smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CC(=O)[O-])CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229541081 519195849 /nfs/dbraw/zinc/19/58/49/519195849.db2.gz QPJQITPIWIVUTG-UHFFFAOYSA-N -1 0 298.270 2.563 20 5 CFBDRM CCC1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000227882064 519841978 /nfs/dbraw/zinc/84/19/78/519841978.db2.gz LHLHQNJTOFCNRS-UHFFFAOYSA-N -1 0 278.308 2.611 20 5 CFBDRM O=C([O-])[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000426805865 534516670 /nfs/dbraw/zinc/51/66/70/534516670.db2.gz GNSPJIVKFDZRJQ-LBPRGKRZSA-N -1 0 292.316 2.572 20 5 CFBDRM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075162792 522018423 /nfs/dbraw/zinc/01/84/23/522018423.db2.gz XGQORFLZRYRCQJ-NXEZZACHSA-N -1 0 280.324 2.855 20 5 CFBDRM CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000157559823 523243597 /nfs/dbraw/zinc/24/35/97/523243597.db2.gz DGXKCHDRUSAZEJ-SNVBAGLBSA-N -1 0 278.308 2.563 20 5 CFBDRM Cc1ccnc(NCc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000070495526 525696858 /nfs/dbraw/zinc/69/68/58/525696858.db2.gz NXKWMABITCHXQT-UHFFFAOYSA-N -1 0 287.275 2.609 20 5 CFBDRM Cc1cnc(NCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000090691628 526092023 /nfs/dbraw/zinc/09/20/23/526092023.db2.gz YDTXRJWIBIRSFC-UHFFFAOYSA-N -1 0 287.275 2.609 20 5 CFBDRM Cn1c(C(=O)Nc2cccc(Cl)c2[O-])ccc1[N+](=O)[O-] ZINC000340313971 527044153 /nfs/dbraw/zinc/04/41/53/527044153.db2.gz DYBPUJDALMOMGO-UHFFFAOYSA-N -1 0 295.682 2.545 20 5 CFBDRM Cc1ncsc1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000361248314 527475589 /nfs/dbraw/zinc/47/55/89/527475589.db2.gz BGPOXJBFKFYMHQ-IHWYPQMZSA-N -1 0 291.288 2.623 20 5 CFBDRM CCOc1cc(N[C@@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044895 528330118 /nfs/dbraw/zinc/33/01/18/528330118.db2.gz TXYBFJOIWCOSIA-NSHDSACASA-N -1 0 296.323 2.905 20 5 CFBDRM CCc1occc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000435822662 535930017 /nfs/dbraw/zinc/93/00/17/535930017.db2.gz SLXMLRYFUMNSPP-UHFFFAOYSA-N -1 0 276.248 2.708 20 5 CFBDRM C[C@@H]1C[C@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736765112 574071006 /nfs/dbraw/zinc/07/10/06/574071006.db2.gz JLZWVPVLHGLEMR-QLNOWJJTSA-N -1 0 262.265 2.513 20 5 CFBDRM CN(C(=O)[O-])c1ccc(Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000737336770 574136724 /nfs/dbraw/zinc/13/67/24/574136724.db2.gz SXJHLEVHMUSYOU-UHFFFAOYSA-N -1 0 288.263 2.848 20 5 CFBDRM O=C(OCc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000733694457 574251348 /nfs/dbraw/zinc/25/13/48/574251348.db2.gz MFGZVPCTIGYYDG-UHFFFAOYSA-N -1 0 297.270 2.828 20 5 CFBDRM Cc1c(CS[C@H](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000090097392 600580516 /nfs/dbraw/zinc/58/05/16/600580516.db2.gz IGZOGVMKDVHFOF-MRVPVSSYSA-N -1 0 269.322 3.000 20 5 CFBDRM C[C@@H](CC(=O)[O-])SCc1ccccc1[N+](=O)[O-] ZINC000090097736 600592712 /nfs/dbraw/zinc/59/27/12/600592712.db2.gz WELWJORBQGVGBU-QMMMGPOBSA-N -1 0 255.295 2.691 20 5 CFBDRM C[C@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000086107483 600594974 /nfs/dbraw/zinc/59/49/74/600594974.db2.gz FHUIFZFHPLUMEQ-MRVPVSSYSA-N -1 0 255.295 2.549 20 5 CFBDRM O=C([O-])c1cc(NC(=O)CCC2CCC2)cc([N+](=O)[O-])c1 ZINC000833096771 601286587 /nfs/dbraw/zinc/28/65/87/601286587.db2.gz UYPQVOPNFHOJQO-UHFFFAOYSA-N -1 0 292.291 2.812 20 5 CFBDRM CCCCC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)C(=O)[O-] ZINC000829347218 601383021 /nfs/dbraw/zinc/38/30/21/601383021.db2.gz HWQSXVSKPKBSFO-JTQLQIEISA-N -1 0 281.312 2.744 20 5 CFBDRM Cc1nn(Cc2cc(C(=O)[O-])sc2C)c(C)c1[N+](=O)[O-] ZINC000122710201 601627289 /nfs/dbraw/zinc/62/72/89/601627289.db2.gz SBHJPIFMKNMDSX-UHFFFAOYSA-N -1 0 295.320 2.525 20 5 CFBDRM Cc1cc(NC[C@@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000740090791 601917269 /nfs/dbraw/zinc/91/72/69/601917269.db2.gz IVGQRFDKIYHMRZ-NSHDSACASA-N -1 0 293.323 2.705 20 5 CFBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC2CC2)cc1Cl ZINC000833306879 602249869 /nfs/dbraw/zinc/24/98/69/602249869.db2.gz FSKMIVVZUCYYJH-UHFFFAOYSA-N -1 0 256.645 2.521 20 5 CFBDRM Cc1cc(NC2CCC(NC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000740091072 603083344 /nfs/dbraw/zinc/08/33/44/603083344.db2.gz KNNKUKRKHHTBAU-UHFFFAOYSA-N -1 0 293.323 2.894 20 5 CFBDRM Cc1cc([C@H](C)Oc2cccnc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000832873714 604701520 /nfs/dbraw/zinc/70/15/20/604701520.db2.gz LQVPTWDFTRMJJG-QMMMGPOBSA-N -1 0 292.247 2.729 20 5 CFBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000061609685 604804369 /nfs/dbraw/zinc/80/43/69/604804369.db2.gz VDQBMGWLEQNHDK-AWEZNQCLSA-N -1 0 286.287 2.875 20 5 CFBDRM Cc1ccc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])nc1 ZINC000832935041 605010398 /nfs/dbraw/zinc/01/03/98/605010398.db2.gz VXTXTQQMDOWBJE-UHFFFAOYSA-N -1 0 288.259 2.575 20 5 CFBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000833812374 605991249 /nfs/dbraw/zinc/99/12/49/605991249.db2.gz JBQAPTPKGCDUII-RKDXNWHRSA-N -1 0 299.352 2.529 20 5 CFBDRM Cc1cc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000900965233 620738258 /nfs/dbraw/zinc/73/82/58/620738258.db2.gz MANBLXJGYTVYSE-CBAPKCEASA-N -1 0 284.337 2.512 20 5 CFBDRM CC(C)(C)n1cc(-c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000901070302 620746731 /nfs/dbraw/zinc/74/67/31/620746731.db2.gz MKDWQRIDFJLBLQ-UHFFFAOYSA-N -1 0 289.291 2.912 20 5 CFBDRM CC[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)CC(F)F ZINC000845758816 618063292 /nfs/dbraw/zinc/06/32/92/618063292.db2.gz MXFDQNRMRMUMSN-SSDOTTSWSA-N -1 0 276.239 2.761 20 5 CFBDRM C[C@H](CN(C)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000235486104 618349095 /nfs/dbraw/zinc/34/90/95/618349095.db2.gz BFGMZWUBFPKBAG-ZCFIWIBFSA-N -1 0 290.678 2.544 20 5 CFBDRM CC(C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000013276568 618619890 /nfs/dbraw/zinc/61/98/90/618619890.db2.gz ZZRPHJRCCYUISU-GQCTYLIASA-N -1 0 250.254 2.513 20 5 CFBDRM CCCCCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000311892835 618728067 /nfs/dbraw/zinc/72/80/67/618728067.db2.gz YPWGWHDWXUAWDU-UHFFFAOYSA-N -1 0 267.285 2.680 20 5 CFBDRM CCN(CC1CC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000070533695 625342549 /nfs/dbraw/zinc/34/25/49/625342549.db2.gz OFFGOGIVIVBLAJ-UHFFFAOYSA-N -1 0 264.281 2.529 20 5 CFBDRM C[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000910335842 622432443 /nfs/dbraw/zinc/43/24/43/622432443.db2.gz ZLJDCFSWBWYHTH-SCZZXKLOSA-N -1 0 296.348 2.989 20 5 CFBDRM Cc1cc(N(C)[C@H]2CCSC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910344525 622433556 /nfs/dbraw/zinc/43/35/56/622433556.db2.gz OSCIZENBTLNDJE-VIFPVBQESA-N -1 0 296.348 2.543 20 5 CFBDRM CC[C@H]1C[C@H](C)CN1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910357497 622434765 /nfs/dbraw/zinc/43/47/65/622434765.db2.gz VBRACCJBESUMCM-WPRPVWTQSA-N -1 0 293.323 2.621 20 5 CFBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000910356622 622434832 /nfs/dbraw/zinc/43/48/32/622434832.db2.gz VDLZRSXPJCCIOU-KMOQFTEPSA-N -1 0 274.276 2.657 20 5 CFBDRM CCC[C@H](CNc1sccc1[N+](=O)[O-])C(=O)[O-] ZINC000910466773 622448479 /nfs/dbraw/zinc/44/84/79/622448479.db2.gz YSVLWDQHGYCMSF-SSDOTTSWSA-N -1 0 258.299 2.569 20 5 CFBDRM CC(C)C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000232628036 623431424 /nfs/dbraw/zinc/43/14/24/623431424.db2.gz QUGQXJJXJWLFRJ-VIFPVBQESA-N -1 0 287.703 2.554 20 5 CFBDRM CCCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837336584 624098412 /nfs/dbraw/zinc/09/84/12/624098412.db2.gz JXALGKZTOGRNER-UHFFFAOYSA-N -1 0 253.254 2.534 20 5 CFBDRM CCCOc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000916854051 624288511 /nfs/dbraw/zinc/28/85/11/624288511.db2.gz WQUFKPBYLYYAEC-UHFFFAOYSA-N -1 0 290.275 2.931 20 5 CFBDRM C[C@@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H]1C ZINC000770993620 625963439 /nfs/dbraw/zinc/96/34/39/625963439.db2.gz HDXCOXMCLYKNHA-OPRDCNLKSA-N -1 0 266.297 2.904 20 5 CFBDRM CC/C(C)=C/C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000838044807 626484664 /nfs/dbraw/zinc/48/46/64/626484664.db2.gz QZJTXMCAVRUZEO-RMKNXTFCSA-N -1 0 265.265 2.700 20 5 CFBDRM CCC[C@@H](C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000778752067 628329819 /nfs/dbraw/zinc/32/98/19/628329819.db2.gz OCXNLZUHPBXINP-BDAKNGLRSA-N -1 0 254.286 2.904 20 5 CFBDRM C[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)[C@H]1C ZINC000779274647 628368492 /nfs/dbraw/zinc/36/84/92/628368492.db2.gz QOSZIWBDZNQKGV-YWVKMMECSA-N -1 0 266.297 2.904 20 5 CFBDRM Cc1cc(F)ccc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000785151363 628868777 /nfs/dbraw/zinc/86/87/77/628868777.db2.gz PFFOZXBOYGANQI-UHFFFAOYSA-N -1 0 278.239 2.727 20 5 CFBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC12CCCC2 ZINC000837557683 631066027 /nfs/dbraw/zinc/06/60/27/631066027.db2.gz PGGVBFPRKUKHGT-LBPRGKRZSA-N -1 0 291.303 2.924 20 5 CFBDRM CCC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000837562433 631067405 /nfs/dbraw/zinc/06/74/05/631067405.db2.gz OXKZCWXXUBXZAZ-UHFFFAOYSA-N -1 0 265.265 2.534 20 5 CFBDRM CC1(C)CC(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000837724769 631116466 /nfs/dbraw/zinc/11/64/66/631116466.db2.gz ZRODIYRMPJCRLE-UHFFFAOYSA-N -1 0 279.292 2.780 20 5 CFBDRM C[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C(C)(F)F ZINC000837747514 631122567 /nfs/dbraw/zinc/12/25/67/631122567.db2.gz DMQRCVMQZGGZCR-ZETCQYMHSA-N -1 0 289.234 2.635 20 5 CFBDRM O=C([O-])Cc1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000844206937 632134488 /nfs/dbraw/zinc/13/44/88/632134488.db2.gz PKKISBBBQXATEZ-UHFFFAOYSA-N -1 0 278.308 2.602 20 5 CFBDRM CC[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])OC ZINC000844210530 632135590 /nfs/dbraw/zinc/13/55/90/632135590.db2.gz CDZKVRAGTHWESW-JPVGGKMYSA-N -1 0 294.307 2.530 20 5 CFBDRM C[C@@]1(F)CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844217249 632136666 /nfs/dbraw/zinc/13/66/66/632136666.db2.gz JYPBQBICSQKUOJ-CQSZACIVSA-N -1 0 296.298 2.550 20 5 CFBDRM CC1(C)CC[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000850068783 633819973 /nfs/dbraw/zinc/81/99/73/633819973.db2.gz IZLVQPMBYYEPOL-NSHDSACASA-N -1 0 279.292 2.780 20 5 CFBDRM CCOc1cccc(N[C@@H]2CC=C(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000863479962 637674356 /nfs/dbraw/zinc/67/43/56/637674356.db2.gz FOPMFCXMFBYSOU-SNVBAGLBSA-N -1 0 292.291 2.579 20 5 CFBDRM O=C([O-])C[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000122549132 639192968 /nfs/dbraw/zinc/19/29/68/639192968.db2.gz JVPMYJAQCRWOPO-VIFPVBQESA-N -1 0 298.726 2.939 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000094659022 650960896 /nfs/dbraw/zinc/96/08/96/650960896.db2.gz LWTUQCMHLSDTQM-LLVKDONJSA-N -1 0 278.308 2.737 20 5 CFBDRM O=C1Nc2ccccc2/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000129511490 645241903 /nfs/dbraw/zinc/24/19/03/645241903.db2.gz ACPZZFDBBLYIOU-XFFZJAGNSA-N -1 0 282.255 2.793 20 5 CFBDRM CC(C)OCCON=c1[n-]cc([N+](=O)[O-])c2ccccc21 ZINC000884512233 646409998 /nfs/dbraw/zinc/40/99/98/646409998.db2.gz AVMQUUJYLKXFBZ-UHFFFAOYSA-N -1 0 291.307 2.912 20 5 CFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H]1C1CCCC1 ZINC000889404958 647562373 /nfs/dbraw/zinc/56/23/73/647562373.db2.gz FYHBZDLQBHJQON-CYBMUJFWSA-N -1 0 290.319 2.705 20 5 CFBDRM O=C(NC[C@]12C[C@H]1CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000927457665 648782897 /nfs/dbraw/zinc/78/28/97/648782897.db2.gz YDIUAKYFCWRYPC-ABAIWWIYSA-N -1 0 290.319 2.611 20 5 CFBDRM O=C([O-])[C@H]1C[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000693000144 770048988 /nfs/dbraw/zinc/04/89/88/770048988.db2.gz BCPDZFGMZMOHBR-ZKCHVHJHSA-N -1 0 286.234 2.808 20 5 CFBDRM O=C([O-])[C@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000693032415 770124368 /nfs/dbraw/zinc/12/43/68/770124368.db2.gz DQVCKHQYRJHHDK-FKQCQYRASA-N -1 0 270.672 2.523 20 5 CFBDRM O=C([O-])[C@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000693032797 770124807 /nfs/dbraw/zinc/12/48/07/770124807.db2.gz GUMOCUQFXFCBKJ-FKQCQYRASA-N -1 0 270.672 2.523 20 5 CFBDRM COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H](C)C1=CC=C[CH]1 ZINC001225450751 775460922 /nfs/dbraw/zinc/46/09/22/775460922.db2.gz KTPOPHKIYNAVAH-SNVBAGLBSA-N -1 0 288.279 2.849 20 5 CFBDRM CCC[C@@H](CC(=O)OCC)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225491214 775478171 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O=[N+]([O-])c1c([O-])cccc1O[C@@H]1CC(F)(F)C1(F)F ZINC001225626759 775530167 /nfs/dbraw/zinc/53/01/67/775530167.db2.gz VGEVEWVOZSXGHW-SSDOTTSWSA-N -1 0 281.161 2.722 20 5 CFBDRM Cc1ccc([C@@H](C)Oc2[n-]c(=O)ncc2[N+](=O)[O-])cc1 ZINC001226330846 775781425 /nfs/dbraw/zinc/78/14/25/775781425.db2.gz DSLAUDJBKNFNTF-SECBINFHSA-N -1 0 275.264 2.539 20 5 CFBDRM CC(C)C1CCC(Oc2nc(=O)[n-]cc2[N+](=O)[O-])CC1 ZINC001226333142 775782783 /nfs/dbraw/zinc/78/27/83/775782783.db2.gz YXGQROXUXKZNOJ-UHFFFAOYSA-N -1 0 281.312 2.684 20 5 CFBDRM COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H](C)C1=CC=C[CH]1 ZINC001227124799 776108218 /nfs/dbraw/zinc/10/82/18/776108218.db2.gz PMACTNFSBBYCJK-JTQLQIEISA-N -1 0 288.279 2.849 20 5 CFBDRM Cc1nnc(=S)[n-]c1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001227599283 776237660 /nfs/dbraw/zinc/23/76/60/776237660.db2.gz XRLFTZINZHERIM-MRVPVSSYSA-N -1 0 292.320 2.517 20 5 CFBDRM Cc1nc(OC2CCC(C)(C)CC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229375633 776793288 /nfs/dbraw/zinc/79/32/88/776793288.db2.gz 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CC/C(C)=C/C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000297373728 200167020 /nfs/dbraw/zinc/16/70/20/200167020.db2.gz CYHXZYQELDAWFE-SOFGYWHQSA-N -1 0 250.254 2.595 20 5 CFBDRM C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179461360 189195526 /nfs/dbraw/zinc/19/55/26/189195526.db2.gz CEMPEKCWWKYRRO-SNVBAGLBSA-N -1 0 278.308 2.563 20 5 CFBDRM CC[C@]1(C)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180773216 189274388 /nfs/dbraw/zinc/27/43/88/189274388.db2.gz LXUQQRPBNPPNJM-TVQRCGJNSA-N -1 0 