 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332482067 456081746 /nfs/dbraw/zinc/08/17/46/456081746.db2.gz WZPCFHNRJCHZRB-UHFFFAOYSA-N 1 2 342.399 3.263 20 5 EGBDLO Cc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301439843 456116333 /nfs/dbraw/zinc/11/63/33/456116333.db2.gz MEEDHKJRBOCCPY-IBGZPJMESA-N 1 2 341.411 3.389 20 5 EGBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271217403 456179026 /nfs/dbraw/zinc/17/90/26/456179026.db2.gz XICLUQLLQNTMKX-RSPPDBIESA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000271217403 456179030 /nfs/dbraw/zinc/17/90/30/456179030.db2.gz XICLUQLLQNTMKX-RSPPDBIESA-N 1 2 348.424 3.196 20 5 EGBDLO CCC1(O)CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000271217571 456179443 /nfs/dbraw/zinc/17/94/43/456179443.db2.gz XSOFFNAMNOCWMK-UHFFFAOYSA-N 1 2 343.221 3.094 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(NCC[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000301763811 456208365 /nfs/dbraw/zinc/20/83/65/456208365.db2.gz CLJYVRQEXSBPHA-UHFFFAOYSA-N 1 2 339.367 3.405 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(NCC[N@H+]2CCc3sccc3C2)c(F)c1 ZINC000301763811 456208373 /nfs/dbraw/zinc/20/83/73/456208373.db2.gz CLJYVRQEXSBPHA-UHFFFAOYSA-N 1 2 339.367 3.405 20 5 EGBDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000263748939 456211115 /nfs/dbraw/zinc/21/11/15/456211115.db2.gz SDNYQMGXORPSPM-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(Nc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000301784940 456213088 /nfs/dbraw/zinc/21/30/88/456213088.db2.gz LCKGVQYRVPNHAN-UHFFFAOYSA-N 1 2 349.337 3.449 20 5 EGBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1[C@H]1CCCO1 ZINC000290016300 456215941 /nfs/dbraw/zinc/21/59/41/456215941.db2.gz ZVZYFSILDPCOFJ-GDBMZVCRSA-N 1 2 331.372 3.125 20 5 EGBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1[C@H]1CCCO1 ZINC000290016300 456215949 /nfs/dbraw/zinc/21/59/49/456215949.db2.gz ZVZYFSILDPCOFJ-GDBMZVCRSA-N 1 2 331.372 3.125 20 5 EGBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1[C@@H]1CCCO1 ZINC000290016309 456216190 /nfs/dbraw/zinc/21/61/90/456216190.db2.gz ZVZYFSILDPCOFJ-HOCLYGCPSA-N 1 2 331.372 3.125 20 5 EGBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1[C@@H]1CCCO1 ZINC000290016309 456216197 /nfs/dbraw/zinc/21/61/97/456216197.db2.gz ZVZYFSILDPCOFJ-HOCLYGCPSA-N 1 2 331.372 3.125 20 5 EGBDLO CC1(C)C[N@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000337620644 456430028 /nfs/dbraw/zinc/43/00/28/456430028.db2.gz ACABHFQEGBIPMJ-UHFFFAOYSA-N 1 2 347.337 3.136 20 5 EGBDLO CC1(C)C[N@@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000337620644 456430034 /nfs/dbraw/zinc/43/00/34/456430034.db2.gz ACABHFQEGBIPMJ-UHFFFAOYSA-N 1 2 347.337 3.136 20 5 EGBDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283027181 456694031 /nfs/dbraw/zinc/69/40/31/456694031.db2.gz HIMLAFWOOZWYOZ-JQWIXIFHSA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283027181 456694038 /nfs/dbraw/zinc/69/40/38/456694038.db2.gz HIMLAFWOOZWYOZ-JQWIXIFHSA-N 1 2 343.221 3.093 20 5 EGBDLO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299476833 456704682 /nfs/dbraw/zinc/70/46/82/456704682.db2.gz BUYQBCXLALWCHB-CQSZACIVSA-N 1 2 339.355 3.167 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299493210 456710221 /nfs/dbraw/zinc/71/02/21/456710221.db2.gz GKQLYXLCBVUINC-ZDUSSCGKSA-N 1 2 334.763 3.339 20 5 EGBDLO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000348548572 456758001 /nfs/dbraw/zinc/75/80/01/456758001.db2.gz QLSOYBROKRANEG-PAPQTNMZSA-N 1 2 336.457 3.230 20 5 EGBDLO CC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000348548572 456758006 /nfs/dbraw/zinc/75/80/06/456758006.db2.gz QLSOYBROKRANEG-PAPQTNMZSA-N 1 2 336.457 3.230 20 5 EGBDLO C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301157709 456809034 /nfs/dbraw/zinc/80/90/34/456809034.db2.gz ASVXYQNVFMMWCD-QWRGUYRKSA-N 1 2 347.337 3.135 20 5 EGBDLO COc1ccc(-c2ccc(C[N@@H+]3CCOCC34CC4)o2)c([N+](=O)[O-])c1 ZINC000338997554 456892276 /nfs/dbraw/zinc/89/22/76/456892276.db2.gz OLSDCLDODRBQDY-UHFFFAOYSA-N 1 2 344.367 3.228 20 5 EGBDLO COc1ccc(-c2ccc(C[N@H+]3CCOCC34CC4)o2)c([N+](=O)[O-])c1 ZINC000338997554 456892280 /nfs/dbraw/zinc/89/22/80/456892280.db2.gz OLSDCLDODRBQDY-UHFFFAOYSA-N 1 2 344.367 3.228 20 5 EGBDLO COc1cc[nH+]cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000353850381 456935381 /nfs/dbraw/zinc/93/53/81/456935381.db2.gz WMVBAQRSZVNAQA-JTQLQIEISA-N 1 2 333.369 3.118 20 5 EGBDLO CC1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000339148967 456964243 /nfs/dbraw/zinc/96/42/43/456964243.db2.gz OXLGEXDMDKXPMS-UHFFFAOYSA-N 1 2 328.372 3.043 20 5 EGBDLO Cc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc(C)c1O ZINC000356532889 457040760 /nfs/dbraw/zinc/04/07/60/457040760.db2.gz UBBCDPHEVBBVTG-UHFFFAOYSA-N 1 2 328.368 3.312 20 5 EGBDLO Cc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc(C)c1O ZINC000356532889 457040763 /nfs/dbraw/zinc/04/07/63/457040763.db2.gz UBBCDPHEVBBVTG-UHFFFAOYSA-N 1 2 328.368 3.312 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000356556992 457054444 /nfs/dbraw/zinc/05/44/44/457054444.db2.gz ZZFXPBUVLIVEEY-UHFFFAOYSA-N 1 2 334.401 3.092 20 5 EGBDLO CC(C)(C)C(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000330677738 457068593 /nfs/dbraw/zinc/06/85/93/457068593.db2.gz BSCHCOOBVQOHQW-UHFFFAOYSA-N 1 2 333.432 3.064 20 5 EGBDLO CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000330677738 457068597 /nfs/dbraw/zinc/06/85/97/457068597.db2.gz BSCHCOOBVQOHQW-UHFFFAOYSA-N 1 2 333.432 3.064 20 5 EGBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342030726 457069199 /nfs/dbraw/zinc/06/91/99/457069199.db2.gz BXKRGRNTAGYARP-UHFFFAOYSA-N 1 2 340.314 3.054 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc[nH+]c2ccncc12 ZINC000349867857 457085665 /nfs/dbraw/zinc/08/56/65/457085665.db2.gz KTOGTEJQPNWFQX-UHFFFAOYSA-N 1 2 328.759 3.268 20 5 EGBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]cn1C ZINC000356799120 457172107 /nfs/dbraw/zinc/17/21/07/457172107.db2.gz HCKPZTPGNJLDQS-UHFFFAOYSA-N 1 2 348.428 3.006 20 5 EGBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1Cl ZINC000356803922 457174677 /nfs/dbraw/zinc/17/46/77/457174677.db2.gz JOJKJDLVBDAIBT-QMMMGPOBSA-N 1 2 329.187 3.486 20 5 EGBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000356918098 457217846 /nfs/dbraw/zinc/21/78/46/457217846.db2.gz MYMRFJHYSVHMLU-SNVBAGLBSA-N 1 2 328.328 3.397 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(CC(F)(F)F)no2)cc1[N+](=O)[O-] ZINC000342328892 457240261 /nfs/dbraw/zinc/24/02/61/457240261.db2.gz VDFIXULQAULCDU-SECBINFHSA-N 1 2 344.293 3.242 20 5 EGBDLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425402592 457536875 /nfs/dbraw/zinc/53/68/75/457536875.db2.gz IVEUQDKMENLJMV-GWCFXTLKSA-N 1 2 343.221 3.093 20 5 EGBDLO CC(C)[N@H+](Cc1nc(C(F)F)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000425411222 457540025 /nfs/dbraw/zinc/54/00/25/457540025.db2.gz YDTHLUGTDUYSQP-UHFFFAOYSA-N 1 2 326.303 3.326 20 5 EGBDLO CC(C)[N@@H+](Cc1nc(C(F)F)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000425411222 457540035 /nfs/dbraw/zinc/54/00/35/457540035.db2.gz YDTHLUGTDUYSQP-UHFFFAOYSA-N 1 2 326.303 3.326 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000366899852 457908300 /nfs/dbraw/zinc/90/83/00/457908300.db2.gz IIIGQHJDUKEBAR-QGZVFWFLSA-N 1 2 348.786 3.008 20 5 EGBDLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000436029160 458239401 /nfs/dbraw/zinc/23/94/01/458239401.db2.gz RGZZZUJXVZWOKE-UHFFFAOYSA-N 1 2 332.310 3.277 20 5 EGBDLO Cc1c(C[N@H+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000429393404 458328447 /nfs/dbraw/zinc/32/84/47/458328447.db2.gz KHKOGZNUHTYVGK-OKILXGFUSA-N 1 2 347.459 3.371 20 5 EGBDLO Cc1c(C[N@@H+]2[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000429393404 458328451 /nfs/dbraw/zinc/32/84/51/458328451.db2.gz KHKOGZNUHTYVGK-OKILXGFUSA-N 1 2 347.459 3.371 20 5 EGBDLO CC(C)C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447806743 458345172 /nfs/dbraw/zinc/34/51/72/458345172.db2.gz NYRIPRAMQSKPKL-QGZVFWFLSA-N 1 2 347.459 3.299 20 5 EGBDLO CCC1(C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447812947 458345992 /nfs/dbraw/zinc/34/59/92/458345992.db2.gz UBGLWLNLWBMMDD-UHFFFAOYSA-N 1 2 347.459 3.444 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437572733 458468502 /nfs/dbraw/zinc/46/85/02/458468502.db2.gz XAJAJNXBIQNORT-GUYCJALGSA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437572733 458468504 /nfs/dbraw/zinc/46/85/04/458468504.db2.gz XAJAJNXBIQNORT-GUYCJALGSA-N 1 2 325.368 3.369 20 5 EGBDLO CCC(=O)c1ccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000373552438 458529915 /nfs/dbraw/zinc/52/99/15/458529915.db2.gz RFNJJMSAXPFRJV-DYVFJYSZSA-N 1 2 342.399 3.472 20 5 EGBDLO COc1cc[nH+]cc1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000431402866 458567395 /nfs/dbraw/zinc/56/73/95/458567395.db2.gz CLBKRNJTHYSTPV-UHFFFAOYSA-N 1 2 338.161 3.373 20 5 EGBDLO CN(CCc1ccccc1[N+](=O)[O-])c1[nH+]c2ccc(F)cc2n1C ZINC000431421721 458570803 /nfs/dbraw/zinc/57/08/03/458570803.db2.gz LMMRVMQTIVLVKQ-UHFFFAOYSA-N 1 2 328.347 3.300 20 5 EGBDLO CC(C)CN(C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000441227108 458904464 /nfs/dbraw/zinc/90/44/64/458904464.db2.gz GWJUTUJCSSEIBI-UHFFFAOYSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)CN(C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)C ZINC000441227108 458904472 /nfs/dbraw/zinc/90/44/72/458904472.db2.gz GWJUTUJCSSEIBI-UHFFFAOYSA-N 1 2 347.459 3.452 20 5 EGBDLO C[C@@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000519803253 459007076 /nfs/dbraw/zinc/00/70/76/459007076.db2.gz PXQGVOKFPUQURG-IUODEOHRSA-N 1 2 328.372 3.175 20 5 EGBDLO Cc1cc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590135213 459091410 /nfs/dbraw/zinc/09/14/10/459091410.db2.gz CUCYEAWXVJLZCP-UHFFFAOYSA-N 1 2 329.278 3.033 20 5 EGBDLO CNc1ccc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1[N+](=O)[O-] ZINC000522863131 459268036 /nfs/dbraw/zinc/26/80/36/459268036.db2.gz YRBXEOCCXZIBFJ-UHFFFAOYSA-N 1 2 337.339 3.279 20 5 EGBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595481494 459318893 /nfs/dbraw/zinc/31/88/93/459318893.db2.gz OJYXAKWFEBPZQG-ZDUSSCGKSA-N 1 2 339.779 3.364 20 5 EGBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595481494 459318899 /nfs/dbraw/zinc/31/88/99/459318899.db2.gz OJYXAKWFEBPZQG-ZDUSSCGKSA-N 1 2 339.779 3.364 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000595658804 459385636 /nfs/dbraw/zinc/38/56/36/459385636.db2.gz WCSIVXGQBNONDD-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000595658804 459385643 /nfs/dbraw/zinc/38/56/43/459385643.db2.gz WCSIVXGQBNONDD-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000569343082 459434798 /nfs/dbraw/zinc/43/47/98/459434798.db2.gz RNDKZDMIQASKRE-ZFWWWQNUSA-N 1 2 340.383 3.185 20 5 EGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596079845 459510923 /nfs/dbraw/zinc/51/09/23/459510923.db2.gz ZRELYFANVLWQIK-VIFPVBQESA-N 1 2 325.166 3.054 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCC2)O1 ZINC000592191155 459547451 /nfs/dbraw/zinc/54/74/51/459547451.db2.gz AQRRYCKTRUJQJR-GFCCVEGCSA-N 1 2 331.372 3.270 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCC2)O1 ZINC000592191155 459547457 /nfs/dbraw/zinc/54/74/57/459547457.db2.gz AQRRYCKTRUJQJR-GFCCVEGCSA-N 1 2 331.372 3.270 20 5 EGBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCC2)O1 ZINC000592191156 459547966 /nfs/dbraw/zinc/54/79/66/459547966.db2.gz AQRRYCKTRUJQJR-LBPRGKRZSA-N 1 2 331.372 3.270 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCCC2)O1 ZINC000592191156 459547969 /nfs/dbraw/zinc/54/79/69/459547969.db2.gz AQRRYCKTRUJQJR-LBPRGKRZSA-N 1 2 331.372 3.270 20 5 EGBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593057724 459759800 /nfs/dbraw/zinc/75/98/00/459759800.db2.gz HGBMILMOMTZYSB-CYBMUJFWSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593057724 459759806 /nfs/dbraw/zinc/75/98/06/459759806.db2.gz HGBMILMOMTZYSB-CYBMUJFWSA-N 1 2 346.387 3.034 20 5 EGBDLO C[C@@](O)(C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000545223399 459811468 /nfs/dbraw/zinc/81/14/68/459811468.db2.gz XKYLUZWPKXJVBN-GFCCVEGCSA-N 1 2 338.351 3.182 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000609322801 459943979 /nfs/dbraw/zinc/94/39/79/459943979.db2.gz LSSVIHPDAZGTOX-UHFFFAOYSA-N 1 2 345.424 3.352 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000609322801 459943985 /nfs/dbraw/zinc/94/39/85/459943985.db2.gz LSSVIHPDAZGTOX-UHFFFAOYSA-N 1 2 345.424 3.352 20 5 EGBDLO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000609358617 459949818 /nfs/dbraw/zinc/94/98/18/459949818.db2.gz NNQNELUYYKJSTB-HNNXBMFYSA-N 1 2 329.404 3.154 20 5 EGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618291159 459959021 /nfs/dbraw/zinc/95/90/21/459959021.db2.gz QTGURAASVDPLAF-HNNXBMFYSA-N 1 2 340.387 3.148 20 5 EGBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618291159 459959028 /nfs/dbraw/zinc/95/90/28/459959028.db2.gz QTGURAASVDPLAF-HNNXBMFYSA-N 1 2 340.387 3.148 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](OC4CCC4)C3)nc2c1 ZINC000594026725 460062342 /nfs/dbraw/zinc/06/23/42/460062342.db2.gz NXLRAUBSGYRGNY-AWEZNQCLSA-N 1 2 330.388 3.005 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](OC4CCC4)C3)nc2c1 ZINC000594026725 460062345 /nfs/dbraw/zinc/06/23/45/460062345.db2.gz NXLRAUBSGYRGNY-AWEZNQCLSA-N 1 2 330.388 3.005 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(F)c1 ZINC000594026688 460062584 /nfs/dbraw/zinc/06/25/84/460062584.db2.gz NGFWVLFHGGISBS-CYBMUJFWSA-N 1 2 326.343 3.407 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c(F)c1 ZINC000594026688 460062588 /nfs/dbraw/zinc/06/25/88/460062588.db2.gz NGFWVLFHGGISBS-CYBMUJFWSA-N 1 2 326.343 3.407 20 5 EGBDLO Cc1cccn2cc(CCNc3ccc4cc([N+](=O)[O-])ccc4n3)[nH+]c12 ZINC000610468884 460158375 /nfs/dbraw/zinc/15/83/75/460158375.db2.gz QZFZTYNWABNQMW-UHFFFAOYSA-N 1 2 347.378 3.176 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000603006708 460217856 /nfs/dbraw/zinc/21/78/56/460217856.db2.gz JQAGXEYQSSZQAF-OAHLLOKOSA-N 1 2 341.411 3.179 20 5 EGBDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000610943839 460264433 /nfs/dbraw/zinc/26/44/33/460264433.db2.gz MFCRQSCOWRLKTJ-GFCCVEGCSA-N 1 2 347.371 3.046 20 5 EGBDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000610943839 460264437 /nfs/dbraw/zinc/26/44/37/460264437.db2.gz MFCRQSCOWRLKTJ-GFCCVEGCSA-N 1 2 347.371 3.046 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511639 460265238 /nfs/dbraw/zinc/26/52/38/460265238.db2.gz BOQGBJTXQAJAHA-TXEJJXNPSA-N 1 2 341.358 3.065 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511639 460265243 /nfs/dbraw/zinc/26/52/43/460265243.db2.gz BOQGBJTXQAJAHA-TXEJJXNPSA-N 1 2 341.358 3.065 20 5 EGBDLO C[C@H](c1c(F)cccc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603840428 460345615 /nfs/dbraw/zinc/34/56/15/460345615.db2.gz BQUAOIDVENJWQZ-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000132144479 526593979 /nfs/dbraw/zinc/59/39/79/526593979.db2.gz KPQABCOGXLIHFI-UHFFFAOYSA-N 1 2 344.371 3.218 20 5 EGBDLO C[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733199557 575319514 /nfs/dbraw/zinc/31/95/14/575319514.db2.gz HKZZEMDIEJBKOU-KBPBESRZSA-N 1 2 349.431 3.425 20 5 EGBDLO COc1c(C)c[nH+]c(COC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1C ZINC000736800754 576033845 /nfs/dbraw/zinc/03/38/45/576033845.db2.gz OLOKXWIVWPZWTC-UHFFFAOYSA-N 1 2 330.340 3.281 20 5 EGBDLO CC(C)[C@@H]1CCC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000738242501 576304527 /nfs/dbraw/zinc/30/45/27/576304527.db2.gz XWVASKHPJUAKCO-LLVKDONJSA-N 1 2 345.241 3.269 20 5 EGBDLO CC(C)[C@@H]1CCC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000738242501 576304529 /nfs/dbraw/zinc/30/45/29/576304529.db2.gz XWVASKHPJUAKCO-LLVKDONJSA-N 1 2 345.241 3.269 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000742405558 576780413 /nfs/dbraw/zinc/78/04/13/576780413.db2.gz IYWGELSIGWHIHS-UHFFFAOYSA-N 1 2 340.221 3.032 20 5 EGBDLO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743380017 576807634 /nfs/dbraw/zinc/80/76/34/576807634.db2.gz WHXRGZZXHACNKG-CMPLNLGQSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743380017 576807635 /nfs/dbraw/zinc/80/76/35/576807635.db2.gz WHXRGZZXHACNKG-CMPLNLGQSA-N 1 2 345.241 3.412 20 5 EGBDLO CC1=C(Br)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000797528710 1310208431 /nfs/dbraw/zinc/20/84/31/1310208431.db2.gz YRMXESHWSQZYMO-UHFFFAOYSA-N 1 2 341.205 3.348 20 5 EGBDLO CC1=C(Br)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000797528710 1310208437 /nfs/dbraw/zinc/20/84/37/1310208437.db2.gz YRMXESHWSQZYMO-UHFFFAOYSA-N 1 2 341.205 3.348 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000067067595 1292144366 /nfs/dbraw/zinc/14/43/66/1292144366.db2.gz BFDQSAHSVZPPIV-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000092349405 1292864221 /nfs/dbraw/zinc/86/42/21/1292864221.db2.gz LVOSNXPDKKOYBW-UHFFFAOYSA-N 1 2 336.145 3.313 20 5 EGBDLO Cc1cccn2cc(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])nc12 ZINC000152285832 1293962305 /nfs/dbraw/zinc/96/23/05/1293962305.db2.gz JJYWTBVIKDQOEG-UHFFFAOYSA-N 1 2 330.775 3.494 20 5 EGBDLO Cc1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000172891935 1294447849 /nfs/dbraw/zinc/44/78/49/1294447849.db2.gz ILCUEPBJCBFFPY-UHFFFAOYSA-N 1 2 337.383 3.251 20 5 EGBDLO Cc1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000172891935 1294447851 /nfs/dbraw/zinc/44/78/51/1294447851.db2.gz ILCUEPBJCBFFPY-UHFFFAOYSA-N 1 2 337.383 3.251 20 5 EGBDLO COc1ccccc1OCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505877880 1297960030 /nfs/dbraw/zinc/96/00/30/1297960030.db2.gz XJNNARVWPVWDID-UHFFFAOYSA-N 1 2 334.347 3.253 20 5 EGBDLO COc1ccccc1OCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505877880 1297960040 /nfs/dbraw/zinc/96/00/40/1297960040.db2.gz XJNNARVWPVWDID-UHFFFAOYSA-N 1 2 334.347 3.253 20 5 EGBDLO Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(N(C)C)[nH+]1 ZINC000754374992 1300131853 /nfs/dbraw/zinc/13/18/53/1300131853.db2.gz GBEPZGADJBQMOE-LLVKDONJSA-N 1 2 346.362 3.246 20 5 EGBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCOC4(C3)CCCCCC4)c2c1 ZINC000763217721 1301848927 /nfs/dbraw/zinc/84/89/27/1301848927.db2.gz CLKXGDDAWSSKKU-UHFFFAOYSA-N 1 2 344.415 3.327 20 5 EGBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCOC4(C3)CCCCCC4)c2c1 ZINC000763217721 1301848933 /nfs/dbraw/zinc/84/89/33/1301848933.db2.gz CLKXGDDAWSSKKU-UHFFFAOYSA-N 1 2 344.415 3.327 20 5 EGBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886017272 1303319164 /nfs/dbraw/zinc/31/91/64/1303319164.db2.gz WKLUEUCWMQGOCK-AWEZNQCLSA-N 1 2 343.358 3.224 20 5 EGBDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886017272 1303319168 /nfs/dbraw/zinc/31/91/68/1303319168.db2.gz WKLUEUCWMQGOCK-AWEZNQCLSA-N 1 2 343.358 3.224 20 5 EGBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cccc2[nH+]ccn21 ZINC000770924065 1303332711 /nfs/dbraw/zinc/33/27/11/1303332711.db2.gz BBXMMGJNJMYRSK-UHFFFAOYSA-N 1 2 343.364 3.078 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000886173593 1303387217 /nfs/dbraw/zinc/38/72/17/1303387217.db2.gz UFBKRPXSNXLAOH-UHFFFAOYSA-N 1 2 347.802 3.127 20 5 EGBDLO COc1c(O)ccc(C[NH2+][C@H](C)c2cccc(F)c2F)c1[N+](=O)[O-] ZINC000893211829 1305765235 /nfs/dbraw/zinc/76/52/35/1305765235.db2.gz ZDEBQCUXXPLAOZ-SECBINFHSA-N 1 2 338.310 3.438 20 5 EGBDLO Cc1ccccc1CC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789597961 1306189501 /nfs/dbraw/zinc/18/95/01/1306189501.db2.gz VUFYIHCDHHGWMP-UHFFFAOYSA-N 1 2 344.327 3.053 20 5 EGBDLO COc1cc(N2CCC(Nc3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1C ZINC000895348859 1309292896 /nfs/dbraw/zinc/29/28/96/1309292896.db2.gz GCCSEDHQMMCVEC-UHFFFAOYSA-N 1 2 342.399 3.388 20 5 EGBDLO CCC(CC)C[N@H+](CC)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794619867 1309557273 /nfs/dbraw/zinc/55/72/73/1309557273.db2.gz KWWODBRVPQJJDX-UHFFFAOYSA-N 1 2 348.403 3.127 20 5 EGBDLO CCC(CC)C[N@@H+](CC)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794619867 1309557276 /nfs/dbraw/zinc/55/72/76/1309557276.db2.gz KWWODBRVPQJJDX-UHFFFAOYSA-N 1 2 348.403 3.127 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000896979351 1310116742 /nfs/dbraw/zinc/11/67/42/1310116742.db2.gz IQXXFXGUQLLTAY-CJNGLKHVSA-N 1 2 342.399 3.131 20 5 EGBDLO Cc1cc(C)c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(C)[nH+]1 ZINC000906960096 1318169274 /nfs/dbraw/zinc/16/92/74/1318169274.db2.gz IEVIHTMBZUILHR-UHFFFAOYSA-N 1 2 333.775 3.498 20 5 EGBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc(C)[nH+]1 ZINC000817459182 1319368003 /nfs/dbraw/zinc/36/80/03/1319368003.db2.gz RNYFBXAMZUCLFO-UHFFFAOYSA-N 1 2 333.775 3.498 20 5 EGBDLO COc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1C ZINC000820677023 1319932650 /nfs/dbraw/zinc/93/26/50/1319932650.db2.gz SHNIYAMZASAPNJ-BLLLJJGKSA-N 1 2 330.388 3.196 20 5 EGBDLO COC1(C(F)(F)F)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000842162128 1321355767 /nfs/dbraw/zinc/35/57/67/1321355767.db2.gz WQYJAKSWTOFHML-UHFFFAOYSA-N 1 2 336.285 3.277 20 5 EGBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497869 1325105563 /nfs/dbraw/zinc/10/55/63/1325105563.db2.gz HOOBRJAULUHSCR-CQSZACIVSA-N 1 2 349.394 3.258 20 5 EGBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497869 1325105569 /nfs/dbraw/zinc/10/55/69/1325105569.db2.gz HOOBRJAULUHSCR-CQSZACIVSA-N 1 2 349.394 3.258 20 5 EGBDLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc([N+](=O)[O-])nc2)cc[nH+]1 ZINC001203559947 1370169144 /nfs/dbraw/zinc/16/91/44/1370169144.db2.gz BHRZSJIBMPPZSA-UHFFFAOYSA-N 1 2 331.332 3.475 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001123364085 1372443134 /nfs/dbraw/zinc/44/31/34/1372443134.db2.gz ARJLYAXLBYZWTK-UHFFFAOYSA-N 1 2 343.387 3.048 20 5 EGBDLO O=c1oc2cc(O[C@H]3CC[NH2+]CC3(F)F)ccc2c2ccc(O)cc12 ZINC001218011134 1373537022 /nfs/dbraw/zinc/53/70/22/1373537022.db2.gz UTFFVGLMBJGXRU-INIZCTEOSA-N 1 2 347.317 3.028 20 5 EGBDLO Nc1cc(CNc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])cc[nH+]1 ZINC001156763960 1380629498 /nfs/dbraw/zinc/62/94/98/1380629498.db2.gz LSMVGAFQLBRCGH-UHFFFAOYSA-N 1 2 329.747 3.386 20 5 EGBDLO CC(C)Oc1nc(NCc2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC001163140424 1382975438 /nfs/dbraw/zinc/97/54/38/1382975438.db2.gz DTBIMJIEYJCJHN-UHFFFAOYSA-N 1 2 327.344 3.037 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1N1CCC(Nc3cccc[nH+]3)CC1)CCN2 ZINC001336824110 1389177327 /nfs/dbraw/zinc/17/73/27/1389177327.db2.gz LNLYRCFPAUHFTI-UHFFFAOYSA-N 1 2 339.399 3.039 20 5 EGBDLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC001353720472 1392076136 /nfs/dbraw/zinc/07/61/36/1392076136.db2.gz WLXSLFCFZAYLDL-UHFFFAOYSA-N 1 2 348.428 3.454 20 5 EGBDLO C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000036764945 213117342 /nfs/dbraw/zinc/11/73/42/213117342.db2.gz GLHRILDUINEICC-TZMCWYRMSA-N 1 2 328.372 3.089 20 5 EGBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc[nH+]1 ZINC000073053841 216344208 /nfs/dbraw/zinc/34/42/08/216344208.db2.gz WMOGGHKUHJOVKR-UHFFFAOYSA-N 1 2 326.356 3.151 20 5 EGBDLO CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264196354 246167388 /nfs/dbraw/zinc/16/73/88/246167388.db2.gz GWCWKZXTKKKAHH-MRXNPFEDSA-N 1 2 342.399 3.431 20 5 