264.281 2.675 20 5 CFBDRM CC[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180787394 189275632 /nfs/dbraw/zinc/27/56/32/189275632.db2.gz OIVASNODCPFQNY-LURJTMIESA-N -1 0 272.688 2.938 20 5 CFBDRM CC(C)CCn1ccc([N-]c2ncccc2[N+](=O)[O-])n1 ZINC000302007085 201295356 /nfs/dbraw/zinc/29/53/56/201295356.db2.gz AQXPUTOODDJLER-UHFFFAOYSA-N -1 0 275.312 2.976 20 5 CFBDRM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432622203 240025782 /nfs/dbraw/zinc/02/57/82/240025782.db2.gz MTVJQRPLPHNKPK-SNVBAGLBSA-N -1 0 290.319 2.705 20 5 CFBDRM Cc1cscc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436816550 240505406 /nfs/dbraw/zinc/50/54/06/240505406.db2.gz OXQDJAUGDWQRQC-UHFFFAOYSA-N -1 0 292.316 2.600 20 5 CFBDRM CCN(CC1CCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436921340 240520586 /nfs/dbraw/zinc/52/05/86/240520586.db2.gz JJDXVLZIBJANKZ-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CC(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000444519493 241146049 /nfs/dbraw/zinc/14/60/49/241146049.db2.gz MCEOGBUSOQLARU-LLVKDONJSA-N -1 0 292.335 2.809 20 5 CFBDRM Cc1ccnc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC000445196159 241209525 /nfs/dbraw/zinc/20/95/25/241209525.db2.gz WNGQODRAQXBARY-UHFFFAOYSA-N -1 0 298.258 2.721 20 5 CFBDRM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000330773279 203217536 /nfs/dbraw/zinc/21/75/36/203217536.db2.gz FHBMCZLRTAJZSX-KOLCDFICSA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000456797118 244291440 /nfs/dbraw/zinc/29/14/40/244291440.db2.gz IHYZBMRWFMAQBN-WDEREUQCSA-N -1 0 292.335 2.951 20 5 CFBDRM CC(C)Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000276601240 193395533 /nfs/dbraw/zinc/39/55/33/193395533.db2.gz ICGNYFDPMOQASE-UHFFFAOYSA-N -1 0 263.253 2.549 20 5 CFBDRM C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000013179508 372020374 /nfs/dbraw/zinc/02/03/74/372020374.db2.gz PJZSXWIWXCGMCT-NXEZZACHSA-N -1 0 278.308 2.775 20 5 CFBDRM O=C([O-])c1cc(NCCc2ccco2)ccc1[N+](=O)[O-] ZINC000042295106 372900391 /nfs/dbraw/zinc/90/03/91/372900391.db2.gz GKCQNGWBCVESMN-UHFFFAOYSA-N -1 0 276.248 2.541 20 5 CFBDRM O=C([O-])c1cc(NC(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000042337115 372908133 /nfs/dbraw/zinc/90/81/33/372908133.db2.gz PMVUGPWAOTXQSZ-UHFFFAOYSA-N -1 0 276.292 2.894 20 5 CFBDRM CCc1cnc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000075182059 374466791 /nfs/dbraw/zinc/46/67/91/374466791.db2.gz KIBLEGMZQDCFKU-UHFFFAOYSA-N -1 0 293.304 2.572 20 5 CFBDRM CC(C)C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000094703298 375374913 /nfs/dbraw/zinc/37/49/13/375374913.db2.gz GCHYOBLWWIZRDF-VIFPVBQESA-N -1 0 284.287 2.893 20 5 CFBDRM C[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC000119041526 376340599 /nfs/dbraw/zinc/34/05/99/376340599.db2.gz XCUPRNLUBNFFGE-NXEZZACHSA-N -1 0 278.308 2.561 20 5 CFBDRM Cc1cc(C)nc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000153867409 378518789 /nfs/dbraw/zinc/51/87/89/378518789.db2.gz CCFXMPHEVRXRJO-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000331230698 378653129 /nfs/dbraw/zinc/65/31/29/378653129.db2.gz HXQGVRUYXKUBGG-LLVKDONJSA-N -1 0 290.319 2.729 20 5 CFBDRM Cc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163961224 378998688 /nfs/dbraw/zinc/99/86/88/378998688.db2.gz PXMHXYVIHQENMM-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM C[C@H]1Cc2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179405998 380539666 /nfs/dbraw/zinc/53/96/66/380539666.db2.gz JDUDEWINSVZGFP-JTQLQIEISA-N -1 0 298.298 2.892 20 5 CFBDRM CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000182026113 380966367 /nfs/dbraw/zinc/96/63/67/380966367.db2.gz VGVDXUWTJLRXRI-NSHDSACASA-N -1 0 292.335 2.953 20 5 CFBDRM CC[C@@]1(C)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182061273 380977422 /nfs/dbraw/zinc/97/74/22/380977422.db2.gz DJLPUBLRJYRAHS-HNNXBMFYSA-N -1 0 292.335 2.953 20 5 CFBDRM O=C(Nc1cccc2c1OCCC2)c1ccc([N+](=O)[O-])[nH]1 ZINC000341462348 381027030 /nfs/dbraw/zinc/02/70/30/381027030.db2.gz OBZRYXTWAAVTBB-UHFFFAOYSA-N -1 0 287.275 2.500 20 5 CFBDRM O=C([O-])c1ccnc(/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000347423369 381141660 /nfs/dbraw/zinc/14/16/60/381141660.db2.gz XQNCAGMBCBSFEC-AATRIKPKSA-N -1 0 270.244 2.858 20 5 CFBDRM C[C@H]1CC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000182815553 381164425 /nfs/dbraw/zinc/16/44/25/381164425.db2.gz HJUDWGQOYBWGMH-NXEZZACHSA-N -1 0 292.335 2.855 20 5 CFBDRM C[C@H](CCC1CC1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354770244 381445528 /nfs/dbraw/zinc/44/55/28/381445528.db2.gz NBAADECHFUVMDL-SECBINFHSA-N -1 0 278.308 2.609 20 5 CFBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC(C)(C)C1 ZINC000412806245 381453681 /nfs/dbraw/zinc/45/36/81/381453681.db2.gz BQFNQCUBZOFNLL-UHFFFAOYSA-N -1 0 292.335 2.951 20 5 CFBDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000412816403 381460512 /nfs/dbraw/zinc/46/05/12/381460512.db2.gz XSTJSWJAIMUVLG-UHFFFAOYSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185154474 381546901 /nfs/dbraw/zinc/54/69/01/381546901.db2.gz PGTJPDXSPNFMCM-NXEZZACHSA-N -1 0 278.308 2.704 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H]1C1CCC1 ZINC000185067282 381528461 /nfs/dbraw/zinc/52/84/61/381528461.db2.gz PPGJHTBNMQPWHR-ZDUSSCGKSA-N -1 0 290.319 2.705 20 5 CFBDRM CCCc1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2C)s1 ZINC000351977277 382100794 /nfs/dbraw/zinc/10/07/94/382100794.db2.gz VQHVWACEISDHLW-UHFFFAOYSA-N -1 0 292.364 2.741 20 5 CFBDRM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000187421348 382179777 /nfs/dbraw/zinc/17/97/77/382179777.db2.gz GYNZDLKJIKHVBK-KOLCDFICSA-N -1 0 278.308 2.561 20 5 CFBDRM CC(C)[C@H]1N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1(C)C ZINC000294015292 382378184 /nfs/dbraw/zinc/37/81/84/382378184.db2.gz SVPNYMGFPPKNHW-CYBMUJFWSA-N -1 0 292.335 2.807 20 5 CFBDRM CC(C)(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000384910213 382563205 /nfs/dbraw/zinc/56/32/05/382563205.db2.gz DEFSBSDTFZODMD-UHFFFAOYSA-N -1 0 292.335 2.857 20 5 CFBDRM CC[C@@H]1CCC[C@@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000388687240 382608174 /nfs/dbraw/zinc/60/81/74/382608174.db2.gz JXVAGUBHHVXDFN-SCZZXKLOSA-N -1 0 279.296 2.679 20 5 CFBDRM O=C(NOC1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000224063914 382808944 /nfs/dbraw/zinc/80/89/44/382808944.db2.gz GJZBPWNUFZQNGY-UHFFFAOYSA-N -1 0 284.699 2.852 20 5 CFBDRM CC[C@@H](Sc1ccc([N+](=O)[O-])cc1C(C)=O)C(=O)[O-] ZINC000576707632 382833341 /nfs/dbraw/zinc/83/33/41/382833341.db2.gz WATWIHLRAWDRBP-SNVBAGLBSA-N -1 0 283.305 2.753 20 5 CFBDRM CCC[C@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)OC ZINC000578239784 382904035 /nfs/dbraw/zinc/90/40/35/382904035.db2.gz SJLIIBDTDJEEJM-LLVKDONJSA-N -1 0 296.323 2.828 20 5 CFBDRM C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000579591876 383032120 /nfs/dbraw/zinc/03/21/20/383032120.db2.gz RNJYDFASOSVMQL-SUNKGSAMSA-N -1 0 292.335 2.698 20 5 CFBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000457678426 383069785 /nfs/dbraw/zinc/06/97/85/383069785.db2.gz UHXCZABUGKZWMR-QMMMGPOBSA-N -1 0 264.281 2.675 20 5 CFBDRM O=C(NC1(C2CCC2)CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458243625 383140110 /nfs/dbraw/zinc/14/01/10/383140110.db2.gz VEGFTOIRXVRJGL-UHFFFAOYSA-N -1 0 290.319 2.753 20 5 CFBDRM Cc1csc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000339083894 383143555 /nfs/dbraw/zinc/14/35/55/383143555.db2.gz CAZUENTUAJGLNN-VIFPVBQESA-N -1 0 293.348 2.916 20 5 CFBDRM Cc1cc(NC[C@@H]2CCSC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566622131 383194797 /nfs/dbraw/zinc/19/47/97/383194797.db2.gz QKVTWHBOGGWBJB-VIFPVBQESA-N -1 0 296.348 2.766 20 5 CFBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000425038702 383314425 /nfs/dbraw/zinc/31/44/25/383314425.db2.gz YPDXMQCVUZCMCY-NXEZZACHSA-N -1 0 278.308 2.561 20 5 CFBDRM Cc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000340257324 383393627 /nfs/dbraw/zinc/39/36/27/383393627.db2.gz VANDTOGWKCNFAA-UHFFFAOYSA-N -1 0 267.266 2.513 20 5 CFBDRM CC(C)c1noc(=N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000450561073 383462673 /nfs/dbraw/zinc/46/26/73/383462673.db2.gz ZHWWOCFNVLXDAD-VIFPVBQESA-N -1 0 276.296 2.696 20 5 CFBDRM Cc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000436605423 383852799 /nfs/dbraw/zinc/85/27/99/383852799.db2.gz PHIATWUGHSGMPF-UHFFFAOYSA-N -1 0 298.298 2.765 20 5 CFBDRM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436667832 383868349 /nfs/dbraw/zinc/86/83/49/383868349.db2.gz ZLFRMNPANFEODW-OCCSQVGLSA-N -1 0 298.298 2.586 20 5 CFBDRM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280702492 296356663 /nfs/dbraw/zinc/35/66/63/296356663.db2.gz FTERTAFPHNFBBS-MWLCHTKSSA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000352291506 220301669 /nfs/dbraw/zinc/30/16/69/220301669.db2.gz BFFDBWRDLMLDKB-SCVCMEIPSA-N -1 0 292.335 2.855 20 5 CFBDRM C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC000182045657 296379871 /nfs/dbraw/zinc/37/98/71/296379871.db2.gz OCZCCJNHHOAVIL-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM CC(C)[C@H](C)N(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000269285420 384744212 /nfs/dbraw/zinc/74/42/12/384744212.db2.gz NGBPJHXOASZAHU-JTQLQIEISA-N -1 0 292.335 2.950 20 5 CFBDRM C[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000272460264 385542568 /nfs/dbraw/zinc/54/25/68/385542568.db2.gz CDYXVAVXKQONCK-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272542681 385561611 /nfs/dbraw/zinc/56/16/11/385561611.db2.gz OEMFYJUIQWSBLH-NSHDSACASA-N -1 0 292.335 2.953 20 5 CFBDRM Cc1cnc([N-]c2cc3n(n2)CCCC3)c([N+](=O)[O-])c1 ZINC000286376663 385603215 /nfs/dbraw/zinc/60/32/15/385603215.db2.gz LTJHTOUCFCRNJO-UHFFFAOYSA-N -1 0 273.296 2.575 20 5 CFBDRM C[C@H](N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1(C)CC1 ZINC000272669422 385585520 /nfs/dbraw/zinc/58/55/20/385585520.db2.gz KDIMSDYCWKLMDU-VIFPVBQESA-N -1 0 278.308 2.561 20 5 CFBDRM CC(C)C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272697738 385590775 /nfs/dbraw/zinc/59/07/75/385590775.db2.gz SGSBNWTYSYAASU-NSHDSACASA-N -1 0 292.335 2.809 20 5 CFBDRM CC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000274658283 385843262 /nfs/dbraw/zinc/84/32/62/385843262.db2.gz UTSWVRANSJUSRY-UHFFFAOYSA-N -1 0 278.308 2.753 20 5 CFBDRM Cc1ccsc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000356672107 130395345 /nfs/dbraw/zinc/39/53/45/130395345.db2.gz AAXCTKJVXZBFSS-UHFFFAOYSA-N -1 0 298.345 2.766 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccoc1Cl ZINC000192440089 393623556 /nfs/dbraw/zinc/62/35/56/393623556.db2.gz IRZWRKBHNLTYKB-UHFFFAOYSA-N -1 0 282.639 2.799 20 5 CFBDRM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000228071445 393773765 /nfs/dbraw/zinc/77/37/65/393773765.db2.gz RUECXMXTXWUOHG-KOLCDFICSA-N -1 0 278.308 2.609 20 5 CFBDRM CCc1cnccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546279 393788760 /nfs/dbraw/zinc/78/87/60/393788760.db2.gz GDIBQSAOGIINRD-UHFFFAOYSA-N -1 0 287.275 2.510 20 5 CFBDRM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000458196899 393869214 /nfs/dbraw/zinc/86/92/14/393869214.db2.gz YYJIIRAYMDIAOG-UHFFFAOYSA-N -1 0 278.308 2.561 20 5 CFBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1)CCCCC2 ZINC000109522570 393878819 /nfs/dbraw/zinc/87/88/19/393878819.db2.gz NNNWSBYLBSRTRW-LBPRGKRZSA-N -1 0 273.292 2.878 20 5 CFBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1)CCCCC2 ZINC000109522568 393878865 /nfs/dbraw/zinc/87/88/65/393878865.db2.gz NNNWSBYLBSRTRW-GFCCVEGCSA-N -1 0 273.292 2.878 20 5 CFBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000119032373 393912250 /nfs/dbraw/zinc/91/22/50/393912250.db2.gz NISVNLZNPVEJRH-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@H](CCC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436819969 394024714 /nfs/dbraw/zinc/02/47/14/394024714.db2.gz FQCQHCIKNSGCHP-SECBINFHSA-N -1 0 278.308 2.609 20 5 CFBDRM CN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436949764 394037616 /nfs/dbraw/zinc/03/76/16/394037616.db2.gz AZYABCZHEMQVJX-UHFFFAOYSA-N -1 0 292.316 2.634 20 5 CFBDRM O=C(NC/C=C\c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436966952 394039802 /nfs/dbraw/zinc/03/98/02/394039802.db2.gz RRDRKQMBWNXAFZ-DAXSKMNVSA-N -1 0 298.298 2.744 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CC1CC1)CC1CC1 ZINC000436997672 394042045 /nfs/dbraw/zinc/04/20/45/394042045.db2.gz GWWALXIAXPJXPC-UHFFFAOYSA-N -1 0 290.319 2.563 20 5 CFBDRM COc1cc(/C=C(\C)c2cnccn2)cc([N+](=O)[O-])c1[O-] ZINC000436923898 394035111 /nfs/dbraw/zinc/03/51/11/394035111.db2.gz VIQPBDGGTBTWHH-WEVVVXLNSA-N -1 0 287.275 2.660 20 5 CFBDRM C[C@@H](CCC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436937377 394035978 /nfs/dbraw/zinc/03/59/78/394035978.db2.gz IEIOCLHEULKJMN-VIFPVBQESA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@@H](N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000542809656 394714438 /nfs/dbraw/zinc/71/44/38/394714438.db2.gz POGSGNKQPUIDGM-SECBINFHSA-N -1 0 280.324 2.807 20 5 CFBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000119032270 296540562 /nfs/dbraw/zinc/54/05/62/296540562.db2.gz NISVNLZNPVEJRH-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCS1 ZINC000228835312 397624809 /nfs/dbraw/zinc/62/48/09/397624809.db2.gz BIVCBIKSDFGIKH-LLVKDONJSA-N -1 0 282.321 2.525 20 5 CFBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)n1C ZINC000356290600 155211264 /nfs/dbraw/zinc/21/12/64/155211264.db2.gz GERNZWUBAQGTAY-UHFFFAOYSA-N -1 0 289.291 2.508 20 5 CFBDRM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356383689 155248940 /nfs/dbraw/zinc/24/89/40/155248940.db2.gz CBVQXXLSVAWEAQ-LSDHHAIUSA-N -1 0 298.298 2.586 20 5 CFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@H]2CCCCC[C@@H]21 ZINC000375839257 157293177 /nfs/dbraw/zinc/29/31/77/157293177.db2.gz HXQDNVMQZVKWJU-MFKMUULPSA-N -1 0 290.319 2.705 20 5 CFBDRM CC(C)(C)C(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000350831107 163109300 /nfs/dbraw/zinc/10/93/00/163109300.db2.gz CSDKVCJNYKELOY-UHFFFAOYSA-N -1 0 280.324 2.855 20 5 CFBDRM CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000186627765 287051416 /nfs/dbraw/zinc/05/14/16/287051416.db2.gz VRWXKYOTGHESOA-LLVKDONJSA-N -1 0 292.335 2.953 20 5 CFBDRM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000456819038 287110341 /nfs/dbraw/zinc/11/03/41/287110341.db2.gz LYHWUORBJOWXJE-WDEREUQCSA-N -1 0 292.335 2.951 20 5 CFBDRM CC[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000035410942 172182102 /nfs/dbraw/zinc/18/21/02/172182102.db2.gz MPNYVJSNEQNVPG-QMMMGPOBSA-N -1 0 258.661 2.523 20 5 CFBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C(C)(C)C1 ZINC000266912035 296920805 /nfs/dbraw/zinc/92/08/05/296920805.db2.gz DHHJCQNOHQPHTL-VIFPVBQESA-N -1 0 278.308 2.561 20 5 CFBDRM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000184579198 262287365 /nfs/dbraw/zinc/28/73/65/262287365.db2.gz MNIHHWWYUYLRTL-UHFFFAOYSA-N -1 0 288.259 2.561 20 5 CFBDRM CC(C)[C@]1(C)C[C@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000397203984 270316744 /nfs/dbraw/zinc/31/67/44/270316744.db2.gz XZNGSHGRVDGVAV-MFKMUULPSA-N -1 0 279.296 2.535 20 5 CFBDRM CC(C)[C@@]1(C)C[C@@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000397203983 270316958 /nfs/dbraw/zinc/31/69/58/270316958.db2.gz XZNGSHGRVDGVAV-GXFFZTMASA-N -1 0 279.296 2.535 20 5 CFBDRM C[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000514732185 270351303 /nfs/dbraw/zinc/35/13/03/270351303.db2.gz DZGXEKBCTFSQHY-VIFPVBQESA-N -1 0 296.323 2.681 20 5 CFBDRM CC(C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000180103975 279030527 /nfs/dbraw/zinc/03/05/27/279030527.db2.gz GXXLMZYKYHVQSZ-NSHDSACASA-N -1 0 292.335 2.809 20 5 CFBDRM CC(C)C[C@H]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280764967 279215214 /nfs/dbraw/zinc/21/52/14/279215214.db2.gz BHYAMXCOUACOPF-LLVKDONJSA-N -1 0 292.335 2.809 20 5 CFBDRM CC[C@@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269150796 280245884 /nfs/dbraw/zinc/24/58/84/280245884.db2.gz RZLFSMRDORFKPU-LLVKDONJSA-N -1 0 278.308 2.705 20 5 CFBDRM CC(C)[C@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000355036658 280375917 /nfs/dbraw/zinc/37/59/17/280375917.db2.gz XPLSKZHRMBEVPA-NSHDSACASA-N -1 0 292.335 2.809 20 5 CFBDRM CC(C)[C@H]1N(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1(C)C ZINC000350692980 280470014 /nfs/dbraw/zinc/47/00/14/280470014.db2.gz NHOAJSIHCYYICT-CYBMUJFWSA-N -1 0 292.335 2.807 20 5 CFBDRM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273511315 288244721 /nfs/dbraw/zinc/24/47/21/288244721.db2.gz TYVOVWSETBHOPE-ONGXEEELSA-N -1 0 278.308 2.704 20 5 CFBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000119041162 280605291 /nfs/dbraw/zinc/60/52/91/280605291.db2.gz FKQYMHANASERAI-SNVBAGLBSA-N -1 0 292.335 2.999 20 5 CFBDRM COc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000163961459 280808219 /nfs/dbraw/zinc/80/82/19/280808219.db2.gz IJKNZLUJCYRTLZ-UHFFFAOYSA-N -1 0 288.259 2.561 20 5 CFBDRM CC1(C)CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436894050 281111370 /nfs/dbraw/zinc/11/13/70/281111370.db2.gz RPCRAVMTCITWQC-SECBINFHSA-N -1 0 278.308 2.609 20 5 CFBDRM CC1(C)CC[C@@H]1N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343780698 281112214 /nfs/dbraw/zinc/11/22/14/281112214.db2.gz AXLODLCJTHGJLP-NSHDSACASA-N -1 0 288.307 2.667 20 5 CFBDRM C[C@H](N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000542809657 281634535 /nfs/dbraw/zinc/63/45/35/281634535.db2.gz POGSGNKQPUIDGM-VIFPVBQESA-N -1 0 280.324 2.807 20 5 CFBDRM CC[C@H]1C[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970125 288350195 /nfs/dbraw/zinc/35/01/95/288350195.db2.gz BZOLUGRQNCFNJA-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000157614691 289959189 /nfs/dbraw/zinc/95/91/89/289959189.db2.gz AFNAVTCBLBLSTH-SNVBAGLBSA-N -1 0 296.348 2.625 20 5 CFBDRM CO[C@@H]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000563889283 290181404 /nfs/dbraw/zinc/18/14/04/290181404.db2.gz OZJUXDIWTZLCNM-NOZJJQNGSA-N -1 0 294.307 2.520 20 5 CFBDRM Cc1cc(N2CCC(CF)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034430 290261693 /nfs/dbraw/zinc/26/16/93/290261693.db2.gz ICLHJQNHHHKNDB-UHFFFAOYSA-N -1 0 296.298 2.787 20 5 CFBDRM C[C@@H]1C[C@H](C)CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000565034836 290261725 /nfs/dbraw/zinc/26/17/25/290261725.db2.gz GREQBMBIOYKKGJ-NXEZZACHSA-N -1 0 293.323 2.560 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC(C)(C)C[C@@H]2C)n1 ZINC000565034053 290261848 /nfs/dbraw/zinc/26/18/48/290261848.db2.gz CTSFGWUJDSCIRK-VIFPVBQESA-N -1 0 293.323 2.621 20 5 CFBDRM CC[C@@H](O)CCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000565036762 290261882 /nfs/dbraw/zinc/26/18/82/290261882.db2.gz URLKWNBWKKRVFM-SNVBAGLBSA-N -1 0 296.323 2.564 20 5 CFBDRM C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])CC(=O)[O-] ZINC000565429045 290301214 /nfs/dbraw/zinc/30/12/14/290301214.db2.gz SJCJJVIYPHIAKA-VIFPVBQESA-N -1 0 289.291 2.666 20 5 CFBDRM Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567113559 290439696 /nfs/dbraw/zinc/43/96/96/290439696.db2.gz DEZOAQGZAMRJEU-TXEJJXNPSA-N -1 0 290.319 2.694 20 5 CFBDRM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184814629 299887380 /nfs/dbraw/zinc/88/73/80/299887380.db2.gz GUXNCCBXFMYUCL-QWRGUYRKSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436992588 297240689 /nfs/dbraw/zinc/24/06/89/297240689.db2.gz XFGAWRJPYWCCPM-GMTAPVOTSA-N -1 0 292.335 2.807 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000154812916 304552790 /nfs/dbraw/zinc/55/27/90/304552790.db2.gz OZXJZKLOZDNCJD-ZYHUDNBSSA-N -1 0 290.319 2.705 20 5 CFBDRM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(C)n1 ZINC000194450551 301645823 /nfs/dbraw/zinc/64/58/23/301645823.db2.gz BJSZAVJPPIUPMP-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(SC2CCCC2)n1 ZINC000166894975 322387682 /nfs/dbraw/zinc/38/76/82/322387682.db2.gz COEOOXDZWGPDJT-UHFFFAOYSA-N -1 0 268.294 2.723 20 5 CFBDRM CCCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572725324 322629643 /nfs/dbraw/zinc/62/96/43/322629643.db2.gz IAELZUPKXSEXDH-UHFFFAOYSA-N -1 0 266.297 2.838 20 5 CFBDRM CC[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000572845599 322634140 /nfs/dbraw/zinc/63/41/40/322634140.db2.gz ZQQZDRRCEPDIJT-GHMZBOCLSA-N -1 0 294.307 2.663 20 5 CFBDRM C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000573445703 322656646 /nfs/dbraw/zinc/65/66/46/322656646.db2.gz QWGOMEXVMKYPTA-DTWKUNHWSA-N -1 0 298.726 2.795 20 5 CFBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC(C)(C)C1 ZINC000574159983 322683231 /nfs/dbraw/zinc/68/32/31/322683231.db2.gz WUVHIJJLGPOZMU-VIFPVBQESA-N -1 0 293.323 2.560 20 5 CFBDRM CCCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211910971 324110955 /nfs/dbraw/zinc/11/09/55/324110955.db2.gz XLEWXOMZDCRLHY-UHFFFAOYSA-N -1 0 252.270 2.529 20 5 CFBDRM C[C@@H]1CCC[C@@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000380237835 324408545 /nfs/dbraw/zinc/40/85/45/324408545.db2.gz LYCDOXMLMRXEOS-RKDXNWHRSA-N -1 0 279.296 2.536 20 5 CFBDRM C[C@H]1CCC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000380358529 324409554 /nfs/dbraw/zinc/40/95/54/324409554.db2.gz HIFIDGDNTDCHRP-IUCAKERBSA-N -1 0 279.296 2.679 20 5 CFBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CCCOC1 ZINC000386746863 324482414 /nfs/dbraw/zinc/48/24/14/324482414.db2.gz ASDVXSHMAIBJEK-VHSXEESVSA-N -1 0 294.307 2.520 20 5 CFBDRM CC(C)(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000393429188 324529537 /nfs/dbraw/zinc/52/95/37/324529537.db2.gz OVFRCWIXKLFLDT-JTQLQIEISA-N -1 0 296.323 2.502 20 5 CFBDRM CC1(C)SC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000577399401 324733467 /nfs/dbraw/zinc/73/34/67/324733467.db2.gz JVRUESYDWQYJHL-LLVKDONJSA-N -1 0 296.348 2.528 20 5 CFBDRM COC(C)(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000577637726 324762697 /nfs/dbraw/zinc/76/26/97/324762697.db2.gz CIXUIOPHZKVFBJ-SECBINFHSA-N -1 0 296.323 2.909 20 5 CFBDRM Cc1cc(N[C@H]2CS[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579715032 324974464 /nfs/dbraw/zinc/97/44/64/324974464.db2.gz LFNAICHJANXLDO-PSASIEDQSA-N -1 0 296.348 2.907 20 5 CFBDRM CC1(C)CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1 ZINC000582065162 325173809 /nfs/dbraw/zinc/17/38/09/325173809.db2.gz BPZGLPLWCINUAG-JTQLQIEISA-N -1 0 294.307 2.663 20 5 CFBDRM CCC[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000582184208 325183797 /nfs/dbraw/zinc/18/37/97/325183797.db2.gz QLQVHJPMCJIKLM-SNVBAGLBSA-N -1 0 293.323 2.705 20 5 CFBDRM CC1(C)CCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000360876754 520360581 /nfs/dbraw/zinc/36/05/81/520360581.db2.gz YDTSTTIAAUTZPA-NSHDSACASA-N -1 0 292.335 2.857 20 5 CFBDRM CCO[C@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000361659954 520500758 /nfs/dbraw/zinc/50/07/58/520500758.db2.gz IYQTUKCZVVQOBS-CYBMUJFWSA-N -1 0 296.323 2.690 20 5 CFBDRM Cc1cc(OCc2cc(C(=O)[O-])co2)ccc1[N+](=O)[O-] ZINC000051329356 525374577 /nfs/dbraw/zinc/37/45/77/525374577.db2.gz ISSWNILAHCHZFP-UHFFFAOYSA-N -1 0 277.232 2.773 20 5 CFBDRM Cc1cc([N+](=O)[O-])ccc1NCCC(C)(C)C(=O)[O-] ZINC000306105577 525570967 /nfs/dbraw/zinc/57/09/67/525570967.db2.gz SDENAJXZASVJGG-UHFFFAOYSA-N -1 0 266.297 2.816 20 5 CFBDRM O=C([O-])c1cc(C(=O)Nc2ccsc2)cc([N+](=O)[O-])c1 ZINC000237987692 526344818 /nfs/dbraw/zinc/34/48/18/526344818.db2.gz PNPMORIZPLIUHZ-UHFFFAOYSA-N -1 0 292.272 2.607 20 5 CFBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccccc1F ZINC000170967327 526356637 /nfs/dbraw/zinc/35/66/37/526356637.db2.gz RPILTBULNVRSRX-AATRIKPKSA-N -1 0 288.234 2.998 20 5 CFBDRM O=C(Nc1cccc(Cl)c1[O-])c1cc([N+](=O)[O-])c[nH]1 ZINC000340316297 527347422 /nfs/dbraw/zinc/34/74/22/527347422.db2.gz AMUYNGWDMWYTDX-UHFFFAOYSA-N -1 0 281.655 2.534 20 5 CFBDRM O=C(Nc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236563338 527398409 /nfs/dbraw/zinc/39/84/09/527398409.db2.gz SBBHRXYBEIYVFS-UHFFFAOYSA-N -1 0 258.233 2.553 20 5 CFBDRM O=C([O-])CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000238184802 527591550 /nfs/dbraw/zinc/59/15/50/527591550.db2.gz UAIAVTOKRXAUEG-UHFFFAOYSA-N -1 0 294.310 2.593 20 5 CFBDRM 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O=C(N[C@@H](C1CC1)C1CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000457220806 382995018 /nfs/dbraw/zinc/99/50/18/382995018.db2.gz CLLDLAJSLCVYCT-CYBMUJFWSA-N -1 0 290.319 2.609 20 5 CFBDRM O=C(N[C@@H](C1CC1)C1CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457257058 383004809 /nfs/dbraw/zinc/00/48/09/383004809.db2.gz SZZADEDEZFXKPV-CQSZACIVSA-N -1 0 290.319 2.609 20 5 CFBDRM Cc1cc(NC[C@H]2CCCS2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579359234 383007055 /nfs/dbraw/zinc/00/70/55/383007055.db2.gz GQYZPJJCXRKBEA-SNVBAGLBSA-N -1 0 296.348 2.909 20 5 CFBDRM C[C@H]1CCCC[C@]1(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457271482 383008943 /nfs/dbraw/zinc/00/89/43/383008943.db2.gz TXVOQADWHOSTHS-BONVTDFDSA-N -1 0 292.335 2.999 20 5 CFBDRM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000457275198 383009671 /nfs/dbraw/zinc/00/96/71/383009671.db2.gz JUQPUDCCJKNGNW-DZGCQCFKSA-N -1 0 292.335 2.855 20 5 CFBDRM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457279071 383010820 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Cc1cccc2c1CCN2C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000127474128 347841637 /nfs/dbraw/zinc/84/16/37/347841637.db2.gz BKJZZHYCXNIIQC-UHFFFAOYSA-N -1 0 298.298 2.812 20 5 CFBDRM O=C(Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000005784431 304002025 /nfs/dbraw/zinc/00/20/25/304002025.db2.gz YHAKOGOODGRFEI-UHFFFAOYSA-N -1 0 276.223 2.692 20 5 CFBDRM O=C([O-])C1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000138564112 347916878 /nfs/dbraw/zinc/91/68/78/347916878.db2.gz BGZXNUVRTYXFGJ-UHFFFAOYSA-N -1 0 284.699 2.915 20 5 CFBDRM CC1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCS1 ZINC000158808119 348008590 /nfs/dbraw/zinc/00/85/90/348008590.db2.gz QRGSTKUHBFATPO-UHFFFAOYSA-N -1 0 296.348 2.625 20 5 CFBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000233029098 348215651 /nfs/dbraw/zinc/21/56/51/348215651.db2.gz HXEYIGRANFFZMM-UHFFFAOYSA-N -1 0 266.297 2.561 20 5 CFBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccsc1 ZINC000235209005 348224942 /nfs/dbraw/zinc/22/49/42/348224942.db2.gz 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O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]2C[C@H]21 ZINC000592797663 349167245 /nfs/dbraw/zinc/16/72/45/349167245.db2.gz BPILSPLLJBZZHB-OIBJUYFYSA-N -1 0 296.710 2.578 20 5 CFBDRM CC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058518 349196911 /nfs/dbraw/zinc/19/69/11/349196911.db2.gz NJLWUDQPTMGTRE-GXTWGEPZSA-N -1 0 294.351 2.690 20 5 CFBDRM C[C@H]1CCC(C)(C)N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000597752590 350131145 /nfs/dbraw/zinc/13/11/45/350131145.db2.gz DMWQGLYMLSKXOW-VIFPVBQESA-N -1 0 278.308 2.704 20 5 CFBDRM CC[C@H](C)N(CC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597858845 350144676 /nfs/dbraw/zinc/14/46/76/350144676.db2.gz WZEFDTZDHBSOET-VIFPVBQESA-N -1 0 266.297 2.561 20 5 CFBDRM CCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000271252657 191030443 /nfs/dbraw/zinc/03/04/43/191030443.db2.gz HPMQGEPJMVCYBR-UHFFFAOYSA-N -1 0 278.308 2.705 20 5 CFBDRM O=C(NCCCC1CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598214439 350216100 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ZINC000900961419 620737753 /nfs/dbraw/zinc/73/77/53/620737753.db2.gz GYDCDZWQSCGDTK-IONNQARKSA-N -1 0 284.337 2.512 20 5 CFBDRM CC[C@H](C)[C@H](Nc1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262967141 617942655 /nfs/dbraw/zinc/94/26/55/617942655.db2.gz ARYCGDCXSKEJNW-CABZTGNLSA-N -1 0 266.297 2.814 20 5 CFBDRM CS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000235173264 618173508 /nfs/dbraw/zinc/17/35/08/618173508.db2.gz BYKZZNMAOPOCEB-WCBMZHEXSA-N -1 0 296.348 2.989 20 5 CFBDRM Cc1ccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC000263332236 620134417 /nfs/dbraw/zinc/13/44/17/620134417.db2.gz LSPJPDCIJWYDBC-DGCLKSJQSA-N -1 0 292.335 2.588 20 5 CFBDRM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000902010088 620957281 /nfs/dbraw/zinc/95/72/81/620957281.db2.gz OIHUFBAUMVUFLV-JTQLQIEISA-N -1 0 298.726 2.687 20 5 CFBDRM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000906150536 621940377 /nfs/dbraw/zinc/94/03/77/621940377.db2.gz MDPGVBZHXQVARF-GMTLJSCSSA-N -1 0 290.319 2.678 20 5 CFBDRM CS[C@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910363245 622435963 /nfs/dbraw/zinc/43/59/63/622435963.db2.gz CYYDXAGZBJRNIC-MRVPVSSYSA-N -1 0 284.337 2.765 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)CC[C@H]2C)n1 ZINC000910355141 622438152 /nfs/dbraw/zinc/43/81/52/622438152.db2.gz FEOOMGNMQFOKQL-PSASIEDQSA-N -1 0 293.323 2.621 20 5 CFBDRM Cc1cc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)ccc1[N+](=O)[O-] ZINC000910385241 622439584 /nfs/dbraw/zinc/43/95/84/622439584.db2.gz HZMVJXJZWWDKAP-XRRVDJEJSA-N -1 0 290.319 2.814 20 5 CFBDRM Cc1cc(N[C@H]2CCS[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910387057 622439939 /nfs/dbraw/zinc/43/99/39/622439939.db2.gz WSUGFCAGVMHUMF-KCJUWKMLSA-N -1 0 296.348 2.907 20 5 CFBDRM Cc1cc(N2CCCCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910386843 622440012 /nfs/dbraw/zinc/44/00/12/622440012.db2.gz QLQNIMCYDKCUKW-UHFFFAOYSA-N -1 0 280.280 2.523 20 5 CFBDRM CC[C@@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000920957318 624788570 /nfs/dbraw/zinc/78/85/70/624788570.db2.gz BVGWZCCAIUJCJP-WILPJHFFSA-N -1 0 264.281 2.903 20 5 CFBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)C[C@H](C)C(=O)[O-] ZINC000841510806 626485918 /nfs/dbraw/zinc/48/59/18/626485918.db2.gz GTBVDZALFCWKDI-QMMMGPOBSA-N -1 0 286.715 2.714 20 5 CFBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC=CCC1 ZINC000837365603 631013867 /nfs/dbraw/zinc/01/38/67/631013867.db2.gz NFBIOSQZBWSXES-JTQLQIEISA-N -1 0 277.276 2.700 20 5 CFBDRM CCC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000837564314 631068522 /nfs/dbraw/zinc/06/85/22/631068522.db2.gz IRISGCSLDNLDQQ-UHFFFAOYSA-N -1 0 279.292 2.924 20 5 CFBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C12CCC(CC1)C2 ZINC000837631928 631093365 /nfs/dbraw/zinc/09/33/65/631093365.db2.gz VZEKMHRNZURVIJ-UHFFFAOYSA-N -1 0 291.303 2.924 20 5 CFBDRM CN(CCCC(=O)[O-])c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000841504449 631418363 /nfs/dbraw/zinc/41/83/63/631418363.db2.gz TVLOJPWKAVHKBF-UHFFFAOYSA-N -1 0 295.320 2.506 20 5 CFBDRM Cc1cc(N(C)C[C@H](C)C(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000841511315 631420078 /nfs/dbraw/zinc/42/00/78/631420078.db2.gz XGDVGCXILFRYML-QMMMGPOBSA-N -1 0 286.715 2.714 20 5 CFBDRM CC[C@@H](C)CN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844209271 632134594 /nfs/dbraw/zinc/13/45/94/632134594.db2.gz YXQMGKZVDPIDCP-SNVBAGLBSA-N -1 0 280.324 2.704 20 5 CFBDRM CCOC[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844213238 632135611 /nfs/dbraw/zinc/13/56/11/632135611.db2.gz IEUGGWXUXAKHNT-BXKUYDPTSA-N -1 0 294.307 2.530 20 5 CFBDRM CC(C)[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844214935 632136454 /nfs/dbraw/zinc/13/64/54/632136454.db2.gz LUCMNCZUEWKXMV-LBPRGKRZSA-N -1 0 292.335 2.704 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1CSCCOC(F)F ZINC000853796201 635109938 /nfs/dbraw/zinc/10/99/38/635109938.db2.gz PXNMCXZPJVWMBT-UHFFFAOYSA-N -1 0 279.264 2.773 20 5 CFBDRM O=C([O-])c1cc(NCCC2CCC2)ccc1[N+](=O)[O-] ZINC000159199462 650251565 /nfs/dbraw/zinc/25/15/65/650251565.db2.gz OTINDMSUYAGDBZ-UHFFFAOYSA-N -1 0 264.281 2.895 20 5 CFBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000869703423 639357412 /nfs/dbraw/zinc/35/74/12/639357412.db2.gz FPFCXMMWDKQSDJ-IAQYHMDHSA-N -1 0 291.303 2.924 20 5 CFBDRM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000874972637 642568924 /nfs/dbraw/zinc/56/89/24/642568924.db2.gz JTNHEVHDQWFCOR-UHFFFAOYSA-N -1 0 271.228 2.773 20 5 CFBDRM O=C(NCC1(CC2CC2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000881519578 645015007 /nfs/dbraw/zinc/01/50/07/645015007.db2.gz VNWIXXGGEZVRGN-UHFFFAOYSA-N -1 0 290.319 2.611 20 5 CFBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1(C2CC2)CC1 ZINC000885730542 646741814 /nfs/dbraw/zinc/74/18/14/646741814.db2.gz RYGIFVUWYMLTFL-UHFFFAOYSA-N -1 0 277.276 2.534 20 5 CFBDRM C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000693430560 770629163 /nfs/dbraw/zinc/62/91/63/770629163.db2.gz MLBUWOHDQBIPNK-WPRPVWTQSA-N -1 0 298.726 2.795 20 5 CFBDRM COc1ccc([C@@H](C)Oc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC001225490819 775478460 /nfs/dbraw/zinc/47/84/60/775478460.db2.gz LNPOWMQHFXDNSP-SECBINFHSA-N -1 0 290.275 2.844 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1OCCOC1CCCC1 ZINC001225489897 775478572 /nfs/dbraw/zinc/47/85/72/775478572.db2.gz CWTRSPDBNYLLEN-UHFFFAOYSA-N -1 0 267.281 2.638 20 5 CFBDRM C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccncc1 ZINC001225489258 775479160 /nfs/dbraw/zinc/47/91/60/775479160.db2.gz UMSFUEIHYPMODZ-SECBINFHSA-N -1 0 260.249 2.835 20 5 CFBDRM CCC[C@H](CC(=O)OCC)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225619688 775526689 /nfs/dbraw/zinc/52/66/89/775526689.db2.gz HEVXJOGXNIDHMM-SNVBAGLBSA-N -1 0 297.307 2.801 20 5 CFBDRM CCCCOC[C@@H](C)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225619749 775526955 /nfs/dbraw/zinc/52/69/55/775526955.db2.gz IGTDFECKMWJQMH-SNVBAGLBSA-N -1 0 269.297 2.884 20 5 CFBDRM C[C@@H](Cc1ccco1)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225619792 775527439 /nfs/dbraw/zinc/52/74/39/775527439.db2.gz IUMFUKDITOYXQE-VIFPVBQESA-N -1 0 263.249 2.903 20 5 CFBDRM C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccn1 ZINC001225621047 775528555 /nfs/dbraw/zinc/52/85/55/775528555.db2.gz ZYTXPOARBLCIMC-VIFPVBQESA-N -1 0 260.249 2.835 20 5 CFBDRM C[C@@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C1CCCC1 ZINC001225664276 775546664 /nfs/dbraw/zinc/54/66/64/775546664.db2.gz MCWNKNPIHYVFRD-MRVPVSSYSA-N -1 0 252.270 2.653 20 5 CFBDRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226331073 775780607 /nfs/dbraw/zinc/78/06/07/775780607.db2.gz GKCXNBHSNPQMHP-FOGDFJRCSA-N -1 0 295.339 2.930 20 5 CFBDRM CC(C)CCC[C@@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226331259 775780646 /nfs/dbraw/zinc/78/06/46/775780646.db2.gz JLTBOTHAXRDJHY-SECBINFHSA-N -1 0 269.301 2.684 20 5 CFBDRM O=c1ncc([N+](=O)[O-])c(O[C@@H](c2ccccc2)C2CC2)[n-]1 ZINC001226330592 775781116 /nfs/dbraw/zinc/78/11/16/775781116.db2.gz ZCPSYJFCQVVVME-LBPRGKRZSA-N -1 0 287.275 2.621 20 5 CFBDRM C[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1c(F)cccc1F ZINC001226330531 775781536 /nfs/dbraw/zinc/78/15/36/775781536.db2.gz YDTJVAFLUMLADO-ZCFIWIBFSA-N -1 0 297.217 2.509 20 5 CFBDRM CCCC[C@@H](CCC)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226335468 775783977 /nfs/dbraw/zinc/78/39/77/775783977.db2.gz IJKCBXQUENWJQM-SECBINFHSA-N -1 0 269.301 2.828 20 5 CFBDRM Cc1nc(Cl)nc(O[C@@H](C)C2=CC=C[CH]2)c1[N+](=O)[O-] ZINC001227341208 776180755 /nfs/dbraw/zinc/18/07/55/776180755.db2.gz VHWFJPLQXZOZIB-QMMMGPOBSA-N -1 0 280.691 2.814 20 5 CFBDRM COC(=O)c1cc(O[C@@H](C)C2=CC=C[CH]2)cc([N+](=O)[O-])c1 ZINC001228771258 776604700 /nfs/dbraw/zinc/60/47/00/776604700.db2.gz PFGLMMWFIKHEGY-JTQLQIEISA-N -1 0 288.279 2.849 20 5 CFBDRM COC(C)(C)C[C@H](C)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228973139 776673904 /nfs/dbraw/zinc/67/39/04/776673904.db2.gz GKBHEHBPUMTVNY-QMMMGPOBSA-N -1 0 285.296 2.588 20 5 CFBDRM COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H](C)C1=CC=C[CH]1 ZINC001229059144 776704578 /nfs/dbraw/zinc/70/45/78/776704578.db2.gz JVFBOTYZUOTIEI-JTQLQIEISA-N -1 0 288.279 2.849 20 5 CFBDRM CC[C@@H](C)C[C@H](CC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229380761 776795057 /nfs/dbraw/zinc/79/50/57/776795057.db2.gz KYLVVFAKPFMHGY-SCZZXKLOSA-N -1 0 283.328 2.992 20 5 CFBDRM Cc1ccccc1[C@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229378720 776795136 /nfs/dbraw/zinc/79/51/36/776795136.db2.gz JKSNKOUOKQHLAP-VIFPVBQESA-N -1 0 289.291 2.847 20 5 CFBDRM Cc1nc(O[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229381650 776796450 /nfs/dbraw/zinc/79/64/50/776796450.db2.gz OFSWLSDHDWBROT-OYNCUSHFSA-N -1 0 281.312 2.602 20 5 CFBDRM Cc1nc(O[C@@H]2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382277 776796470 /nfs/dbraw/zinc/79/64/70/776796470.db2.gz QWIMJUYWVMRWEC-OYNCUSHFSA-N -1 0 281.312 2.602 20 5 CFBDRM Cc1nc(O[C@@H]2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382280 776796988 /nfs/dbraw/zinc/79/69/88/776796988.db2.gz QWIMJUYWVMRWEC-QXFUBDJGSA-N -1 0 281.312 2.602 20 5 CFBDRM O=c1oc2cc(OC[C@@H]3CCO3)ccc2c2ccc([O-])cc12 ZINC001229797863 776894273 /nfs/dbraw/zinc/89/42/73/776894273.db2.gz PVURGRROGFFQIX-LBPRGKRZSA-N -1 0 298.294 2.820 20 5 CFBDRM C[C@H](Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001230316353 776977424 /nfs/dbraw/zinc/97/74/24/776977424.db2.gz VOIVURCXHYWSRN-VIFPVBQESA-N -1 0 275.240 2.971 20 5 CFBDRM C[C@@H](Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001230316350 776977558 /nfs/dbraw/zinc/97/75/58/776977558.db2.gz VOIVURCXHYWSRN-SECBINFHSA-N -1 0 275.240 2.971 20 5 CFBDRM O=[N+]([O-])C[C@H](Oc1ccccc1[S-])c1cccnc1 ZINC001225588046 777061329 /nfs/dbraw/zinc/06/13/29/777061329.db2.gz OPUIAGKJTIEQLR-LBPRGKRZSA-N -1 0 276.317 2.767 20 5 CFBDRM CC1CCC(Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])CC1 ZINC001231073158 777132529 /nfs/dbraw/zinc/13/25/29/777132529.db2.gz YHBOOTDODVJCMW-UHFFFAOYSA-N -1 0 287.703 2.701 20 5 CFBDRM C[C@@H]1CCC[C@@H](C)C1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225668181 777158111 /nfs/dbraw/zinc/15/81/11/777158111.db2.gz ZPVRVTIBRRPHLY-RKDXNWHRSA-N -1 0 266.297 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Cc1nc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])cs1 ZINC000338934717 383090082 /nfs/dbraw/zinc/09/00/82/383090082.db2.gz RYXHKJMGEAUDHI-UHFFFAOYSA-N -1 0 293.348 2.697 20 5 CFBDRM C[C@]1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1F ZINC000424750008 383251093 /nfs/dbraw/zinc/25/10/93/383251093.db2.gz FLYLAGYIZVZWIY-KWQFWETISA-N -1 0 288.662 2.640 20 5 CFBDRM C[C@@H]1CC(C)(C)CN1c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000568517308 383410729 /nfs/dbraw/zinc/41/07/29/383410729.db2.gz HJIHXZFPLYLZHY-SECBINFHSA-N -1 0 278.308 2.918 20 5 CFBDRM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000457234736 296346226 /nfs/dbraw/zinc/34/62/26/296346226.db2.gz BCAWSBLGDDJMKL-MEBBXXQBSA-N -1 0 292.335 2.999 20 5 CFBDRM Cc1cc(N2C[C@H](C)C[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568752499 383433168 /nfs/dbraw/zinc/43/31/68/383433168.db2.gz QFWXHKYZPIVLAE-PSASIEDQSA-N -1 0 278.308 2.836 20 5 CFBDRM CCCC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000261564007 383512657 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C[C@@]1(F)CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000574043850 384034273 /nfs/dbraw/zinc/03/42/73/384034273.db2.gz VJWIZJFYNUVMPO-CYBMUJFWSA-N -1 0 282.271 2.621 20 5 CFBDRM Cc1cc(NC[C@]2(C)CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574042710 384034858 /nfs/dbraw/zinc/03/48/58/384034858.db2.gz AUAYGQUPUABYPE-AWEZNQCLSA-N -1 0 294.307 2.582 20 5 CFBDRM CCC[C@H](CC)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574403229 384090384 /nfs/dbraw/zinc/09/03/84/384090384.db2.gz AZIKQXYFBZPNHM-VIFPVBQESA-N -1 0 281.312 2.987 20 5 CFBDRM COc1cc(N[C@@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044901 533036479 /nfs/dbraw/zinc/03/64/79/533036479.db2.gz RBZBKBMTDVMDFY-JTQLQIEISA-N -1 0 282.296 2.515 20 5 CFBDRM O=C(NC1CCC2(CC2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000277698841 384380677 /nfs/dbraw/zinc/38/06/77/384380677.db2.gz WCBNLWWTKRRBIO-UHFFFAOYSA-N -1 0 290.319 2.753 20 5 CFBDRM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000352291505 220300894 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O=C(NCCC1=CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000283586061 195883173 /nfs/dbraw/zinc/88/31/73/195883173.db2.gz XHGCDQIWWMOCJT-UHFFFAOYSA-N -1 0 276.292 2.531 20 5 CFBDRM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181979883 296464837 /nfs/dbraw/zinc/46/48/37/296464837.db2.gz OCAMBWNXBPLGFR-AOOOYVTPSA-N -1 0 278.308 2.704 20 5 CFBDRM O=C([O-])c1cnc(/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000355367233 130293054 /nfs/dbraw/zinc/29/30/54/130293054.db2.gz JMFILHFUCVBAQG-ZZXKWVIFSA-N -1 0 276.273 2.920 20 5 CFBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccco1 ZINC000357345062 130447791 /nfs/dbraw/zinc/44/77/91/130447791.db2.gz XBLFWBGCZHRMLY-UHFFFAOYSA-N -1 0 296.304 2.551 20 5 CFBDRM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194406853 393694362 /nfs/dbraw/zinc/69/43/62/393694362.db2.gz MXFUHXCJNDCREV-PWSUYJOCSA-N -1 0 292.335 2.857 20 5 CFBDRM O=C(NC1CCCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000228071110 393773328 /nfs/dbraw/zinc/77/33/28/393773328.db2.gz 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20 5 CFBDRM CCCCC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC000829346865 602129740 /nfs/dbraw/zinc/12/97/40/602129740.db2.gz DHIUHOCYNQXEMU-SNVBAGLBSA-N -1 0 281.312 2.744 20 5 CFBDRM CCC(CC)(CNc1cc(C)c([N+](=O)[O-])cn1)NC(=O)[O-] ZINC000826566562 603891844 /nfs/dbraw/zinc/89/18/44/603891844.db2.gz OJKLHEDLKVVQNX-UHFFFAOYSA-N -1 0 296.327 2.537 20 5 CFBDRM O=C([O-])c1ccc(COc2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000833315264 604807349 /nfs/dbraw/zinc/80/73/49/604807349.db2.gz PWVAKZGFWSNLNQ-UHFFFAOYSA-N -1 0 281.195 2.604 20 5 CFBDRM Cc1oc(COc2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833025915 604807597 /nfs/dbraw/zinc/80/75/97/604807597.db2.gz AKIWTTJJQAVGHO-UHFFFAOYSA-N -1 0 295.222 2.913 20 5 CFBDRM C[C@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833609993 605350233 /nfs/dbraw/zinc/35/02/33/605350233.db2.gz UJPUEUSATNDJSO-QPUJVOFHSA-N -1 0 292.291 2.668 20 5 CFBDRM O=C([O-])N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000834078076 605379488 