EGBDLO CC1(C)C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000378344956 169104500 /nfs/dbraw/zinc/10/45/00/169104500.db2.gz FPCZZYUXRRGWEA-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO CC1(C)C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000378344956 169104503 /nfs/dbraw/zinc/10/45/03/169104503.db2.gz FPCZZYUXRRGWEA-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO O=C1OCC[C@]12CCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190032181 153112824 /nfs/dbraw/zinc/11/28/24/153112824.db2.gz MOWIHVAKMSBCQE-GOSISDBHSA-N 1 2 342.351 3.136 20 5 EGBDLO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190032181 153112831 /nfs/dbraw/zinc/11/28/31/153112831.db2.gz MOWIHVAKMSBCQE-GOSISDBHSA-N 1 2 342.351 3.136 20 5 EGBDLO CC(C)c1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000372613466 157368235 /nfs/dbraw/zinc/36/82/35/157368235.db2.gz YLNDOUJZDKPMPI-AWEZNQCLSA-N 1 2 328.372 3.419 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000338501085 163248868 /nfs/dbraw/zinc/24/88/68/163248868.db2.gz JYFHEDPMCYSYAC-UHFFFAOYSA-N 1 2 340.339 3.431 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)c1 ZINC000338501085 163248869 /nfs/dbraw/zinc/24/88/69/163248869.db2.gz JYFHEDPMCYSYAC-UHFFFAOYSA-N 1 2 340.339 3.431 20 5 EGBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000338880996 163373446 /nfs/dbraw/zinc/37/34/46/163373446.db2.gz NJXNAKUGZHIXDW-ZBFHGGJFSA-N 1 2 344.415 3.400 20 5 EGBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344187401 164122201 /nfs/dbraw/zinc/12/22/01/164122201.db2.gz GQRSZMJHMYVYHR-UHFFFAOYSA-N 1 2 326.287 3.172 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000350167773 165015063 /nfs/dbraw/zinc/01/50/63/165015063.db2.gz XEMQXJZKDZWJSI-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000350167773 165015065 /nfs/dbraw/zinc/01/50/65/165015065.db2.gz XEMQXJZKDZWJSI-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352001530 165186707 /nfs/dbraw/zinc/18/67/07/165186707.db2.gz BTTHMQZDHAFANF-UHFFFAOYSA-N 1 2 344.358 3.427 20 5 EGBDLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352001530 165186709 /nfs/dbraw/zinc/18/67/09/165186709.db2.gz BTTHMQZDHAFANF-UHFFFAOYSA-N 1 2 344.358 3.427 20 5 EGBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000352354492 165359982 /nfs/dbraw/zinc/35/99/82/165359982.db2.gz BLUXRRYQUIRPCZ-UHFFFAOYSA-N 1 2 349.394 3.172 20 5 EGBDLO Cc1cccnc1OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352364885 165365652 /nfs/dbraw/zinc/36/56/52/165365652.db2.gz JXRXXAHPTNBDDB-UHFFFAOYSA-N 1 2 345.374 3.481 20 5 EGBDLO Cc1cc(NCc2ccc(O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352417648 165390138 /nfs/dbraw/zinc/39/01/38/165390138.db2.gz RSNXFCIAAJXSOT-UHFFFAOYSA-N 1 2 336.351 3.100 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)c(Cl)c1 ZINC000355191796 166128522 /nfs/dbraw/zinc/12/85/22/166128522.db2.gz BYNLPLVXOUBCHH-UHFFFAOYSA-N 1 2 343.774 3.119 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000177050837 265225678 /nfs/dbraw/zinc/22/56/78/265225678.db2.gz MIEGPVYWZZEXTP-UHFFFAOYSA-N 1 2 346.383 3.340 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000177050837 265225680 /nfs/dbraw/zinc/22/56/80/265225680.db2.gz MIEGPVYWZZEXTP-UHFFFAOYSA-N 1 2 346.383 3.340 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cn3ccsc3n2)C2CC2)c1 ZINC000177999789 265290659 /nfs/dbraw/zinc/29/06/59/265290659.db2.gz CVGLJSPGYLQJRJ-UHFFFAOYSA-N 1 2 328.397 3.469 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cn3ccsc3n2)C2CC2)c1 ZINC000177999789 265290663 /nfs/dbraw/zinc/29/06/63/265290663.db2.gz CVGLJSPGYLQJRJ-UHFFFAOYSA-N 1 2 328.397 3.469 20 5 EGBDLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000269649113 266334565 /nfs/dbraw/zinc/33/45/65/266334565.db2.gz LRLJOHVRWVQKMI-CSMYWGQOSA-N 1 2 348.424 3.152 20 5 EGBDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000269649113 266334566 /nfs/dbraw/zinc/33/45/66/266334566.db2.gz LRLJOHVRWVQKMI-CSMYWGQOSA-N 1 2 348.424 3.152 20 5 EGBDLO Cc1ccc(N2CC[NH+]([C@H](C)c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000274328203 267218473 /nfs/dbraw/zinc/21/84/73/267218473.db2.gz VPIRQGMMVXEMHO-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000288093522 276182189 /nfs/dbraw/zinc/18/21/89/276182189.db2.gz JBYGZRROSXVEKX-UHFFFAOYSA-N 1 2 344.419 3.117 20 5 EGBDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000289385521 276330994 /nfs/dbraw/zinc/33/09/94/276330994.db2.gz QFCMBPPNQGAZOW-UHFFFAOYSA-N 1 2 346.214 3.132 20 5 EGBDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000289385521 276330996 /nfs/dbraw/zinc/33/09/96/276330996.db2.gz QFCMBPPNQGAZOW-UHFFFAOYSA-N 1 2 346.214 3.132 20 5 EGBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000377272216 278036330 /nfs/dbraw/zinc/03/63/30/278036330.db2.gz AJRLQZIYPIGDCM-RDTXWAMCSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1ccc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000377272216 278036331 /nfs/dbraw/zinc/03/63/31/278036331.db2.gz AJRLQZIYPIGDCM-RDTXWAMCSA-N 1 2 334.416 3.098 20 5 EGBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000153732666 278076296 /nfs/dbraw/zinc/07/62/96/278076296.db2.gz GNUJPVPOOCXIJO-UHFFFAOYSA-N 1 2 335.795 3.063 20 5 EGBDLO O=C(Nc1ccc(Cl)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060658212 307351661 /nfs/dbraw/zinc/35/16/61/307351661.db2.gz WYUKNVQRZFSDJR-UHFFFAOYSA-N 1 2 343.730 3.081 20 5 EGBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000295915638 308374297 /nfs/dbraw/zinc/37/42/97/308374297.db2.gz OLIIBSLSJNMVPW-ZDUSSCGKSA-N 1 2 348.790 3.205 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCn3ccnc32)cc(C(F)(F)F)c1 ZINC000296596215 308445299 /nfs/dbraw/zinc/44/52/99/308445299.db2.gz XHJRABJLZSCPGI-GFCCVEGCSA-N 1 2 326.278 3.045 20 5 EGBDLO Cn1nccc1[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413073314 309014731 /nfs/dbraw/zinc/01/47/31/309014731.db2.gz PRDUQOMZAFPCQF-CQSZACIVSA-N 1 2 337.383 3.261 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@](CO)(c4ccccc4)C3)c2c1 ZINC000413293768 309025587 /nfs/dbraw/zinc/02/55/87/309025587.db2.gz CFOUURVITLUZNM-FQEVSTJZSA-N 1 2 349.390 3.283 20 5 EGBDLO CCC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447812713 309989539 /nfs/dbraw/zinc/98/95/39/309989539.db2.gz SIPAACFUDFRRMH-UHFFFAOYSA-N 1 2 333.432 3.053 20 5 EGBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C1CC1)C1CC1 ZINC000448834603 310020245 /nfs/dbraw/zinc/02/02/45/310020245.db2.gz JTVXSHPBXTUSNT-UHFFFAOYSA-N 1 2 340.383 3.041 20 5 EGBDLO CCC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448860928 310021219 /nfs/dbraw/zinc/02/12/19/310021219.db2.gz RDGLLWTWFNKKER-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)sc1Br ZINC000449403385 310059047 /nfs/dbraw/zinc/05/90/47/310059047.db2.gz VYNFUUSSZMGHKA-UHFFFAOYSA-N 1 2 342.218 3.412 20 5 EGBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]2COC[C@@H]21 ZINC000449782857 310086774 /nfs/dbraw/zinc/08/67/74/310086774.db2.gz MFXRGNCHUXCYLC-QWHCGFSZSA-N 1 2 342.342 3.053 20 5 EGBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]2COC[C@@H]21 ZINC000449782857 310086775 /nfs/dbraw/zinc/08/67/75/310086775.db2.gz MFXRGNCHUXCYLC-QWHCGFSZSA-N 1 2 342.342 3.053 20 5 EGBDLO Nc1[nH+]cnc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1Cl ZINC000450763763 310141597 /nfs/dbraw/zinc/14/15/97/310141597.db2.gz QLMHAHYXFADYDW-LLVKDONJSA-N 1 2 333.779 3.004 20 5 EGBDLO Nc1nc[nH+]c(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1Cl ZINC000450763763 310141598 /nfs/dbraw/zinc/14/15/98/310141598.db2.gz QLMHAHYXFADYDW-LLVKDONJSA-N 1 2 333.779 3.004 20 5 EGBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CCO2 ZINC000451647096 310191039 /nfs/dbraw/zinc/19/10/39/310191039.db2.gz LOCDPZJPBLGCKA-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CCO2 ZINC000451647096 310191040 /nfs/dbraw/zinc/19/10/40/310191040.db2.gz LOCDPZJPBLGCKA-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456399488 310404038 /nfs/dbraw/zinc/40/40/38/310404038.db2.gz CXCLFXGCIKPVAX-GXFFZTMASA-N 1 2 346.412 3.339 20 5 EGBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000491891291 311196051 /nfs/dbraw/zinc/19/60/51/311196051.db2.gz CBECOWPJSJMDNM-RMKNXTFCSA-N 1 2 348.362 3.110 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493644655 311408339 /nfs/dbraw/zinc/40/83/39/311408339.db2.gz NWEZVJMUOVAHIK-ZRQQLDRUSA-N 1 2 348.790 3.355 20 5 EGBDLO Cc1[nH+]c2cc(CNc3ncc([N+](=O)[O-])s3)ccc2n1C1CC1 ZINC000515074181 312264414 /nfs/dbraw/zinc/26/44/14/312264414.db2.gz UPFRYIAJOQWHRK-UHFFFAOYSA-N 1 2 329.385 3.078 20 5 EGBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834327 454089927 /nfs/dbraw/zinc/08/99/27/454089927.db2.gz MRAUIOPLJGVSKZ-VIFPVBQESA-N 1 2 325.166 3.054 20 5 EGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000539123009 314298186 /nfs/dbraw/zinc/29/81/86/314298186.db2.gz XPWPVQZNLDYHCF-NSHDSACASA-N 1 2 341.346 3.370 20 5 EGBDLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000539123009 314298190 /nfs/dbraw/zinc/29/81/90/314298190.db2.gz XPWPVQZNLDYHCF-NSHDSACASA-N 1 2 341.346 3.370 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000539225801 314301371 /nfs/dbraw/zinc/30/13/71/314301371.db2.gz FWCUBBZXNGEIAF-NSHDSACASA-N 1 2 349.337 3.471 20 5 EGBDLO C[C@@H]1CN(c2ccc(Nc3c(F)cccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000553299624 315256117 /nfs/dbraw/zinc/25/61/17/315256117.db2.gz NCAVYEDVAOHDCZ-TXEJJXNPSA-N 1 2 346.362 3.486 20 5 EGBDLO C[C@H](C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000565933798 316389751 /nfs/dbraw/zinc/38/97/51/316389751.db2.gz QHRLQBXYRNEBNW-SWLSCSKDSA-N 1 2 342.399 3.042 20 5 EGBDLO C[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000301140114 456806068 /nfs/dbraw/zinc/80/60/68/456806068.db2.gz AJIGOWHDNSIFGE-JTQLQIEISA-N 1 2 339.193 3.302 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000157945467 455251546 /nfs/dbraw/zinc/25/15/46/455251546.db2.gz JWHICLBRLFYJQU-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cccc(F)c2C1 ZINC000157945467 455251549 /nfs/dbraw/zinc/25/15/49/455251549.db2.gz JWHICLBRLFYJQU-LBPRGKRZSA-N 1 2 343.358 3.119 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccs1 ZINC000007846813 453125254 /nfs/dbraw/zinc/12/52/54/453125254.db2.gz GKHKJOOAMWJSIL-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1cccs1 ZINC000007846813 453125258 /nfs/dbraw/zinc/12/52/58/453125258.db2.gz GKHKJOOAMWJSIL-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000616737724 460609538 /nfs/dbraw/zinc/60/95/38/460609538.db2.gz CKWCLDDFCKAJMB-UHFFFAOYSA-N 1 2 340.379 3.233 20 5 EGBDLO Cc1ccc2c(c1)CC[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000616737724 460609541 /nfs/dbraw/zinc/60/95/41/460609541.db2.gz CKWCLDDFCKAJMB-UHFFFAOYSA-N 1 2 340.379 3.233 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ncccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000017590781 453635981 /nfs/dbraw/zinc/63/59/81/453635981.db2.gz ANBTWJHDWWCBLQ-AWEZNQCLSA-N 1 2 327.319 3.064 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000024165551 453726828 /nfs/dbraw/zinc/72/68/28/453726828.db2.gz SQJPJCALWYGDBK-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347351 453797767 /nfs/dbraw/zinc/79/77/67/453797767.db2.gz SQALMAASIXKFQY-AWEZNQCLSA-N 1 2 327.384 3.362 20 5 EGBDLO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347351 453797768 /nfs/dbraw/zinc/79/77/68/453797768.db2.gz SQALMAASIXKFQY-AWEZNQCLSA-N 1 2 327.384 3.362 20 5 EGBDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000029903529 453832678 /nfs/dbraw/zinc/83/26/78/453832678.db2.gz FDYYACLYDBUXPY-UHFFFAOYSA-N 1 2 333.775 3.319 20 5 EGBDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000029903529 453832679 /nfs/dbraw/zinc/83/26/79/453832679.db2.gz FDYYACLYDBUXPY-UHFFFAOYSA-N 1 2 333.775 3.319 20 5 EGBDLO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000030141970 453833893 /nfs/dbraw/zinc/83/38/93/453833893.db2.gz ILLAJSLOAHXATJ-LLVKDONJSA-N 1 2 325.796 3.309 20 5 EGBDLO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000030141970 453833894 /nfs/dbraw/zinc/83/38/94/453833894.db2.gz ILLAJSLOAHXATJ-LLVKDONJSA-N 1 2 325.796 3.309 20 5 EGBDLO CC(=O)c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000067182693 453909652 /nfs/dbraw/zinc/90/96/52/453909652.db2.gz TUTRCQMTQYNLBY-UHFFFAOYSA-N 1 2 340.383 3.405 20 5 EGBDLO Cn1c(CCNc2ccc([N+](=O)[O-])cc2F)[nH+]c2ccc(F)cc21 ZINC000077209608 454075215 /nfs/dbraw/zinc/07/52/15/454075215.db2.gz WPKFXJAXSHKBGD-UHFFFAOYSA-N 1 2 332.310 3.414 20 5 EGBDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069069159 454077169 /nfs/dbraw/zinc/07/71/69/454077169.db2.gz XXSIVKDKWKERBS-SNVBAGLBSA-N 1 2 337.763 3.473 20 5 EGBDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069069159 454077171 /nfs/dbraw/zinc/07/71/71/454077171.db2.gz XXSIVKDKWKERBS-SNVBAGLBSA-N 1 2 337.763 3.473 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606884 454114889 /nfs/dbraw/zinc/11/48/89/454114889.db2.gz JVFOUMUIMOYQMU-PBHICJAKSA-N 1 2 345.443 3.133 20 5 EGBDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606884 454114890 /nfs/dbraw/zinc/11/48/90/454114890.db2.gz JVFOUMUIMOYQMU-PBHICJAKSA-N 1 2 345.443 3.133 20 5 EGBDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607096 454115213 /nfs/dbraw/zinc/11/52/13/454115213.db2.gz IFLMFNRHZBYOOT-UUCFBXCCSA-N 1 2 345.443 3.036 20 5 EGBDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607096 454115215 /nfs/dbraw/zinc/11/52/15/454115215.db2.gz IFLMFNRHZBYOOT-UUCFBXCCSA-N 1 2 345.443 3.036 20 5 EGBDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616569 454115823 /nfs/dbraw/zinc/11/58/23/454115823.db2.gz NQHBTRHBERDATL-CQSZACIVSA-N 1 2 345.443 3.133 20 5 EGBDLO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088616569 454115826 /nfs/dbraw/zinc/11/58/26/454115826.db2.gz NQHBTRHBERDATL-CQSZACIVSA-N 1 2 345.443 3.133 20 5 EGBDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000078412869 454249527 /nfs/dbraw/zinc/24/95/27/454249527.db2.gz TWTUUCFQDNYYTM-UHFFFAOYSA-N 1 2 341.415 3.137 20 5 EGBDLO C[NH+](C)c1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000078412869 454249533 /nfs/dbraw/zinc/24/95/33/454249533.db2.gz TWTUUCFQDNYYTM-UHFFFAOYSA-N 1 2 341.415 3.137 20 5 EGBDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])oc1C ZINC000072558462 454309765 /nfs/dbraw/zinc/30/97/65/454309765.db2.gz ULOMIFHUTUTELH-NSHDSACASA-N 1 2 332.356 3.476 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])oc1C ZINC000072558462 454309767 /nfs/dbraw/zinc/30/97/67/454309767.db2.gz ULOMIFHUTUTELH-NSHDSACASA-N 1 2 332.356 3.476 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000072556198 454310130 /nfs/dbraw/zinc/31/01/30/454310130.db2.gz WEXJCVHMFDJQRS-GFCCVEGCSA-N 1 2 331.347 3.365 20 5 EGBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000072556198 454310133 /nfs/dbraw/zinc/31/01/33/454310133.db2.gz WEXJCVHMFDJQRS-GFCCVEGCSA-N 1 2 331.347 3.365 20 5 EGBDLO COC(=O)c1cc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])oc1C ZINC000048236496 454460594 /nfs/dbraw/zinc/46/05/94/454460594.db2.gz RWEQNKYSRQJVKV-UHFFFAOYSA-N 1 2 336.319 3.054 20 5 EGBDLO COC(=O)c1cc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])oc1C ZINC000048236496 454460598 /nfs/dbraw/zinc/46/05/98/454460598.db2.gz RWEQNKYSRQJVKV-UHFFFAOYSA-N 1 2 336.319 3.054 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCc4cc(F)ccc4C3)nc2c1 ZINC000091893681 454485368 /nfs/dbraw/zinc/48/53/68/454485368.db2.gz UGZYYEDLMAJCOX-UHFFFAOYSA-N 1 2 327.315 3.433 20 5 EGBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCc4cc(F)ccc4C3)nc2c1 ZINC000091893681 454485372 /nfs/dbraw/zinc/48/53/72/454485372.db2.gz UGZYYEDLMAJCOX-UHFFFAOYSA-N 1 2 327.315 3.433 20 5 EGBDLO O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000048397875 454485954 /nfs/dbraw/zinc/48/59/54/454485954.db2.gz XYGCFTRZRHBSIK-UHFFFAOYSA-N 1 2 338.323 3.002 20 5 EGBDLO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)Cn1cc[nH+]c1 ZINC000092612526 454594956 /nfs/dbraw/zinc/59/49/56/454594956.db2.gz NSMZCWWHCOTSCN-SNVBAGLBSA-N 1 2 326.303 3.141 20 5 EGBDLO C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000162946519 454811751 /nfs/dbraw/zinc/81/17/51/454811751.db2.gz QJAGTPHBEZRTGF-ZIAGYGMSSA-N 1 2 342.399 3.289 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1OC ZINC000127425031 454962842 /nfs/dbraw/zinc/96/28/42/454962842.db2.gz XARHDCUMWXZXCA-AWEZNQCLSA-N 1 2 331.372 3.277 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1OC ZINC000127425031 454962845 /nfs/dbraw/zinc/96/28/45/454962845.db2.gz XARHDCUMWXZXCA-AWEZNQCLSA-N 1 2 331.372 3.277 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2cccnc2)C2CC2)c2c(c1)COCO2 ZINC000180274051 455154001 /nfs/dbraw/zinc/15/40/01/455154001.db2.gz AYAXIFNMTLZJDW-UHFFFAOYSA-N 1 2 341.367 3.021 20 5 EGBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2cccnc2)C2CC2)c2c(c1)COCO2 ZINC000180274051 455154004 /nfs/dbraw/zinc/15/40/04/455154004.db2.gz AYAXIFNMTLZJDW-UHFFFAOYSA-N 1 2 341.367 3.021 20 5 EGBDLO COc1ccnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1OC ZINC000191062825 455435532 /nfs/dbraw/zinc/43/55/32/455435532.db2.gz OOQLQLKOVWWFMS-LBPRGKRZSA-N 1 2 331.372 3.166 20 5 EGBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000266948268 455480936 /nfs/dbraw/zinc/48/09/36/455480936.db2.gz DGHTZFCFXWRWEU-UHFFFAOYSA-N 1 2 342.399 3.349 20 5 EGBDLO Cc1cnc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)s1 ZINC000175983653 455524434 /nfs/dbraw/zinc/52/44/34/455524434.db2.gz XXLVVEFENRXISZ-UHFFFAOYSA-N 1 2 349.412 3.251 20 5 EGBDLO CCOC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000185650442 455589903 /nfs/dbraw/zinc/58/99/03/455589903.db2.gz CQNDGFMLSFGMSK-UHFFFAOYSA-N 1 2 338.747 3.308 20 5 EGBDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174705 455811823 /nfs/dbraw/zinc/81/18/23/455811823.db2.gz SHBOZORFPYTOLG-GOEBONIOSA-N 1 2 333.432 3.064 20 5 EGBDLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000194174705 455811832 /nfs/dbraw/zinc/81/18/32/455811832.db2.gz SHBOZORFPYTOLG-GOEBONIOSA-N 1 2 333.432 3.064 20 5 EGBDLO O=C(CCn1cc[nH+]c1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000253394978 455838437 /nfs/dbraw/zinc/83/84/37/455838437.db2.gz CWIMGDQIGKQDBY-UHFFFAOYSA-N 1 2 336.351 3.487 20 5 EGBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353213022 456562971 /nfs/dbraw/zinc/56/29/71/456562971.db2.gz BGNLXRHMJIBCKR-UHFFFAOYSA-N 1 2 348.265 3.096 20 5 EGBDLO CCCC[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291231465 456572561 /nfs/dbraw/zinc/57/25/61/456572561.db2.gz LNYYZWXQUSTXRO-CYBMUJFWSA-N 1 2 330.388 3.431 20 5 EGBDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000348263178 456580405 /nfs/dbraw/zinc/58/04/05/456580405.db2.gz UHBXAWNXUKBOCO-NFAWXSAZSA-N 1 2 342.399 3.335 20 5 EGBDLO CCOc1cc(C[N@H+](CCOC)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000276962071 456632770 /nfs/dbraw/zinc/63/27/70/456632770.db2.gz VOYLKAIPWYSEBR-UHFFFAOYSA-N 1 2 334.372 3.235 20 5 EGBDLO CCOc1cc(C[N@@H+](CCOC)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000276962071 456632774 /nfs/dbraw/zinc/63/27/74/456632774.db2.gz VOYLKAIPWYSEBR-UHFFFAOYSA-N 1 2 334.372 3.235 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301172420 456813183 /nfs/dbraw/zinc/81/31/83/456813183.db2.gz KJZHDPXTHCRMGI-SFHVURJKSA-N 1 2 341.411 3.389 20 5 EGBDLO CN(C)c1ncnc(Cl)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292053779 456841544 /nfs/dbraw/zinc/84/15/44/456841544.db2.gz BTRUFCILCBSXGI-UHFFFAOYSA-N 1 2 349.822 3.129 20 5 EGBDLO O=[N+]([O-])c1cc2c(ncnc2Sc2[nH+]cc3ccccn32)s1 ZINC000341366812 456857971 /nfs/dbraw/zinc/85/79/71/456857971.db2.gz JDXCVMKTRRCJLB-UHFFFAOYSA-N 1 2 329.366 3.398 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000339073150 456926618 /nfs/dbraw/zinc/92/66/18/456926618.db2.gz VRPFTYIWFAPBAS-CYBMUJFWSA-N 1 2 338.367 3.337 20 5 EGBDLO CCCCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339080056 456930670 /nfs/dbraw/zinc/93/06/70/456930670.db2.gz BSQVUVMMUNIVOC-UHFFFAOYSA-N 1 2 347.337 3.091 20 5 EGBDLO CCCCC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339080056 456930673 /nfs/dbraw/zinc/93/06/73/456930673.db2.gz BSQVUVMMUNIVOC-UHFFFAOYSA-N 1 2 347.337 3.091 20 5 EGBDLO CC[C@@H]1C[N@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000362661352 457032659 /nfs/dbraw/zinc/03/26/59/457032659.db2.gz DFWQVFCAWPRPDD-GFCCVEGCSA-N 1 2 347.337 3.136 20 5 EGBDLO CC[C@@H]1C[N@@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000362661352 457032666 /nfs/dbraw/zinc/03/26/66/457032666.db2.gz DFWQVFCAWPRPDD-GFCCVEGCSA-N 1 2 347.337 3.136 20 5 EGBDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330949992 457107604 /nfs/dbraw/zinc/10/76/04/457107604.db2.gz CTBMFNMBSFCCAT-GFCCVEGCSA-N 1 2 345.321 3.196 20 5 EGBDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330949992 457107607 /nfs/dbraw/zinc/10/76/07/457107607.db2.gz CTBMFNMBSFCCAT-GFCCVEGCSA-N 1 2 345.321 3.196 20 5 EGBDLO COc1cc(NCc2cn3ccc(C)cc3[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000342251721 457191632 /nfs/dbraw/zinc/19/16/32/457191632.db2.gz SGWFOCCMUYHHFR-UHFFFAOYSA-N 1 2 330.319 3.311 20 5 EGBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000356918096 457217918 /nfs/dbraw/zinc/21/79/18/457217918.db2.gz MYMRFJHYSVHMLU-JTQLQIEISA-N 1 2 328.328 3.397 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(CC(F)(F)F)no2)cc1[N+](=O)[O-] ZINC000342328894 457239627 /nfs/dbraw/zinc/23/96/27/457239627.db2.gz VDFIXULQAULCDU-VIFPVBQESA-N 1 2 344.293 3.242 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000360944105 457451434 /nfs/dbraw/zinc/45/14/34/457451434.db2.gz KZHSNGRPXFNANF-HOCLYGCPSA-N 1 2 342.399 3.250 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000357451307 457536183 /nfs/dbraw/zinc/53/61/83/457536183.db2.gz JLDPBBIFYQFOLW-UHFFFAOYSA-N 1 2 328.353 3.217 20 5 EGBDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccon1 ZINC000425431535 457551778 /nfs/dbraw/zinc/55/17/78/457551778.db2.gz IHKVVMBNFUPYDE-MRVPVSSYSA-N 1 2 326.150 3.196 20 5 EGBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361266360 457672733 /nfs/dbraw/zinc/67/27/33/457672733.db2.gz NLQVXQVFMAFWFH-NSHDSACASA-N 1 2 326.356 3.370 20 5 EGBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361266360 457672738 /nfs/dbraw/zinc/67/27/38/457672738.db2.gz NLQVXQVFMAFWFH-NSHDSACASA-N 1 2 326.356 3.370 20 5 EGBDLO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(C)cs1 ZINC000444674887 457935611 /nfs/dbraw/zinc/93/56/11/457935611.db2.gz MDAKZJJEKKYCQQ-NSHDSACASA-N 1 2 331.401 3.477 20 5 EGBDLO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(C)C ZINC000447814770 458346365 /nfs/dbraw/zinc/34/63/65/458346365.db2.gz BGPPELXYTPRYGD-OAHLLOKOSA-N 1 2 347.459 3.299 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000430208269 458420838 /nfs/dbraw/zinc/42/08/38/458420838.db2.gz TYECDRFIRLXOGK-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000430208269 458420844 /nfs/dbraw/zinc/42/08/44/458420844.db2.gz TYECDRFIRLXOGK-ZDUSSCGKSA-N 1 2 328.368 3.387 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c(Br)c1 ZINC000373844316 458623584 /nfs/dbraw/zinc/62/35/84/458623584.db2.gz IVUGZLXYQWOSLB-GFCCVEGCSA-N 1 2 337.177 3.422 20 5 EGBDLO Cc1cc(C)c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000456829632 458793281 /nfs/dbraw/zinc/79/32/81/458793281.db2.gz CUDUBHKYHNSTRI-UHFFFAOYSA-N 1 2 333.775 3.119 20 5 EGBDLO COc1cc(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000440971332 458872036 /nfs/dbraw/zinc/87/20/36/458872036.db2.gz YQUYPPWJOIKXDE-UKRRQHHQSA-N 1 2 338.379 3.274 20 5 EGBDLO COc1cc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000440971332 458872042 /nfs/dbraw/zinc/87/20/42/458872042.db2.gz YQUYPPWJOIKXDE-UKRRQHHQSA-N 1 2 338.379 3.274 20 5 EGBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441240634 458905680 /nfs/dbraw/zinc/90/56/80/458905680.db2.gz XNVDVWPGCRMHHO-HNNXBMFYSA-N 1 2 347.459 3.452 20 5 EGBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441240634 458905682 /nfs/dbraw/zinc/90/56/82/458905682.db2.gz XNVDVWPGCRMHHO-HNNXBMFYSA-N 1 2 347.459 3.452 20 5 EGBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000521245589 459134084 /nfs/dbraw/zinc/13/40/84/459134084.db2.gz IKKIDDUFHFPGOE-AWEZNQCLSA-N 1 2 336.775 3.080 20 5 EGBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(OC)c1 ZINC000594967940 459199454 /nfs/dbraw/zinc/19/94/54/459199454.db2.gz BBGMFAKKZKBWPQ-KRWDZBQOSA-N 1 2 334.347 3.220 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000595323064 459276607 /nfs/dbraw/zinc/27/66/07/459276607.db2.gz WLOWYLWQHMMQEL-LBPRGKRZSA-N 1 2 336.285 3.277 20 5 EGBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000595323064 459276612 /nfs/dbraw/zinc/27/66/12/459276612.db2.gz WLOWYLWQHMMQEL-LBPRGKRZSA-N 1 2 336.285 3.277 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000523439321 459302181 /nfs/dbraw/zinc/30/21/81/459302181.db2.gz SWGOEPDXBJUBOI-ZDUSSCGKSA-N 1 2 348.321 3.147 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000523439321 459302186 /nfs/dbraw/zinc/30/21/86/459302186.db2.gz SWGOEPDXBJUBOI-ZDUSSCGKSA-N 1 2 348.321 3.147 20 5 EGBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C(F)(F)F)O1 ZINC000591150937 459323422 /nfs/dbraw/zinc/32/34/22/459323422.db2.gz VUPYKYQQHKBIII-TVQRCGJNSA-N 1 2 341.289 3.299 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)c1 ZINC000595659266 459387232 /nfs/dbraw/zinc/38/72/32/459387232.db2.gz ZPKWUJXJZFTGFT-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)c1 ZINC000595659266 459387236 /nfs/dbraw/zinc/38/72/36/459387236.db2.gz ZPKWUJXJZFTGFT-UHFFFAOYSA-N 1 2 341.198 3.156 20 5 EGBDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000591844723 459453441 /nfs/dbraw/zinc/45/34/41/459453441.db2.gz NRKAEQGGQFCJRA-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000591844723 459453448 /nfs/dbraw/zinc/45/34/48/459453448.db2.gz NRKAEQGGQFCJRA-UHFFFAOYSA-N 1 2 343.221 3.358 20 5 EGBDLO COc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)ccc1[N+](=O)[O-] ZINC000525724428 459483007 /nfs/dbraw/zinc/48/30/07/459483007.db2.gz AWOVZEHALZNATF-UHFFFAOYSA-N 1 2 340.339 3.051 20 5 EGBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596053729 459502833 /nfs/dbraw/zinc/50/28/33/459502833.db2.gz GVECAFFBDUYERW-UHFFFAOYSA-N 1 2 340.383 3.346 20 5 EGBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593056229 459758612 /nfs/dbraw/zinc/75/86/12/459758612.db2.gz BYLKZMSIPPGYCZ-ZDUSSCGKSA-N 1 2 346.387 3.034 20 5 EGBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593056229 459758618 /nfs/dbraw/zinc/75/86/18/459758618.db2.gz BYLKZMSIPPGYCZ-ZDUSSCGKSA-N 1 2 346.387 3.034 20 5 EGBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000609563477 459982338 /nfs/dbraw/zinc/98/23/38/459982338.db2.gz VOWKCMCONAXKLK-UHFFFAOYSA-N 1 2 338.323 3.373 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602653907 460045079 /nfs/dbraw/zinc/04/50/79/460045079.db2.gz FASHSQHPHUVBOL-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602653907 460045086 /nfs/dbraw/zinc/04/50/86/460045086.db2.gz FASHSQHPHUVBOL-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC(F)F ZINC000610276362 460102845 /nfs/dbraw/zinc/10/28/45/460102845.db2.gz QEYFDFXMDHQOET-GFCCVEGCSA-N 1 2 338.314 3.234 20 5 EGBDLO C[C@H]1CC[C@@H](c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)O1 ZINC000599177719 460189401 /nfs/dbraw/zinc/18/94/01/460189401.db2.gz VFANNGKLBRVIGJ-HZMBPMFUSA-N 1 2 341.327 3.071 20 5 EGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000610782630 460236152 /nfs/dbraw/zinc/23/61/52/460236152.db2.gz ZBDUMFYVEXYNRS-UHFFFAOYSA-N 1 2 326.759 3.024 20 5 EGBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000610782630 460236156 /nfs/dbraw/zinc/23/61/56/460236156.db2.gz ZBDUMFYVEXYNRS-UHFFFAOYSA-N 1 2 326.759 3.024 20 5 EGBDLO Cc1cc(N[C@H](C)C[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611132854 460293853 /nfs/dbraw/zinc/29/38/53/460293853.db2.gz ZMMXSQBXYRFXFX-TZMCWYRMSA-N 1 2 342.399 3.009 20 5 EGBDLO O=C(NCc1c[nH+]c[nH]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611208069 460307653 /nfs/dbraw/zinc/30/76/53/460307653.db2.gz XAFBSMVUHDTYCK-UHFFFAOYSA-N 1 2 346.412 3.283 20 5 EGBDLO O=C(NCc1c[nH]c[nH+]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611208069 460307658 /nfs/dbraw/zinc/30/76/58/460307658.db2.gz XAFBSMVUHDTYCK-UHFFFAOYSA-N 1 2 346.412 3.283 20 5 EGBDLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604271893 460399249 /nfs/dbraw/zinc/39/92/49/460399249.db2.gz SHNCWHZVSSSCKB-GFCCVEGCSA-N 1 2 348.353 3.151 20 5 EGBDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000616133053 460479391 /nfs/dbraw/zinc/47/93/91/460479391.db2.gz VMDGNBIPLWKTKM-CQSZACIVSA-N 1 2 329.375 3.445 20 5 EGBDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000616133053 460479398 /nfs/dbraw/zinc/47/93/98/460479398.db2.gz VMDGNBIPLWKTKM-CQSZACIVSA-N 1 2 329.375 3.445 20 5 EGBDLO Cc1ccncc1[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000611938924 460492090 /nfs/dbraw/zinc/49/20/90/460492090.db2.gz BXRGSZAHHUZOSE-LBPRGKRZSA-N 1 2 339.355 3.199 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192257776 528860320 /nfs/dbraw/zinc/86/03/20/528860320.db2.gz DDZZZWAHJCMWPQ-UHFFFAOYSA-N 1 2 344.415 3.215 20 5 EGBDLO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000730938306 575037831 /nfs/dbraw/zinc/03/78/31/575037831.db2.gz ZIDJVBLHIFNWRO-OAHLLOKOSA-N 1 2 343.431 3.462 20 5 EGBDLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000731666079 575195073 /nfs/dbraw/zinc/19/50/73/575195073.db2.gz BDLXIENCXMHAGX-SFHVURJKSA-N 1 2 340.379 3.303 20 5 EGBDLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000731666079 575195076 /nfs/dbraw/zinc/19/50/76/575195076.db2.gz BDLXIENCXMHAGX-SFHVURJKSA-N 1 2 340.379 3.303 20 5 EGBDLO O=C(OCc1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000731666358 575195163 /nfs/dbraw/zinc/19/51/63/575195163.db2.gz DKJCDSBHKIHBPP-GOSISDBHSA-N 1 2 340.379 3.303 20 5 EGBDLO O=C(OCc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000731666358 575195166 /nfs/dbraw/zinc/19/51/66/575195166.db2.gz DKJCDSBHKIHBPP-GOSISDBHSA-N 1 2 340.379 3.303 20 5 EGBDLO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000731666359 575195244 /nfs/dbraw/zinc/19/52/44/575195244.db2.gz DKJCDSBHKIHBPP-SFHVURJKSA-N 1 2 340.379 3.303 20 5 EGBDLO O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000731666359 575195246 /nfs/dbraw/zinc/19/52/46/575195246.db2.gz DKJCDSBHKIHBPP-SFHVURJKSA-N 1 2 340.379 3.303 20 5 EGBDLO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743380211 576807696 /nfs/dbraw/zinc/80/76/96/576807696.db2.gz WHXRGZZXHACNKG-JQWIXIFHSA-N 1 2 345.241 3.412 20 5 EGBDLO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000743380211 576807697 /nfs/dbraw/zinc/80/76/97/576807697.db2.gz WHXRGZZXHACNKG-JQWIXIFHSA-N 1 2 345.241 3.412 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000024105886 1291241144 /nfs/dbraw/zinc/24/11/44/1291241144.db2.gz JMYUSLHPPVAWJM-INIZCTEOSA-N 1 2 330.388 3.211 20 5 EGBDLO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000024105886 1291241146 /nfs/dbraw/zinc/24/11/46/1291241146.db2.gz JMYUSLHPPVAWJM-INIZCTEOSA-N 1 2 330.388 3.211 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000834427554 1293094176 /nfs/dbraw/zinc/09/41/76/1293094176.db2.gz MQYZXCCLGYWCCX-UHFFFAOYSA-N 1 2 348.378 3.045 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000871861702 1296574954 /nfs/dbraw/zinc/57/49/54/1296574954.db2.gz NVLRGASAKLJART-UHFFFAOYSA-N 1 2 342.399 3.055 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754505163 1300156254 /nfs/dbraw/zinc/15/62/54/1300156254.db2.gz VVAHFTJFTCAIFA-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO CSc1ccc([N+](=O)[O-])c(C(=O)OCc2cc[nH+]c(N(C)C)c2)c1 ZINC000755905322 1300413535 /nfs/dbraw/zinc/41/35/35/1300413535.db2.gz RXRMQDQEFVTUTM-UHFFFAOYSA-N 1 2 347.396 3.135 20 5 EGBDLO CC(C)C[C@H]1CCCC[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000757615421 1300694455 /nfs/dbraw/zinc/69/44/55/1300694455.db2.gz UTGNVMHRFUENFR-LLVKDONJSA-N 1 2 345.241 3.412 20 5 EGBDLO CC(C)C[C@H]1CCCC[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000757615421 1300694458 /nfs/dbraw/zinc/69/44/58/1300694458.db2.gz UTGNVMHRFUENFR-LLVKDONJSA-N 1 2 345.241 3.412 20 5 EGBDLO CCOC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774635911 1303837883 /nfs/dbraw/zinc/83/78/83/1303837883.db2.gz STKAWOPLUDLUFE-UHFFFAOYSA-N 1 2 338.795 3.056 20 5 EGBDLO NC(Cc1ccccc1Cl)=[NH+]OCCOc1ccccc1[N+](=O)[O-] ZINC000782320171 1304952898 /nfs/dbraw/zinc/95/28/98/1304952898.db2.gz DYBOVRKNHHDGGU-UHFFFAOYSA-N 1 2 349.774 3.368 20 5 EGBDLO COc1c(O)ccc(C[N@H+](Cc2ccccn2)C(C)C)c1[N+](=O)[O-] ZINC000891743494 1305154362 /nfs/dbraw/zinc/15/43/62/1305154362.db2.gz FXGWXOULFGJFMQ-UHFFFAOYSA-N 1 2 331.372 3.115 20 5 EGBDLO COc1c(O)ccc(C[N@@H+](Cc2ccccn2)C(C)C)c1[N+](=O)[O-] ZINC000891743494 1305154369 /nfs/dbraw/zinc/15/43/69/1305154369.db2.gz FXGWXOULFGJFMQ-UHFFFAOYSA-N 1 2 331.372 3.115 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000784388428 1305239750 /nfs/dbraw/zinc/23/97/50/1305239750.db2.gz COUVETYXSHRYEG-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO COc1c(O)ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)c1[N+](=O)[O-] ZINC000892621682 1305475260 /nfs/dbraw/zinc/47/52/60/1305475260.db2.gz LLQUSUWBXUQHLS-GWCFXTLKSA-N 1 2 332.356 3.315 20 5 EGBDLO C[C@H]1C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@@H]1c1ccccc1 ZINC000794635144 1309562637 /nfs/dbraw/zinc/56/26/37/1309562637.db2.gz CUBZBCLLNUWFKE-LRDDRELGSA-N 1 2 339.351 3.153 20 5 EGBDLO C[C@H]1C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@@H]1c1ccccc1 ZINC000794635144 1309562644 /nfs/dbraw/zinc/56/26/44/1309562644.db2.gz CUBZBCLLNUWFKE-LRDDRELGSA-N 1 2 339.351 3.153 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000797521242 1310207100 /nfs/dbraw/zinc/20/71/00/1310207100.db2.gz UVOVTAMKXBFKCD-UHFFFAOYSA-N 1 2 341.411 3.234 20 5 EGBDLO Cc1cc(F)cc2c1C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CC2 ZINC000799950492 1310643383 /nfs/dbraw/zinc/64/33/83/1310643383.db2.gz NPEBITDZNPYPLY-UHFFFAOYSA-N 1 2 340.358 3.408 20 5 EGBDLO Cc1cc(F)cc2c1C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CC2 ZINC000799950492 1310643390 /nfs/dbraw/zinc/64/33/90/1310643390.db2.gz NPEBITDZNPYPLY-UHFFFAOYSA-N 1 2 340.358 3.408 20 5 EGBDLO Cc1nn(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC000808199503 1317644282 /nfs/dbraw/zinc/64/42/82/1317644282.db2.gz VZEPXHOSEAUMBN-SJORKVTESA-N 1 2 344.415 3.235 20 5 EGBDLO Cc1nn(C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC000808199503 1317644289 /nfs/dbraw/zinc/64/42/89/1317644289.db2.gz VZEPXHOSEAUMBN-SJORKVTESA-N 1 2 344.415 3.235 20 5 EGBDLO COc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1C ZINC000820677026 1319933351 /nfs/dbraw/zinc/93/33/51/1319933351.db2.gz SHNIYAMZASAPNJ-WBMJQRKESA-N 1 2 330.388 3.196 20 5 EGBDLO Cc1[nH]c(-c2cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2)[nH+]c1C ZINC000822732227 1320118205 /nfs/dbraw/zinc/11/82/05/1320118205.db2.gz UDHLDBPJEWPRMP-UHFFFAOYSA-N 1 2 330.388 3.468 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000836615880 1320511668 /nfs/dbraw/zinc/51/16/68/1320511668.db2.gz XCKLIGLBBZXPCT-LBPRGKRZSA-N 1 2 348.790 3.230 20 5 EGBDLO COc1cc(NCCc2[nH+]cc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000848755922 1322004608 /nfs/dbraw/zinc/00/46/08/1322004608.db2.gz LQYMSKRPHSYJGX-UHFFFAOYSA-N 1 2 331.372 3.278 20 5 EGBDLO C[N@@H+](CC1=CCSC1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000931071729 1329042115 /nfs/dbraw/zinc/04/21/15/1329042115.db2.gz OIAYYTOQNHXPKO-UHFFFAOYSA-N 1 2 343.246 3.462 20 5 EGBDLO C[N@H+](CC1=CCSC1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000931071729 1329042112 /nfs/dbraw/zinc/04/21/12/1329042112.db2.gz OIAYYTOQNHXPKO-UHFFFAOYSA-N 1 2 343.246 3.462 20 5 EGBDLO Cc1ccc2c(c1)C[N@@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000853533450 1325116151 /nfs/dbraw/zinc/11/61/51/1325116151.db2.gz HSSUNWFYXIRZPR-UHFFFAOYSA-N 1 2 349.394 3.178 20 5 EGBDLO Cc1ccc2c(c1)C[N@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000853533450 1325116157 /nfs/dbraw/zinc/11/61/57/1325116157.db2.gz HSSUNWFYXIRZPR-UHFFFAOYSA-N 1 2 349.394 3.178 20 5 EGBDLO O=[N+]([O-])c1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cn1 ZINC001203566924 1370171922 /nfs/dbraw/zinc/17/19/22/1370171922.db2.gz UXIUIWLIFQMQCG-UHFFFAOYSA-N 1 2 334.133 3.144 20 5 EGBDLO O=[N+]([O-])c1cccc(Nc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC001204455340 1370481782 /nfs/dbraw/zinc/48/17/82/1370481782.db2.gz AGBHEWIFDFWKRI-UHFFFAOYSA-N 1 2 343.383 3.049 20 5 EGBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1F ZINC001116438977 1370911543 /nfs/dbraw/zinc/91/15/43/1370911543.db2.gz ZZMGHOFEKAJTDJ-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CCOC(=O)c1cc(Nc2[nH+]c3ccccc3n2C)cc([N+](=O)[O-])c1 ZINC001211364934 1372540397 /nfs/dbraw/zinc/54/03/97/1372540397.db2.gz VKHVXVRMUGPOIM-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO O=c1oc2cc(O[C@H]3CCc4[nH+]ccn4C3)ccc2c2ccc(O)cc12 ZINC001229797461 1375893813 /nfs/dbraw/zinc/89/38/13/1375893813.db2.gz CBIJTWHGHSWUOA-AWEZNQCLSA-N 1 2 348.358 3.242 20 5 EGBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001156775454 1380633230 /nfs/dbraw/zinc/63/32/30/1380633230.db2.gz HPTVLIJASGLYAG-UHFFFAOYSA-N 1 2 343.774 3.465 20 5 EGBDLO CC(C)n1c[nH+]cc1CNc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001161562705 1382440473 /nfs/dbraw/zinc/44/04/73/1382440473.db2.gz AMPSCNGWNFJEQS-UHFFFAOYSA-N 1 2 331.163 3.081 20 5 EGBDLO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178118640 1386134742 /nfs/dbraw/zinc/13/47/42/1386134742.db2.gz WXKIBYQPYIRJSK-CQSZACIVSA-N 1 2 343.390 3.181 20 5 EGBDLO CC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000178285862 529639315 /nfs/dbraw/zinc/63/93/15/529639315.db2.gz SNXYNSFRMREQRW-HNNXBMFYSA-N 1 2 329.404 3.154 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)cc1F ZINC000241862499 243003013 /nfs/dbraw/zinc/00/30/13/243003013.db2.gz SQOBGWMYWYHKIG-UHFFFAOYSA-N 1 2 349.337 3.311 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000111177198 220106029 /nfs/dbraw/zinc/10/60/29/220106029.db2.gz BXHMQNGDUREWNJ-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000264491500 246562489 /nfs/dbraw/zinc/56/24/89/246562489.db2.gz SUSGOTHTWOTVHU-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264732662 246843085 /nfs/dbraw/zinc/84/30/85/246843085.db2.gz NXLMHDXZGLSGFQ-LBPRGKRZSA-N 1 2 329.360 3.038 20 5 EGBDLO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnn(C)c1 ZINC000266123185 248113162 /nfs/dbraw/zinc/11/31/62/248113162.db2.gz ALSZWAWJLKJGDN-LLVKDONJSA-N 1 2 343.412 3.303 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2nc(-c3ccco3)no2)C2CC2)c1 ZINC000153284590 224083929 /nfs/dbraw/zinc/08/39/29/224083929.db2.gz CNHNZSKRYSZXQY-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2nc(-c3ccco3)no2)C2CC2)c1 ZINC000153284590 224083931 /nfs/dbraw/zinc/08/39/31/224083931.db2.gz CNHNZSKRYSZXQY-UHFFFAOYSA-N 1 2 340.339 3.402 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Br ZINC000269005708 255512671 /nfs/dbraw/zinc/51/26/71/255512671.db2.gz ZNBQVESJKCIFEW-UHFFFAOYSA-N 1 2 339.193 3.080 20 5 EGBDLO CSCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000186969269 533552923 /nfs/dbraw/zinc/55/29/23/533552923.db2.gz GYFDJKBAYUDQOH-UHFFFAOYSA-N 1 2 348.428 3.044 20 5 EGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000172837667 144029972 /nfs/dbraw/zinc/02/99/72/144029972.db2.gz BYCLKQVUSRZRFN-UHFFFAOYSA-N 1 2 336.351 3.177 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC(C)(C)C1 ZINC000173817955 144049307 /nfs/dbraw/zinc/04/93/07/144049307.db2.gz NEURWPNRUJWWDO-JTQLQIEISA-N 1 2 325.796 3.307 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC(C)(C)C1 ZINC000173817955 144049309 /nfs/dbraw/zinc/04/93/09/144049309.db2.gz NEURWPNRUJWWDO-JTQLQIEISA-N 1 2 325.796 3.307 20 5 EGBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341294704 155231657 /nfs/dbraw/zinc/23/16/57/155231657.db2.gz BCRVMLLKFPRQFQ-UHFFFAOYSA-N 1 2 342.399 3.124 20 5 EGBDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190032161 153113609 /nfs/dbraw/zinc/11/36/09/153113609.db2.gz MOWIHVAKMSBCQE-SFHVURJKSA-N 1 2 342.351 3.136 20 5 EGBDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000190032161 153113612 /nfs/dbraw/zinc/11/36/12/153113612.db2.gz MOWIHVAKMSBCQE-SFHVURJKSA-N 1 2 342.351 3.136 20 5 EGBDLO Cc1cc(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)[nH]1 ZINC000348958260 156300546 /nfs/dbraw/zinc/30/05/46/156300546.db2.gz SJVHYJYEUQWFFV-UHFFFAOYSA-N 1 2 327.384 3.387 20 5 EGBDLO Cc1cc(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)[nH]1 ZINC000348958260 156300550 /nfs/dbraw/zinc/30/05/50/156300550.db2.gz SJVHYJYEUQWFFV-UHFFFAOYSA-N 1 2 327.384 3.387 20 5 EGBDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000248754503 163033230 /nfs/dbraw/zinc/03/32/30/163033230.db2.gz IOFFIUWXTWYEGZ-YCPHGPKFSA-N 1 2 333.432 3.110 20 5 EGBDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000248754503 163033232 /nfs/dbraw/zinc/03/32/32/163033232.db2.gz IOFFIUWXTWYEGZ-YCPHGPKFSA-N 1 2 333.432 3.110 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000305159861 163076115 /nfs/dbraw/zinc/07/61/15/163076115.db2.gz FAQBSUPHZAYBIL-MOPGFXCFSA-N 1 2 342.395 3.010 20 5 EGBDLO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000305159861 163076118 /nfs/dbraw/zinc/07/61/18/163076118.db2.gz FAQBSUPHZAYBIL-MOPGFXCFSA-N 1 2 342.395 3.010 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000337232601 163172176 /nfs/dbraw/zinc/17/21/76/163172176.db2.gz VQPYUMNFKAAJOR-CQSZACIVSA-N 1 2 342.729 3.350 20 5 EGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344268554 164142155 /nfs/dbraw/zinc/14/21/55/164142155.db2.gz ZHFYKKZMJFVCHY-UHFFFAOYSA-N 1 2 326.287 3.376 20 5 EGBDLO CCc1ccc([C@H]([NH2+]C[C@@H](O)C(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346569266 164399058 /nfs/dbraw/zinc/39/90/58/164399058.db2.gz XMWSTGUFQRLGDY-UKRRQHHQSA-N 1 2 340.326 3.055 20 5 EGBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000350246336 165021776 /nfs/dbraw/zinc/02/17/76/165021776.db2.gz IRYNKQAAXDYMRC-VIFPVBQESA-N 1 2 325.365 3.188 20 5 EGBDLO Cc1cc(NCC[N@H+]2CCOC[C@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359880073 167256281 /nfs/dbraw/zinc/25/62/81/167256281.db2.gz PIFKZRBUQJYESI-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359880073 167256285 /nfs/dbraw/zinc/25/62/85/167256285.db2.gz PIFKZRBUQJYESI-LLVKDONJSA-N 1 2 347.337 3.055 20 5 EGBDLO CC(=O)c1ccc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000366755317 168136008 /nfs/dbraw/zinc/13/60/08/168136008.db2.gz AEWKYZKFDHYCIL-QGZVFWFLSA-N 1 2 325.368 3.396 20 5 EGBDLO CC(=O)c1ccc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000366755317 168136010 /nfs/dbraw/zinc/13/60/10/168136010.db2.gz AEWKYZKFDHYCIL-QGZVFWFLSA-N 1 2 325.368 3.396 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1NCCCCNc1cccc[nH+]1)CCN2 ZINC000275310503 267344333 /nfs/dbraw/zinc/34/43/33/267344333.db2.gz BWNSNUSSBGMHSA-UHFFFAOYSA-N 1 2 327.388 3.262 20 5 EGBDLO CSc1ccc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000278698880 275266613 /nfs/dbraw/zinc/26/66/13/275266613.db2.gz RVAUYKUGKRKRIC-CYBMUJFWSA-N 1 2 334.401 3.167 20 5 EGBDLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279243326 275315557 /nfs/dbraw/zinc/31/55/57/275315557.db2.gz KLABCCFXTFBJFJ-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279243326 275315558 /nfs/dbraw/zinc/31/55/58/275315558.db2.gz KLABCCFXTFBJFJ-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O2 ZINC000279787406 275359403 /nfs/dbraw/zinc/35/94/03/275359403.db2.gz OAQNNFJSTUZWGK-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O2 ZINC000279787406 275359404 /nfs/dbraw/zinc/35/94/04/275359404.db2.gz OAQNNFJSTUZWGK-BFQNTYOBSA-N 1 2 340.807 3.017 20 5 EGBDLO Nc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000283457568 275725207 /nfs/dbraw/zinc/72/52/07/275725207.db2.gz FCVBYQCAQAYDPO-UHFFFAOYSA-N 1 2 327.388 3.174 20 5 EGBDLO CC(C)Oc1cc[nH+]cc1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000286943456 276061037 /nfs/dbraw/zinc/06/10/37/276061037.db2.gz MGBDBMGZPXVUFK-UHFFFAOYSA-N 1 2 330.340 3.063 20 5 EGBDLO COCc1nc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000289585623 276361905 /nfs/dbraw/zinc/36/19/05/276361905.db2.gz BSYHGGOXBHQDMF-HNNXBMFYSA-N 1 2 333.413 3.365 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000289754971 276388615 /nfs/dbraw/zinc/38/86/15/276388615.db2.gz KGVOKCNKCMTOTL-CYBMUJFWSA-N 1 2 343.387 3.292 20 5 EGBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC1(F)F ZINC000289757471 276389088 /nfs/dbraw/zinc/38/90/88/276389088.db2.gz KLXCBMKRXWYNRB-JTQLQIEISA-N 1 2 338.314 3.122 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCC1(F)F ZINC000289757471 276389091 /nfs/dbraw/zinc/38/90/91/276389091.db2.gz KLXCBMKRXWYNRB-JTQLQIEISA-N 1 2 338.314 3.122 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000136748404 280190320 /nfs/dbraw/zinc/19/03/20/280190320.db2.gz AQHWZAXFNZWNFV-ZDUSSCGKSA-N 1 2 334.763 3.339 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000338883531 280369013 /nfs/dbraw/zinc/36/90/13/280369013.db2.gz PWRNEECISBTYTO-UHFFFAOYSA-N 1 2 328.368 3.386 20 5 EGBDLO C[C@H](c1ccco1)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000086235390 290273076 /nfs/dbraw/zinc/27/30/76/290273076.db2.gz QBHHTSFLSQZIQX-LLVKDONJSA-N 1 2 329.356 3.012 20 5 EGBDLO C[C@H](c1ccco1)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000086235390 290273079 /nfs/dbraw/zinc/27/30/79/290273079.db2.gz QBHHTSFLSQZIQX-LLVKDONJSA-N 1 2 329.356 3.012 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000058958576 307350345 /nfs/dbraw/zinc/35/03/45/307350345.db2.gz PBOOBQIGSBMLMK-UHFFFAOYSA-N 1 2 343.383 3.196 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccccn1 ZINC000295174239 308299617 /nfs/dbraw/zinc/29/96/17/308299617.db2.gz OVCRLEBWHYKFJQ-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccn1 ZINC000295174239 308299618 /nfs/dbraw/zinc/29/96/18/308299618.db2.gz OVCRLEBWHYKFJQ-LLVKDONJSA-N 1 2 348.790 3.102 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000295364263 308318951 /nfs/dbraw/zinc/31/89/51/308318951.db2.gz CPVCERLSFCYJMZ-CYBMUJFWSA-N 1 2 348.790 3.205 20 5 EGBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC3)[nH]1)CCCC2 ZINC000417325795 309201692 /nfs/dbraw/zinc/20/16/92/309201692.db2.gz CGFMVUSRBBPLRI-HNNXBMFYSA-N 1 2 327.388 3.148 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000421297624 309318069 /nfs/dbraw/zinc/31/80/69/309318069.db2.gz RIPBWRXJSUEQRO-HNNXBMFYSA-N 1 2 346.387 3.043 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000421297624 309318070 /nfs/dbraw/zinc/31/80/70/309318070.db2.gz