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O=[N+]([O-])c1cnc(Nc2cnn(C3CCC3)c2)s1 ZINC000897107759 619934494 /nfs/dbraw/zinc/93/44/94/619934494.db2.gz TUAGXCVNMDYUSG-UHFFFAOYSA-N -1 0 265.298 2.716 20 5 CFBDRM CC(C)C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000148365411 619990056 /nfs/dbraw/zinc/99/00/56/619990056.db2.gz PNTYFCXVCMFIDZ-QMMMGPOBSA-N -1 0 287.703 2.554 20 5 CFBDRM CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000263376957 620137450 /nfs/dbraw/zinc/13/74/50/620137450.db2.gz BOCGZSHYJRKRGO-CPCISQLKSA-N -1 0 270.260 2.645 20 5 CFBDRM O=C([O-])Cc1ccc(NC2CCSCC2)c([N+](=O)[O-])c1 ZINC000910354924 622438072 /nfs/dbraw/zinc/43/80/72/622438072.db2.gz JDBMKZQPQUYYHV-UHFFFAOYSA-N -1 0 296.348 2.529 20 5 CFBDRM Cc1cc(N[C@H]2CC23CC3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910355436 622438088 /nfs/dbraw/zinc/43/80/88/622438088.db2.gz LYHZSULSVHQHSY-JTQLQIEISA-N -1 0 262.265 2.566 20 5 CFBDRM Cc1ccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c([N+](=O)[O-])c1 ZINC000910386999 622439890 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284.337 2.847 20 5 CFBDRM Cc1cc(N[C@@H]2CCC[C@]2(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000165009572 622978084 /nfs/dbraw/zinc/97/80/84/622978084.db2.gz XXHFPCVRUZCDEY-OCCSQVGLSA-N -1 0 278.308 2.959 20 5 CFBDRM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C ZINC000227122593 623097965 /nfs/dbraw/zinc/09/79/65/623097965.db2.gz VCAGELDGJPPLAW-SECBINFHSA-N -1 0 280.324 2.712 20 5 CFBDRM O=C(Oc1ccccc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000916850923 624286673 /nfs/dbraw/zinc/28/66/73/624286673.db2.gz LDJCBPZCCXMUEP-UHFFFAOYSA-N -1 0 266.640 2.796 20 5 CFBDRM CCOc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000916853999 624288548 /nfs/dbraw/zinc/28/85/48/624288548.db2.gz SUTWNTKFVFFTEM-UHFFFAOYSA-N -1 0 276.248 2.541 20 5 CFBDRM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cc([O-])ccc1[N+](=O)[O-] ZINC000921380005 624863414 /nfs/dbraw/zinc/86/34/14/624863414.db2.gz ZPUGUYKDTMRZNI-XHVZSJERSA-N -1 0 290.319 2.609 20 5 CFBDRM CC(C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])=C1CCC1 ZINC000838236987 626489725 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CCCCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837332576 631002542 /nfs/dbraw/zinc/00/25/42/631002542.db2.gz MICFASBTBDZWHZ-UHFFFAOYSA-N -1 0 267.281 2.924 20 5 CFBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000837336115 631004150 /nfs/dbraw/zinc/00/41/50/631004150.db2.gz VESVPKRCKZUYEC-UHFFFAOYSA-N -1 0 265.265 2.534 20 5 CFBDRM CCCCO[C@@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837472768 631041435 /nfs/dbraw/zinc/04/14/35/631041435.db2.gz WNQAJCBXTYHNHT-JTQLQIEISA-N -1 0 297.307 2.549 20 5 CFBDRM CCC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837494562 631047507 /nfs/dbraw/zinc/04/75/07/631047507.db2.gz AINWQYJTIDGXDF-UHFFFAOYSA-N -1 0 267.281 2.780 20 5 CFBDRM Cc1cc(NC[C@@H]2CCC=CO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844208292 632134515 /nfs/dbraw/zinc/13/45/15/632134515.db2.gz GTRJSTSFPHZJBG-JTQLQIEISA-N -1 0 292.291 2.706 20 5 CFBDRM CSC(C)(C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844211194 632135498 /nfs/dbraw/zinc/13/54/98/632135498.db2.gz USWJVPYLEDQVPG-UHFFFAOYSA-N -1 0 298.364 2.775 20 5 CFBDRM CC(C)(C(=O)[N-]OC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000815950789 632339672 /nfs/dbraw/zinc/33/96/72/632339672.db2.gz IOOGRBFXFYBJNH-UHFFFAOYSA-N -1 0 292.335 2.863 20 5 CFBDRM CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C(=O)[O-])C(C)C ZINC000848637049 633304588 /nfs/dbraw/zinc/30/45/88/633304588.db2.gz BULFPTJUHIPKGS-LBPRGKRZSA-N -1 0 294.307 2.566 20 5 CFBDRM CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C(=O)[O-])C(C)C ZINC000848637048 633304872 /nfs/dbraw/zinc/30/48/72/633304872.db2.gz BULFPTJUHIPKGS-GFCCVEGCSA-N -1 0 294.307 2.566 20 5 CFBDRM Cc1cc(N[C@@H]2C=CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000849347751 633625060 /nfs/dbraw/zinc/62/50/60/633625060.db2.gz FQSJZWDWDPUMCE-SECBINFHSA-N -1 0 262.265 2.732 20 5 CFBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000077687686 650443035 /nfs/dbraw/zinc/44/30/35/650443035.db2.gz YEUAMWTUJAXTTI-UHFFFAOYSA-N -1 0 296.279 2.535 20 5 CFBDRM O=Cc1ccc(-c2cc([N+](=O)[O-])c(C(=O)[O-])s2)cc1F 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O=[N+]([O-])c1cc(F)ccc1[N-]c1nonc1C1CC1 ZINC001210952396 770404296 /nfs/dbraw/zinc/40/42/96/770404296.db2.gz FSPGSCWQWVFSQU-UHFFFAOYSA-N -1 0 264.216 2.738 20 5 CFBDRM C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000693430556 770629479 /nfs/dbraw/zinc/62/94/79/770629479.db2.gz MLBUWOHDQBIPNK-WCBMZHEXSA-N -1 0 298.726 2.795 20 5 CFBDRM O=[N+]([O-])c1c([O-])cccc1OCCOC1CCCC1 ZINC001225619710 775526703 /nfs/dbraw/zinc/52/67/03/775526703.db2.gz HIJZKVHSNCGREZ-UHFFFAOYSA-N -1 0 267.281 2.638 20 5 CFBDRM COC1=CC[C@H](Oc2cccc([O-])c2[N+](=O)[O-])CC1 ZINC001225627392 775530541 /nfs/dbraw/zinc/53/05/41/775530541.db2.gz ZVUSUODWTXFMIY-JTQLQIEISA-N -1 0 265.265 2.762 20 5 CFBDRM COC(C)(C)C[C@@H](C)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225625323 775531035 /nfs/dbraw/zinc/53/10/35/775531035.db2.gz IEIQGRLZIZXOMD-SECBINFHSA-N -1 0 269.297 2.883 20 5 CFBDRM Cc1ccc([C@@H](C)Oc2[n-]c(=O)ncc2[N+](=O)[O-])c(C)c1 ZINC001226332507 775782332 /nfs/dbraw/zinc/78/23/32/775782332.db2.gz VNDUBXWSTZMFPS-SNVBAGLBSA-N -1 0 289.291 2.847 20 5 CFBDRM CCC[C@@H](CC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-] ZINC001227625329 776248429 /nfs/dbraw/zinc/24/84/29/776248429.db2.gz WAYAKZPTFWFMSY-SSDOTTSWSA-N -1 0 287.341 2.770 20 5 CFBDRM CC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[nH]c21)C(C)C ZINC001227694980 776260688 /nfs/dbraw/zinc/26/06/88/776260688.db2.gz JSSGKTLUFHOFCD-SECBINFHSA-N -1 0 264.285 2.680 20 5 CFBDRM Cc1nc(O[C@H]2CCC=CCCC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377542 776794845 /nfs/dbraw/zinc/79/48/45/776794845.db2.gz CHNPJCKCPOZTKY-JTQLQIEISA-N -1 0 279.296 2.667 20 5 CFBDRM Cc1nc(O[C@@H]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377530 776795876 /nfs/dbraw/zinc/79/58/76/776795876.db2.gz BUJMFVRMCNNJCE-QXFUBDJGSA-N -1 0 281.312 2.602 20 5 CFBDRM Cc1cccc([C@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001229380903 776797059 /nfs/dbraw/zinc/79/70/59/776797059.db2.gz NCXWCVDJGQBSJD-VIFPVBQESA-N -1 0 289.291 2.847 20 5 CFBDRM CC[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(C)C ZINC001231076704 777134490 /nfs/dbraw/zinc/13/44/90/777134490.db2.gz PANUZKIBJVDGKB-ZCFIWIBFSA-N -1 0 275.692 2.557 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCCC[C@H]2C)[n-]1 ZINC001231258653 777178885 /nfs/dbraw/zinc/17/88/85/777178885.db2.gz BNVGPYOQVIFELU-LDYMZIIASA-N -1 0 266.297 2.961 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC[C@H]2C3)[n-]1 ZINC001231263335 777179718 /nfs/dbraw/zinc/17/97/18/777179718.db2.gz IZWCRFSCQQREQB-WCABBAIRSA-N -1 0 264.281 2.571 20 5 CFBDRM C[C@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC001233587798 777999915 /nfs/dbraw/zinc/99/99/15/777999915.db2.gz ZZMKINLTLZZANT-ZETCQYMHSA-N -1 0 295.682 2.884 20 5 CFBDRM COC(=O)c1ccc(O[C@H](C)C2=CC=C[CH]2)cc1[N+](=O)[O-] ZINC001234049710 778152884 /nfs/dbraw/zinc/15/28/84/778152884.db2.gz BARRRDXJJVHURT-SNVBAGLBSA-N -1 0 288.279 2.849 20 5 CFBDRM C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594541483 349444379 /nfs/dbraw/zinc/44/43/79/349444379.db2.gz VLQFAXIDIUTCAU-DVVUODLYSA-N -1 0 293.323 2.537 20 5 CFBDRM COC1CC(CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000594736819 349484590 /nfs/dbraw/zinc/48/45/90/349484590.db2.gz QCUWHGDHWFKYGQ-UHFFFAOYSA-N -1 0 294.307 2.520 20 5 CFBDRM O=C([O-])C[C@@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594734802 349484171 /nfs/dbraw/zinc/48/41/71/349484171.db2.gz FMDHTZSDNRDJRD-JTQLQIEISA-N -1 0 264.281 2.508 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C(C)C)C2CC2)n1 ZINC000595277447 349589997 /nfs/dbraw/zinc/58/99/97/349589997.db2.gz JCLDQPBPZFICLJ-NSHDSACASA-N -1 0 293.323 2.843 20 5 CFBDRM O=C([O-])CCCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000070200434 346908013 /nfs/dbraw/zinc/90/80/13/346908013.db2.gz RYQALHKQGUQKQG-UHFFFAOYSA-N -1 0 289.291 2.810 20 5 CFBDRM CC1(C)CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000070261497 346909186 /nfs/dbraw/zinc/90/91/86/346909186.db2.gz VADZENXXSCKHAP-UHFFFAOYSA-N -1 0 278.308 2.919 20 5 CFBDRM Cc1cccc(NC[C@@H](C(=O)[O-])C2CCC2)c1[N+](=O)[O-] ZINC000595977930 349773724 /nfs/dbraw/zinc/77/37/24/349773724.db2.gz PGJJGDFAQJYJQM-LLVKDONJSA-N -1 0 278.308 2.816 20 5 CFBDRM O=C([O-])[C@H](CNc1sccc1[N+](=O)[O-])C1CCC1 ZINC000595977142 349773750 /nfs/dbraw/zinc/77/37/50/349773750.db2.gz FQWFBZRFNZSISR-MRVPVSSYSA-N -1 0 270.310 2.569 20 5 CFBDRM Cc1ccc(NC[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000595978497 349773880 /nfs/dbraw/zinc/77/38/80/349773880.db2.gz WHFRRIJCXAMHTA-LLVKDONJSA-N -1 0 278.308 2.816 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1NC[C@H](C(=O)[O-])C1CCC1 ZINC000595977940 349773910 /nfs/dbraw/zinc/77/39/10/349773910.db2.gz PKTFJUNTQZWGEL-NSHDSACASA-N -1 0 278.308 2.816 20 5 CFBDRM O=C([N-]c1c(F)cc(F)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000072506680 346926566 /nfs/dbraw/zinc/92/65/66/346926566.db2.gz QWDDMHGDEYXZLR-UHFFFAOYSA-N -1 0 286.165 2.857 20 5 CFBDRM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000126960370 187273391 /nfs/dbraw/zinc/27/33/91/187273391.db2.gz SUQGFFUECJGLCV-WDEREUQCSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C([O-])c1cc(N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000013179333 136568552 /nfs/dbraw/zinc/56/85/52/136568552.db2.gz LQQGGXDNVBYZAI-UHFFFAOYSA-N -1 0 298.298 2.856 20 5 CFBDRM CC(C)C[C@H](CNc1ncccc1[N+](=O)[O-])CC(=O)[O-] ZINC000088274368 347500776 /nfs/dbraw/zinc/50/07/76/347500776.db2.gz JUDLRKIRMIFBBN-JTQLQIEISA-N -1 0 281.312 2.539 20 5 CFBDRM CC(=O)CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546232 347631326 /nfs/dbraw/zinc/63/13/26/347631326.db2.gz GWYJWMXUQJEPGK-UHFFFAOYSA-N -1 0 294.307 2.634 20 5 CFBDRM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000092540217 347631484 /nfs/dbraw/zinc/63/14/84/347631484.db2.gz GXXUQEJCPWNNND-UWVGGRQHSA-N -1 0 282.365 2.626 20 5 CFBDRM Cc1cc(NC[C@H](CC(=O)[O-])CC(C)C)ncc1[N+](=O)[O-] ZINC000092026543 347607059 /nfs/dbraw/zinc/60/70/59/347607059.db2.gz CHDRLDYXXQUAJR-NSHDSACASA-N -1 0 295.339 2.847 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000094659091 347696413 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CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000313841462 348423972 /nfs/dbraw/zinc/42/39/72/348423972.db2.gz KKWJNEHDYUQFFY-GHMZBOCLSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C(CCCC1CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000589842811 348860179 /nfs/dbraw/zinc/86/01/79/348860179.db2.gz QHKQCOAUFORBAQ-UHFFFAOYSA-N -1 0 264.281 2.819 20 5 CFBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@@H](C2CCC2)C1 ZINC000591237983 349001894 /nfs/dbraw/zinc/00/18/94/349001894.db2.gz NJXLQIXWXYOBIY-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM CC(C)C[C@@H](Nc1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000591325233 349009175 /nfs/dbraw/zinc/00/91/75/349009175.db2.gz QDJOEXRQBDMLMJ-SSDOTTSWSA-N -1 0 258.299 2.568 20 5 CFBDRM CC(C)[C@@H]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000592972652 349179371 /nfs/dbraw/zinc/17/93/71/349179371.db2.gz BUHQABSMIJFMET-SNVBAGLBSA-N -1 0 293.323 2.560 20 5 CFBDRM C[C@H]1C[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CS1 ZINC000592973948 349179485 /nfs/dbraw/zinc/17/94/85/349179485.db2.gz MCYQXLQYCTWHJA-WCBMZHEXSA-N -1 0 296.348 2.528 20 5 CFBDRM CCCCN(CCOC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592971168 349179710 /nfs/dbraw/zinc/17/97/10/349179710.db2.gz AVMRBVSCECORFE-UHFFFAOYSA-N -1 0 296.323 2.546 20 5 CFBDRM CC(C)OCCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593188262 349225467 /nfs/dbraw/zinc/22/54/67/349225467.db2.gz ALNISTVSXICSIZ-UHFFFAOYSA-N -1 0 271.338 2.959 20 5 CFBDRM CO[C@@H](CSCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593199000 349227772 /nfs/dbraw/zinc/22/77/72/349227772.db2.gz OSJWBWAHJMTYNH-ZDUSSCGKSA-N -1 0 283.349 2.959 20 5 CFBDRM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000593785645 349327448 /nfs/dbraw/zinc/32/74/48/349327448.db2.gz INGCVVDSPQQESJ-WDEREUQCSA-N -1 0 292.335 2.855 20 5 CFBDRM CC(C)(O)CCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000594458794 349427121 /nfs/dbraw/zinc/42/71/21/349427121.db2.gz YLDDYYYSZIBMDA-UHFFFAOYSA-N -1 0 271.338 2.695 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000597443729 350097987 /nfs/dbraw/zinc/09/79/87/350097987.db2.gz WMDBKHLOZUESJO-IEBDPFPHSA-N -1 0 276.292 2.675 20 5 CFBDRM CCc1nn(C)cc1[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000091026330 180089270 /nfs/dbraw/zinc/08/92/70/180089270.db2.gz CINQZDGEIXYWMK-UHFFFAOYSA-N -1 0 291.267 2.543 20 5 CFBDRM CC[C@H](C)N(CC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597859386 350144911 /nfs/dbraw/zinc/14/49/11/350144911.db2.gz XVBIIHPPAFOOKB-VIFPVBQESA-N -1 0 266.297 2.561 20 5 CFBDRM Cc1cc(N2CCCCCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565038566 290262136 /nfs/dbraw/zinc/26/21/36/290262136.db2.gz RERIDVHTEMBIKF-UHFFFAOYSA-N -1 0 278.308 2.982 20 5 CFBDRM CC(C)(C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000108401032 186215973 /nfs/dbraw/zinc/21/59/73/186215973.db2.gz GZZWFGCAKOZHKK-UHFFFAOYSA-N -1 0 296.308 2.589 20 5 CFBDRM O=C([O-])c1cnc(NC[C@@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000600679561 350596430 /nfs/dbraw/zinc/59/64/30/350596430.db2.gz YHEPSWVSVIOIBN-JTQLQIEISA-N -1 0 291.307 2.680 20 5 CFBDRM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600761276 350607266 /nfs/dbraw/zinc/60/72/66/350607266.db2.gz XIAWCRHKTVWZTJ-NHYWBVRUSA-N -1 0 290.319 2.705 20 5 CFBDRM O=C(NC[C@@H]1CCCC12CC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000600804581 350615291 /nfs/dbraw/zinc/61/52/91/350615291.db2.gz NQSKCEIRJXYYGF-JTQLQIEISA-N -1 0 290.319 2.611 20 5 CFBDRM O=C(NC[C@@H]1CCCC12CC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000600803602 350615303 /nfs/dbraw/zinc/61/53/03/350615303.db2.gz KYJXIASWVBUELI-JTQLQIEISA-N -1 0 290.319 2.611 20 5 CFBDRM CC1(c2nc(=NCc3cccc([N+](=O)[O-])c3)s[n-]2)CC1 ZINC000601065168 350656742 /nfs/dbraw/zinc/65/67/42/350656742.db2.gz WNYGPKGGYUBZEJ-UHFFFAOYSA-N -1 0 290.348 2.532 20 5 CFBDRM CCC(C)(C)CCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000601744867 350770503 /nfs/dbraw/zinc/77/05/03/350770503.db2.gz NIZGCSTUHKBLQN-UHFFFAOYSA-N -1 0 280.324 2.857 20 5 CFBDRM C[C@H]1CCc2[n-]n(-c3cccc([N+](=O)[O-])c3)c(=O)c2C1 ZINC000601931283 350805740 /nfs/dbraw/zinc/80/57/40/350805740.db2.gz HIUDXPBUONTKLE-CABZTGNLSA-N -1 0 273.292 2.734 20 5 CFBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c(C2CCC2)cc1=O ZINC000601937182 350809573 /nfs/dbraw/zinc/80/95/73/350809573.db2.gz CGQNKKLPZREOTR-UHFFFAOYSA-N -1 0 273.292 2.796 20 5 CFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C2CCCC1CCC2 ZINC000611557042 351708673 /nfs/dbraw/zinc/70/86/73/351708673.db2.gz JNMINTCUHZRJLP-UHFFFAOYSA-N -1 0 290.319 2.848 20 5 CFBDRM CCC(CC)N(CC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000292064232 198149421 /nfs/dbraw/zinc/14/94/21/198149421.db2.gz GYSWXUSZGSLGMO-UHFFFAOYSA-N -1 0 280.324 2.951 20 5 CFBDRM COc1cccc(NC2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000134882825 187777268 /nfs/dbraw/zinc/77/72/68/187777268.db2.gz STDZJBRDRLZKJS-UHFFFAOYSA-N -1 0 294.307 2.659 20 5 CFBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000618389055 352764914 /nfs/dbraw/zinc/76/49/14/352764914.db2.gz FXYDRYHNGDRMNW-UHFFFAOYSA-N -1 0 299.695 2.663 20 5 CFBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC000619777470 353066083 /nfs/dbraw/zinc/06/60/83/353066083.db2.gz ANMHDSNZQLSEMP-QMMMGPOBSA-N -1 0 292.316 2.853 20 5 CFBDRM CC(C)CO[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000153347545 188077540 /nfs/dbraw/zinc/07/75/40/188077540.db2.gz LUVGEHXHNNPDOM-SNVBAGLBSA-N -1 0 298.364 2.779 20 5 CFBDRM CC(C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000155685614 188221451 /nfs/dbraw/zinc/22/14/51/188221451.db2.gz TVAUMFBBQZMGJW-NSHDSACASA-N -1 0 292.335 2.809 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCCCCC1 ZINC000158102801 188357595 /nfs/dbraw/zinc/35/75/95/188357595.db2.gz TXONWXKEIOOLMC-UHFFFAOYSA-N -1 0 278.308 2.707 20 5 CFBDRM O=C(N[C@@H]1CCC12CCCC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355303306 303833137 /nfs/dbraw/zinc/83/31/37/303833137.db2.gz GKUJIXPODNDTOX-CYBMUJFWSA-N -1 0 290.319 2.753 20 5 CFBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCC1 ZINC000172200512 299246865 /nfs/dbraw/zinc/24/68/65/299246865.db2.gz BGENIKQDQUAGBM-VIFPVBQESA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182067038 189313222 /nfs/dbraw/zinc/31/32/22/189313222.db2.gz AUHKXSQKYGKXER-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM CC1(C)CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000442930711 241020822 /nfs/dbraw/zinc/02/08/22/241020822.db2.gz ZUDHLNMRSYLWDR-LLVKDONJSA-N -1 0 292.335 2.999 20 5 CFBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/C=C\c1ccncc1 ZINC000447363734 241370663 /nfs/dbraw/zinc/37/06/63/241370663.db2.gz APZPTRLUPPKRKG-HSFFGMMNSA-N -1 0 297.270 2.810 20 5 CFBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000235208494 296104232 /nfs/dbraw/zinc/10/42/32/296104232.db2.gz FWWDEQPLKNMMAL-SECBINFHSA-N -1 0 278.308 2.609 20 5 CFBDRM CN(C[C@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000330831182 203288702 /nfs/dbraw/zinc/28/87/02/203288702.db2.gz QEPYXPZOZZEVOZ-NSHDSACASA-N -1 0 290.319 2.729 20 5 CFBDRM O=c1nc(-c2cccc([N+](=O)[O-])c2)[n-]c2ccsc21 ZINC000048606355 373208534 /nfs/dbraw/zinc/20/85/34/373208534.db2.gz MDGMSHJEGFPJRZ-UHFFFAOYSA-N -1 0 273.273 2.972 20 5 CFBDRM CC(C)(CCC(=O)[O-])Nc1ccc([N+](=O)[O-])cc1F ZINC000050196266 373363977 /nfs/dbraw/zinc/36/39/77/373363977.db2.gz LOZMRJWOXMVKHO-UHFFFAOYSA-N -1 0 270.260 2.789 20 5 CFBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(O)cc1 ZINC000052507476 373445279 /nfs/dbraw/zinc/44/52/79/373445279.db2.gz VCCVTUMRKHUUNP-ZZXKWVIFSA-N -1 0 286.243 2.564 20 5 CFBDRM Cc1cc(N2CCC(C)(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000062843686 373766875 /nfs/dbraw/zinc/76/68/75/373766875.db2.gz IWWHEOHWRFSJGF-UHFFFAOYSA-N -1 0 278.308 2.594 20 5 CFBDRM O=C(/C=C/C1CCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000492344458 246264334 /nfs/dbraw/zinc/26/43/34/246264334.db2.gz VOPSIRHPKNOQGH-QPJJXVBHSA-N -1 0 262.265 2.595 20 5 CFBDRM C[C@@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000571525637 383702754 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CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000187465569 287346932 /nfs/dbraw/zinc/34/69/32/287346932.db2.gz CMHPVHXEBXFMMU-GXSJLCMTSA-N -1 0 278.308 2.561 20 5 CFBDRM CN(CC(=O)[O-])C(=O)c1cc2ccccc2c2cccnc12 ZINC000178930169 261410179 /nfs/dbraw/zinc/41/01/79/261410179.db2.gz VWFZGTBXRKNYQI-UHFFFAOYSA-N -1 0 294.310 2.545 20 5 CFBDRM O=C([O-])C[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000516021572 270377124 /nfs/dbraw/zinc/37/71/24/270377124.db2.gz WOVUYDLIKHHNFA-SECBINFHSA-N -1 0 298.726 2.939 20 5 CFBDRM Cc1ccnc([N-]c2cc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000286201385 278988294 /nfs/dbraw/zinc/98/82/94/278988294.db2.gz ATJRWFVEVWRTLS-UHFFFAOYSA-N -1 0 273.296 2.575 20 5 CFBDRM CC(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133244451 279025880 /nfs/dbraw/zinc/02/58/80/279025880.db2.gz VOCWEMJFKNGAKW-LBPRGKRZSA-N -1 0 292.335 2.951 20 5 CFBDRM CC(C)C[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000307773454 279215132 /nfs/dbraw/zinc/21/51/32/279215132.db2.gz 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Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000218929205 393759226 /nfs/dbraw/zinc/75/92/26/393759226.db2.gz UUVJJAWDNGBNEW-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM CC[C@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000234105280 393782489 /nfs/dbraw/zinc/78/24/89/393782489.db2.gz UANUHYRYSRMLGK-NSHDSACASA-N -1 0 292.335 2.953 20 5 CFBDRM CN(CCCC(=O)[O-])c1c(Cl)cccc1[N+](=O)[O-] ZINC000416423649 393917764 /nfs/dbraw/zinc/91/77/64/393917764.db2.gz WGOPHMMFYJDNGJ-UHFFFAOYSA-N -1 0 272.688 2.549 20 5 CFBDRM COCc1cc([N+](=O)[O-])ccc1NCCCCCC(=O)[O-] ZINC000416427829 393918506 /nfs/dbraw/zinc/91/85/06/393918506.db2.gz NZAOAMZDSITFPZ-UHFFFAOYSA-N -1 0 296.323 2.798 20 5 CFBDRM Cc1cscc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000120906582 393943499 /nfs/dbraw/zinc/94/34/99/393943499.db2.gz YJUQOHLBRLVFJF-UHFFFAOYSA-N -1 0 278.289 2.923 20 5 CFBDRM Cn1c2cccc(F)c2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000123937620 393990073 /nfs/dbraw/zinc/99/00/73/393990073.db2.gz 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Cc1nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)sc1C ZINC000356313652 155221447 /nfs/dbraw/zinc/22/14/47/155221447.db2.gz OPSXIZBGKBZVDL-UHFFFAOYSA-N -1 0 293.304 2.626 20 5 CFBDRM C[C@@H](c1ccco1)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356338140 155231539 /nfs/dbraw/zinc/23/15/39/155231539.db2.gz KYZOKYTWYVXQEJ-VIFPVBQESA-N -1 0 290.275 2.727 20 5 CFBDRM C[C@@H]1CC[C@H](N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000355315850 296709320 /nfs/dbraw/zinc/70/93/20/296709320.db2.gz KMXQHIZJQRHTQR-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC(C2CCCC2)C1 ZINC000373758519 157028599 /nfs/dbraw/zinc/02/85/99/157028599.db2.gz PDAFTNZZYGAXQV-UHFFFAOYSA-N -1 0 290.319 2.563 20 5 CFBDRM CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000116441825 287005828 /nfs/dbraw/zinc/00/58/28/287005828.db2.gz KJGHHONPXSCQOB-LLVKDONJSA-N -1 0 278.308 2.705 20 5 CFBDRM CC[C@@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280877414 287051635 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C[C@H]1CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000521439993 262374684 /nfs/dbraw/zinc/37/46/84/262374684.db2.gz PTPNWQKNLDHCAV-ZETCQYMHSA-N -1 0 284.699 2.578 20 5 CFBDRM CCCC1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000225831128 270256072 /nfs/dbraw/zinc/25/60/72/270256072.db2.gz MWCKVDLWIPNXJC-UHFFFAOYSA-N -1 0 278.308 2.611 20 5 CFBDRM CC(=O)c1ccc(NCCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424376857 270333219 /nfs/dbraw/zinc/33/32/19/270333219.db2.gz QBGVZZLAOPXTNH-UHFFFAOYSA-N -1 0 294.307 2.710 20 5 CFBDRM CC(C)[C@@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000515654548 270373568 /nfs/dbraw/zinc/37/35/68/270373568.db2.gz WININFZRSXVQMD-JTQLQIEISA-N -1 0 280.324 2.926 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2F)c1 ZINC000516296500 270380727 /nfs/dbraw/zinc/38/07/27/270380727.db2.gz GKIIPPYGDYNXLM-BDAKNGLRSA-N -1 0 268.244 2.596 20 5 CFBDRM C[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408157489 287674536 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CC(C)C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000128632496 280680701 /nfs/dbraw/zinc/68/07/01/280680701.db2.gz WUYBIRXOYTVBME-NSHDSACASA-N -1 0 292.335 2.951 20 5 CFBDRM CN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130267197 280701413 /nfs/dbraw/zinc/70/14/13/280701413.db2.gz QYPXHDMVWAEJFL-UHFFFAOYSA-N -1 0 286.287 2.573 20 5 CFBDRM C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000248483309 281023567 /nfs/dbraw/zinc/02/35/67/281023567.db2.gz CNIXBUZXRRPTKJ-FOGDFJRCSA-N -1 0 292.335 2.855 20 5 CFBDRM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1C1CC1 ZINC000291173741 281222200 /nfs/dbraw/zinc/22/22/00/281222200.db2.gz RXQVSYULPAUOBK-ZDUSSCGKSA-N -1 0 290.319 2.561 20 5 CFBDRM CC1(C)CC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000515851283 281299064 /nfs/dbraw/zinc/29/90/64/281299064.db2.gz BJVQCGJCWZDMJH-JTQLQIEISA-N -1 0 294.307 2.663 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405362940 290029480 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CFBDRM O=C([O-])c1cc(NCC[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000704923842 781126503 /nfs/dbraw/zinc/12/65/03/781126503.db2.gz QPEJNVVGWHAQMU-SECBINFHSA-N -1 0 296.348 2.848 20 5 CFBDRM Cc1cc(N[C@@H]2COC(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000594737315 349484575 /nfs/dbraw/zinc/48/45/75/349484575.db2.gz YQYQLNWMRIOOKW-VIFPVBQESA-N -1 0 294.307 2.581 20 5 CFBDRM COc1cc(NC[C@@H](CC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000594735206 349483744 /nfs/dbraw/zinc/48/37/44/349483744.db2.gz HSYPOYPWZKISNT-SNVBAGLBSA-N -1 0 294.307 2.516 20 5 CFBDRM C[C@@H]1CCC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000594735647 349484090 /nfs/dbraw/zinc/48/40/90/349484090.db2.gz MBVDABOYAMEJKN-MWLCHTKSSA-N -1 0 294.307 2.663 20 5 CFBDRM Cc1cc(NC[C@H](C(=O)[O-])C2CCC2)c(F)cc1[N+](=O)[O-] ZINC000595977996 349773794 /nfs/dbraw/zinc/77/37/94/349773794.db2.gz RHMOEPVSMDVSMN-JTQLQIEISA-N -1 0 296.298 2.955 20 5 CFBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000595978309 349773962 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COC(C)(C)C[C@H](C)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225493969 775480164 /nfs/dbraw/zinc/48/01/64/775480164.db2.gz JUZAOIKTDVWDMY-VIFPVBQESA-N -1 0 269.297 2.883 20 5 CFBDRM C[C@H](Oc1nc(Cl)cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001225562609 775502410 /nfs/dbraw/zinc/50/24/10/775502410.db2.gz JYSYRUDOFWTXGX-ZETCQYMHSA-N -1 0 295.682 2.884 20 5 CFBDRM O=[N+]([O-])c1c([O-])cccc1O[C@@H]1CCCC[C@H]1F ZINC001225620885 775528305 /nfs/dbraw/zinc/52/83/05/775528305.db2.gz XNLSMLVBCRQNBM-PSASIEDQSA-N -1 0 255.245 2.960 20 5 CFBDRM C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccncc1 ZINC001225622931 775528346 /nfs/dbraw/zinc/52/83/46/775528346.db2.gz KHQPKUUCNWYCKW-SECBINFHSA-N -1 0 260.249 2.835 20 5 CFBDRM O=[N+]([O-])c1c([O-])cccc1O[C@@H]1CCc2cccnc21 ZINC001225620392 775528501 /nfs/dbraw/zinc/52/85/01/775528501.db2.gz PQECMBBXVHATKH-LLVKDONJSA-N -1 0 272.260 2.762 20 5 CFBDRM CCOC(=O)[C@@H](CC(C)C)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225621037 775529448 /nfs/dbraw/zinc/52/94/48/775529448.db2.gz 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ZINC001227625099 776248463 /nfs/dbraw/zinc/24/84/63/776248463.db2.gz OXTUGBILJLAPHM-UHFFFAOYSA-N -1 0 285.325 2.524 20 5 CFBDRM CC(C)[C@H](C)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241793 776431731 /nfs/dbraw/zinc/43/17/31/776431731.db2.gz GGQCLEGQZKWQLF-QMMMGPOBSA-N -1 0 277.280 2.667 20 5 CFBDRM C[C@@H](Oc1[n-]c(=O)ncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001228482732 776503372 /nfs/dbraw/zinc/50/33/72/776503372.db2.gz PMYVDQKHGCINDC-SSDOTTSWSA-N -1 0 295.682 2.884 20 5 CFBDRM C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001228609989 776538581 /nfs/dbraw/zinc/53/85/81/776538581.db2.gz LEJXFEXXCMBMMR-SSDOTTSWSA-N -1 0 291.263 2.701 20 5 CFBDRM CCC[C@@H](CC)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228972353 776673991 /nfs/dbraw/zinc/67/39/91/776673991.db2.gz VYBAXUVZAOQJEX-SECBINFHSA-N -1 0 255.270 2.964 20 5 CFBDRM O=[N+]([O-])c1c([O-])cc(O)cc1OC1CCCCC1 ZINC001228972281 776674199 /nfs/dbraw/zinc/67/41/99/776674199.db2.gz VGOMLZRZWKHTEL-UHFFFAOYSA-N -1 0 253.254 2.718 20 5 CFBDRM C[C@@H](Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc12)C1=CC=C[CH]1 ZINC001229365070 776790573 /nfs/dbraw/zinc/79/05/73/776790573.db2.gz PSIWKQUTWKGUNR-SECBINFHSA-N -1 0 298.278 2.711 20 5 CFBDRM CC[C@@H](C)CC[C@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382240 776796707 /nfs/dbraw/zinc/79/67/07/776796707.db2.gz QSUCBPHBWFSPJU-BDAKNGLRSA-N -1 0 283.328 2.992 20 5 CFBDRM C[C@H](Oc1cc2n[nH]cc2cc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001230602224 777024072 /nfs/dbraw/zinc/02/40/72/777024072.db2.gz WVRGXTXLLIHQNB-VIFPVBQESA-N -1 0 270.268 2.939 20 5 CFBDRM CCC[C@H](CC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231071569 777131760 /nfs/dbraw/zinc/13/17/60/777131760.db2.gz IANJVPLLNXKRCD-LURJTMIESA-N -1 0 275.692 2.701 20 5 CFBDRM O=c1nc(O[C@@H]2CC3CCC2CC3)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231071787 