RIPBWRXJSUEQRO-HNNXBMFYSA-N 1 2 346.387 3.043 20 5 EGBDLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)c(Br)cc1[N+](=O)[O-] ZINC000428108006 309542443 /nfs/dbraw/zinc/54/24/43/309542443.db2.gz OYNZTFZJTPNXRT-UHFFFAOYSA-N 1 2 325.166 3.025 20 5 EGBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1cn2ccccc2[nH+]1 ZINC000436265901 309751237 /nfs/dbraw/zinc/75/12/37/309751237.db2.gz NAGOJEGJFRUQBK-UHFFFAOYSA-N 1 2 337.261 3.268 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)c2c3c(ccc2[N+](=O)[O-])NCC3)c1C ZINC000436318092 309752597 /nfs/dbraw/zinc/75/25/97/309752597.db2.gz OCGQKZJZLFBHQL-UHFFFAOYSA-N 1 2 342.399 3.220 20 5 EGBDLO COc1cc(C[NH+]2CC3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000449371898 310057172 /nfs/dbraw/zinc/05/71/72/310057172.db2.gz ZVESDKIYSSKLDE-UHFFFAOYSA-N 1 2 346.305 3.140 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000449765582 310085749 /nfs/dbraw/zinc/08/57/49/310085749.db2.gz JFGPHOYWOVBNDM-INIZCTEOSA-N 1 2 348.424 3.355 20 5 EGBDLO CC[C@H]1C[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450012234 310098765 /nfs/dbraw/zinc/09/87/65/310098765.db2.gz ZBAMKYKSOQHHKK-JSGCOSHPSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)c2[nH+]ccn21 ZINC000450829749 310144645 /nfs/dbraw/zinc/14/46/45/310144645.db2.gz NCENPNDISDUTOE-GMSGAONNSA-N 1 2 338.165 3.067 20 5 EGBDLO COC[C@@H]1CCCCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450942005 310151234 /nfs/dbraw/zinc/15/12/34/310151234.db2.gz QOEJHIOFDXAGFG-INIZCTEOSA-N 1 2 342.399 3.366 20 5 EGBDLO C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451184606 310164750 /nfs/dbraw/zinc/16/47/50/310164750.db2.gz ANPKUKPDKQWHGX-TZMCWYRMSA-N 1 2 328.372 3.041 20 5 EGBDLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451554116 310186020 /nfs/dbraw/zinc/18/60/20/310186020.db2.gz ZHZDDKQHPCGALP-AWEZNQCLSA-N 1 2 343.431 3.390 20 5 EGBDLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451554116 310186021 /nfs/dbraw/zinc/18/60/21/310186021.db2.gz ZHZDDKQHPCGALP-AWEZNQCLSA-N 1 2 343.431 3.390 20 5 EGBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(C1CCC1)C1CCC1 ZINC000452349194 310224480 /nfs/dbraw/zinc/22/44/80/310224480.db2.gz BEOABABDWVFNPU-UHFFFAOYSA-N 1 2 340.383 3.328 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000454607710 310319688 /nfs/dbraw/zinc/31/96/88/310319688.db2.gz KOKSAYKCPYOCDN-STQMWFEESA-N 1 2 345.403 3.241 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455137883 310346520 /nfs/dbraw/zinc/34/65/20/310346520.db2.gz IXSNQCBNSBSXLJ-YPMHNXCESA-N 1 2 329.360 3.236 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455242620 310351799 /nfs/dbraw/zinc/35/17/99/310351799.db2.gz HHOIRLBHPKXKGP-DGCLKSJQSA-N 1 2 329.360 3.236 20 5 EGBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC=CCC1 ZINC000458331725 310498604 /nfs/dbraw/zinc/49/86/04/310498604.db2.gz HACCQEBAMZBXEB-KRWDZBQOSA-N 1 2 326.356 3.009 20 5 EGBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000491353186 311175089 /nfs/dbraw/zinc/17/50/89/311175089.db2.gz UESLGBHLGBZMQI-AJHXJQRKSA-N 1 2 326.356 3.085 20 5 EGBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000492273371 311232471 /nfs/dbraw/zinc/23/24/71/311232471.db2.gz KFVHAKSRTGQPBA-XFBWCDHKSA-N 1 2 340.807 3.017 20 5 EGBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000492273371 311232472 /nfs/dbraw/zinc/23/24/72/311232472.db2.gz KFVHAKSRTGQPBA-XFBWCDHKSA-N 1 2 340.807 3.017 20 5 EGBDLO CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000504541778 312007726 /nfs/dbraw/zinc/00/77/26/312007726.db2.gz ORNDWURZKJSTPI-UHFFFAOYSA-N 1 2 345.424 3.034 20 5 EGBDLO CC1(C)CNC(=O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000504541778 312007727 /nfs/dbraw/zinc/00/77/27/312007727.db2.gz ORNDWURZKJSTPI-UHFFFAOYSA-N 1 2 345.424 3.034 20 5 EGBDLO COc1cccc(N2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000505613177 312028764 /nfs/dbraw/zinc/02/87/64/312028764.db2.gz TYOXVYLQLKJSJU-UHFFFAOYSA-N 1 2 345.374 3.065 20 5 EGBDLO CCOC(=O)C[N@H+](CC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000535080137 314025266 /nfs/dbraw/zinc/02/52/66/314025266.db2.gz PBSXRWUKVXCLKK-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000535080137 314025270 /nfs/dbraw/zinc/02/52/70/314025270.db2.gz PBSXRWUKVXCLKK-UHFFFAOYSA-N 1 2 332.356 3.240 20 5 EGBDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000536683301 314138110 /nfs/dbraw/zinc/13/81/10/314138110.db2.gz VLBIYASHRNWNCH-QCSXQHJISA-N 1 2 340.379 3.454 20 5 EGBDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000536683301 314138112 /nfs/dbraw/zinc/13/81/12/314138112.db2.gz VLBIYASHRNWNCH-QCSXQHJISA-N 1 2 340.379 3.454 20 5 EGBDLO CCOC(=O)c1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000540477607 314383117 /nfs/dbraw/zinc/38/31/17/314383117.db2.gz RGURKYDMGWJGCD-NSHDSACASA-N 1 2 349.412 3.387 20 5 EGBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)c[nH+]1 ZINC000567239349 316589219 /nfs/dbraw/zinc/58/92/19/316589219.db2.gz DIOZLYTVIADNCY-UHFFFAOYSA-N 1 2 326.278 3.367 20 5 EGBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCCCC2)[nH+]cn1 ZINC000171684728 323246601 /nfs/dbraw/zinc/24/66/01/323246601.db2.gz PQVIYXCTUCJSCB-UHFFFAOYSA-N 1 2 327.388 3.012 20 5 EGBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCCCC2)nc[nH+]1 ZINC000171684728 323246605 /nfs/dbraw/zinc/24/66/05/323246605.db2.gz PQVIYXCTUCJSCB-UHFFFAOYSA-N 1 2 327.388 3.012 20 5 EGBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000173976193 323299510 /nfs/dbraw/zinc/29/95/10/323299510.db2.gz BKVIINSYDUTIEM-ZDUSSCGKSA-N 1 2 338.367 3.419 20 5 EGBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000174010375 323300338 /nfs/dbraw/zinc/30/03/38/323300338.db2.gz ZMIASANHGHYMSZ-ZDUSSCGKSA-N 1 2 338.367 3.419 20 5 EGBDLO CSc1ccc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000582851286 325474851 /nfs/dbraw/zinc/47/48/51/325474851.db2.gz MEZKPTZTXGRHDW-UHFFFAOYSA-N 1 2 334.401 3.013 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591654 453613709 /nfs/dbraw/zinc/61/37/09/453613709.db2.gz JKAVATAOJJFCEL-LLVKDONJSA-N 1 2 345.321 3.116 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000016591654 453613712 /nfs/dbraw/zinc/61/37/12/453613712.db2.gz JKAVATAOJJFCEL-LLVKDONJSA-N 1 2 345.321 3.116 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000021919901 453684806 /nfs/dbraw/zinc/68/48/06/453684806.db2.gz WHCKYVNGWDHDKV-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000021919901 453684807 /nfs/dbraw/zinc/68/48/07/453684807.db2.gz WHCKYVNGWDHDKV-UHFFFAOYSA-N 1 2 331.347 3.113 20 5 EGBDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348612 453797635 /nfs/dbraw/zinc/79/76/35/453797635.db2.gz DHFJTYJFVNSLCV-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348612 453797638 /nfs/dbraw/zinc/79/76/38/453797638.db2.gz DHFJTYJFVNSLCV-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348606 453797798 /nfs/dbraw/zinc/79/77/98/453797798.db2.gz ICCNJWDQZSXPGE-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348606 453797799 /nfs/dbraw/zinc/79/77/99/453797799.db2.gz ICCNJWDQZSXPGE-NSHDSACASA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026372408 453798091 /nfs/dbraw/zinc/79/80/91/453798091.db2.gz OVQRSGVVMUDVSJ-NSHDSACASA-N 1 2 342.380 3.362 20 5 EGBDLO O=[N+]([O-])c1ccc(NCCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000028625092 453824066 /nfs/dbraw/zinc/82/40/66/453824066.db2.gz ASNKHZJBDLCHDB-UHFFFAOYSA-N 1 2 341.327 3.424 20 5 EGBDLO Cc1c(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000066865865 453881815 /nfs/dbraw/zinc/88/18/15/453881815.db2.gz SZTHFUWDSGDGOY-UHFFFAOYSA-N 1 2 345.443 3.128 20 5 EGBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000066866579 453881913 /nfs/dbraw/zinc/88/19/13/453881913.db2.gz SXNVDGBOJMXRNE-HNNXBMFYSA-N 1 2 345.443 3.380 20 5 EGBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000032845098 453893975 /nfs/dbraw/zinc/89/39/75/453893975.db2.gz SKIZFPCELOOJCS-HNNXBMFYSA-N 1 2 327.319 3.064 20 5 EGBDLO Cc1csc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000075637332 453914394 /nfs/dbraw/zinc/91/43/94/453914394.db2.gz PUOQGSRFFKPPAB-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO Cc1cc(NCCc2ccccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389464 453927545 /nfs/dbraw/zinc/92/75/45/453927545.db2.gz BPBHNMIRAYXQHQ-UHFFFAOYSA-N 1 2 335.367 3.410 20 5 EGBDLO CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000069527767 454116122 /nfs/dbraw/zinc/11/61/22/454116122.db2.gz PYIFRBCOJPBLBK-UHFFFAOYSA-N 1 2 347.440 3.380 20 5 EGBDLO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000069527767 454116125 /nfs/dbraw/zinc/11/61/25/454116125.db2.gz PYIFRBCOJPBLBK-UHFFFAOYSA-N 1 2 347.440 3.380 20 5 EGBDLO CCOc1cc(C(=O)Nc2ccc(C)[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000119338079 454187895 /nfs/dbraw/zinc/18/78/95/454187895.db2.gz PXSFWOAFJRASKS-UHFFFAOYSA-N 1 2 345.355 3.266 20 5 EGBDLO O=[N+]([O-])c1c(NCCCCNc2cccc[nH+]2)nc2sccn21 ZINC000060369801 454282486 /nfs/dbraw/zinc/28/24/86/454282486.db2.gz RKPZQFGSSFFEPK-UHFFFAOYSA-N 1 2 332.389 3.003 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(c4ccccc4)CC3)o2)cc1 ZINC000072604910 454316831 /nfs/dbraw/zinc/31/68/31/454316831.db2.gz DEVGMKCSAUMZSN-UHFFFAOYSA-N 1 2 336.351 3.424 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000120772636 454345550 /nfs/dbraw/zinc/34/55/50/454345550.db2.gz HDQLAHCTWBXUOZ-CXAGYDPISA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000120772636 454345556 /nfs/dbraw/zinc/34/55/56/454345556.db2.gz HDQLAHCTWBXUOZ-CXAGYDPISA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000120772806 454345591 /nfs/dbraw/zinc/34/55/91/454345591.db2.gz HDQLAHCTWBXUOZ-SUMWQHHRSA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000120772806 454345595 /nfs/dbraw/zinc/34/55/95/454345595.db2.gz HDQLAHCTWBXUOZ-SUMWQHHRSA-N 1 2 348.424 3.497 20 5 EGBDLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000091591126 454447806 /nfs/dbraw/zinc/44/78/06/454447806.db2.gz HYHLUULNIURLGJ-GFCCVEGCSA-N 1 2 344.367 3.402 20 5 EGBDLO COC(=O)c1oc([C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000091591126 454447811 /nfs/dbraw/zinc/44/78/11/454447811.db2.gz HYHLUULNIURLGJ-GFCCVEGCSA-N 1 2 344.367 3.402 20 5 EGBDLO Cc1csc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000133823686 454471108 /nfs/dbraw/zinc/47/11/08/454471108.db2.gz DZNQZEZHEGRCID-GQCTYLIASA-N 1 2 344.440 3.195 20 5 EGBDLO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000064483056 454486377 /nfs/dbraw/zinc/48/63/77/454486377.db2.gz CTOYUEUABSIVLT-INIZCTEOSA-N 1 2 346.383 3.378 20 5 EGBDLO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000064483056 454486380 /nfs/dbraw/zinc/48/63/80/454486380.db2.gz CTOYUEUABSIVLT-INIZCTEOSA-N 1 2 346.383 3.378 20 5 EGBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231144 454650217 /nfs/dbraw/zinc/65/02/17/454650217.db2.gz WEQQNUGNAONLCO-WMLDXEAASA-N 1 2 345.443 3.254 20 5 EGBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135231144 454650225 /nfs/dbraw/zinc/65/02/25/454650225.db2.gz WEQQNUGNAONLCO-WMLDXEAASA-N 1 2 345.443 3.254 20 5 EGBDLO CC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000152674550 454710686 /nfs/dbraw/zinc/71/06/86/454710686.db2.gz APTOZXBQWIOBOB-KRWDZBQOSA-N 1 2 337.383 3.416 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000163031147 454817891 /nfs/dbraw/zinc/81/78/91/454817891.db2.gz PIHKSJJRCKLSCV-BLLLJJGKSA-N 1 2 343.387 3.215 20 5 EGBDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000140296650 454818987 /nfs/dbraw/zinc/81/89/87/454818987.db2.gz UZUOGBDXMCYVQR-MRXNPFEDSA-N 1 2 340.383 3.074 20 5 EGBDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000140296650 454818989 /nfs/dbraw/zinc/81/89/89/454818989.db2.gz UZUOGBDXMCYVQR-MRXNPFEDSA-N 1 2 340.383 3.074 20 5 EGBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1OC ZINC000127424795 454962601 /nfs/dbraw/zinc/96/26/01/454962601.db2.gz XARHDCUMWXZXCA-CQSZACIVSA-N 1 2 331.372 3.277 20 5 EGBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1OC ZINC000127424795 454962604 /nfs/dbraw/zinc/96/26/04/454962604.db2.gz XARHDCUMWXZXCA-CQSZACIVSA-N 1 2 331.372 3.277 20 5 EGBDLO CC[N@H+](CCCNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000183615086 455312095 /nfs/dbraw/zinc/31/20/95/455312095.db2.gz AOPXZHPPCNPORL-UHFFFAOYSA-N 1 2 343.387 3.028 20 5 EGBDLO CC[N@@H+](CCCNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000183615086 455312099 /nfs/dbraw/zinc/31/20/99/455312099.db2.gz AOPXZHPPCNPORL-UHFFFAOYSA-N 1 2 343.387 3.028 20 5 EGBDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000184687986 455428337 /nfs/dbraw/zinc/42/83/37/455428337.db2.gz UFEMGGXTTHXSJF-NSHDSACASA-N 1 2 348.428 3.211 20 5 EGBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000192179409 455569407 /nfs/dbraw/zinc/56/94/07/455569407.db2.gz TYPUJZDANQRNKW-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000192179409 455569414 /nfs/dbraw/zinc/56/94/14/455569414.db2.gz TYPUJZDANQRNKW-SNVBAGLBSA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000192186735 455570179 /nfs/dbraw/zinc/57/01/79/455570179.db2.gz QYZQLRPFUYOIPT-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000192186735 455570184 /nfs/dbraw/zinc/57/01/84/455570184.db2.gz QYZQLRPFUYOIPT-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO CC(=O)Nc1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000292204694 455595065 /nfs/dbraw/zinc/59/50/65/455595065.db2.gz SOEZAEQTNXNNCX-UHFFFAOYSA-N 1 2 334.401 3.035 20 5 EGBDLO Cc1cc(N2CCO[C@@H]3CCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270225114 455906850 /nfs/dbraw/zinc/90/68/50/455906850.db2.gz NWJXHRYYNKCSTO-HZPDHXFCSA-N 1 2 340.383 3.118 20 5 EGBDLO Cc1csc([C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000195389389 455954327 /nfs/dbraw/zinc/95/43/27/455954327.db2.gz OGBLTOFSYQOFMB-WFASDCNBSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1csc([C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000195389389 455954331 /nfs/dbraw/zinc/95/43/31/455954331.db2.gz OGBLTOFSYQOFMB-WFASDCNBSA-N 1 2 333.413 3.494 20 5 EGBDLO Cc1cccc(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])[nH+]1 ZINC000280466539 455977621 /nfs/dbraw/zinc/97/76/21/455977621.db2.gz MRHGJVUUCAMZAS-UHFFFAOYSA-N 1 2 326.278 3.367 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000289935434 456188222 /nfs/dbraw/zinc/18/82/22/456188222.db2.gz WQOCTCFTQDEKAU-UHFFFAOYSA-N 1 2 343.387 3.223 20 5 EGBDLO Cc1cc(N2CC[NH+](C(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302716074 456382452 /nfs/dbraw/zinc/38/24/52/456382452.db2.gz YGOZPGODPYVEKI-UHFFFAOYSA-N 1 2 342.237 3.196 20 5 EGBDLO Cc1cncc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000340572218 456538546 /nfs/dbraw/zinc/53/85/46/456538546.db2.gz JWLNIYWTGNLJIF-UHFFFAOYSA-N 1 2 335.367 3.098 20 5 EGBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC000277413763 456817333 /nfs/dbraw/zinc/81/73/33/456817333.db2.gz LVSKLCLAJCVYDQ-WDEREUQCSA-N 1 2 333.392 3.086 20 5 EGBDLO Cc1noc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000339085081 456933091 /nfs/dbraw/zinc/93/30/91/456933091.db2.gz UQAIHUTZUQCTTK-ZETCQYMHSA-N 1 2 330.266 3.156 20 5 EGBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341884133 456985794 /nfs/dbraw/zinc/98/57/94/456985794.db2.gz FWERYLOLHPVGQY-UHFFFAOYSA-N 1 2 342.399 3.124 20 5 EGBDLO CC[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000362673984 457037389 /nfs/dbraw/zinc/03/73/89/457037389.db2.gz YURQXSBGPJAJAX-GFCCVEGCSA-N 1 2 347.337 3.136 20 5 EGBDLO CC[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000362673984 457037396 /nfs/dbraw/zinc/03/73/96/457037396.db2.gz YURQXSBGPJAJAX-GFCCVEGCSA-N 1 2 347.337 3.136 20 5 EGBDLO Cc1cc(N2CCc3c([nH+]cn3-c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000349894210 457097124 /nfs/dbraw/zinc/09/71/24/457097124.db2.gz MZSWQVLGHZIOAK-UHFFFAOYSA-N 1 2 335.367 3.047 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)n1 ZINC000359986927 457187518 /nfs/dbraw/zinc/18/75/18/457187518.db2.gz LTFMBWTUWSVXPY-CHWSQXEVSA-N 1 2 343.387 3.050 20 5 EGBDLO Cc1oc2nc(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])nc(N)c2c1C ZINC000342278211 457207228 /nfs/dbraw/zinc/20/72/28/457207228.db2.gz ILOQCNVMONSHOA-SNVBAGLBSA-N 1 2 341.371 3.181 20 5 EGBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331983808 457283802 /nfs/dbraw/zinc/28/38/02/457283802.db2.gz LOSYCQXGXPMKRV-RLCCDNCMSA-N 1 2 336.363 3.040 20 5 EGBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331983808 457283806 /nfs/dbraw/zinc/28/38/06/457283806.db2.gz LOSYCQXGXPMKRV-RLCCDNCMSA-N 1 2 336.363 3.040 20 5 EGBDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332028009 457291161 /nfs/dbraw/zinc/29/11/61/457291161.db2.gz YYYSJSBAJNQCGV-VFAJRCTISA-N 1 2 334.416 3.062 20 5 EGBDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332028009 457291169 /nfs/dbraw/zinc/29/11/69/457291169.db2.gz YYYSJSBAJNQCGV-VFAJRCTISA-N 1 2 334.416 3.062 20 5 EGBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000347242543 457306965 /nfs/dbraw/zinc/30/69/65/457306965.db2.gz UKMCPIKSGGBBKG-UHFFFAOYSA-N 1 2 337.339 3.307 20 5 EGBDLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425421267 457546151 /nfs/dbraw/zinc/54/61/51/457546151.db2.gz NOBVVUGJMWOTPH-GXFFZTMASA-N 1 2 343.221 3.093 20 5 EGBDLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425421267 457546156 /nfs/dbraw/zinc/54/61/56/457546156.db2.gz NOBVVUGJMWOTPH-GXFFZTMASA-N 1 2 343.221 3.093 20 5 EGBDLO CCCCOC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444652585 457928958 /nfs/dbraw/zinc/92/89/58/457928958.db2.gz JOMRSSNZHAEWDS-UHFFFAOYSA-N 1 2 332.404 3.252 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000434632043 458025418 /nfs/dbraw/zinc/02/54/18/458025418.db2.gz YVJBUYXMRWDAPK-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000434632043 458025425 /nfs/dbraw/zinc/02/54/25/458025425.db2.gz YVJBUYXMRWDAPK-UHFFFAOYSA-N 1 2 332.331 3.007 20 5 EGBDLO CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412026288 458050602 /nfs/dbraw/zinc/05/06/02/458050602.db2.gz LDEOQEJOQJBEOJ-ZDUSSCGKSA-N 1 2 331.372 3.345 20 5 EGBDLO CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000412026288 458050607 /nfs/dbraw/zinc/05/06/07/458050607.db2.gz LDEOQEJOQJBEOJ-ZDUSSCGKSA-N 1 2 331.372 3.345 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000372251138 458249038 /nfs/dbraw/zinc/24/90/38/458249038.db2.gz XJQARDPMWAFQSF-ZDUSSCGKSA-N 1 2 343.387 3.107 20 5 EGBDLO C[C@H]1C[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000459126260 458271261 /nfs/dbraw/zinc/27/12/61/458271261.db2.gz WPPBJPLWFFJMCY-WCQYABFASA-N 1 2 343.387 3.032 20 5 EGBDLO CC1(C)CC[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447804873 458344023 /nfs/dbraw/zinc/34/40/23/458344023.db2.gz HALRWUWGPMHMIB-OAHLLOKOSA-N 1 2 333.432 3.418 20 5 EGBDLO CCOc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1O ZINC000459555813 458409358 /nfs/dbraw/zinc/40/93/58/458409358.db2.gz IZDVIXJTIPMKQV-UHFFFAOYSA-N 1 2 344.367 3.094 20 5 EGBDLO CCOc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1O ZINC000459555813 458409361 /nfs/dbraw/zinc/40/93/61/458409361.db2.gz IZDVIXJTIPMKQV-UHFFFAOYSA-N 1 2 344.367 3.094 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000430202591 458421188 /nfs/dbraw/zinc/42/11/88/458421188.db2.gz GLNOQPMRISHEFF-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(cccc2OC)C1 ZINC000430202591 458421194 /nfs/dbraw/zinc/42/11/94/458421194.db2.gz GLNOQPMRISHEFF-UHFFFAOYSA-N 1 2 328.368 3.170 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000430215120 458422663 /nfs/dbraw/zinc/42/26/63/458422663.db2.gz BTWYCXXHVKZVJX-SFHVURJKSA-N 1 2 342.395 3.047 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000430215120 458422668 /nfs/dbraw/zinc/42/26/68/458422668.db2.gz BTWYCXXHVKZVJX-SFHVURJKSA-N 1 2 342.395 3.047 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437585783 458470802 /nfs/dbraw/zinc/47/08/02/458470802.db2.gz XCBLHABTSUPQCV-CXAGYDPISA-N 1 2 325.368 3.369 20 5 EGBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437585783 458470810 /nfs/dbraw/zinc/47/08/10/458470810.db2.gz XCBLHABTSUPQCV-CXAGYDPISA-N 1 2 325.368 3.369 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456357058 458645500 /nfs/dbraw/zinc/64/55/00/458645500.db2.gz PDKHTNJYOWTDLR-NSHDSACASA-N 1 2 348.428 3.414 20 5 EGBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456399487 458664867 /nfs/dbraw/zinc/66/48/67/458664867.db2.gz CXCLFXGCIKPVAX-GWCFXTLKSA-N 1 2 346.412 3.339 20 5 EGBDLO Cc1cc(C)c(CNC(=O)CSc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000456844136 458797874 /nfs/dbraw/zinc/79/78/74/458797874.db2.gz HOXSVCSSJFGERW-UHFFFAOYSA-N 1 2 331.397 3.015 20 5 EGBDLO C[C@@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000519803252 459006978 /nfs/dbraw/zinc/00/69/78/459006978.db2.gz PXQGVOKFPUQURG-DOMZBBRYSA-N 1 2 328.372 3.175 20 5 EGBDLO CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1[nH]cc[nH+]1 ZINC000442807716 459040565 /nfs/dbraw/zinc/04/05/65/459040565.db2.gz FGKFLQIVZJBHLH-NSHDSACASA-N 1 2 330.369 3.414 20 5 EGBDLO Cn1nncc1CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000558462681 459162525 /nfs/dbraw/zinc/16/25/25/459162525.db2.gz ZQSLUTIISZWWAQ-UHFFFAOYSA-N 1 2 346.419 3.457 20 5 EGBDLO Cc1ccnc(OC2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000595426645 459297322 /nfs/dbraw/zinc/29/73/22/459297322.db2.gz QXVCDHZAYFXVCV-UHFFFAOYSA-N 1 2 345.374 3.481 20 5 EGBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000584104609 459655815 /nfs/dbraw/zinc/65/58/15/459655815.db2.gz VFZUFWRLUNGIIZ-YXMGTMDOSA-N 1 2 332.400 3.414 20 5 EGBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000584104609 459655820 /nfs/dbraw/zinc/65/58/20/459655820.db2.gz VFZUFWRLUNGIIZ-YXMGTMDOSA-N 1 2 332.400 3.414 20 5 EGBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000584104608 459656294 /nfs/dbraw/zinc/65/62/94/459656294.db2.gz VFZUFWRLUNGIIZ-CXOKCQFOSA-N 1 2 332.400 3.414 20 5 EGBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000584104608 459656297 /nfs/dbraw/zinc/65/62/97/459656297.db2.gz VFZUFWRLUNGIIZ-CXOKCQFOSA-N 1 2 332.400 3.414 20 5 EGBDLO CC(=O)c1cc(NCCc2cn3cccc(C)c3[nH+]2)ccc1[N+](=O)[O-] ZINC000587989959 459898850 /nfs/dbraw/zinc/89/88/50/459898850.db2.gz KTXFRAXJZXLQCF-UHFFFAOYSA-N 1 2 338.367 3.408 20 5 EGBDLO Cn1ccnc1[C@@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602439736 459939461 /nfs/dbraw/zinc/93/94/61/459939461.db2.gz MJSVYZNCUSRUQT-QGZVFWFLSA-N 1 2 326.400 3.444 20 5 EGBDLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602439736 459939464 /nfs/dbraw/zinc/93/94/64/459939464.db2.gz MJSVYZNCUSRUQT-QGZVFWFLSA-N 1 2 326.400 3.444 20 5 EGBDLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602475260 459957248 /nfs/dbraw/zinc/95/72/48/459957248.db2.gz RXNNABRJGPIXMZ-RKDXNWHRSA-N 1 2 349.250 3.154 20 5 EGBDLO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602475260 459957253 /nfs/dbraw/zinc/95/72/53/459957253.db2.gz RXNNABRJGPIXMZ-RKDXNWHRSA-N 1 2 349.250 3.154 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnnn1-c1ccccc1)C1CC1 ZINC000588963991 460011925 /nfs/dbraw/zinc/01/19/25/460011925.db2.gz FXQMEMKHFZGXMZ-UHFFFAOYSA-N 1 2 349.394 3.340 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnnn1-c1ccccc1)C1CC1 ZINC000588963991 460011933 /nfs/dbraw/zinc/01/19/33/460011933.db2.gz FXQMEMKHFZGXMZ-UHFFFAOYSA-N 1 2 349.394 3.340 20 5 EGBDLO COC(=O)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000610087501 460061006 /nfs/dbraw/zinc/06/10/06/460061006.db2.gz BJUQATKSGZTNJO-GOSISDBHSA-N 1 2 342.395 3.421 20 5 EGBDLO CC(C)O[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602702229 460074949 /nfs/dbraw/zinc/07/49/49/460074949.db2.gz PANMVVNSQWRDIB-SECBINFHSA-N 1 2 349.250 3.418 20 5 EGBDLO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602702229 460074952 /nfs/dbraw/zinc/07/49/52/460074952.db2.gz PANMVVNSQWRDIB-SECBINFHSA-N 1 2 349.250 3.418 20 5 EGBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000589373572 460081067 /nfs/dbraw/zinc/08/10/67/460081067.db2.gz WJWZFLAKXZBEEZ-OAHLLOKOSA-N 1 2 343.387 3.223 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccccc2OC)c1 ZINC000589494410 460095817 /nfs/dbraw/zinc/09/58/17/460095817.db2.gz HCRCEPBBOHMBAA-UHFFFAOYSA-N 1 2 344.367 3.022 20 5 EGBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccccc2OC)c1 ZINC000589494410 460095823 /nfs/dbraw/zinc/09/58/23/460095823.db2.gz HCRCEPBBOHMBAA-UHFFFAOYSA-N 1 2 344.367 3.022 20 5 EGBDLO CC[C@]1(O)CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602739940 460099812 /nfs/dbraw/zinc/09/98/12/460099812.db2.gz NNHJHDWOJUOZOY-LBPRGKRZSA-N 1 2 349.250 3.156 20 5 EGBDLO CC[C@]1(O)CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602739940 460099818 /nfs/dbraw/zinc/09/98/18/460099818.db2.gz NNHJHDWOJUOZOY-LBPRGKRZSA-N 1 2 349.250 3.156 20 5 EGBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c1 ZINC000610310290 460116284 /nfs/dbraw/zinc/11/62/84/460116284.db2.gz INBDRYHJEMBDQO-UHFFFAOYSA-N 1 2 340.339 3.051 20 5 EGBDLO CC(C)c1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000615268588 460301880 /nfs/dbraw/zinc/30/18/80/460301880.db2.gz NTMAQDDSADQILA-UHFFFAOYSA-N 1 2 328.372 3.432 20 5 EGBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000599683732 460310445 /nfs/dbraw/zinc/31/04/45/460310445.db2.gz XOCAOOSKZUKAHY-INIZCTEOSA-N 1 2 344.342 3.006 20 5 EGBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000599683732 460310449 /nfs/dbraw/zinc/31/04/49/460310449.db2.gz XOCAOOSKZUKAHY-INIZCTEOSA-N 1 2 344.342 3.006 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000611270332 460323278 /nfs/dbraw/zinc/32/32/78/460323278.db2.gz AZZXGWNQAUNVTC-GQCTYLIASA-N 1 2 338.363 3.410 20 5 EGBDLO COC(=O)c1ccc2c(c1)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000611270332 460323280 /nfs/dbraw/zinc/32/32/80/460323280.db2.gz AZZXGWNQAUNVTC-GQCTYLIASA-N 1 2 338.363 3.410 20 5 EGBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000611273765 460325842 /nfs/dbraw/zinc/32/58/42/460325842.db2.gz ICAVXVHDUSNQDP-USXIJHARSA-N 1 2 334.416 3.326 20 5 EGBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000611273765 460325846 /nfs/dbraw/zinc/32/58/46/460325846.db2.gz ICAVXVHDUSNQDP-USXIJHARSA-N 1 2 334.416 3.326 20 5 EGBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601526714 460825182 /nfs/dbraw/zinc/82/51/82/460825182.db2.gz DDSAJUCFOYXRHV-UHFFFAOYSA-N 1 2 348.378 3.045 20 5 EGBDLO CC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000178285874 529191437 /nfs/dbraw/zinc/19/14/37/529191437.db2.gz SNXYNSFRMREQRW-OAHLLOKOSA-N 1 2 329.404 3.154 20 5 EGBDLO C[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000735957566 575740775 /nfs/dbraw/zinc/74/07/75/575740775.db2.gz RAZKBAMWWKBGSS-AWEZNQCLSA-N 1 2 340.379 3.085 20 5 EGBDLO C[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000735957566 575740778 /nfs/dbraw/zinc/74/07/78/575740778.db2.gz RAZKBAMWWKBGSS-AWEZNQCLSA-N 1 2 340.379 3.085 20 5 EGBDLO CC[C@]1(C)CCC[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743386458 576807834 /nfs/dbraw/zinc/80/78/34/576807834.db2.gz GPHIQXBAHHRZJP-GFCCVEGCSA-N 1 2 331.214 3.023 20 5 EGBDLO CC[C@]1(C)CCC[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743386458 576807835 /nfs/dbraw/zinc/80/78/35/576807835.db2.gz GPHIQXBAHHRZJP-GFCCVEGCSA-N 1 2 331.214 3.023 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827712678 1292359342 /nfs/dbraw/zinc/35/93/42/1292359342.db2.gz KYJCDSLWZIHBJM-MRXNPFEDSA-N 1 2 347.415 3.180 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827712678 1292359346 /nfs/dbraw/zinc/35/93/46/1292359346.db2.gz KYJCDSLWZIHBJM-MRXNPFEDSA-N 1 2 347.415 3.180 20 5 EGBDLO CSCC[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000835813116 1293383340 /nfs/dbraw/zinc/38/33/40/1293383340.db2.gz AGVXXCNACUFWLZ-NSHDSACASA-N 1 2 335.385 3.079 20 5 EGBDLO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000122994638 1293431738 /nfs/dbraw/zinc/43/17/38/1293431738.db2.gz HXFGVUBLEGRXPZ-UHFFFAOYSA-N 1 2 336.189 3.384 20 5 EGBDLO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000122994638 1293431739 /nfs/dbraw/zinc/43/17/39/1293431739.db2.gz HXFGVUBLEGRXPZ-UHFFFAOYSA-N 1 2 336.189 3.384 20 5 EGBDLO Cc1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)n1 ZINC000131032474 1293677230 /nfs/dbraw/zinc/67/72/30/1293677230.db2.gz OZMUDTVILJIGIA-UHFFFAOYSA-N 1 2 336.779 3.319 20 5 EGBDLO O=C(Cc1ccccc1[N+](=O)[O-])OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748493029 1299023302 /nfs/dbraw/zinc/02/33/02/1299023302.db2.gz YRYXCOUOHCKIBV-UHFFFAOYSA-N 1 2 337.335 3.066 20 5 EGBDLO CCc1ccc([C@H]([NH2+]CC2(C)OCCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753697363 1300008270 /nfs/dbraw/zinc/00/82/70/1300008270.db2.gz BHZRGKJAJHQBIP-QGZVFWFLSA-N 1 2 346.383 3.192 20 5 EGBDLO CCOc1cc(CO[NH+]=C(N)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000757717457 1300719387 /nfs/dbraw/zinc/71/93/87/1300719387.db2.gz JDEOJZXNPIFMJN-UHFFFAOYSA-N 1 2 329.356 3.235 20 5 EGBDLO Nc1nc(NCc2cc([N+](=O)[O-])ccc2Cl)[nH+]c2ccccc12 ZINC000764159228 1302022739 /nfs/dbraw/zinc/02/27/39/1302022739.db2.gz SGWAVKKWHBNSJT-UHFFFAOYSA-N 1 2 329.747 3.386 20 5 EGBDLO CC(C)c1ccc(C[N@H+](C)CC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000768193199 1302851487 /nfs/dbraw/zinc/85/14/87/1302851487.db2.gz FHCBSBLUXRKSJG-UHFFFAOYSA-N 1 2 345.399 3.059 20 5 EGBDLO CC(C)c1ccc(C[N@@H+](C)CC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000768193199 1302851500 /nfs/dbraw/zinc/85/15/00/1302851500.db2.gz FHCBSBLUXRKSJG-UHFFFAOYSA-N 1 2 345.399 3.059 20 5 EGBDLO CC[N@H+](C)[C@@H](C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000775494240 1303973914 /nfs/dbraw/zinc/97/39/14/1303973914.db2.gz RJSIGXWTSNMFOQ-MRXNPFEDSA-N 1 2 332.331 3.332 20 5 EGBDLO CC[N@@H+](C)[C@@H](C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000775494240 1303973921 /nfs/dbraw/zinc/97/39/21/1303973921.db2.gz RJSIGXWTSNMFOQ-MRXNPFEDSA-N 1 2 332.331 3.332 20 5 EGBDLO CSc1cccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000776876561 1304215744 /nfs/dbraw/zinc/21/57/44/1304215744.db2.gz IBKFBFAOGHUFIZ-UHFFFAOYSA-N 1 2 346.412 3.338 20 5 EGBDLO C[NH+](C)[C@@H](C(=O)OCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000780095056 1304638521 /nfs/dbraw/zinc/63/85/21/1304638521.db2.gz VZYBTTFQYYVULQ-MRXNPFEDSA-N 1 2 332.331 3.080 20 5 EGBDLO Cc1nonc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000809743831 1317887315 /nfs/dbraw/zinc/88/73/15/1317887315.db2.gz HXNLLQJPUWHKKC-UHFFFAOYSA-N 1 2 330.369 3.305 20 5 EGBDLO CCOC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000809743629 1317887419 /nfs/dbraw/zinc/88/74/19/1317887419.db2.gz XXMKWYBVKGITFW-UHFFFAOYSA-N 1 2 338.747 3.308 20 5 EGBDLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809966097 1317925934 /nfs/dbraw/zinc/92/59/34/1317925934.db2.gz WBIZCPMRPBROFI-LLVKDONJSA-N 1 2 347.198 3.429 20 5 EGBDLO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809966097 1317925941 /nfs/dbraw/zinc/92/59/41/1317925941.db2.gz WBIZCPMRPBROFI-LLVKDONJSA-N 1 2 347.198 3.429 20 5 EGBDLO Cc1ccc(CCC2CC[NH+](Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000912861337 1318945562 /nfs/dbraw/zinc/94/55/62/1318945562.db2.gz UNSSJRDUMWKXAJ-UHFFFAOYSA-N 1 2 328.416 3.402 20 5 EGBDLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000822013302 1320047250 /nfs/dbraw/zinc/04/72/50/1320047250.db2.gz YRMWNFJBXDPZLZ-IAGOWNOFSA-N 1 2 325.368 3.027 20 5 EGBDLO CC[C@@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000842159476 1321355456 /nfs/dbraw/zinc/35/54/56/1321355456.db2.gz QJEXDWMZQSZXFY-JTQLQIEISA-N 1 2 343.221 3.140 20 5 EGBDLO CC[C@@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)OC ZINC000842159476 1321355460 /nfs/dbraw/zinc/35/54/60/1321355460.db2.gz QJEXDWMZQSZXFY-JTQLQIEISA-N 1 2 343.221 3.140 20 5 EGBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280474 1321693003 /nfs/dbraw/zinc/69/30/03/1321693003.db2.gz FXUJGGJKWKAWJY-CYBMUJFWSA-N 1 2 347.371 3.273 20 5 EGBDLO COc1cc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc(OC)c1 ZINC000920089616 1322136258 /nfs/dbraw/zinc/13/62/58/1322136258.db2.gz SVCNHOGRJHRUAT-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO COc1cc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc(OC)c1 ZINC000920089616 1322136261 /nfs/dbraw/zinc/13/62/61/1322136261.db2.gz SVCNHOGRJHRUAT-UHFFFAOYSA-N 1 2 334.347 3.383 20 5 EGBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1=CCCOC1 ZINC000852515869 1323202622 /nfs/dbraw/zinc/20/26/22/1323202622.db2.gz FJSSQKFRECKNTG-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1=CCCOC1 ZINC000852515869 1323202628 /nfs/dbraw/zinc/20/26/28/1323202628.db2.gz FJSSQKFRECKNTG-UHFFFAOYSA-N 1 2 341.205 3.136 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000931227124 1329075702 /nfs/dbraw/zinc/07/57/02/1329075702.db2.gz XLUWOVDMFWGDOE-UHFFFAOYSA-N 1 2 346.412 3.060 20 5 EGBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cn(C)cn1 ZINC000926303784 1325509104 /nfs/dbraw/zinc/50/91/04/1325509104.db2.gz NUUUJTNRRFGWEF-SECBINFHSA-N 1 2 328.294 3.198 20 5 EGBDLO C/C=C(/C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039541244 1345136220 /nfs/dbraw/zinc/13/62/20/1345136220.db2.gz LYVALICVBYIBKJ-IXBVKNHKSA-N 1 2 343.427 3.126 20 5 EGBDLO C/C=C(/C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001039541244 1345136223 /nfs/dbraw/zinc/13/62/23/1345136223.db2.gz LYVALICVBYIBKJ-IXBVKNHKSA-N 1 2 343.427 3.126 20 5 EGBDLO c1cn(Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)c[nH+]1 ZINC001212537288 1372723804 /nfs/dbraw/zinc/72/38/04/1372723804.db2.gz IFSNKKPBKBJTPP-UHFFFAOYSA-N 1 2 328.335 3.078 20 5 EGBDLO O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001216489825 1373311310 /nfs/dbraw/zinc/31/13/10/1373311310.db2.gz FEIDQDWPRYDTLD-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CC2(F)F)c1Cl ZINC001218232768 1373580289 /nfs/dbraw/zinc/58/02/89/1373580289.db2.gz GDJSHTPJDFKVBN-SECBINFHSA-N 1 2 341.141 3.450 20 5 EGBDLO CCn1c[nH+]c2c1CCN(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001335856849 1388953056 /nfs/dbraw/zinc/95/30/56/1388953056.db2.gz LTVNLCDESXKSLM-UHFFFAOYSA-N 1 2 340.305 3.393 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1F ZINC001343648197 1390728858 /nfs/dbraw/zinc/72/88/58/1390728858.db2.gz WJRJTCSHUNKBAQ-UHFFFAOYSA-N 1 2 328.343 3.487 20 5 EGBDLO O=[N+]([O-])c1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1F ZINC001343648197 1390728860 /nfs/dbraw/zinc/72/88/60/1390728860.db2.gz WJRJTCSHUNKBAQ-UHFFFAOYSA-N 1 2 328.343 3.487 20 5 EGBDLO C[C@H]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC001353394295 1392001692 /nfs/dbraw/zinc/00/16/92/1392001692.db2.gz DVZGGQSSHSXEKY-NHYWBVRUSA-N 1 2 347.350 3.045 20 5 EGBDLO Cc1csc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000052662502 214139233 /nfs/dbraw/zinc/13/92/33/214139233.db2.gz CLZAHQXUPUYEIU-CYBMUJFWSA-N 1 2 332.429 3.243 20 5 EGBDLO C[C@@H](c1ccco1)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086233327 217693063 /nfs/dbraw/zinc/69/30/63/217693063.db2.gz PTWLOCROAWSYIA-LBPRGKRZSA-N 1 2 329.356 3.352 20 5 EGBDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086233327 217693065 /nfs/dbraw/zinc/69/30/65/217693065.db2.gz PTWLOCROAWSYIA-LBPRGKRZSA-N 1 2 329.356 3.352 20 5 EGBDLO COc1cc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000266158522 248138205 /nfs/dbraw/zinc/13/82/05/248138205.db2.gz MTYAELCKTHBSGG-UHFFFAOYSA-N 1 2 328.372 3.211 20 5 EGBDLO CC(C)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000117194836 221035825 /nfs/dbraw/zinc/03/58/25/221035825.db2.gz QDHMAJMJHBVLBN-HNNXBMFYSA-N 1 2 342.399 3.431 20 5 EGBDLO O=[N+]([O-])c1ccc(CNC[C@@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000350631347 141257786 /nfs/dbraw/zinc/25/77/86/141257786.db2.gz HIUXYILGVGBUHP-INIZCTEOSA-N 1 2 333.363 3.254 20 5 EGBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000356341891 141343874 /nfs/dbraw/zinc/34/38/74/141343874.db2.gz OQQCQDWTMOXJFG-LBPRGKRZSA-N 1 2 348.428 3.112 20 5 EGBDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000184461457 144092836 /nfs/dbraw/zinc/09/28/36/144092836.db2.gz NLXPRSJNJZQYJO-CYBMUJFWSA-N 1 2 338.379 3.288 20 5 EGBDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000184461457 144092837 /nfs/dbraw/zinc/09/28/37/144092837.db2.gz NLXPRSJNJZQYJO-CYBMUJFWSA-N 1 2 338.379 3.288 20 5 EGBDLO C[C@@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000185701097 144117470 /nfs/dbraw/zinc/11/74/70/144117470.db2.gz RQQFHBIVSKTIMD-ABAIWWIYSA-N 1 2 346.362 3.314 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc(CO)[nH+]3)o2)cc1 ZINC000351399493 144263503 /nfs/dbraw/zinc/26/35/03/144263503.db2.gz AXSGJJNJSFFPIS-UHFFFAOYSA-N 1 2 325.324 3.354 20 5 EGBDLO C[C@@H]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000351476400 144266581 /nfs/dbraw/zinc/26/65/81/144266581.db2.gz LDPCBRGQDAIAAZ-KGLIPLIRSA-N 1 2 342.399 3.337 20 5 EGBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120198556 152258690 /nfs/dbraw/zinc/25/86/90/152258690.db2.gz HHXVJEGJCSTQFG-KIUWMYQTSA-N 1 2 326.356 3.085 20 5 EGBDLO Cc1cc2[nH+]cn(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000189441130 153069796 /nfs/dbraw/zinc/06/97/96/153069796.db2.gz UPFVBKISVFQZOB-UHFFFAOYSA-N 1 2 338.367 3.224 20 5 EGBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000337232600 163172441 /nfs/dbraw/zinc/17/24/41/163172441.db2.gz VQPYUMNFKAAJOR-AWEZNQCLSA-N 1 2 342.729 3.350 20 5 EGBDLO CCCCc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2[nH+]1 ZINC000344277433 164144733 /nfs/dbraw/zinc/14/47/33/164144733.db2.gz FTVKQMXDXRCMDA-UHFFFAOYSA-N 1 2 341.371 3.405 20 5 EGBDLO C[C@@H](c1ccccc1F)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264975141 287151657 /nfs/dbraw/zinc/15/16/57/287151657.db2.gz PZPOPDCDNYPNLQ-ZDUSSCGKSA-N 1 2 330.363 3.012 20 5 EGBDLO CCOc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000355546924 166239748 /nfs/dbraw/zinc/23/97/48/166239748.db2.gz QSHLLSJHVJNFHA-UHFFFAOYSA-N 1 2 332.404 3.138 20 5 EGBDLO CCOc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000355546924 166239749 /nfs/dbraw/zinc/23/97/49/166239749.db2.gz QSHLLSJHVJNFHA-UHFFFAOYSA-N 1 2 332.404 3.138 20 5 EGBDLO Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359880079 167256355 /nfs/dbraw/zinc/25/63/55/167256355.db2.gz PIFKZRBUQJYESI-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359880079 167256356 /nfs/dbraw/zinc/25/63/56/167256356.db2.gz PIFKZRBUQJYESI-NSHDSACASA-N 1 2 347.337 3.055 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000367848783 168277469 /nfs/dbraw/zinc/27/74/69/168277469.db2.gz MVEKKNYSVSHIMQ-CVEARBPZSA-N 1 2 344.415 3.006 20 5 EGBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000367848783 168277472 /nfs/dbraw/zinc/27/74/72/168277472.db2.gz MVEKKNYSVSHIMQ-CVEARBPZSA-N 1 2 344.415 3.006 20 5 EGBDLO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606213 264706784 /nfs/dbraw/zinc/70/67/84/264706784.db2.gz CHOSAUZYENBYLE-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606213 264706786 /nfs/dbraw/zinc/70/67/86/264706786.db2.gz CHOSAUZYENBYLE-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO COc1ccccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176983868 265221870 /nfs/dbraw/zinc/22/18/70/265221870.db2.gz VVBQVRGXQRGZGO-UHFFFAOYSA-N 1 2 327.340 3.377 20 5 EGBDLO COc1ccccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176983868 265221872 /nfs/dbraw/zinc/22/18/72/265221872.db2.gz VVBQVRGXQRGZGO-UHFFFAOYSA-N 1 2 327.340 3.377 20 5 EGBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000269649120 266334581 /nfs/dbraw/zinc/33/45/81/266334581.db2.gz LRLJOHVRWVQKMI-OAUYIBNBSA-N 1 2 348.424 3.152 20 5 EGBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000269649120 266334584 /nfs/dbraw/zinc/33/45/84/266334584.db2.gz LRLJOHVRWVQKMI-OAUYIBNBSA-N 1 2 348.424 3.152 20 5 EGBDLO CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271340729 266644664 /nfs/dbraw/zinc/64/46/64/266644664.db2.gz BYNWEYOFSHRAKP-JSGCOSHPSA-N 1 2 328.372 3.184 20 5 EGBDLO CCOc1cccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000273807004 267113858 /nfs/dbraw/zinc/11/38/58/267113858.db2.gz ACYFELVVWVBSFH-ZDUSSCGKSA-N 1 2 328.372 3.079 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007039324 275117517 /nfs/dbraw/zinc/11/75/17/275117517.db2.gz OGLOCNQYYXULFS-KRWDZBQOSA-N 1 2 342.399 3.017 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007039324 275117518 /nfs/dbraw/zinc/11/75/18/275117518.db2.gz OGLOCNQYYXULFS-KRWDZBQOSA-N 1 2 342.399 3.017 20 5 EGBDLO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009998083 275119242 /nfs/dbraw/zinc/11/92/42/275119242.db2.gz USEZZZMHNZEBIO-PHIMTYICSA-N 1 2 325.796 3.450 20 5 EGBDLO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009998083 275119243 /nfs/dbraw/zinc/11/92/43/275119243.db2.gz USEZZZMHNZEBIO-PHIMTYICSA-N 1 2 325.796 3.450 20 5 EGBDLO CC1(C)C[C@H]([NH2+]Cc2nnc3n2CCCC3)c2cc([N+](=O)[O-])ccc21 ZINC000279199628 275311901 /nfs/dbraw/zinc/31/19/01/275311901.db2.gz XHDNKCXZCKWOIK-HNNXBMFYSA-N 1 2 341.415 3.035 20 5 EGBDLO CC1(C)CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000343976286 276107883 /nfs/dbraw/zinc/10/78/83/276107883.db2.gz IEQWLMWQTRKOSX-CQSZACIVSA-N 1 2 342.399 3.479 20 5 EGBDLO O=C(C[N@@H+]1CCCc2occc2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000288905160 276265612 /nfs/dbraw/zinc/26/56/12/276265612.db2.gz SVTIVQCYWHQQII-UHFFFAOYSA-N 1 2 349.774 3.228 20 5 EGBDLO O=C(C[N@H+]1CCCc2occc2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000288905160 276265613 /nfs/dbraw/zinc/26/56/13/276265613.db2.gz SVTIVQCYWHQQII-UHFFFAOYSA-N 1 2 349.774 3.228 20 5 EGBDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304074 276318883 /nfs/dbraw/zinc/31/88/83/276318883.db2.gz BVAREYOEINDVNL-FHZGZLOMSA-N 1 2 339.244 3.100 20 5 EGBDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304074 276318884 /nfs/dbraw/zinc/31/88/84/276318884.db2.gz BVAREYOEINDVNL-FHZGZLOMSA-N 1 2 339.244 3.100 20 5 EGBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000414092547 309060553 /nfs/dbraw/zinc/06/05/53/309060553.db2.gz DZGPNGLEHFWZIB-NXEZZACHSA-N 1 2 335.385 3.250 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414232235 309067906 /nfs/dbraw/zinc/06/79/06/309067906.db2.gz IBEMLZVVWZAAHO-CYBMUJFWSA-N 1 2 348.424 3.158 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414507440 309085252 /nfs/dbraw/zinc/08/52/52/309085252.db2.gz PFGMFJRRIFTPRG-UHFFFAOYSA-N 1 2 326.278 3.002 20 5 EGBDLO Cc1cc(N[C@H](C)CC(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000294901177 308269791 /nfs/dbraw/zinc/26/97/91/308269791.db2.gz DWCFRSZQWIEEMI-GFCCVEGCSA-N 1 2 330.388 3.322 20 5 EGBDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000296152364 308398868 /nfs/dbraw/zinc/39/88/68/308398868.db2.gz XQOUDXWTBIILNP-UKRRQHHQSA-N 1 2 342.399 3.028 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000301183853 308691027 /nfs/dbraw/zinc/69/10/27/308691027.db2.gz OFSJFQZOZBIGMV-OAHLLOKOSA-N 1 2 347.440 3.450 20 5 EGBDLO Cc1c(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000331720622 308815398 /nfs/dbraw/zinc/81/53/98/308815398.db2.gz JBUMHKHXHISLQZ-OAHLLOKOSA-N 1 2 343.387 3.063 20 5 EGBDLO C[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000413201711 309021144 /nfs/dbraw/zinc/02/11/44/309021144.db2.gz WDHFNJLDTXXWJZ-SUMWQHHRSA-N 1 2 337.383 3.427 20 5 EGBDLO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)c2[nH+]ccn21 ZINC000413310883 309026194 /nfs/dbraw/zinc/02/61/94/309026194.db2.gz DJBJFGRLCPMIBL-OIBJUYFYSA-N 1 2 327.266 3.323 20 5 EGBDLO CC(C)(C)n1ncnc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417331971 309202058 /nfs/dbraw/zinc/20/20/58/309202058.db2.gz NDVVVXDRXKRUOC-INIZCTEOSA-N 1 2 343.431 3.499 20 5 EGBDLO CCOC(=O)c1cc(NCc2cc(C)[nH+]c(C)c2)ccc1[N+](=O)[O-] ZINC000420657199 309291906 /nfs/dbraw/zinc/29/19/06/309291906.db2.gz WJRCBADPTULQDI-UHFFFAOYSA-N 1 2 329.356 3.395 20 5 EGBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421580499 309330581 /nfs/dbraw/zinc/33/05/81/309330581.db2.gz WOMNPTRSHKFDMM-KRWDZBQOSA-N 1 2 341.411 3.492 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000446903352 309970599 /nfs/dbraw/zinc/97/05/99/309970599.db2.gz YFSIIEGTASMOPD-LJQANCHMSA-N 1 2 341.411 3.389 20 5 EGBDLO C[C@@H]1CCC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447817395 309989664 /nfs/dbraw/zinc/98/96/64/309989664.db2.gz NZVSESKPUUIJOA-ZBFHGGJFSA-N 1 2 333.432 3.418 20 5 EGBDLO O=C(NC1CCCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448563877 310006381 /nfs/dbraw/zinc/00/63/81/310006381.db2.gz HLZSEVUOTRWWEE-UHFFFAOYSA-N 1 2 328.372 3.233 20 5 EGBDLO CC(C)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448793022 310018086 /nfs/dbraw/zinc/01/80/86/310018086.db2.gz RHEDZKYMMYZQPX-CYBMUJFWSA-N 1 2 342.399 3.430 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000449570209 310072786 /nfs/dbraw/zinc/07/27/86/310072786.db2.gz AAOCWGWJCCZAMX-LKAWRWRFSA-N 1 2 336.457 3.231 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000449570209 310072787 /nfs/dbraw/zinc/07/27/87/310072787.db2.gz AAOCWGWJCCZAMX-LKAWRWRFSA-N 1 2 336.457 3.231 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000449570210 310072789 /nfs/dbraw/zinc/07/27/89/310072789.db2.gz AAOCWGWJCCZAMX-OVTQYCMBSA-N 1 2 336.457 3.231 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000449570210 310072790 /nfs/dbraw/zinc/07/27/90/310072790.db2.gz AAOCWGWJCCZAMX-OVTQYCMBSA-N 1 2 336.457 3.231 20 5 EGBDLO CC1(C)CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450063640 310101453 /nfs/dbraw/zinc/10/14/53/310101453.db2.gz BDFKCHNVYVTNIV-HNNXBMFYSA-N 1 2 328.372 3.089 20 5 EGBDLO CO[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000450777646 310142149 /nfs/dbraw/zinc/14/21/49/310142149.db2.gz STIZIYNEQSGVEB-WBMJQRKESA-N 1 2 342.399 3.221 20 5 EGBDLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451552655 310185961 /nfs/dbraw/zinc/18/59/61/310185961.db2.gz WYGVCPVLIRQSPS-CQSZACIVSA-N 1 2 330.388 3.481 20 5 EGBDLO CC(C)c1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451552655 310185962 /nfs/dbraw/zinc/18/59/62/310185962.db2.gz WYGVCPVLIRQSPS-CQSZACIVSA-N 1 2 330.388 3.481 20 5 EGBDLO C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000452330336 310223636 /nfs/dbraw/zinc/22/36/36/310223636.db2.gz AFHLLVLACJEQHT-SNVBAGLBSA-N 1 2 332.335 3.009 20 5 EGBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC000453322672 310271048 /nfs/dbraw/zinc/27/10/48/310271048.db2.gz PFMRENWLQFFFLG-SNVBAGLBSA-N 1 2 338.795 3.231 20 5 EGBDLO Cc1cc(C)c(CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000456843494 310425139 /nfs/dbraw/zinc/42/51/39/310425139.db2.gz QSQKOSGJLGMIHN-GFCCVEGCSA-N 1 2 331.347 3.166 20 5 EGBDLO Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000461718243 310592133 /nfs/dbraw/zinc/59/21/33/310592133.db2.gz MASZPZBPYQGGOL-UHFFFAOYSA-N 1 2 332.335 3.018 20 5 EGBDLO CCOc1cc(C[NH2+][C@@H](COC)c2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000491607044 311186377 /nfs/dbraw/zinc/18/63/77/311186377.db2.gz KYMKBVXQFURMAQ-AWEZNQCLSA-N 1 2 334.372 3.372 20 5 EGBDLO CC[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000492336624 311239143 /nfs/dbraw/zinc/23/91/43/311239143.db2.gz WBXPPTDEQWNGCZ-LLVKDONJSA-N 1 2 347.793 3.410 20 5 EGBDLO CC[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000492336624 311239144 /nfs/dbraw/zinc/23/91/44/311239144.db2.gz WBXPPTDEQWNGCZ-LLVKDONJSA-N 1 2 347.793 3.410 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000530502470 313546528 /nfs/dbraw/zinc/54/65/28/313546528.db2.gz MOGNQUBLWDYGKD-UHFFFAOYSA-N 1 2 331.376 3.010 20 5 EGBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000538018701 314224162 /nfs/dbraw/zinc/22/41/62/314224162.db2.gz TYKIKAHNWQFWBN-NSHDSACASA-N 1 2 341.346 3.370 20 5 EGBDLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000538018701 314224167 /nfs/dbraw/zinc/22/41/67/314224167.db2.gz TYKIKAHNWQFWBN-NSHDSACASA-N 1 2 341.346 3.370 20 5 EGBDLO Cc1cc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000539753050 314333807 /nfs/dbraw/zinc/33/38/07/314333807.db2.gz MPOGFCQRJGTOMQ-UHFFFAOYSA-N 1 2 336.351 3.223 20 5 EGBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])c1C ZINC000173324989 455265967 /nfs/dbraw/zinc/26/59/67/455265967.db2.gz ZQKSQFSMXXMBLS-UHFFFAOYSA-N 1 2 343.383 3.196 20 5 EGBDLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007782855 453114112 /nfs/dbraw/zinc/11/41/12/453114112.db2.gz SVAUULBEXZLXHD-UHFFFAOYSA-N 1 2 345.786 3.245 20 5 EGBDLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007782855 453114115 /nfs/dbraw/zinc/11/41/15/453114115.db2.gz SVAUULBEXZLXHD-UHFFFAOYSA-N 1 2 345.786 3.245 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000010896442 453305650 /nfs/dbraw/zinc/30/56/50/453305650.db2.gz GMNCRHKKVBUFMN-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]c(C)[nH]c2c1 ZINC000010896442 453305655 /nfs/dbraw/zinc/30/56/55/453305655.db2.gz GMNCRHKKVBUFMN-UHFFFAOYSA-N 1 2 326.312 3.040 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1F ZINC000021920137 453684783 /nfs/dbraw/zinc/68/47/83/453684783.db2.gz QOGUGAWTYLVSAS-GFCCVEGCSA-N 1 2 331.347 3.193 20 5 EGBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1F ZINC000021920137 453684784 /nfs/dbraw/zinc/68/47/84/453684784.db2.gz QOGUGAWTYLVSAS-GFCCVEGCSA-N 1 2 331.347 3.193 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000024963335 453752454 /nfs/dbraw/zinc/75/24/54/453752454.db2.gz DGFSAYWGIYKOQO-UHFFFAOYSA-N 1 2 342.380 3.282 20 5 EGBDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348609 453797808 /nfs/dbraw/zinc/79/78/08/453797808.db2.gz DHFJTYJFVNSLCV-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348609 453797809 /nfs/dbraw/zinc/79/78/09/453797809.db2.gz DHFJTYJFVNSLCV-LLVKDONJSA-N 1 2 349.337 3.332 20 5 EGBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])s2)[NH+]2CCOCC2)cc1 ZINC000066410821 453843174 /nfs/dbraw/zinc/84/31/74/453843174.db2.gz UUJORDIYCKMJKY-HNNXBMFYSA-N 1 2 347.440 3.450 20 5 EGBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000032059149 453863298 /nfs/dbraw/zinc/86/32/98/453863298.db2.gz LQNQFKXABBTHAN-UHFFFAOYSA-N 1 2 328.372 3.185 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119537 453967082 /nfs/dbraw/zinc/96/70/82/453967082.db2.gz UJDCFKDQDRLLAE-QGZVFWFLSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119537 453967085 /nfs/dbraw/zinc/96/70/85/453967085.db2.gz UJDCFKDQDRLLAE-QGZVFWFLSA-N 1 2 328.368 3.047 20 5 EGBDLO Cc1cccc2[nH+]c(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn21 ZINC000068772319 454051943 /nfs/dbraw/zinc/05/19/43/454051943.db2.gz KFYZAKPUOAVXQZ-UHFFFAOYSA-N 1 2 327.300 3.071 20 5 EGBDLO C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000068781364 454052563 /nfs/dbraw/zinc/05/25/63/454052563.db2.gz OQAZBTYAXWOLLY-CYBMUJFWSA-N 1 2 328.372 3.043 20 5 EGBDLO CCc1cc(NC[C@@H](C)C[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077228647 454078556 /nfs/dbraw/zinc/07/85/56/454078556.db2.gz UXNYFQDDYMBTMU-QWHCGFSZSA-N 1 2 344.415 3.433 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000089151860 454124894 /nfs/dbraw/zinc/12/48/94/454124894.db2.gz XLDJNOZVSPJIBJ-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC000089151860 454124900 /nfs/dbraw/zinc/12/49/00/454124900.db2.gz XLDJNOZVSPJIBJ-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCSCC1 ZINC000089986274 454256108 /nfs/dbraw/zinc/25/61/08/454256108.db2.gz OCFGSBWEIRIRKX-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCSCC1 ZINC000089986274 454256112 /nfs/dbraw/zinc/25/61/12/454256112.db2.gz OCFGSBWEIRIRKX-JTQLQIEISA-N 1 2 343.836 3.014 20 5 EGBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1SCC[NH+]1CCOCC1 ZINC000090069528 454272657 /nfs/dbraw/zinc/27/26/57/454272657.db2.gz BBBWFYNNAUCAGL-UHFFFAOYSA-N 1 2 336.335 3.038 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000078736606 454309611 /nfs/dbraw/zinc/30/96/11/454309611.db2.gz PRZISJDXWOSWLE-GOSISDBHSA-N 1 2 339.395 3.222 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000078736606 454309613 /nfs/dbraw/zinc/30/96/13/454309613.db2.gz PRZISJDXWOSWLE-GOSISDBHSA-N 1 2 339.395 3.222 20 5 EGBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063507369 454419611 /nfs/dbraw/zinc/41/96/11/454419611.db2.gz DCHGWSZHQHYNSA-AWEZNQCLSA-N 1 2 348.790 3.352 20 5 EGBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063507369 454419615 /nfs/dbraw/zinc/41/96/15/454419615.db2.gz DCHGWSZHQHYNSA-AWEZNQCLSA-N 1 2 348.790 3.352 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000091902190 454487418 /nfs/dbraw/zinc/48/74/18/454487418.db2.gz PBQHJUZUTAJDLC-KRWDZBQOSA-N 1 2 342.395 3.134 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000091902190 454487421 /nfs/dbraw/zinc/48/74/21/454487421.db2.gz PBQHJUZUTAJDLC-KRWDZBQOSA-N 1 2 342.395 3.134 20 5 EGBDLO COC(=O)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000134197457 454515230 /nfs/dbraw/zinc/51/52/30/454515230.db2.gz KDZRSSSHHSUZQM-UHFFFAOYSA-N 1 2 326.780 3.166 20 5 EGBDLO COC(=O)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000134197457 454515231 /nfs/dbraw/zinc/51/52/31/454515231.db2.gz KDZRSSSHHSUZQM-UHFFFAOYSA-N 1 2 326.780 3.166 20 5 EGBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103963283 454570535 /nfs/dbraw/zinc/57/05/35/454570535.db2.gz FFHVAAFWVNIOJV-UHFFFAOYSA-N 1 2 337.339 3.036 20 5 EGBDLO Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)ncc1[N+](=O)[O-] ZINC000074726304 454624857 /nfs/dbraw/zinc/62/48/57/454624857.db2.gz XPVYHZFZTKESER-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO O=[N+]([O-])c1c(NCCc2cn3ccccc3[nH+]2)ccc2ncccc21 ZINC000051623272 454633176 /nfs/dbraw/zinc/63/31/76/454633176.db2.gz XXQOMMNTGLFTLT-UHFFFAOYSA-N 1 2 333.351 3.445 20 5 EGBDLO COC(=O)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(F)c1 ZINC000135747673 454701248 /nfs/dbraw/zinc/70/12/48/454701248.db2.gz ZTPKULGHEQKFGY-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(F)c1 ZINC000135747673 454701250 /nfs/dbraw/zinc/70/12/50/454701250.db2.gz ZTPKULGHEQKFGY-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000152655015 454706681 /nfs/dbraw/zinc/70/66/81/454706681.db2.gz ADSZCWPDDXGMAB-AWEZNQCLSA-N 1 2 337.383 3.335 20 5 EGBDLO Cc1c[nH+]ccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000107294717 454751039 /nfs/dbraw/zinc/75/10/39/454751039.db2.gz SMBNCXLNZALGAY-UHFFFAOYSA-N 1 2 340.383 3.153 20 5 EGBDLO Cc1cc(N(C)C[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000107675118 454768408 /nfs/dbraw/zinc/76/84/08/454768408.db2.gz WSKUJASJCDQROM-AWEZNQCLSA-N 1 2 342.399 3.223 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000177216999 454838232 /nfs/dbraw/zinc/83/82/32/454838232.db2.gz SLXQKYDKBSAMIL-UHFFFAOYSA-N 1 2 346.383 3.340 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000177216999 454838236 /nfs/dbraw/zinc/83/82/36/454838236.db2.gz SLXQKYDKBSAMIL-UHFFFAOYSA-N 1 2 346.383 3.340 20 5 EGBDLO CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nccs1 ZINC000172673357 455171046 /nfs/dbraw/zinc/17/10/46/455171046.db2.gz HLVZJJCBYURHGI-INIZCTEOSA-N 1 2 349.412 3.333 20 5 EGBDLO CC(C)c1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000160428091 455458149 /nfs/dbraw/zinc/45/81/49/455458149.db2.gz ALNLGYVDDGHIAM-UHFFFAOYSA-N 1 2 346.456 3.497 20 5 EGBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C2CC2)n1C1CC1 ZINC000285259348 455813934 /nfs/dbraw/zinc/81/39/34/455813934.db2.gz HSZCTESEEFEWCM-UHFFFAOYSA-N 1 2 341.415 3.073 20 5 EGBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C2CC2)n1C1CC1 ZINC000285259348 455813936 /nfs/dbraw/zinc/81/39/36/455813936.db2.gz HSZCTESEEFEWCM-UHFFFAOYSA-N 1 2 341.415 3.073 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271215366 456177040 /nfs/dbraw/zinc/17/70/40/456177040.db2.gz WLOMNMCKRCPVPU-IPKGXFCISA-N 1 2 348.424 3.196 20 5 EGBDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271215366 456177046 /nfs/dbraw/zinc/17/70/46/456177046.db2.gz WLOMNMCKRCPVPU-IPKGXFCISA-N 1 2 348.424 3.196 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000301700068 456191664 /nfs/dbraw/zinc/19/16/64/456191664.db2.gz FIOFWKHWFKRCIE-UHFFFAOYSA-N 1 2 346.818 3.274 20 5 EGBDLO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000271286695 456205825 /nfs/dbraw/zinc/20/58/25/456205825.db2.gz HLXCOCFDTVHKNB-STQMWFEESA-N 1 2 343.387 3.050 20 5 EGBDLO CCOc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000301786168 456214063 /nfs/dbraw/zinc/21/40/63/456214063.db2.gz WCVJJAYOWUXHQQ-AWEZNQCLSA-N 1 2 328.372 3.079 20 5 EGBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ccncc21 ZINC000301787258 456214199 /nfs/dbraw/zinc/21/41/99/456214199.db2.gz WTTZLZCXMWTTEO-CYBMUJFWSA-N 1 2 335.367 3.229 20 5 EGBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(-c2ccsc2)n1 ZINC000282338852 456481607 /nfs/dbraw/zinc/48/16/07/456481607.db2.gz BRVGNZXYFUXPDM-UHFFFAOYSA-N 1 2 344.396 3.381 20 5 EGBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(-c2ccsc2)n1 ZINC000282338852 456481612 /nfs/dbraw/zinc/48/16/12/456481612.db2.gz BRVGNZXYFUXPDM-UHFFFAOYSA-N 1 2 344.396 3.381 20 5 EGBDLO COc1cccc(C(F)(F)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000353105357 456492458 /nfs/dbraw/zinc/49/24/58/456492458.db2.gz BCMGUULOHOLKIK-FNORWQNLSA-N 1 2 349.337 3.393 20 5 EGBDLO COc1cc[nH+]cc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000348316819 456618945 /nfs/dbraw/zinc/61/89/45/456618945.db2.gz WCNCZYWDMFPFSV-UHFFFAOYSA-N 1 2 343.364 3.143 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000340983352 456797390 /nfs/dbraw/zinc/79/73/90/456797390.db2.gz KNPGWNDTEQEKRL-UHFFFAOYSA-N 1 2 334.397 3.232 20 5 EGBDLO COc1ccc2c(c1OC)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000340983352 456797393 /nfs/dbraw/zinc/79/73/93/456797393.db2.gz KNPGWNDTEQEKRL-UHFFFAOYSA-N 1 2 334.397 3.232 20 5 EGBDLO C[C@H]([C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301157710 456809443 /nfs/dbraw/zinc/80/94/43/456809443.db2.gz ASVXYQNVFMMWCD-WDEREUQCSA-N 1 2 347.337 3.135 20 5 EGBDLO CCc1ccc([C@@H](NCC[NH+]2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346636064 457083650 /nfs/dbraw/zinc/08/36/50/457083650.db2.gz KNXRNCWWTRXINI-SFHVURJKSA-N 1 2 329.400 3.135 20 5 EGBDLO Cc1cc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc([N+](=O)[O-])c1 ZINC000342073150 457092406 /nfs/dbraw/zinc/09/24/06/457092406.db2.gz VNILJVSSVDDUMV-UHFFFAOYSA-N 1 2 336.351 3.223 20 5 EGBDLO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000369825204 457417565 /nfs/dbraw/zinc/41/75/65/457417565.db2.gz GXYQTFPGJIJKOY-HNNXBMFYSA-N 1 2 347.371 3.116 20 5 EGBDLO COc1ccc(OCC[N@H+]2CCC[C@H]2c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000369825204 457417574 /nfs/dbraw/zinc/41/75/74/457417574.db2.gz GXYQTFPGJIJKOY-HNNXBMFYSA-N 1 2 347.371 3.116 20 5 EGBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000366541418 457845733 /nfs/dbraw/zinc/84/57/33/457845733.db2.gz SJQXRAWPFGKOKE-UHFFFAOYSA-N 1 2 336.351 3.475 20 5 EGBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(C)noc1C ZINC000444667502 457932889 /nfs/dbraw/zinc/93/28/89/457932889.db2.gz AEOHVBILTBJZRA-GFCCVEGCSA-N 1 2 329.360 3.317 20 5 EGBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cc(F)cc(F)c1 ZINC000444696411 457943636 /nfs/dbraw/zinc/94/36/36/457943636.db2.gz HZAWJOQMNQZZAC-UHFFFAOYSA-N 1 2 332.310 3.381 20 5 EGBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cc(F)cc(F)c1 ZINC000444696411 457943642 /nfs/dbraw/zinc/94/36/42/457943642.db2.gz HZAWJOQMNQZZAC-UHFFFAOYSA-N 1 2 332.310 3.381 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444738839 457960232 /nfs/dbraw/zinc/96/02/32/457960232.db2.gz QMITXZMHWLJBMK-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444738839 457960238 /nfs/dbraw/zinc/96/02/38/457960238.db2.gz QMITXZMHWLJBMK-UHFFFAOYSA-N 1 2 345.374 3.421 20 5 EGBDLO O=C(c1ccccc1[N+](=O)[O-])N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000362307882 458095290 /nfs/dbraw/zinc/09/52/90/458095290.db2.gz CDPCQQGUBRDKBC-UHFFFAOYSA-N 1 2 340.314 3.304 20 5 EGBDLO CCc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000362390349 458147600 /nfs/dbraw/zinc/14/76/00/458147600.db2.gz IDWRRPJQKCAHJU-GFCCVEGCSA-N 1 2 346.387 3.145 20 5 EGBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369548767 458261197 /nfs/dbraw/zinc/26/11/97/458261197.db2.gz GTLBDPQCCIXODS-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369548767 458261199 /nfs/dbraw/zinc/26/11/99/458261199.db2.gz GTLBDPQCCIXODS-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nncn1C(C)C ZINC000430187209 458417211 /nfs/dbraw/zinc/41/72/11/458417211.db2.gz BRDDAUYXEYOKMK-ZSOIEALJSA-N 1 2 329.404 3.303 20 5 EGBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nncn1C(C)C ZINC000430187209 458417214 /nfs/dbraw/zinc/41/72/14/458417214.db2.gz BRDDAUYXEYOKMK-ZSOIEALJSA-N 1 2 329.404 3.303 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459629536 458430822 /nfs/dbraw/zinc/43/08/22/458430822.db2.gz HBHJHWBOOPKAQT-JTQLQIEISA-N 1 2 333.413 3.399 20 5 EGBDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000377937999 458578004 /nfs/dbraw/zinc/57/80/04/458578004.db2.gz ATNYNWVNZRWELC-OCCSQVGLSA-N 1 2 332.404 3.457 20 5 EGBDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000377937999 458578010 /nfs/dbraw/zinc/57/80/10/458578010.db2.gz ATNYNWVNZRWELC-OCCSQVGLSA-N 1 2 332.404 3.457 20 5 EGBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](Cc2ccco2)CC1 ZINC000494135354 458631811 /nfs/dbraw/zinc/63/18/11/458631811.db2.gz HOJNUVMRWUFJMV-UHFFFAOYSA-N 1 2 335.791 3.159 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494291318 458653979 /nfs/dbraw/zinc/65/39/79/458653979.db2.gz VKASQSPDIOWCPK-LBPRGKRZSA-N 1 2 341.358 3.209 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494291318 458653985 /nfs/dbraw/zinc/65/39/85/458653985.db2.gz VKASQSPDIOWCPK-LBPRGKRZSA-N 1 2 341.358 3.209 20 5 EGBDLO Cc1cc(NC[C@H](C)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000475743667 458962756 /nfs/dbraw/zinc/96/27/56/458962756.db2.gz JOYZBJOQHQILPQ-VIFPVBQESA-N 1 2 340.305 3.392 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCn3ccnc32)cc(C(F)(F)F)c1 ZINC000594499777 459063642 /nfs/dbraw/zinc/06/36/42/459063642.db2.gz JLVNMKSNRQNKPK-ZDUSSCGKSA-N 1 2 340.305 3.435 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cn2ccc(C)cc2n1 ZINC000595014502 459215977 /nfs/dbraw/zinc/21/59/77/459215977.db2.gz WEWWOSJJUVDUFC-ZDUSSCGKSA-N 1 2 340.383 3.410 20 5 EGBDLO CC(=O)N1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000595403104 459290920 /nfs/dbraw/zinc/29/09/20/459290920.db2.gz BJSKOEQYWQRQLU-UHFFFAOYSA-N 1 2 349.406 3.101 20 5 EGBDLO CC(=O)N1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000595403104 459290926 /nfs/dbraw/zinc/29/09/26/459290926.db2.gz BJSKOEQYWQRQLU-UHFFFAOYSA-N 1 2 349.406 3.101 20 5 EGBDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595449832 459307253 /nfs/dbraw/zinc/30/72/53/459307253.db2.gz LUUKTZMWHSAWOF-ZDUSSCGKSA-N 1 2 336.285 3.277 20 5 EGBDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595449832 459307254 /nfs/dbraw/zinc/30/72/54/459307254.db2.gz LUUKTZMWHSAWOF-ZDUSSCGKSA-N 1 2 336.285 3.277 20 5 EGBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c1[N+](=O)[O-] ZINC000595504684 459326961 /nfs/dbraw/zinc/32/69/61/459326961.db2.gz GUHDNKKSLNGMLI-SNVBAGLBSA-N 1 2 345.334 3.067 20 5 EGBDLO CCOC(=O)Cc1ccc(NCCc2ccc(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000591948072 459494793 /nfs/dbraw/zinc/49/47/93/459494793.db2.gz FZKJUFFGCMMXAS-UHFFFAOYSA-N 1 2 343.383 3.058 20 5 EGBDLO C[C@@H](CNc1c(Br)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000596081214 459512298 /nfs/dbraw/zinc/51/22/98/459512298.db2.gz VEDPUFQPCIFAGQ-JTQLQIEISA-N 1 2 339.193 3.302 20 5 EGBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(F)c(F)c3F)CC2)n1 ZINC000597116508 459840843 /nfs/dbraw/zinc/84/08/43/459840843.db2.gz GKCHTZYXLAXBDB-UHFFFAOYSA-N 1 2 340.305 3.046 20 5 EGBDLO Cn1ccnc1[C@H](C1CC1)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602441114 459939474 /nfs/dbraw/zinc/93/94/74/459939474.db2.gz UANOXRRWTDLOMY-KRWDZBQOSA-N 1 2 326.400 3.444 20 5 EGBDLO Cn1ccnc1[C@H](C1CC1)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602441114 459939480 /nfs/dbraw/zinc/93/94/80/459939480.db2.gz UANOXRRWTDLOMY-KRWDZBQOSA-N 1 2 326.400 3.444 20 5 EGBDLO COC[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602467392 459953146 /nfs/dbraw/zinc/95/31/46/459953146.db2.gz JADVPWLFFCWIPG-SECBINFHSA-N 1 2 349.250 3.277 20 5 EGBDLO COC[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602467392 459953154 /nfs/dbraw/zinc/95/31/54/459953154.db2.gz JADVPWLFFCWIPG-SECBINFHSA-N 1 2 349.250 3.277 20 5 EGBDLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602475258 459957159 /nfs/dbraw/zinc/95/71/59/459957159.db2.gz RXNNABRJGPIXMZ-DTWKUNHWSA-N 1 2 349.250 3.154 20 5 EGBDLO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602475258 459957168 /nfs/dbraw/zinc/95/71/68/459957168.db2.gz RXNNABRJGPIXMZ-DTWKUNHWSA-N 1 2 349.250 3.154 20 5 EGBDLO CO[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602603017 460019263 /nfs/dbraw/zinc/01/92/63/460019263.db2.gz PGXRNHYVDVEZTA-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO C[N@H+]1Cc2ccccc2[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602582960 460008611 /nfs/dbraw/zinc/00/86/11/460008611.db2.gz ZOBDWRXNYQDLGB-INIZCTEOSA-N 1 2 338.367 3.012 20 5 EGBDLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602582960 460008620 /nfs/dbraw/zinc/00/86/20/460008620.db2.gz ZOBDWRXNYQDLGB-INIZCTEOSA-N 1 2 338.367 3.012 20 5 EGBDLO CN1Cc2ccccc2[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602582960 460008625 /nfs/dbraw/zinc/00/86/25/460008625.db2.gz ZOBDWRXNYQDLGB-INIZCTEOSA-N 1 2 338.367 3.012 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnnn2-c2ccccc2)C2CC2)c1 ZINC000588961981 460011595 /nfs/dbraw/zinc/01/15/95/460011595.db2.gz BEUAIKIVPFBYBP-UHFFFAOYSA-N 1 2 349.394 3.340 20 5 EGBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnnn2-c2ccccc2)C2CC2)c1 ZINC000588961981 460011599 /nfs/dbraw/zinc/01/15/99/460011599.db2.gz BEUAIKIVPFBYBP-UHFFFAOYSA-N 1 2 349.394 3.340 20 5 EGBDLO CO[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602603017 460019258 /nfs/dbraw/zinc/01/92/58/460019258.db2.gz PGXRNHYVDVEZTA-SECBINFHSA-N 1 2 349.250 3.420 20 5 EGBDLO COc1ccc[nH+]c1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599052160 460140881 /nfs/dbraw/zinc/14/08/81/460140881.db2.gz MZFKTDSQSMFLQF-UHFFFAOYSA-N 1 2 329.356 3.046 20 5 EGBDLO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410329 460144725 /nfs/dbraw/zinc/14/47/25/460144725.db2.gz NVMAZIFOQNVBJS-FZMZJTMJSA-N 1 2 348.321 3.015 20 5 EGBDLO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410329 460144729 /nfs/dbraw/zinc/14/47/29/460144729.db2.gz NVMAZIFOQNVBJS-FZMZJTMJSA-N 1 2 348.321 3.015 20 5 EGBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610844629 460246559 /nfs/dbraw/zinc/24/65/59/460246559.db2.gz DRKFPIMRXHZORI-UHFFFAOYSA-N 1 2 338.367 3.079 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000599514535 460265786 /nfs/dbraw/zinc/26/57/86/460265786.db2.gz XVTUYFUWWGEELV-RYUDHWBXSA-N 1 2 341.358 3.065 20 5 EGBDLO COc1ccc(OCC[N@@H+]2Cc3cccc(OC)c3C2)c([N+](=O)[O-])c1 ZINC000599645189 460297021 /nfs/dbraw/zinc/29/70/21/460297021.db2.gz NITWPYMTLGQSMV-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1ccc(OCC[N@H+]2Cc3cccc(OC)c3C2)c([N+](=O)[O-])c1 ZINC000599645189 460297024 /nfs/dbraw/zinc/29/70/24/460297024.db2.gz NITWPYMTLGQSMV-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COC[C@@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683316 460309301 /nfs/dbraw/zinc/30/93/01/460309301.db2.gz QZECFYFTTIKIPS-WBMJQRKESA-N 1 2 345.399 3.416 20 5 EGBDLO COC[C@@H](C)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683316 460309303 /nfs/dbraw/zinc/30/93/03/460309303.db2.gz QZECFYFTTIKIPS-WBMJQRKESA-N 1 2 345.399 3.416 20 5 EGBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000611273764 460325364 /nfs/dbraw/zinc/32/53/64/460325364.db2.gz ICAVXVHDUSNQDP-UAGQMJEPSA-N 1 2 334.416 3.326 20 5 EGBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000611273764 460325369 /nfs/dbraw/zinc/32/53/69/460325369.db2.gz ICAVXVHDUSNQDP-UAGQMJEPSA-N 1 2 334.416 3.326 20 5 EGBDLO COc1ccc2[nH+]c(NCc3ccc(OC)c([N+](=O)[O-])c3)ccc2c1 ZINC000603933349 460360875 /nfs/dbraw/zinc/36/08/75/460360875.db2.gz KJFRRZFFEWNKAN-UHFFFAOYSA-N 1 2 339.351 3.194 20 5 EGBDLO CCC[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000611475580 460372674 /nfs/dbraw/zinc/37/26/74/460372674.db2.gz AOHNNNITFZNMGS-KRWDZBQOSA-N 1 2 344.415 3.372 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]2CCC[C@H]21 ZINC000174294349 534686259 /nfs/dbraw/zinc/68/62/59/534686259.db2.gz FZOMRJMLJJVUCP-UKRRQHHQSA-N 1 2 340.383 3.185 20 5 EGBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733198745 575319498 /nfs/dbraw/zinc/31/94/98/575319498.db2.gz TYYDLVYFMPXUDI-OKILXGFUSA-N 1 2 349.431 3.425 20 5 EGBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000733198745 575319499 /nfs/dbraw/zinc/31/94/99/575319499.db2.gz TYYDLVYFMPXUDI-OKILXGFUSA-N 1 2 349.431 3.425 20 5 EGBDLO Cc1ccnc(NCc2ccc[nH+]c2N2CCCCC2)c1[N+](=O)[O-] ZINC000734479175 575491594 /nfs/dbraw/zinc/49/15/94/575491594.db2.gz HMFINQSOBHXIQR-UHFFFAOYSA-N 1 2 327.388 3.296 20 5 EGBDLO C[C@H]1CCC[C@H](C)[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000742154520 576752226 /nfs/dbraw/zinc/75/22/26/576752226.db2.gz KVLNOIXEZQOAMT-UWVGGRQHSA-N 1 2 331.214 3.022 20 5 EGBDLO C[C@H]1CCC[C@H](C)[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000742154520 576752227 /nfs/dbraw/zinc/75/22/27/576752227.db2.gz KVLNOIXEZQOAMT-UWVGGRQHSA-N 1 2 331.214 3.022 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000877473866 1299326070 /nfs/dbraw/zinc/32/60/70/1299326070.db2.gz RYQVSYOTUQTJHA-QGZVFWFLSA-N 1 2 346.456 3.235 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000877473866 1299326077 /nfs/dbraw/zinc/32/60/77/1299326077.db2.gz RYQVSYOTUQTJHA-QGZVFWFLSA-N 1 2 346.456 3.235 20 5 EGBDLO Cc1ccc(COC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000835479025 1293299333 /nfs/dbraw/zinc/29/93/33/1293299333.db2.gz FOXCWZOLXYYXPV-QGZVFWFLSA-N 1 2 328.368 3.249 20 5 EGBDLO Cc1nn(C[NH+]2CCC(OC3CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000124742901 1293484276 /nfs/dbraw/zinc/48/42/76/1293484276.db2.gz SXXPGHXXMOXHPC-UHFFFAOYSA-N 1 2 336.436 3.179 20 5 EGBDLO Cc1cccc2c1CC[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000170922975 1294387764 /nfs/dbraw/zinc/38/77/64/1294387764.db2.gz HWGYERZKXUKRMT-UHFFFAOYSA-N 1 2 340.379 3.328 20 5 EGBDLO Cc1cccc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000170922975 1294387768 /nfs/dbraw/zinc/38/77/68/1294387768.db2.gz HWGYERZKXUKRMT-UHFFFAOYSA-N 1 2 340.379 3.328 20 5 EGBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cn3cccnc3=S)CC2)cc1 ZINC000173434736 1294462318 /nfs/dbraw/zinc/46/23/18/1294462318.db2.gz JEJZFCQPNJGBQL-UHFFFAOYSA-N 1 2 346.412 3.022 20 5 EGBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCSC1=S ZINC000194016860 1295933487 /nfs/dbraw/zinc/93/34/87/1295933487.db2.gz KOLATTJQCRNDOF-UHFFFAOYSA-N 1 2 325.459 3.096 20 5 EGBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCSC1=S ZINC000194016860 1295933503 /nfs/dbraw/zinc/93/35/03/1295933503.db2.gz KOLATTJQCRNDOF-UHFFFAOYSA-N 1 2 325.459 3.096 20 5 EGBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000194605573 1295994046 /nfs/dbraw/zinc/99/40/46/1295994046.db2.gz IGAAISUMLNPZGO-UHFFFAOYSA-N 1 2 337.339 3.102 20 5 EGBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000872062427 1296709175 /nfs/dbraw/zinc/70/91/75/1296709175.db2.gz MTGYVKKUNFEUIR-NSHDSACASA-N 1 2 347.444 3.095 20 5 EGBDLO COc1c(C)c[nH+]c(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C ZINC000749938713 1299303401 /nfs/dbraw/zinc/30/34/01/1299303401.db2.gz JGKYBZUCSAPAAP-UHFFFAOYSA-N 1 2 349.774 3.199 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)n2)c1 ZINC000761043161 1301386045 /nfs/dbraw/zinc/38/60/45/1301386045.db2.gz AJDGDOMBCJEKSP-SNVBAGLBSA-N 1 2 342.277 3.029 20 5 EGBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](C(F)(F)F)C3)n2)c1 ZINC000761043161 1301386052 /nfs/dbraw/zinc/38/60/52/1301386052.db2.gz AJDGDOMBCJEKSP-SNVBAGLBSA-N 1 2 342.277 3.029 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)[nH]1 ZINC000761532837 1301491460 /nfs/dbraw/zinc/49/14/60/1301491460.db2.gz HBFYMGDDMMMHFU-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)[nH]1 ZINC000761532837 1301491468 /nfs/dbraw/zinc/49/14/68/1301491468.db2.gz HBFYMGDDMMMHFU-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000761532837 1301491474 /nfs/dbraw/zinc/49/14/74/1301491474.db2.gz HBFYMGDDMMMHFU-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000761532837 1301491477 /nfs/dbraw/zinc/49/14/77/1301491477.db2.gz HBFYMGDDMMMHFU-GFCCVEGCSA-N 1 2 335.795 3.054 20 5 EGBDLO C[C@H](C(=O)OCc1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000764044227 1302005080 /nfs/dbraw/zinc/00/50/80/1302005080.db2.gz NGIALYFIPSXZPC-LBPRGKRZSA-N 1 2 325.324 3.089 20 5 EGBDLO COC(C)(C)C[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000770319237 1303247871 /nfs/dbraw/zinc/24/78/71/1303247871.db2.gz ONSIEGGDNZQTCL-UHFFFAOYSA-N 1 2 331.210 3.214 20 5 EGBDLO COC(C)(C)C[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000770319237 1303247873 /nfs/dbraw/zinc/24/78/73/1303247873.db2.gz ONSIEGGDNZQTCL-UHFFFAOYSA-N 1 2 331.210 3.214 20 5 EGBDLO C[N@H+](Cc1ccccc1N1CCCC1)Cc1cccnc1[N+](=O)[O-] ZINC000885926380 1303280158 /nfs/dbraw/zinc/28/01/58/1303280158.db2.gz CKHJGNODUPCGTC-UHFFFAOYSA-N 1 2 326.400 3.222 20 5 EGBDLO C[N@@H+](Cc1ccccc1N1CCCC1)Cc1cccnc1[N+](=O)[O-] ZINC000885926380 1303280161 /nfs/dbraw/zinc/28/01/61/1303280161.db2.gz CKHJGNODUPCGTC-UHFFFAOYSA-N 1 2 326.400 3.222 20 5 EGBDLO Cc1ccccc1CC(N)=[NH+]OCCOc1ccc([N+](=O)[O-])cc1 ZINC000782336703 1304957862 /nfs/dbraw/zinc/95/78/62/1304957862.db2.gz JXHVISIYNWVHDZ-UHFFFAOYSA-N 1 2 329.356 3.023 20 5 EGBDLO COc1c(O)ccc(C[NH2+][C@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000892629848 1305479402 /nfs/dbraw/zinc/47/94/02/1305479402.db2.gz ACXZSENZKWPAFD-SECBINFHSA-N 1 2 338.310 3.438 20 5 EGBDLO CCc1ccc(C[N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794616489 1309555232 /nfs/dbraw/zinc/55/52/32/1309555232.db2.gz LLQLDGJSKPVMLR-UHFFFAOYSA-N 1 2 341.367 3.155 20 5 EGBDLO CCc1ccc(C[N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)cc1 ZINC000794616489 1309555236 /nfs/dbraw/zinc/55/52/36/1309555236.db2.gz LLQLDGJSKPVMLR-UHFFFAOYSA-N 1 2 341.367 3.155 20 5 EGBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CC)C(=O)OCC ZINC000801548935 1310964131 /nfs/dbraw/zinc/96/41/31/1310964131.db2.gz XMFMRAPQRNSQAK-AWEZNQCLSA-N 1 2 326.368 3.288 20 5 EGBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CC)C(=O)OCC ZINC000801548935 1310964138 /nfs/dbraw/zinc/96/41/38/1310964138.db2.gz XMFMRAPQRNSQAK-AWEZNQCLSA-N 1 2 326.368 3.288 20 5 EGBDLO Cc1nn(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC000808199497 1317644188 /nfs/dbraw/zinc/64/41/88/1317644188.db2.gz VZEPXHOSEAUMBN-IAGOWNOFSA-N 1 2 344.415 3.235 20 5 EGBDLO Cc1nn(C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1[N+](=O)[O-] ZINC000808199497 1317644197 /nfs/dbraw/zinc/64/41/97/1317644197.db2.gz VZEPXHOSEAUMBN-IAGOWNOFSA-N 1 2 344.415 3.235 20 5 EGBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)cc1-n1cc[nH+]c1 ZINC000904239003 1317817355 /nfs/dbraw/zinc/81/73/55/1317817355.db2.gz HZWSBUPOTFATSL-UHFFFAOYSA-N 1 2 333.307 3.498 20 5 EGBDLO Cc1cccn2cc(CC(=O)Nc3cccc([N+](=O)[O-])c3Cl)[nH+]c12 ZINC000813243850 1318521352 /nfs/dbraw/zinc/52/13/52/1318521352.db2.gz AZHBIAUCJCMKLX-UHFFFAOYSA-N 1 2 344.758 3.386 20 5 EGBDLO C[N@H+](CC(F)F)C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000814362922 1318729347 /nfs/dbraw/zinc/72/93/47/1318729347.db2.gz GFEBBTSLOFUFBL-UHFFFAOYSA-N 1 2 333.766 3.414 20 5 EGBDLO C[N@@H+](CC(F)F)C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000814362922 1318729353 /nfs/dbraw/zinc/72/93/53/1318729353.db2.gz GFEBBTSLOFUFBL-UHFFFAOYSA-N 1 2 333.766 3.414 20 5 EGBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c2nonc21 ZINC000914862891 1319389835 /nfs/dbraw/zinc/38/98/35/1319389835.db2.gz VWNGWFPLSKOFQO-UHFFFAOYSA-N 1 2 340.343 3.260 20 5 EGBDLO O=[N+]([O-])c1c(Br)cccc1NCCNc1cccc[nH+]1 ZINC000820608833 1319920513 /nfs/dbraw/zinc/92/05/13/1319920513.db2.gz AFJQNTUAZAUEND-UHFFFAOYSA-N 1 2 337.177 3.276 20 5 EGBDLO C[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC2(CCC2)O1 ZINC000842639284 1321411467 /nfs/dbraw/zinc/41/14/67/1321411467.db2.gz JOCDXNCJSDATMZ-AWEZNQCLSA-N 1 2 342.399 3.059 20 5 EGBDLO C[C@H]1C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC2(CCC2)O1 ZINC000842639284 1321411471 /nfs/dbraw/zinc/41/14/71/1321411471.db2.gz JOCDXNCJSDATMZ-AWEZNQCLSA-N 1 2 342.399 3.059 20 5 EGBDLO CC(C)(C)c1cn(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c[nH+]1 ZINC000865375717 1329689828 /nfs/dbraw/zinc/68/98/28/1329689828.db2.gz LMVZPXSTRXYLHJ-UHFFFAOYSA-N 1 2 327.344 3.187 20 5 EGBDLO CC(C)(C)c1cn(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c[nH+]1 ZINC000865375656 1329689832 /nfs/dbraw/zinc/68/98/32/1329689832.db2.gz KEYLETVRMDLGMG-UHFFFAOYSA-N 1 2 327.344 3.187 20 5 EGBDLO C[N@H+](CCC(F)(F)F)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001326795874 1388312797 /nfs/dbraw/zinc/31/27/97/1388312797.db2.gz MZGMQMMUPHGAGX-UHFFFAOYSA-N 1 2 328.294 3.300 20 5 EGBDLO C[N@@H+](CCC(F)(F)F)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001326795874 1388312801 /nfs/dbraw/zinc/31/28/01/1388312801.db2.gz MZGMQMMUPHGAGX-UHFFFAOYSA-N 1 2 328.294 3.300 20 5 EGBDLO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225626859 1375134633 /nfs/dbraw/zinc/13/46/33/1375134633.db2.gz WSVYVAKYRMAAMO-UONOGXRCSA-N 1 2 343.383 3.300 20 5 EGBDLO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225626859 1375134635 /nfs/dbraw/zinc/13/46/35/1375134635.db2.gz WSVYVAKYRMAAMO-UONOGXRCSA-N 1 2 343.383 3.300 20 5 EGBDLO CC/C=C(\C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147105822 1378969312 /nfs/dbraw/zinc/96/93/12/1378969312.db2.gz JLOHNZOGRKMDDQ-YIXHJXPBSA-N 1 2 349.456 3.047 20 5 EGBDLO CC/C=C(\C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147105822 1378969315 /nfs/dbraw/zinc/96/93/15/1378969315.db2.gz JLOHNZOGRKMDDQ-YIXHJXPBSA-N 1 2 349.456 3.047 20 5 EGBDLO COc1cc[nH+]c(C(C)(C)CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001162130035 1382633923 /nfs/dbraw/zinc/63/39/23/1382633923.db2.gz UWTAKGNRHBAEGL-UHFFFAOYSA-N 1 2 341.371 3.264 20 5 EGBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCO1 ZINC001338310890 1389630431 /nfs/dbraw/zinc/63/04/31/1389630431.db2.gz IEVLDDXTGOUCKD-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCO1 ZINC001338310890 1389630433 /nfs/dbraw/zinc/63/04/33/1389630433.db2.gz IEVLDDXTGOUCKD-ZDUSSCGKSA-N 1 2 343.221 3.358 20 5 EGBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001347556161 1391092100 /nfs/dbraw/zinc/09/21/00/1391092100.db2.gz RKFKVOCZDMJPKA-UHFFFAOYSA-N 1 2 348.790 3.002 20 5 EGBDLO C[C@H](C(=O)OCCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001348522845 1391232046 /nfs/dbraw/zinc/23/20/46/1391232046.db2.gz FWEAYIBGEOPSAA-ZDUSSCGKSA-N 1 2 343.383 3.017 20 5 EGBDLO Cc1c(C[NH+]2CCN(Cc3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000051129594 214079933 /nfs/dbraw/zinc/07/99/33/214079933.db2.gz RLTNDVIFHIYVOY-UHFFFAOYSA-N 1 2 331.441 3.283 20 5 EGBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000129323778 223044473 /nfs/dbraw/zinc/04/44/73/223044473.db2.gz CZHJQFNNGFWMNV-CYBMUJFWSA-N 1 2 345.424 3.175 20 5 EGBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+](C2CCC2)CC1 ZINC000264949661 247076272 /nfs/dbraw/zinc/07/62/72/247076272.db2.gz JOZNIDDSAFILPL-UHFFFAOYSA-N 1 2 345.424 3.120 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)c(N2CC[C@H]([NH+]3CC=CC3)C2)c(Cl)c1 ZINC000125650009 285087536 /nfs/dbraw/zinc/08/75/36/285087536.db2.gz TZCBSUQJIVXTNK-JTQLQIEISA-N 1 2 328.199 3.352 20 5 EGBDLO O=[N+]([O-])c1cnn(CC[NH+]2Cc3ccccc3-c3ccccc3C2)c1 ZINC000157909346 285189150 /nfs/dbraw/zinc/18/91/50/285189150.db2.gz GTOKPJPUXVPBDS-UHFFFAOYSA-N 1 2 334.379 3.474 20 5 EGBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnnn1C1CCCCC1 ZINC000189782530 533535354 /nfs/dbraw/zinc/53/53/54/533535354.db2.gz GVWKPCIASDAMIR-CHWSQXEVSA-N 1 2 344.419 3.498 20 5 EGBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000353351257 141293220 /nfs/dbraw/zinc/29/32/20/141293220.db2.gz JXCSOBFSMLLOOU-CYBMUJFWSA-N 1 2 349.778 3.255 20 5 EGBDLO Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000172280025 144018989 /nfs/dbraw/zinc/01/89/89/144018989.db2.gz WCWVOOPUIBNFIB-KFWWJZLASA-N 1 2 326.356 3.092 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000175280230 144061397 /nfs/dbraw/zinc/06/13/97/144061397.db2.gz WVHHYMBEFADNNH-AWEZNQCLSA-N 1 2 329.360 3.385 20 5 EGBDLO Cc1ccc(C[N@H+](CCO)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000351754897 144301845 /nfs/dbraw/zinc/30/18/45/144301845.db2.gz GGSPCMVMZUQYME-UHFFFAOYSA-N 1 2 336.338 3.176 20 5 EGBDLO Cc1ccc(C[N@@H+](CCO)Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000351754897 144301846 /nfs/dbraw/zinc/30/18/46/144301846.db2.gz GGSPCMVMZUQYME-UHFFFAOYSA-N 1 2 336.338 3.176 20 5 EGBDLO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120609253 152287925 /nfs/dbraw/zinc/28/79/25/152287925.db2.gz VHZZUUGADKORSJ-CXAGYDPISA-N 1 2 348.424 3.497 20 5 EGBDLO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120609253 152287926 /nfs/dbraw/zinc/28/79/26/152287926.db2.gz VHZZUUGADKORSJ-CXAGYDPISA-N 1 2 348.424 3.497 20 5 EGBDLO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337377763 154318996 /nfs/dbraw/zinc/31/89/96/154318996.db2.gz WIMQIKXRWZKVQB-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337377763 154319001 /nfs/dbraw/zinc/31/90/01/154319001.db2.gz WIMQIKXRWZKVQB-ZDUSSCGKSA-N 1 2 343.383 3.062 20 5 EGBDLO CCCn1nccc1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000337377313 154319540 /nfs/dbraw/zinc/31/95/40/154319540.db2.gz HGKQYGIRUNLDLI-UHFFFAOYSA-N 1 2 344.415 3.287 20 5 EGBDLO CC[C@@]1(C)C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000248996050 163050599 /nfs/dbraw/zinc/05/05/99/163050599.db2.gz XZYRDAIPISAGAU-PXAZEXFGSA-N 1 2 346.387 3.207 20 5 EGBDLO CC[C@@]1(C)C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000248996050 163050601 /nfs/dbraw/zinc/05/06/01/163050601.db2.gz XZYRDAIPISAGAU-PXAZEXFGSA-N 1 2 346.387 3.207 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000305160207 163075813 /nfs/dbraw/zinc/07/58/13/163075813.db2.gz FAQBSUPHZAYBIL-RBUKOAKNSA-N 1 2 342.395 3.010 20 5 EGBDLO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000305160207 163075817 /nfs/dbraw/zinc/07/58/17/163075817.db2.gz FAQBSUPHZAYBIL-RBUKOAKNSA-N 1 2 342.395 3.010 20 5 EGBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000337120220 163134181 /nfs/dbraw/zinc/13/41/81/163134181.db2.gz YQXKXNCCPBFHJZ-UHFFFAOYSA-N 1 2 328.294 3.337 20 5 EGBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000337198827 163160229 /nfs/dbraw/zinc/16/02/29/163160229.db2.gz ZZDBMVUPUCPMLN-CQSZACIVSA-N 1 2 337.383 3.335 20 5 EGBDLO Cc1cc(N[C@@H](C)C[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000338720657 163331074 /nfs/dbraw/zinc/33/10/74/163331074.db2.gz MJSAPTDEUGHYLO-BLLLJJGKSA-N 1 2 342.399 3.152 20 5 EGBDLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000338939755 163394029 /nfs/dbraw/zinc/39/40/29/163394029.db2.gz MTBZTIVIPLDWIG-ZDUSSCGKSA-N 1 2 345.424 3.175 20 5 EGBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000344203248 164125699 /nfs/dbraw/zinc/12/56/99/164125699.db2.gz CWXGOUMEIRSOHV-UHFFFAOYSA-N 1 2 340.314 3.387 20 5 EGBDLO Cc1ccn2cc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3F)[nH+]c2c1 ZINC000351653116 165115765 /nfs/dbraw/zinc/11/57/65/165115765.db2.gz VKJIPVKDBIMDRC-UHFFFAOYSA-N 1 2 343.318 3.012 20 5 EGBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000358951815 167016986 /nfs/dbraw/zinc/01/69/86/167016986.db2.gz MDHKBSOHBVQKSK-UHFFFAOYSA-N 1 2 344.419 3.117 20 5 EGBDLO C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000172652143 287339373 /nfs/dbraw/zinc/33/93/73/287339373.db2.gz CTSRXVFMSIXRAI-OLZOCXBDSA-N 1 2 328.372 3.041 20 5 EGBDLO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000273452354 267041685 /nfs/dbraw/zinc/04/16/85/267041685.db2.gz LLFAFMKMRIVFBH-ABAIWWIYSA-N 1 2 347.350 3.045 20 5 EGBDLO COc1cc[nH+]cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273966568 267154263 /nfs/dbraw/zinc/15/42/63/267154263.db2.gz QISCMEUWRCFVSY-UHFFFAOYSA-N 1 2 333.319 3.054 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc1Cl ZINC000128101474 275192253 /nfs/dbraw/zinc/19/22/53/275192253.db2.gz IQPNPZUXQGTZNI-UHFFFAOYSA-N 1 2 338.713 3.137 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000195196802 275231362 /nfs/dbraw/zinc/23/13/62/275231362.db2.gz HWVYSXRBMCYEQW-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000195196802 275231363 /nfs/dbraw/zinc/23/13/63/275231363.db2.gz HWVYSXRBMCYEQW-SFHVURJKSA-N 1 2 328.368 3.047 20 5 EGBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000281865085 275583684 /nfs/dbraw/zinc/58/36/84/275583684.db2.gz RCCSLQUQDDBFPF-GFCCVEGCSA-N 1 2 334.401 3.240 20 5 EGBDLO Cc1cc(F)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000284084424 275773063 /nfs/dbraw/zinc/77/30/63/275773063.db2.gz RQGMBWVNNTVRAF-UHFFFAOYSA-N 1 2 347.350 3.108 20 5 EGBDLO CCn1c2ccccc2[nH+]c1CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000288097449 276182695 /nfs/dbraw/zinc/18/26/95/276182695.db2.gz JIROQSQCBWVKKU-UHFFFAOYSA-N 1 2 342.403 3.144 20 5 EGBDLO CCC(=O)c1ccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000373552437 276205679 /nfs/dbraw/zinc/20/56/79/276205679.db2.gz RFNJJMSAXPFRJV-CXAGYDPISA-N 1 2 342.399 3.472 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066847863 307363485 /nfs/dbraw/zinc/36/34/85/307363485.db2.gz PKZOCHBZKFUOFN-GOSISDBHSA-N 1 2 330.359 3.350 20 5 EGBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066847863 307363486 /nfs/dbraw/zinc/36/34/86/307363486.db2.gz PKZOCHBZKFUOFN-GOSISDBHSA-N 1 2 330.359 3.350 20 5 EGBDLO CC(C)c1nnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[nH]1 ZINC000294803847 308258928 /nfs/dbraw/zinc/25/89/28/308258928.db2.gz NDNJVKALHVSOEY-UHFFFAOYSA-N 1 2 344.202 3.433 20 5 EGBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)c2c1 ZINC000413308651 309026177 /nfs/dbraw/zinc/02/61/77/309026177.db2.gz ADDQMNDCZYHJNQ-YCPHGPKFSA-N 1 2 327.384 3.130 20 5 EGBDLO CC[C@@H]1C[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](CC)O1 ZINC000420955203 309304109 /nfs/dbraw/zinc/30/41/09/309304109.db2.gz KZANTXMAGHRVGE-HUUCEWRRSA-N 1 2 346.387 3.034 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000421788157 309340205 /nfs/dbraw/zinc/34/02/05/309340205.db2.gz RSMPIZGLIFJMAD-SJCJKPOMSA-N 1 2 342.399 3.131 20 5 EGBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)CCC2 ZINC000421790030 309340296 /nfs/dbraw/zinc/34/02/96/309340296.db2.gz CGUVFEUAWYGOME-AWEZNQCLSA-N 1 2 342.399 3.024 20 5 EGBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000431413797 309632263 /nfs/dbraw/zinc/63/22/63/309632263.db2.gz LBYSJTORCCUVPR-UHFFFAOYSA-N 1 2 336.351 3.094 20 5 EGBDLO Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000455114471 310345197 /nfs/dbraw/zinc/34/51/97/310345197.db2.gz VZYKFNQBRZNCBX-ZDUSSCGKSA-N 1 2 328.372 3.167 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(F)c(F)cc3F)nc2c1 ZINC000446839034 309968962 /nfs/dbraw/zinc/96/89/62/309968962.db2.gz OOHUEBVAXJSKJS-UHFFFAOYSA-N 1 2 336.273 3.178 20 5 EGBDLO Cc1ccsc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447815041 309989544 /nfs/dbraw/zinc/98/95/44/309989544.db2.gz BEZSHUVLZKIPKM-UHFFFAOYSA-N 1 2 347.440 3.409 20 5 EGBDLO CC(C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449925309 310094327 /nfs/dbraw/zinc/09/43/27/310094327.db2.gz JRNOACXLJXQAMZ-OAHLLOKOSA-N 1 2 342.399 3.431 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449937981 310094971 /nfs/dbraw/zinc/09/49/71/310094971.db2.gz HXDBPKMOMNILGW-ZIAGYGMSSA-N 1 2 342.399 3.431 20 5 EGBDLO Cc1csc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000450720138 310139261 /nfs/dbraw/zinc/13/92/61/310139261.db2.gz SIRMCBRNDAUBAO-UHFFFAOYSA-N 1 2 347.440 3.409 20 5 EGBDLO CCOC(=O)c1cc(NCc2c[nH+]c(C)cc2C)ccc1[N+](=O)[O-] ZINC000450915203 310149646 /nfs/dbraw/zinc/14/96/46/310149646.db2.gz ZFQCQNREOWPQFH-UHFFFAOYSA-N 1 2 329.356 3.395 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452749750 310240422 /nfs/dbraw/zinc/24/04/22/310240422.db2.gz DAFJIFYBXOXVOQ-UHFFFAOYSA-N 1 2 328.372 3.305 20 5 EGBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000455150866 310347410 /nfs/dbraw/zinc/34/74/10/310347410.db2.gz YQFMBVIITUOZAD-GFCCVEGCSA-N 1 2 331.376 3.311 20 5 EGBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000456347898 310400205 /nfs/dbraw/zinc/40/02/05/310400205.db2.gz HWSLIKKQGRPGQP-NSHDSACASA-N 1 2 348.378 3.105 20 5 EGBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459629537 310565078 /nfs/dbraw/zinc/56/50/78/310565078.db2.gz HBHJHWBOOPKAQT-SNVBAGLBSA-N 1 2 333.413 3.399 20 5 EGBDLO CCc1cc(NCC2CC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488425106 311065036 /nfs/dbraw/zinc/06/50/36/311065036.db2.gz FHYQTEZKKNVPRG-UHFFFAOYSA-N 1 2 348.353 3.493 20 5 EGBDLO CCc1cc(NC[C@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000519965325 312489407 /nfs/dbraw/zinc/48/94/07/312489407.db2.gz DGXHYTKWTJYLRE-MRXNPFEDSA-N 1 2 342.399 3.017 20 5 EGBDLO CCc1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000524766722 312678201 /nfs/dbraw/zinc/67/82/01/312678201.db2.gz KHQYAUZUJGCXHA-UHFFFAOYSA-N 1 2 331.372 3.189 20 5 EGBDLO Cc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000532502810 313808553 /nfs/dbraw/zinc/80/85/53/313808553.db2.gz VVXLSEUNFBDRNA-VIFPVBQESA-N 1 2 339.193 3.240 20 5 EGBDLO Cc1ccc(-c2noc(Cc3cn4ccccc4[nH+]3)n2)cc1[N+](=O)[O-] ZINC000544951481 314725981 /nfs/dbraw/zinc/72/59/81/314725981.db2.gz JKMQQUZWUVWVEP-UHFFFAOYSA-N 1 2 335.323 3.192 20 5 EGBDLO CC1=CC[N@H+](CCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000565718700 316360813 /nfs/dbraw/zinc/36/08/13/316360813.db2.gz DUQPNKRASFTKGN-HNNXBMFYSA-N 1 2 343.349 3.440 20 5 EGBDLO CC1=CC[N@@H+](CCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000565718700 316360817 /nfs/dbraw/zinc/36/08/17/316360817.db2.gz DUQPNKRASFTKGN-HNNXBMFYSA-N 1 2 343.349 3.440 20 5 EGBDLO C[C@H]([NH2+]Cc1nc(Cc2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000173388541 323294624 /nfs/dbraw/zinc/29/46/24/323294624.db2.gz OLDDDIONYLTLAD-ZDUSSCGKSA-N 1 2 338.367 3.419 20 5 EGBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000579971306 325185609 /nfs/dbraw/zinc/18/56/09/325185609.db2.gz AIVRBBJBALBYJW-CABCVRRESA-N 1 2 334.322 3.184 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000425448108 457558127 /nfs/dbraw/zinc/55/81/27/457558127.db2.gz UBPWFRDJIRHTRJ-AWEZNQCLSA-N 1 2 341.205 3.112 20 5 EGBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000425448108 457558135 /nfs/dbraw/zinc/55/81/35/457558135.db2.gz UBPWFRDJIRHTRJ-AWEZNQCLSA-N 1 2 341.205 3.112 20 5 EGBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccs1 ZINC000007846767 453124962 /nfs/dbraw/zinc/12/49/62/453124962.db2.gz PYYWHVWSMVQPIJ-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccs1 ZINC000007846767 453124966 /nfs/dbraw/zinc/12/49/66/453124966.db2.gz PYYWHVWSMVQPIJ-UHFFFAOYSA-N 1 2 339.804 3.380 20 5 EGBDLO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009998085 453269836 /nfs/dbraw/zinc/26/98/36/453269836.db2.gz USEZZZMHNZEBIO-GHMZBOCLSA-N 1 2 325.796 3.450 20 5 EGBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc(F)cc2c1OCOC2 ZINC000026348786 453797628 /nfs/dbraw/zinc/79/76/28/453797628.db2.gz GXEJDZQDSHTIOS-UHFFFAOYSA-N 1 2 332.331 3.232 20 5 EGBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc(F)cc2c1OCOC2 ZINC000026348786 453797629 /nfs/dbraw/zinc/79/76/29/453797629.db2.gz GXEJDZQDSHTIOS-UHFFFAOYSA-N 1 2 332.331 3.232 20 5 EGBDLO C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000032170768 453865689 /nfs/dbraw/zinc/86/56/89/453865689.db2.gz UBDBPLPIFYMDFL-DZGCQCFKSA-N 1 2 342.399 3.431 20 5 EGBDLO CN(Cc1ccsc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033220975 453911445 /nfs/dbraw/zinc/91/14/45/453911445.db2.gz PXUYECKWCOTRRN-UHFFFAOYSA-N 1 2 342.380 3.114 20 5 EGBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000075643058 453913843 /nfs/dbraw/zinc/91/38/43/453913843.db2.gz HIRVUFJPYGOKMI-ZDUSSCGKSA-N 1 2 345.424 3.175 20 5 EGBDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000076608610 454019045 /nfs/dbraw/zinc/01/90/45/454019045.db2.gz YRMDWBNEAMWNRL-GOSISDBHSA-N 1 2 328.368 3.177 20 5 EGBDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000076608610 454019049 /nfs/dbraw/zinc/01/90/49/454019049.db2.gz YRMDWBNEAMWNRL-GOSISDBHSA-N 1 2 328.368 3.177 20 5 EGBDLO Cc1ccc2[nH+]c(CNC(=O)Nc3cc([N+](=O)[O-])ccc3C)cn2c1 ZINC000056530712 454065729 /nfs/dbraw/zinc/06/57/29/454065729.db2.gz QSUCPABNSPDKDT-UHFFFAOYSA-N 1 2 339.355 3.181 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000057127394 454104219 /nfs/dbraw/zinc/10/42/19/454104219.db2.gz JCTFDRPWPXLSJC-OAHLLOKOSA-N 1 2 345.374 3.047 20 5 EGBDLO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000057127394 454104222 /nfs/dbraw/zinc/10/42/22/454104222.db2.gz JCTFDRPWPXLSJC-OAHLLOKOSA-N 1 2 345.374 3.047 20 5 EGBDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607094 454114994 /nfs/dbraw/zinc/11/49/94/454114994.db2.gz IFLMFNRHZBYOOT-XOYHFGRZSA-N 1 2 345.443 3.036 20 5 EGBDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607094 454114997 /nfs/dbraw/zinc/11/49/97/454114997.db2.gz IFLMFNRHZBYOOT-XOYHFGRZSA-N 1 2 345.443 3.036 20 5 EGBDLO Cc1ccc(NC(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000088606821 454115074 /nfs/dbraw/zinc/11/50/74/454115074.db2.gz LXEBIALCOGTBIR-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO Cc1ccc(NC(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000088606821 454115077 /nfs/dbraw/zinc/11/50/77/454115077.db2.gz LXEBIALCOGTBIR-UHFFFAOYSA-N 1 2 339.395 3.208 20 5 EGBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000057839805 454151086 /nfs/dbraw/zinc/15/10/86/454151086.db2.gz QKXFQFHESNZRBU-UHFFFAOYSA-N 1 2 332.257 3.129 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)cn1 ZINC000045910110 454194991 /nfs/dbraw/zinc/19/49/91/454194991.db2.gz JRMHUOBPCCLGIV-UHFFFAOYSA-N 1 2 338.820 3.027 20 5 EGBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000119978832 454244037 /nfs/dbraw/zinc/24/40/37/454244037.db2.gz YTLKXBUROQFZFS-ZDUSSCGKSA-N 1 2 343.387 3.346 20 5 EGBDLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000059887093 454263828 /nfs/dbraw/zinc/26/38/28/454263828.db2.gz KLSMFLJYTRTFSG-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO Cc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000072312602 454292533 /nfs/dbraw/zinc/29/25/33/454292533.db2.gz TYRCAFHCKHXSIK-UHFFFAOYSA-N 1 2 337.335 3.446 20 5 EGBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000047265299 454348621 /nfs/dbraw/zinc/34/86/21/454348621.db2.gz NCOQPMMZKJGIIG-UHFFFAOYSA-N 1 2 345.424 3.051 20 5 EGBDLO Cc1cc(N(C)Cc2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000074782838 454634508 /nfs/dbraw/zinc/63/45/08/454634508.db2.gz WOTLWZIMXQBBSK-UHFFFAOYSA-N 1 2 341.396 3.453 20 5 EGBDLO Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000051739883 454636519 /nfs/dbraw/zinc/63/65/19/454636519.db2.gz MRLGYJWKPPMXIL-IBGZPJMESA-N 1 2 341.411 3.389 20 5 EGBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000162766044 454799432 /nfs/dbraw/zinc/79/94/32/454799432.db2.gz JRAUIEWGJWTLIS-UHFFFAOYSA-N 1 2 326.287 3.376 20 5 EGBDLO Cc1ccc(C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)o1 ZINC000164989269 454892764 /nfs/dbraw/zinc/89/27/64/454892764.db2.gz ACQWTLBNEHBSSJ-UHFFFAOYSA-N 1 2 343.383 3.408 20 5 EGBDLO Cc1ccc(C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C2CC2)o1 ZINC000164989269 454892767 /nfs/dbraw/zinc/89/27/67/454892767.db2.gz ACQWTLBNEHBSSJ-UHFFFAOYSA-N 1 2 343.383 3.408 20 5 EGBDLO CC1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000155527388 455012383 /nfs/dbraw/zinc/01/23/83/455012383.db2.gz UVIMOTMVDXAPTO-UHFFFAOYSA-N 1 2 342.399 3.433 20 5 EGBDLO Cc1cccc(F)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179900019 455095880 /nfs/dbraw/zinc/09/58/80/455095880.db2.gz PEKFYRPJQFDMSA-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000173531799 455302116 /nfs/dbraw/zinc/30/21/16/455302116.db2.gz APNYBNQPZAHCOU-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000173531799 455302124 /nfs/dbraw/zinc/30/21/24/455302124.db2.gz APNYBNQPZAHCOU-CQSZACIVSA-N 1 2 339.395 3.289 20 5 EGBDLO O=[N+]([O-])c1ccccc1OCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000181660497 455369801 /nfs/dbraw/zinc/36/98/01/455369801.db2.gz VIHKGNHFGWARGC-UHFFFAOYSA-N 1 2 325.324 3.238 20 5 EGBDLO Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1F ZINC000182552140 455539668 /nfs/dbraw/zinc/53/96/68/455539668.db2.gz CEXLWLQGNXWZDH-UHFFFAOYSA-N 1 2 340.314 3.480 20 5 EGBDLO Nc1ccc([N+](=O)[O-])c(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000192770360 455689759 /nfs/dbraw/zinc/68/97/59/455689759.db2.gz XHKZXNNEGMGKDX-UHFFFAOYSA-N 1 2 337.383 3.437 20 5 EGBDLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccccc3[N+](=O)[O-])c2cc1C ZINC000270063741 455869079 /nfs/dbraw/zinc/86/90/79/455869079.db2.gz CUCIPHHYVLQTGG-CQSZACIVSA-N 1 2 341.367 3.001 20 5 EGBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000296510051 455959215 /nfs/dbraw/zinc/95/92/15/455959215.db2.gz YOFPODYEMAWALG-CYBMUJFWSA-N 1 2 347.350 3.082 20 5 EGBDLO Cc1cc(N2CCC[C@](C)(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280565066 456000490 /nfs/dbraw/zinc/00/04/90/456000490.db2.gz VAKBQSQSYNZVFW-SFHVURJKSA-N 1 2 342.399 3.102 20 5 EGBDLO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCCCC2 ZINC000270925711 456068017 /nfs/dbraw/zinc/06/80/17/456068017.db2.gz VYPSSJFLKRLPBC-UHFFFAOYSA-N 1 2 349.406 3.101 20 5 EGBDLO CC(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC12CCCCC2 ZINC000270925711 456068023 /nfs/dbraw/zinc/06/80/23/456068023.db2.gz VYPSSJFLKRLPBC-UHFFFAOYSA-N 1 2 349.406 3.101 20 5 EGBDLO CC[C@@H](C)[C@@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301258218 456073711 /nfs/dbraw/zinc/07/37/11/456073711.db2.gz UKNGTWHCABVGCJ-ABAIWWIYSA-N 1 2 330.388 3.179 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000352768666 456291176 /nfs/dbraw/zinc/29/11/76/456291176.db2.gz IRBNWISOWLWGSL-AWEZNQCLSA-N 1 2 344.390 3.321 20 5 EGBDLO CCC[NH+]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275839429 456327883 /nfs/dbraw/zinc/32/78/83/456327883.db2.gz POTVWXMLPJCRGO-UHFFFAOYSA-N 1 2 349.434 3.261 20 5 EGBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ncn(C)n1 ZINC000275866201 456335785 /nfs/dbraw/zinc/33/57/85/456335785.db2.gz UTTWXIJADMNZON-LLVKDONJSA-N 1 2 343.412 3.303 20 5 EGBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353544703 456748888 /nfs/dbraw/zinc/74/88/88/456748888.db2.gz PYMHDPYKESUCOX-UHFFFAOYSA-N 1 2 329.360 3.101 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000301148470 456807250 /nfs/dbraw/zinc/80/72/50/456807250.db2.gz LGDVZBYZBZRURP-UHFFFAOYSA-N 1 2 332.429 3.072 20 5 EGBDLO Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000301148470 456807258 /nfs/dbraw/zinc/80/72/58/456807258.db2.gz LGDVZBYZBZRURP-UHFFFAOYSA-N 1 2 332.429 3.072 20 5 EGBDLO CC(C)CSCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353631241 456815491 /nfs/dbraw/zinc/81/54/91/456815491.db2.gz KITCBYDEYAPZRC-INIZCTEOSA-N 1 2 348.472 3.397 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000339198426 456987596 /nfs/dbraw/zinc/98/75/96/456987596.db2.gz HDDJBOLBKQHZIV-OAHLLOKOSA-N 1 2 336.775 3.167 20 5 EGBDLO COc1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC000356519577 457032719 /nfs/dbraw/zinc/03/27/19/457032719.db2.gz FYKQQVDZPYTFGU-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO COc1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC000356519577 457032724 /nfs/dbraw/zinc/03/27/24/457032724.db2.gz FYKQQVDZPYTFGU-UHFFFAOYSA-N 1 2 344.367 3.007 20 5 EGBDLO Cc1ccccc1-n1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000342146594 457134802 /nfs/dbraw/zinc/13/48/02/457134802.db2.gz TZGRUZCSGFKQLF-UHFFFAOYSA-N 1 2 337.383 3.082 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000359986926 457187423 /nfs/dbraw/zinc/18/74/23/457187423.db2.gz LTFMBWTUWSVXPY-BETUJISGSA-N 1 2 343.387 3.050 20 5 EGBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000356910405 457213776 /nfs/dbraw/zinc/21/37/76/457213776.db2.gz DAKUVMKWFGIEQD-JTQLQIEISA-N 1 2 328.328 3.397 20 5 EGBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH+]1 ZINC000357117146 457332820 /nfs/dbraw/zinc/33/28/20/457332820.db2.gz CJZJUXZFHWJTNW-UHFFFAOYSA-N 1 2 338.323 3.251 20 5 EGBDLO CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000342554617 457364012 /nfs/dbraw/zinc/36/40/12/457364012.db2.gz JKDVMPOPJCUBFY-UHFFFAOYSA-N 1 2 328.372 3.091 20 5 EGBDLO COc1cc(NC[C@H]2CCCn3cc(C)[nH+]c32)c([N+](=O)[O-])cc1F ZINC000361188326 457637626 /nfs/dbraw/zinc/63/76/26/457637626.db2.gz NBGUZJAEAAZGKA-LLVKDONJSA-N 1 2 334.351 3.237 20 5 EGBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000365306177 457739659 /nfs/dbraw/zinc/73/96/59/457739659.db2.gz CSKXFFPGRMTFRU-UHFFFAOYSA-N 1 2 348.790 3.053 20 5 EGBDLO COC(=O)c1ccc(F)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000358044300 457750576 /nfs/dbraw/zinc/75/05/76/457750576.db2.gz FTRAYRKCBOBKCO-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO COC(=O)c1ccc(F)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000358044300 457750582 /nfs/dbraw/zinc/75/05/82/457750582.db2.gz FTRAYRKCBOBKCO-UHFFFAOYSA-N 1 2 344.342 3.079 20 5 EGBDLO CC[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361492145 457752327 /nfs/dbraw/zinc/75/23/27/457752327.db2.gz DTIOWTHAINFHTN-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO CC[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361492145 457752332 /nfs/dbraw/zinc/75/23/32/457752332.db2.gz DTIOWTHAINFHTN-LRDDRELGSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000366470529 457818312 /nfs/dbraw/zinc/81/83/12/457818312.db2.gz VANHJFXYYSADLH-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCCOC2)O1 ZINC000366470529 457818318 /nfs/dbraw/zinc/81/83/18/457818318.db2.gz VANHJFXYYSADLH-BLLLJJGKSA-N 1 2 340.807 3.018 20 5 EGBDLO O=[N+]([O-])c1ccc2[nH]c(CSc3[nH+]cc4ccccn43)nc2c1 ZINC000361965893 457981838 /nfs/dbraw/zinc/98/18/38/457981838.db2.gz JHENYHMLDQSTJF-UHFFFAOYSA-N 1 2 325.353 3.411 20 5 EGBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000358505405 458045023 /nfs/dbraw/zinc/04/50/23/458045023.db2.gz BDQOEMNJKDANNG-UHFFFAOYSA-N 1 2 336.351 3.019 20 5 EGBDLO CC(C)[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447809958 458345038 /nfs/dbraw/zinc/34/50/38/458345038.db2.gz FCPPNLIBVWBLKH-KRWDZBQOSA-N 1 2 347.459 3.299 20 5 EGBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(C2CCCC2)C1 ZINC000376598338 458349547 /nfs/dbraw/zinc/34/95/47/458349547.db2.gz BPXRMUCPSVWBHA-UHFFFAOYSA-N 1 2 340.383 3.043 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000470218117 458625268 /nfs/dbraw/zinc/62/52/68/458625268.db2.gz LUIQOCJVSATLNX-POUQMFDLSA-N 1 2 346.427 3.126 20 5 EGBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000470218117 458625276 /nfs/dbraw/zinc/62/52/76/458625276.db2.gz LUIQOCJVSATLNX-POUQMFDLSA-N 1 2 346.427 3.126 20 5 EGBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2cc[nH+]cc21 ZINC000531781684 458977616 /nfs/dbraw/zinc/97/76/16/458977616.db2.gz VAWUQSLJJSPRKA-UHFFFAOYSA-N 1 2 343.364 3.252 20 5 EGBDLO COc1ccc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1[N+](=O)[O-] ZINC000520618193 459078969 /nfs/dbraw/zinc/07/89/69/459078969.db2.gz DGZZKWFKHFPTRP-UHFFFAOYSA-N 1 2 338.323 3.246 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590567627 459150055 /nfs/dbraw/zinc/15/00/55/459150055.db2.gz PZUHHFYKGASPIC-UHFFFAOYSA-N 1 2 334.754 3.032 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(NCC2CC[NH+](CC(F)F)CC2)c(F)c1 ZINC000590567603 459150472 /nfs/dbraw/zinc/15/04/72/459150472.db2.gz PIBYRLRDAUACEH-UHFFFAOYSA-N 1 2 335.301 3.262 20 5 EGBDLO CC1(C)C[N@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CCO1 ZINC000590576437 459152522 /nfs/dbraw/zinc/15/25/22/459152522.db2.gz RZNBZNXIYKNOII-UHFFFAOYSA-N 1 2 329.347 3.055 20 5 EGBDLO CC1(C)C[N@@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CCO1 ZINC000590576437 459152525 /nfs/dbraw/zinc/15/25/25/459152525.db2.gz RZNBZNXIYKNOII-UHFFFAOYSA-N 1 2 329.347 3.055 20 5 EGBDLO COc1cccc2c1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000590760128 459207647 /nfs/dbraw/zinc/20/76/47/459207647.db2.gz WKYZJQQEQUAECG-UHFFFAOYSA-N 1 2 338.367 3.038 20 5 EGBDLO COc1cccc2c1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000590760128 459207653 /nfs/dbraw/zinc/20/76/53/459207653.db2.gz WKYZJQQEQUAECG-UHFFFAOYSA-N 1 2 338.367 3.038 20 5 EGBDLO COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]cc2C)cc1SC ZINC000534299312 459308956 /nfs/dbraw/zinc/30/89/56/459308956.db2.gz VCNVDWUDJWMOGT-UHFFFAOYSA-N 1 2 347.396 3.011 20 5 EGBDLO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000595482657 459319550 /nfs/dbraw/zinc/31/95/50/459319550.db2.gz TVVPOBCHGSIBMD-GFCCVEGCSA-N 1 2 325.752 3.022 20 5 EGBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CCO)c2ccccc2F)c(F)c1 ZINC000592162167 459540412 /nfs/dbraw/zinc/54/04/12/459540412.db2.gz VFBWRWBLAZGDHK-MRXNPFEDSA-N 1 2 340.301 3.225 20 5 EGBDLO CCn1cc[nH+]c1CNc1c(Br)cccc1[N+](=O)[O-] ZINC000596249923 459575107 /nfs/dbraw/zinc/57/51/07/459575107.db2.gz CYMYMBFGYOPGAH-UHFFFAOYSA-N 1 2 325.166 3.186 20 5 EGBDLO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)OC(C)(C)C ZINC000499248487 459628607 /nfs/dbraw/zinc/62/86/07/459628607.db2.gz QKPYYGDRWXXAJI-UHFFFAOYSA-N 1 2 338.404 3.026 20 5 EGBDLO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)OC(C)(C)C ZINC000499248487 459628613 /nfs/dbraw/zinc/62/86/13/459628613.db2.gz QKPYYGDRWXXAJI-UHFFFAOYSA-N 1 2 338.404 3.026 20 5 EGBDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000566364800 459852112 /nfs/dbraw/zinc/85/21/12/459852112.db2.gz APXOHFKUGLRHAG-LLVKDONJSA-N 1 2 348.428 3.158 20 5 EGBDLO CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598448222 459901974 /nfs/dbraw/zinc/90/19/74/459901974.db2.gz MYFKITNTDCLGLZ-LQDVMPOASA-N 1 2 340.383 3.184 20 5 EGBDLO C[N@H+](Cc1ccccc1OCCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000602438568 459937405 /nfs/dbraw/zinc/93/74/05/459937405.db2.gz FSVLNZRGRUVANJ-UHFFFAOYSA-N 1 2 344.411 3.378 20 5 EGBDLO C[N@@H+](Cc1ccccc1OCCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000602438568 459937410 /nfs/dbraw/zinc/93/74/10/459937410.db2.gz FSVLNZRGRUVANJ-UHFFFAOYSA-N 1 2 344.411 3.378 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000610476276 460159263 /nfs/dbraw/zinc/15/92/63/460159263.db2.gz CMPMYVKWGLRNAW-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000610476276 460159270 /nfs/dbraw/zinc/15/92/70/460159270.db2.gz CMPMYVKWGLRNAW-UHFFFAOYSA-N 1 2 343.358 3.251 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOc2ccccc2C1 ZINC000610476262 460160130 /nfs/dbraw/zinc/16/01/30/460160130.db2.gz SHCKKOXUMKUALH-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOc2ccccc2C1 ZINC000610476262 460160132 /nfs/dbraw/zinc/16/01/32/460160132.db2.gz SHCKKOXUMKUALH-UHFFFAOYSA-N 1 2 328.368 3.388 20 5 EGBDLO O=[N+]([O-])c1sccc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000611493799 460376781 /nfs/dbraw/zinc/37/67/81/460376781.db2.gz JYCONGSZGXGVBJ-UHFFFAOYSA-N 1 2 326.381 3.405 20 5 EGBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccsc1 ZINC000619757423 460434035 /nfs/dbraw/zinc/43/40/35/460434035.db2.gz CLIUZAOOGKGBFW-LLVKDONJSA-N 1 2 342.380 3.333 20 5 EGBDLO CCOC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600201783 460436104 /nfs/dbraw/zinc/43/61/04/460436104.db2.gz WXUMJXACOBVIPI-OAHLLOKOSA-N 1 2 346.383 3.092 20 5 EGBDLO CCOC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600201783 460436112 /nfs/dbraw/zinc/43/61/12/460436112.db2.gz WXUMJXACOBVIPI-OAHLLOKOSA-N 1 2 346.383 3.092 20 5 EGBDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000616132505 460479457 /nfs/dbraw/zinc/47/94/57/460479457.db2.gz MIYBPKGTSCKAEA-CQSZACIVSA-N 1 2 329.375 3.445 20 5 EGBDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000616132505 460479465 /nfs/dbraw/zinc/47/94/65/460479465.db2.gz MIYBPKGTSCKAEA-CQSZACIVSA-N 1 2 329.375 3.445 20 5 EGBDLO O=[N+]([O-])c1cc(-c2nc(-c3ccc(O)cc3)no2)ccc1-n1cc[nH+]c1 ZINC000731790047 575207833 /nfs/dbraw/zinc/20/78/33/575207833.db2.gz JMMHEWKMMKIKIK-UHFFFAOYSA-N 1 2 349.306 3.203 20 5 EGBDLO C[C@@H]1CCC[C@H](C)[N@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000742154522 576222648 /nfs/dbraw/zinc/22/26/48/576222648.db2.gz KVLNOIXEZQOAMT-ZJUUUORDSA-N 1 2 331.214 3.022 20 5 EGBDLO C[C@@H]1CCC[C@H](C)[N@@H+](Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000742154522 576222649 /nfs/dbraw/zinc/22/26/49/576222649.db2.gz KVLNOIXEZQOAMT-ZJUUUORDSA-N 1 2 331.214 3.022 20 5 EGBDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000749287843 1299187367 /nfs/dbraw/zinc/18/73/67/1299187367.db2.gz QMBBXVDEDIFVJV-UHFFFAOYSA-N 1 2 333.766 3.414 20 5 EGBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000749287843 1299187371 /nfs/dbraw/zinc/18/73/71/1299187371.db2.gz QMBBXVDEDIFVJV-UHFFFAOYSA-N 1 2 333.766 3.414 20 5 EGBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCC1(F)F ZINC000878625537 1300114895 /nfs/dbraw/zinc/11/48/95/1300114895.db2.gz WOLQEFHACJPHSQ-JTQLQIEISA-N 1 2 338.314 3.122 20 5 EGBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCC1(F)F ZINC000878625537 1300114899 /nfs/dbraw/zinc/11/48/99/1300114899.db2.gz WOLQEFHACJPHSQ-JTQLQIEISA-N 1 2 338.314 3.122 20 5 EGBDLO O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000754494741 1300152984 /nfs/dbraw/zinc/15/29/84/1300152984.db2.gz ZVWZAMFFDMZEKR-UHFFFAOYSA-N 1 2 329.337 3.199 20 5 EGBDLO C[C@@H](C(=O)OCc1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000764044226 1302004521 /nfs/dbraw/zinc/00/45/21/1302004521.db2.gz NGIALYFIPSXZPC-GFCCVEGCSA-N 1 2 325.324 3.089 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000769245030 1303080709 /nfs/dbraw/zinc/08/07/09/1303080709.db2.gz PWCNECTXVCNTLV-OALUTQOASA-N 1 2 342.395 3.389 20 5 EGBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000769245030 1303080713 /nfs/dbraw/zinc/08/07/13/1303080713.db2.gz PWCNECTXVCNTLV-OALUTQOASA-N 1 2 342.395 3.389 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000886075742 1303348154 /nfs/dbraw/zinc/34/81/54/1303348154.db2.gz GXUHGAOUEGOVGB-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO O=[N+]([O-])c1ncccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000886075742 1303348158 /nfs/dbraw/zinc/34/81/58/1303348158.db2.gz GXUHGAOUEGOVGB-UHFFFAOYSA-N 1 2 335.791 3.028 20 5 EGBDLO C[C@H]1SCC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]1C ZINC000774634317 1303837673 /nfs/dbraw/zinc/83/76/73/1303837673.db2.gz DLSQDKAHQFWGEX-NXEZZACHSA-N 1 2 340.836 3.381 20 5 EGBDLO C[C@H]1SCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)[C@@H]1C ZINC000774634317 1303837682 /nfs/dbraw/zinc/83/76/82/1303837682.db2.gz DLSQDKAHQFWGEX-NXEZZACHSA-N 1 2 340.836 3.381 20 5 EGBDLO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000775650208 1304003290 /nfs/dbraw/zinc/00/32/90/1304003290.db2.gz PCOJQRIMLRSORX-AWEZNQCLSA-N 1 2 337.383 3.085 20 5 EGBDLO COc1c(O)ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000894448683 1308894994 /nfs/dbraw/zinc/89/49/94/1308894994.db2.gz FAETVFCTOXHMCN-AWEZNQCLSA-N 1 2 329.356 3.041 20 5 EGBDLO COc1c(O)ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000894448683 1308895008 /nfs/dbraw/zinc/89/50/08/1308895008.db2.gz FAETVFCTOXHMCN-AWEZNQCLSA-N 1 2 329.356 3.041 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895350872 1309294162 /nfs/dbraw/zinc/29/41/62/1309294162.db2.gz GQSMYDJRNIZETM-UHFFFAOYSA-N 1 2 333.779 3.119 20 5 EGBDLO CCC(=O)c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000795085241 1309664407 /nfs/dbraw/zinc/66/44/07/1309664407.db2.gz IAIUBQBSJOLCOB-CQSZACIVSA-N 1 2 328.372 3.226 20 5 EGBDLO CC(C)(C(=O)OCc1cccc2[nH+]ccn21)c1ccccc1[N+](=O)[O-] ZINC000796977210 1310119298 /nfs/dbraw/zinc/11/92/98/1310119298.db2.gz QTPODBFWMGPINX-UHFFFAOYSA-N 1 2 339.351 3.264 20 5 EGBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccs1 ZINC000813174399 1318510793 /nfs/dbraw/zinc/51/07/93/1318510793.db2.gz RJGQMTMNCIOBBT-AWEZNQCLSA-N 1 2 332.381 3.088 20 5 EGBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cccs1 ZINC000813174399 1318510801 /nfs/dbraw/zinc/51/08/01/1318510801.db2.gz RJGQMTMNCIOBBT-AWEZNQCLSA-N 1 2 332.381 3.088 20 5 EGBDLO CCn1nc(C)c(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000818347437 1319533280 /nfs/dbraw/zinc/53/32/80/1319533280.db2.gz ZTSYNRLVRIQRQW-OAHLLOKOSA-N 1 2 329.404 3.027 20 5 EGBDLO Cc1cc([N+](=O)[O-])c(C(=O)NCCCNc2cccc[nH+]2)cc1Cl ZINC000836708585 1320524505 /nfs/dbraw/zinc/52/45/05/1320524505.db2.gz WCYSHIAQHXAVSU-UHFFFAOYSA-N 1 2 348.790 3.184 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@H+](CC1(Br)CC1)C1CC1 ZINC000846833326 1321814029 /nfs/dbraw/zinc/81/40/29/1321814029.db2.gz YKXMFVUESAUJOC-UHFFFAOYSA-N 1 2 325.206 3.487 20 5 EGBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CC1(Br)CC1)C1CC1 ZINC000846833326 1321814035 /nfs/dbraw/zinc/81/40/35/1321814035.db2.gz YKXMFVUESAUJOC-UHFFFAOYSA-N 1 2 325.206 3.487 20 5 EGBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)cs1 ZINC000922983591 1322668776 /nfs/dbraw/zinc/66/87/76/1322668776.db2.gz AVAHIIKDVNSUOH-LBPRGKRZSA-N 1 2 346.330 3.498 20 5 EGBDLO C[N@H+](CC1=CCSC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000852747831 1323235505 /nfs/dbraw/zinc/23/55/05/1323235505.db2.gz YOOSHLYDKZLGJI-UHFFFAOYSA-N 1 2 343.246 3.462 20 5 EGBDLO C[N@@H+](CC1=CCSC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000852747831 1323235510 /nfs/dbraw/zinc/23/55/10/1323235510.db2.gz YOOSHLYDKZLGJI-UHFFFAOYSA-N 1 2 343.246 3.462 20 5 EGBDLO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000860044620 1329132738 /nfs/dbraw/zinc/13/27/38/1329132738.db2.gz LAUGQADDGRAZIV-RISCZKNCSA-N 1 2 348.790 3.168 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c(C(F)F)c1 ZINC000865401570 1329691900 /nfs/dbraw/zinc/69/19/00/1329691900.db2.gz COGNEQUHMPGJED-UHFFFAOYSA-N 1 2 334.326 3.254 20 5 EGBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(C(F)F)c1 ZINC000865419725 1329694714 /nfs/dbraw/zinc/69/47/14/1329694714.db2.gz YPYKHDMDFXONKN-UHFFFAOYSA-N 1 2 348.353 3.250 20 5 EGBDLO CN(C(=O)C(C)(C)C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001006327465 1336489588 /nfs/dbraw/zinc/48/95/88/1336489588.db2.gz SKEWOXMROUNKOA-UHFFFAOYSA-N 1 2 339.461 3.125 20 5 EGBDLO CCOC(=O)c1cc(Nc2cccn3cc[nH+]c23)cc([N+](=O)[O-])c1 ZINC001211367490 1372541498 /nfs/dbraw/zinc/54/14/98/1372541498.db2.gz MXSSMUYFLTWCRA-UHFFFAOYSA-N 1 2 326.312 3.163 20 5 EGBDLO O=[N+]([O-])c1cc(Cl)cnc1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001226131415 1375208870 /nfs/dbraw/zinc/20/88/70/1375208870.db2.gz JBXAMHHESLEQPP-AWEZNQCLSA-N 1 2 344.758 3.340 20 5 EGBDLO O=[N+]([O-])c1c(Cl)nccc1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001228057304 1375513794 /nfs/dbraw/zinc/51/37/94/1375513794.db2.gz NHSUVEQWBNXVDP-ZDUSSCGKSA-N 1 2 344.758 3.340 20 5 EGBDLO COC(=O)[C@@H]1C[C@@H](Oc2cccc3cc4ccccc4nc32)C[N@@H+]1C ZINC001228175242 1375524961 /nfs/dbraw/zinc/52/49/61/1375524961.db2.gz ALTCKKPKPUBLML-WBVHZDCISA-N 1 2 336.391 3.013 20 5 EGBDLO COC(=O)[C@@H]1C[C@@H](Oc2cccc3cc4ccccc4nc32)C[N@H+]1C ZINC001228175242 1375524962 /nfs/dbraw/zinc/52/49/62/1375524962.db2.gz ALTCKKPKPUBLML-WBVHZDCISA-N 1 2 336.391 3.013 20 5 EGBDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ncc([N+](=O)[O-])cc1Cl ZINC001156775457 1380632652 /nfs/dbraw/zinc/63/26/52/1380632652.db2.gz HTGWXCRTHBCASO-UHFFFAOYSA-N 1 2 343.774 3.465 20 5 EGBDLO Cc1cccn2c([C@H](C)Nc3nc(Cl)ncc3[N+](=O)[O-])c[nH+]c12 ZINC001160684089 1382170098 /nfs/dbraw/zinc/17/00/98/1382170098.db2.gz YRVQAOSHRPNQST-VIFPVBQESA-N 1 2 332.751 3.167 20 5 EGBDLO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)OC(C)(C)C ZINC001172897167 1384873929 /nfs/dbraw/zinc/87/39/29/1384873929.db2.gz XVOSRAFCSYUMMZ-SWLSCSKDSA-N 1 2 334.416 3.162 20 5 EGBDLO CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901183 1384874326 /nfs/dbraw/zinc/87/43/26/1384874326.db2.gz KLDFFJVRGYJOSY-XJKSGUPXSA-N 1 2 334.416 3.164 20 5 EGBDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174478343 1385112750 /nfs/dbraw/zinc/11/27/50/1385112750.db2.gz VTLNNPDEEISINR-UHFFFAOYSA-N 1 2 339.355 3.490 20 5 EGBDLO COc1c(O)ccc(C[NH2+]C(C)(C)c2nc(C)cs2)c1[N+](=O)[O-] ZINC001335463724 1390687189 /nfs/dbraw/zinc/68/71/89/1390687189.db2.gz BYOBIOCUGOZUAX-UHFFFAOYSA-N 1 2 337.401 3.099 20 5 EGBDLO