777132080 /nfs/dbraw/zinc/13/20/80/777132080.db2.gz LCRVLPFGZVTGMT-KAVNDROISA-N -1 0 299.714 2.701 20 5 CFBDRM C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC001231075462 777134438 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O=C([O-])C[C@@H](CNc1sccc1[N+](=O)[O-])C1CC1 ZINC000594735296 349483938 /nfs/dbraw/zinc/48/39/38/349483938.db2.gz KMYPVAVUMAYQDC-QMMMGPOBSA-N -1 0 270.310 2.569 20 5 CFBDRM CCSCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000311492221 290015471 /nfs/dbraw/zinc/01/54/71/290015471.db2.gz NSYMSHOQDMBIFY-UHFFFAOYSA-N -1 0 284.337 2.848 20 5 CFBDRM CC[C@@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2F)cc1C ZINC000413222155 529437105 /nfs/dbraw/zinc/43/71/05/529437105.db2.gz KDCRRRKLDNEFAY-MRVPVSSYSA-N -1 0 293.302 2.770 20 5 CFBDRM COc1cccc([N+](=O)[O-])c1NCCC(C)(C)C(=O)[O-] ZINC000595968641 349772832 /nfs/dbraw/zinc/77/28/32/349772832.db2.gz JKMQAWLHBQBOLI-UHFFFAOYSA-N -1 0 282.296 2.516 20 5 CFBDRM O=C([O-])[C@@H](CNc1sccc1[N+](=O)[O-])C1CCC1 ZINC000595977143 349773907 /nfs/dbraw/zinc/77/39/07/349773907.db2.gz FQWFBZRFNZSISR-QMMMGPOBSA-N -1 0 270.310 2.569 20 5 CFBDRM O=c1[nH]ccc(NC[C@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000596255521 349842931 /nfs/dbraw/zinc/84/29/31/349842931.db2.gz 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ZINC000087507362 347496173 /nfs/dbraw/zinc/49/61/73/347496173.db2.gz ISDYHCSHGBYDAO-LLVKDONJSA-N -1 0 266.297 2.672 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000094659069 347696407 /nfs/dbraw/zinc/69/64/07/347696407.db2.gz XYNPLXHRBKHLGL-LLVKDONJSA-N -1 0 278.308 2.594 20 5 CFBDRM Cc1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000097066413 347706016 /nfs/dbraw/zinc/70/60/16/347706016.db2.gz KCCVYDVWKSGILN-KOLCDFICSA-N -1 0 264.281 2.568 20 5 CFBDRM CCOc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000097065762 347706037 /nfs/dbraw/zinc/70/60/37/347706037.db2.gz OENHFPNFIBJJSW-VHSXEESVSA-N -1 0 294.307 2.659 20 5 CFBDRM CCOc1cccc(SCCC(=O)[O-])c1[N+](=O)[O-] ZINC000127195142 347840563 /nfs/dbraw/zinc/84/05/63/347840563.db2.gz WTEHPNAXQLDTMX-UHFFFAOYSA-N -1 0 271.294 2.560 20 5 CFBDRM C[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)CC(=O)[O-] ZINC000147515732 347947855 /nfs/dbraw/zinc/94/78/55/347947855.db2.gz NAZRULQUMFCXAR-VIFPVBQESA-N -1 0 289.291 2.666 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MRJGDEBUEOFKFJ-UHFFFAOYSA-N -1 0 280.667 2.933 20 5 CFBDRM CC(C)([N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000175150328 624929624 /nfs/dbraw/zinc/92/96/24/624929624.db2.gz JLWBOEJYSRPZRR-UHFFFAOYSA-N -1 0 276.214 2.508 20 5 CFBDRM O=C(OCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000768185790 627324146 /nfs/dbraw/zinc/32/41/46/627324146.db2.gz CPLHPOASHISRJJ-UHFFFAOYSA-N -1 0 296.229 2.601 20 5 CFBDRM Cc1cc(Cl)nc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000805965996 629366119 /nfs/dbraw/zinc/36/61/19/629366119.db2.gz ATGZPIFVJIVAPP-UHFFFAOYSA-N -1 0 295.682 2.637 20 5 CFBDRM O=C(O[C@@H](C1CC1)C1CCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000836042119 630232022 /nfs/dbraw/zinc/23/20/22/630232022.db2.gz IJPALHPFPIIRSY-GFCCVEGCSA-N -1 0 264.281 2.658 20 5 CFBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000837331934 631002141 /nfs/dbraw/zinc/00/21/41/631002141.db2.gz CCXJQVZOBJUKKE-UHFFFAOYSA-N -1 0 279.292 2.924 20 5 CFBDRM CSCC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837705555 631112672 /nfs/dbraw/zinc/11/26/72/631112672.db2.gz VBYGSFFGPDFFSR-UHFFFAOYSA-N -1 0 299.348 2.733 20 5 CFBDRM C[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C(C)(F)F ZINC000837747513 631122636 /nfs/dbraw/zinc/12/26/36/631122636.db2.gz DMQRCVMQZGGZCR-SSDOTTSWSA-N -1 0 289.234 2.635 20 5 CFBDRM Cc1cc(NC[C@H]2CCC=CO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844208368 632134547 /nfs/dbraw/zinc/13/45/47/632134547.db2.gz KLUJXWBOZPABBY-LLVKDONJSA-N -1 0 292.291 2.706 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1Cl ZINC000092545856 650922242 /nfs/dbraw/zinc/92/22/42/650922242.db2.gz KOIZFXMJFRVQJC-UHFFFAOYSA-N -1 0 293.666 2.601 20 5 CFBDRM COc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000136177329 646746146 /nfs/dbraw/zinc/74/61/46/646746146.db2.gz ZONRHIUXIHNUHD-UHFFFAOYSA-N -1 0 289.243 2.528 20 5 CFBDRM O=C(NC[C@]12C[C@H]1CCCC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000927434957 648777772 /nfs/dbraw/zinc/77/77/72/648777772.db2.gz MTWMGPUVWMZHJP-BMIGLBTASA-N -1 0 290.319 2.611 20 5 CFBDRM O=C(NC[C@@]12C[C@@H]1CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000927457671 648782874 /nfs/dbraw/zinc/78/28/74/648782874.db2.gz YDIUAKYFCWRYPC-XHDPSFHLSA-N -1 0 290.319 2.611 20 5 CFBDRM CC(C)(/C=C\Cl)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000928933286 648967075 /nfs/dbraw/zinc/96/70/75/648967075.db2.gz KIPMGLNGEOJWCY-ARJAWSKDSA-N -1 0 284.699 2.561 20 5 CFBDRM O=C([O-])[C@@H](CNc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000405268459 775199531 /nfs/dbraw/zinc/19/95/31/775199531.db2.gz NFTKIOIWWWIXHQ-SNVBAGLBSA-N -1 0 264.281 2.508 20 5 CFBDRM C[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1cccnc1F ZINC001225490784 775478163 /nfs/dbraw/zinc/47/81/63/775478163.db2.gz KNLAIYUCHHYAOT-QMMMGPOBSA-N -1 0 278.239 2.975 20 5 CFBDRM C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC001225489041 775479105 /nfs/dbraw/zinc/47/91/05/775479105.db2.gz PAQPFVLTZURTKK-RXMQYKEDSA-N -1 0 251.160 2.630 20 5 CFBDRM CC1(C)C[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])CCO1 ZINC001225619767 775526543 /nfs/dbraw/zinc/52/65/43/775526543.db2.gz ILZTYRFLRLXKTL-VIFPVBQESA-N -1 0 267.281 2.637 20 5 CFBDRM CCC(CC)[C@H](CC)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226331911 775782169 /nfs/dbraw/zinc/78/21/69/775782169.db2.gz QJDPUUCWRWDKPQ-JTQLQIEISA-N -1 0 269.301 2.684 20 5 CFBDRM CC(C)CCC[C@H](C)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226331260 775782433 /nfs/dbraw/zinc/78/24/33/775782433.db2.gz JLTBOTHAXRDJHY-VIFPVBQESA-N -1 0 269.301 2.684 20 5 CFBDRM CC[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1F ZINC001226336225 775784264 /nfs/dbraw/zinc/78/42/64/775784264.db2.gz OKHIYUUHKLKXND-LLVKDONJSA-N -1 0 293.254 2.760 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1csc(Cl)n1 ZINC000692697595 776021183 /nfs/dbraw/zinc/02/11/83/776021183.db2.gz NNKCBGBTOLYFSS-UHFFFAOYSA-N -1 0 299.695 2.663 20 5 CFBDRM COC1=CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001227743742 776276002 /nfs/dbraw/zinc/27/60/02/776276002.db2.gz XEFUXDMLFXKZSL-LLVKDONJSA-N -1 0 289.291 2.933 20 5 CFBDRM Cc1cc2nc3nc(=O)[n-]c(OC4CCC4)c3nc2cc1C ZINC001228687292 776567517 /nfs/dbraw/zinc/56/75/17/776567517.db2.gz VRASDJQXIKQLMM-UHFFFAOYSA-N -1 0 296.330 2.827 20 5 CFBDRM COC(=O)c1cc(O[C@H](C)C2=CC=C[CH]2)cc([N+](=O)[O-])c1 ZINC001228771267 776604679 /nfs/dbraw/zinc/60/46/79/776604679.db2.gz PFGLMMWFIKHEGY-SNVBAGLBSA-N -1 0 288.279 2.849 20 5 CFBDRM CC[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228860298 776636692 /nfs/dbraw/zinc/63/66/92/776636692.db2.gz SQSGAFIROMLCHU-RXMQYKEDSA-N -1 0 280.202 2.892 20 5 CFBDRM CC(C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228862570 776638622 /nfs/dbraw/zinc/63/86/22/776638622.db2.gz OKSSRGUTKAMVSU-UHFFFAOYSA-N -1 0 266.175 2.501 20 5 CFBDRM CC(C)[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001228972567 776674436 /nfs/dbraw/zinc/67/44/36/776674436.db2.gz YVSHQQMIHNKNAB-SNVBAGLBSA-N -1 0 295.213 2.972 20 5 CFBDRM CC[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001229376401 776795372 /nfs/dbraw/zinc/79/53/72/776795372.db2.gz UKGLBUQJTLEMKH-LLVKDONJSA-N -1 0 289.291 2.929 20 5 CFBDRM Cc1ccccc1[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229378715 776795791 /nfs/dbraw/zinc/79/57/91/776795791.db2.gz JKSNKOUOKQHLAP-SECBINFHSA-N -1 0 289.291 2.847 20 5 CFBDRM Cc1nc(OC2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377570 776795840 /nfs/dbraw/zinc/79/58/40/776795840.db2.gz CRDXEHGZVZFCBQ-HTQZYQBOSA-N -1 0 281.312 2.602 20 5 CFBDRM CCC(CC)[C@@H](CC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382069 776796607 /nfs/dbraw/zinc/79/66/07/776796607.db2.gz PPKNUTJJONMSSP-SNVBAGLBSA-N -1 0 283.328 2.992 20 5 CFBDRM Cc1nc(O[C@@H]2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382271 776796918 /nfs/dbraw/zinc/79/69/18/776796918.db2.gz QWIMJUYWVMRWEC-KHQFGBGNSA-N -1 0 281.312 2.602 20 5 CFBDRM CCCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001141462038 776966348 /nfs/dbraw/zinc/96/63/48/776966348.db2.gz GNEGVFKKYHXGMI-SNVBAGLBSA-N -1 0 280.324 2.999 20 5 CFBDRM O=c1nc(O[C@H]2CC3CCC2CC3)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231071788 777131273 /nfs/dbraw/zinc/13/12/73/777131273.db2.gz LCRVLPFGZVTGMT-RRQHEKLDSA-N -1 0 299.714 2.701 20 5 CFBDRM CCC[C@@H](CC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231071570 777131508 /nfs/dbraw/zinc/13/15/08/777131508.db2.gz IANJVPLLNXKRCD-ZCFIWIBFSA-N -1 0 275.692 2.701 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCC(F)(F)C2)[n-]1 ZINC001231262750 777179941 /nfs/dbraw/zinc/17/99/41/777179941.db2.gz GXHUHLIPESHHAT-SSDOTTSWSA-N -1 0 274.223 2.570 20 5 CFBDRM CCCCOC[C@@H](C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231261278 777180482 /nfs/dbraw/zinc/18/04/82/777180482.db2.gz ZVXUQGOLQWSITE-SNVBAGLBSA-N -1 0 284.312 2.588 20 5 CFBDRM O=[N+]([O-])c1cc(Br)cc(O)c1OC1CC1 ZINC001234878173 778305809 /nfs/dbraw/zinc/30/58/09/778305809.db2.gz SIDPAPHKMATZFJ-UHFFFAOYSA-N -1 0 274.070 2.604 20 5 CFBDRM O=C([O-])C[C@@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594736602 349484796 /nfs/dbraw/zinc/48/47/96/349484796.db2.gz SXXQVFKRLARRIG-JTQLQIEISA-N -1 0 264.281 2.508 20 5 CFBDRM CCC(CC)(CNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000158481419 282122598 /nfs/dbraw/zinc/12/25/98/282122598.db2.gz WGUWSIWIRNWTFM-UHFFFAOYSA-N -1 0 266.297 2.898 20 5 CFBDRM O=C([O-])Cc1ccc(NCC2=CCCC2)c([N+](=O)[O-])c1 ZINC000595278279 349589810 /nfs/dbraw/zinc/58/98/10/349589810.db2.gz XNJFHLGFWXCYPM-UHFFFAOYSA-N -1 0 276.292 2.744 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1NC[C@@H](C(=O)[O-])C1CCC1 ZINC000595977939 349773607 /nfs/dbraw/zinc/77/36/07/349773607.db2.gz PKTFJUNTQZWGEL-LLVKDONJSA-N -1 0 278.308 2.816 20 5 CFBDRM COc1cccc(NC[C@@H](C(=O)[O-])C2CCC2)c1[N+](=O)[O-] ZINC000595977458 349773647 /nfs/dbraw/zinc/77/36/47/349773647.db2.gz JSAPJGGOSXQMON-SNVBAGLBSA-N -1 0 294.307 2.516 20 5 CFBDRM O=C([O-])c1cc(N(CC2CC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000071029518 346919834 /nfs/dbraw/zinc/91/98/34/346919834.db2.gz OYHMHYRHQWZCFU-UHFFFAOYSA-N -1 0 290.319 2.919 20 5 CFBDRM CC(C)(C)CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596134514 349803946 /nfs/dbraw/zinc/80/39/46/349803946.db2.gz KSYXYSNPPPXTLJ-UHFFFAOYSA-N -1 0 253.302 2.934 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C)c2nccs2)[n-]1 ZINC001231264421 781924684 /nfs/dbraw/zinc/92/46/84/781924684.db2.gz QQDILVCRKBCGHJ-ZETCQYMHSA-N -1 0 281.293 2.600 20 5 CFBDRM CCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000273241652 192084070 /nfs/dbraw/zinc/08/40/70/192084070.db2.gz UJHHMAFICHAFQS-VIFPVBQESA-N -1 0 266.297 2.561 20 5 CFBDRM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273255559 192090077 /nfs/dbraw/zinc/09/00/77/192090077.db2.gz BHEOQMONXYFFNP-CYBMUJFWSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@H](c1ccco1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157534874 232238484 /nfs/dbraw/zinc/23/84/84/232238484.db2.gz NMHIQZQDQNRYHO-SECBINFHSA-N -1 0 290.275 2.727 20 5 CFBDRM C[C@@H](c1ccco1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000162702679 232254575 /nfs/dbraw/zinc/25/45/75/232254575.db2.gz NCLKQMCXNQNJRA-VIFPVBQESA-N -1 0 290.275 2.727 20 5 CFBDRM CCC[C@H](C)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273272084 192095252 /nfs/dbraw/zinc/09/52/52/192095252.db2.gz GTZUCQNTNUIQCM-VIFPVBQESA-N -1 0 266.297 2.561 20 5 CFBDRM Cc1cccc2c1N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000179535880 232398296 /nfs/dbraw/zinc/39/82/96/232398296.db2.gz CAOKOXBVFDCFTQ-UHFFFAOYSA-N -1 0 298.298 2.812 20 5 CFBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000092540215 347631490 /nfs/dbraw/zinc/63/14/90/347631490.db2.gz GXXUQEJCPWNNND-AOOOYVTPSA-N -1 0 282.365 2.626 20 5 CFBDRM Cc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000092550038 347631731 /nfs/dbraw/zinc/63/17/31/347631731.db2.gz SQJQLVAFMRMLIY-UHFFFAOYSA-N -1 0 290.275 2.773 20 5 CFBDRM CC(C)[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000093869078 347687126 /nfs/dbraw/zinc/68/71/26/347687126.db2.gz KVDYCYHUNQFOGC-CQSZACIVSA-N -1 0 296.392 2.874 20 5 CFBDRM Cc1cc(NC2(CC(=O)[O-])CCC2)ccc1[N+](=O)[O-] ZINC000094291393 347694789 /nfs/dbraw/zinc/69/47/89/347694789.db2.gz MPDBWFKQDXICEM-UHFFFAOYSA-N -1 0 264.281 2.713 20 5 CFBDRM CCOc1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000097065771 347706214 /nfs/dbraw/zinc/70/62/14/347706214.db2.gz OENHFPNFIBJJSW-ZJUUUORDSA-N -1 0 294.307 2.659 20 5 CFBDRM CCOc1cc(S[C@H](CC)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000097824504 347710174 /nfs/dbraw/zinc/71/01/74/347710174.db2.gz SHIILLUWLXFROK-LLVKDONJSA-N -1 0 285.321 2.949 20 5 CFBDRM CC[C@@H](CSC)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000124081154 347822945 /nfs/dbraw/zinc/82/29/45/347822945.db2.gz RJCIOSUQNKZKKA-VIFPVBQESA-N -1 0 298.364 2.871 20 5 CFBDRM COc1cccc(NCC2(C(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC000134890266 347902408 /nfs/dbraw/zinc/90/24/08/347902408.db2.gz BWTZPYOITYEQKI-UHFFFAOYSA-N -1 0 294.307 2.660 20 5 CFBDRM O=C([O-])C1(CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000135349220 347906386 /nfs/dbraw/zinc/90/63/86/347906386.db2.gz OKBYYSVXTDFTFQ-UHFFFAOYSA-N -1 0 264.281 2.652 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000157209001 347999034 /nfs/dbraw/zinc/99/90/34/347999034.db2.gz YABBIGLJKMBESL-CQSZACIVSA-N -1 0 278.308 2.594 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1NCCCCC(=O)[O-] ZINC000158624996 348008049 /nfs/dbraw/zinc/00/80/49/348008049.db2.gz VPKJKMXCPNYWNH-UHFFFAOYSA-N -1 0 252.270 2.570 20 5 CFBDRM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1O ZINC000159431563 348012501 /nfs/dbraw/zinc/01/25/01/348012501.db2.gz AICUFDGRAPFEND-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CCC1 ZINC000159401693 348012535 /nfs/dbraw/zinc/01/25/35/348012535.db2.gz JJAMFAXFDKLUKO-MRVPVSSYSA-N -1 0 264.281 2.894 20 5 CFBDRM CC(C)(C)[C@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000160215743 348017195 /nfs/dbraw/zinc/01/71/95/348017195.db2.gz MRRFFRWWPXUQTK-JTQLQIEISA-N -1 0 293.323 2.560 20 5 CFBDRM CCC1(C)CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162420609 348030021 /nfs/dbraw/zinc/03/00/21/348030021.db2.gz JNPNZMJZHNGGFT-UHFFFAOYSA-N -1 0 293.323 2.705 20 5 CFBDRM CC[C@@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166780580 348043210 /nfs/dbraw/zinc/04/32/10/348043210.db2.gz MBAPGABBSZCKFA-SNVBAGLBSA-N -1 0 293.323 2.705 20 5 CFBDRM CC1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000233040682 348215646 /nfs/dbraw/zinc/21/56/46/348215646.db2.gz JOIXXCORVBPVDT-UHFFFAOYSA-N -1 0 250.254 2.505 20 5 CFBDRM CCC1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000232952278 348215762 /nfs/dbraw/zinc/21/57/62/348215762.db2.gz STBCYLMVTSICLD-UHFFFAOYSA-N -1 0 264.281 2.895 20 5 CFBDRM Cc1cccc(NC[C@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000232741238 348213134 /nfs/dbraw/zinc/21/31/34/348213134.db2.gz XWXURXWPRKILGL-JTQLQIEISA-N -1 0 266.297 2.672 20 5 CFBDRM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000589651714 348848902 /nfs/dbraw/zinc/84/89/02/348848902.db2.gz FCERBQRCZBOMLU-CYBMUJFWSA-N -1 0 290.319 2.561 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ncccc1[O-] ZINC000590549426 348908464 /nfs/dbraw/zinc/90/84/64/348908464.db2.gz GNCMNQNPBVAAKT-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@H](C2CCC2)C1 ZINC000591237984 349001923 /nfs/dbraw/zinc/00/19/23/349001923.db2.gz NJXLQIXWXYOBIY-NSHDSACASA-N -1 0 290.319 2.563 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000591125513 348989805 /nfs/dbraw/zinc/98/98/05/348989805.db2.gz HYEDQNUHBWOISS-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM CC(C)C[C@@H](CNc1sccc1[N+](=O)[O-])C(=O)[O-] ZINC000591687130 349038213 /nfs/dbraw/zinc/03/82/13/349038213.db2.gz ZYSAJKQXYPGFMA-QMMMGPOBSA-N -1 0 272.326 2.815 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](C3CC3)C2)c1 ZINC000592976139 349179282 /nfs/dbraw/zinc/17/92/82/349179282.db2.gz MNJCOXGAHIADQD-GFCCVEGCSA-N -1 0 290.319 2.919 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CC2CCCC2)n1 ZINC000592970871 349179468 /nfs/dbraw/zinc/17/94/68/349179468.db2.gz KARYZBPBYPIPRI-UHFFFAOYSA-N -1 0 293.323 2.623 20 5 CFBDRM CC[C@@H](C)[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976471 349179666 /nfs/dbraw/zinc/17/96/66/349179666.db2.gz PJTYAQYKFKYIOC-APPZFPTMSA-N -1 0 281.312 2.843 20 5 CFBDRM CC(C)[C@@]1(C(=O)[O-])CCN(c2sccc2[N+](=O)[O-])C1 ZINC000592982707 349180402 /nfs/dbraw/zinc/18/04/02/349180402.db2.gz SFMKHZCMMGBHNK-GFCCVEGCSA-N -1 0 284.337 2.593 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCCC[C@H]2F)n1 ZINC000592980204 349180479 /nfs/dbraw/zinc/18/04/79/349180479.db2.gz OPBLPPILRMRQEL-NXEZZACHSA-N -1 0 297.286 2.689 20 5 CFBDRM CC(C)C1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000592778683 349165882 /nfs/dbraw/zinc/16/58/82/349165882.db2.gz GFHAFKIJJBMFGJ-UHFFFAOYSA-N -1 0 298.726 2.682 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000597443731 350098069 /nfs/dbraw/zinc/09/80/69/350098069.db2.gz WMDBKHLOZUESJO-JMJZKYOTSA-N -1 0 276.292 2.675 20 5 CFBDRM CC[C@H](C)N(CC)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000597857841 350143947 /nfs/dbraw/zinc/14/39/47/350143947.db2.gz UGOMJDDRWQRFAP-VIFPVBQESA-N -1 0 266.297 2.561 20 5 CFBDRM CC(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)(C1CC1)C1CC1 ZINC000598382272 350253826 /nfs/dbraw/zinc/25/38/26/350253826.db2.gz XKKDWPGBMZPSLV-UHFFFAOYSA-N -1 0 290.319 2.609 20 5 CFBDRM O=C([O-])c1ccnc(NC[C@@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000600679214 350596540 /nfs/dbraw/zinc/59/65/40/350596540.db2.gz STHIQXTVNCEAQE-VIFPVBQESA-N -1 0 291.307 2.680 20 5 CFBDRM C[C@H]1CCc2[n-]n(-c3cccc([N+](=O)[O-])c3)c(=O)c2C1 ZINC000601931287 350805952 /nfs/dbraw/zinc/80/59/52/350805952.db2.gz HIUDXPBUONTKLE-JOYOIKCWSA-N -1 0 273.292 2.734 20 5 CFBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cn1)CCCCCC2 ZINC000601933982 350806818 /nfs/dbraw/zinc/80/68/18/350806818.db2.gz VZUVVXNZCJHYPC-LLVKDONJSA-N -1 0 288.307 2.663 20 5 CFBDRM O=C(Nc1ncc(Cl)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535058 351705078 /nfs/dbraw/zinc/70/50/78/351705078.db2.gz NJVWHDWQNDKIFL-UHFFFAOYSA-N -1 0 299.695 2.663 20 5 CFBDRM Cc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000611289885 351664654 /nfs/dbraw/zinc/66/46/54/351664654.db2.gz FRNUIODUFDIDQE-UHFFFAOYSA-N -1 0 298.298 2.812 20 5 CFBDRM Cc1ccncc1[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000611293148 351665552 /nfs/dbraw/zinc/66/55/52/351665552.db2.gz RRJCATLWMOCPIW-LLVKDONJSA-N -1 0 287.319 2.855 20 5 CFBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000611294630 351665598 /nfs/dbraw/zinc/66/55/98/351665598.db2.gz CAXQTVFZKBZGPS-QMMMGPOBSA-N -1 0 276.248 2.636 20 5 CFBDRM Cc1cccc2c1CCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000619259418 352988127 /nfs/dbraw/zinc/98/81/27/352988127.db2.gz XYXOOWXDGNHELZ-UHFFFAOYSA-N -1 0 298.298 2.812 20 5 CFBDRM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157520766 188322590 /nfs/dbraw/zinc/32/25/90/188322590.db2.gz GMWLFDKEXYGLTE-GXFFZTMASA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000160347497 188467139 /nfs/dbraw/zinc/46/71/39/188467139.db2.gz NDBOMMFOWNPHKY-FOGDFJRCSA-N -1 0 292.335 2.855 20 5 CFBDRM CC(C)C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164838692 188627501 /nfs/dbraw/zinc/62/75/01/188627501.db2.gz FLAZOOSFERJASD-LLVKDONJSA-N -1 0 292.335 2.809 20 5 CFBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1[C@@H]2CCC[C@H]12 ZINC000180789178 189275666 /nfs/dbraw/zinc/27/56/66/189275666.db2.gz YEYXAEZIOHHYOE-OQJHAAMPSA-N -1 0 296.710 2.938 20 5 CFBDRM Cc1cccc(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000432497918 240017154 /nfs/dbraw/zinc/01/71/54/240017154.db2.gz SNJRHQWHGDKGLZ-UHFFFAOYSA-N -1 0 286.287 2.885 20 5 CFBDRM O=C(Nc1cc(C2CC2)ccn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436617267 240475151 /nfs/dbraw/zinc/47/51/51/240475151.db2.gz NFFKADBAHMTZBM-UHFFFAOYSA-N -1 0 299.286 2.825 20 5 CFBDRM C[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436671349 240485033 /nfs/dbraw/zinc/48/50/33/240485033.db2.gz KICLIEJIVFVTNY-NXEZZACHSA-N -1 0 278.308 2.609 20 5 CFBDRM CC(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000444519494 241145084 /nfs/dbraw/zinc/14/50/84/241145084.db2.gz MCEOGBUSOQLARU-NSHDSACASA-N -1 0 292.335 2.809 20 5 CFBDRM C[C@@H](N=c1[n-]c(C2CCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000450422277 242410916 /nfs/dbraw/zinc/41/09/16/242410916.db2.gz MUEJLFORXFGLJP-SECBINFHSA-N -1 0 288.307 2.840 20 5 CFBDRM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000330773280 203217595 /nfs/dbraw/zinc/21/75/95/203217595.db2.gz FHBMCZLRTAJZSX-MWLCHTKSSA-N -1 0 278.308 2.561 20 5 CFBDRM O=C(Nc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000010493211 371909213 /nfs/dbraw/zinc/90/92/13/371909213.db2.gz AJEMCDXMOJORLK-UHFFFAOYSA-N -1 0 294.213 2.831 20 5 CFBDRM C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000030015325 372389555 /nfs/dbraw/zinc/38/95/55/372389555.db2.gz DQQRWVNQSGARDD-KOLCDFICSA-N -1 0 278.308 2.609 20 5 CFBDRM COc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000234949082 220228467 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C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119032012 376338571 /nfs/dbraw/zinc/33/85/71/376338571.db2.gz NISVNLZNPVEJRH-NXEZZACHSA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119035113 376340533 /nfs/dbraw/zinc/34/05/33/376340533.db2.gz NYINEFRNMMKKFN-JQWIXIFHSA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C)C1 ZINC000119408717 376409918 /nfs/dbraw/zinc/40/99/18/376409918.db2.gz HQULAICAOPQWFL-QWRGUYRKSA-N -1 0 292.335 2.809 20 5 CFBDRM COc1ccc([N+](=O)[O-])c(NCCCCCC(=O)[O-])c1 ZINC000133715425 377951120 /nfs/dbraw/zinc/95/11/20/377951120.db2.gz IXYIAXGQSIQBDW-UHFFFAOYSA-N -1 0 282.296 2.660 20 5 CFBDRM CC(C)[C@@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000136639498 378204056 /nfs/dbraw/zinc/20/40/56/378204056.db2.gz IWEGPEVLERGFLJ-SNVBAGLBSA-N -1 0 292.335 2.950 20 5 CFBDRM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331243515 378656635 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394027922 /nfs/dbraw/zinc/02/79/22/394027922.db2.gz QDMVHKHKAZOHPJ-JTQLQIEISA-N -1 0 292.335 2.809 20 5 CFBDRM C[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436877709 394031784 /nfs/dbraw/zinc/03/17/84/394031784.db2.gz QIKJOMMBFBNSEF-NXEZZACHSA-N -1 0 278.308 2.561 20 5 CFBDRM O=[N+]([O-])c1cc(-c2nc3c(cccc3F)[nH]2)ccc1[O-] ZINC000154745472 394301644 /nfs/dbraw/zinc/30/16/44/394301644.db2.gz VIGCVJHFNWXOFY-UHFFFAOYSA-N -1 0 273.223 2.983 20 5 CFBDRM Cc1nc(C)c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000155954624 394326486 /nfs/dbraw/zinc/32/64/86/394326486.db2.gz BQAHWXVSHSLLPR-UHFFFAOYSA-N -1 0 293.304 2.626 20 5 CFBDRM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000155517746 296639464 /nfs/dbraw/zinc/63/94/64/296639464.db2.gz ATQMSPXCZKMDAY-NXEZZACHSA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356593041 155311844 /nfs/dbraw/zinc/31/18/44/155311844.db2.gz KJCUNHGTUKZPLT-PWSUYJOCSA-N -1 0 292.335 2.999 20 5 CFBDRM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356625633 155319614 /nfs/dbraw/zinc/31/96/14/155319614.db2.gz ZSUMQCPSRDQKNQ-NXEZZACHSA-N -1 0 280.324 2.855 20 5 CFBDRM CCc1cnc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])s1 ZINC000343161749 154129212 /nfs/dbraw/zinc/12/92/12/154129212.db2.gz PSPNRIAKVVMZIC-UHFFFAOYSA-N -1 0 293.304 2.572 20 5 CFBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000355497927 155025312 /nfs/dbraw/zinc/02/53/12/155025312.db2.gz CKERFFVUZJHRQF-SNVBAGLBSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000408161886 157383577 /nfs/dbraw/zinc/38/35/77/157383577.db2.gz QRCWGVKVXRSNCO-QWRGUYRKSA-N -1 0 290.319 2.563 20 5 CFBDRM C[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000300292808 300071977 /nfs/dbraw/zinc/07/19/77/300071977.db2.gz FBCZOPIMQAITMS-MGCOHNPYSA-N -1 0 278.308 2.609 20 5 CFBDRM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000456823256 287110368 /nfs/dbraw/zinc/11/03/68/287110368.db2.gz TZQRKAMEUISPTH-WDEREUQCSA-N -1 0 292.335 2.951 20 5 CFBDRM CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000029468596 171599582 /nfs/dbraw/zinc/59/95/82/171599582.db2.gz CAFYNKGEFQMGKE-UHFFFAOYSA-N -1 0 252.270 2.819 20 5 CFBDRM Cc1cc([N+](=O)[O-])ccc1NCCCCCC(=O)[O-] ZINC000036950000 172824730 /nfs/dbraw/zinc/82/47/30/172824730.db2.gz IZTBVAOFGFIMDX-UHFFFAOYSA-N -1 0 266.297 2.960 20 5 CFBDRM O=C([O-])CCSc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037415617 173192603 /nfs/dbraw/zinc/19/26/03/173192603.db2.gz ZFHUGHYEIKKUQW-UHFFFAOYSA-N -1 0 278.289 2.710 20 5 CFBDRM Cc1cc([N+](=O)[O-])ccc1NC1CCC(C(=O)[O-])CC1 ZINC000037561784 173272431 /nfs/dbraw/zinc/27/24/31/173272431.db2.gz STGYTHLOIMHRGY-UHFFFAOYSA-N -1 0 278.308 2.959 20 5 CFBDRM CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000043441784 175046321 /nfs/dbraw/zinc/04/63/21/175046321.db2.gz XFUVIHAEJHEBQO-NSHDSACASA-N -1 0 252.270 2.506 20 5 CFBDRM CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000044367972 175168155 /nfs/dbraw/zinc/16/81/55/175168155.db2.gz AIWCJEKGHNRQNO-JTQLQIEISA-N -1 0 250.254 2.503 20 5 CFBDRM Cc1nc(-c2ccccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000044732052 175240769 /nfs/dbraw/zinc/24/07/69/175240769.db2.gz WRDSPJWWOMHYSW-UHFFFAOYSA-N -1 0 264.262 2.725 20 5 CFBDRM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000187396722 287360878 /nfs/dbraw/zinc/36/08/78/287360878.db2.gz DJUSFNAIHJWMKL-BXKDBHETSA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187470090 287361234 /nfs/dbraw/zinc/36/12/34/287361234.db2.gz VISDIHLASRXEFJ-BXKDBHETSA-N -1 0 278.308 2.561 20 5 CFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCC2(CCC2)C1 ZINC000367589788 304500955 /nfs/dbraw/zinc/50/09/55/304500955.db2.gz QQHGYPFXVYHHHF-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM CC(C)(C)C[C@@H](O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000232496017 270261638 /nfs/dbraw/zinc/26/16/38/270261638.db2.gz YQDKEQBHWXYRJT-SNVBAGLBSA-N -1 0 296.323 2.502 20 5 CFBDRM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000078722060 288207318 /nfs/dbraw/zinc/20/73/18/288207318.db2.gz ATSRIKYPVKUXCC-JQWIXIFHSA-N -1 0 292.335 2.999 20 5 CFBDRM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436888752 288225029 /nfs/dbraw/zinc/22/50/29/288225029.db2.gz OPCQAOKYUWLRMK-CABZTGNLSA-N -1 0 278.308 2.609 20 5 CFBDRM CC(C)[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1(C)C ZINC000293768887 280469866 /nfs/dbraw/zinc/46/98/66/280469866.db2.gz DHNVVCWNCDGTNX-CYBMUJFWSA-N -1 0 292.335 2.807 20 5 CFBDRM C[C@H]1Cc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000136241307 280781490 /nfs/dbraw/zinc/78/14/90/280781490.db2.gz HQGOOHFASAFLLT-JTQLQIEISA-N -1 0 298.298 2.892 20 5 CFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000163976070 280808290 /nfs/dbraw/zinc/80/82/90/280808290.db2.gz ZZZAAGATKVRHTG-UHFFFAOYSA-N -1 0 284.271 2.503 20 5 CFBDRM Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000228071298 280936083 /nfs/dbraw/zinc/93/60/83/280936083.db2.gz KLBABUKRXNDBGL-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC000253076816 281078933 /nfs/dbraw/zinc/07/89/33/281078933.db2.gz ROEPKEPYISRZPG-NXEZZACHSA-N -1 0 278.308 2.775 20 5 CFBDRM CC1(C)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000232782885 281085935 /nfs/dbraw/zinc/08/59/35/281085935.db2.gz JIOPJYVRTRBYMQ-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331226695 288350188 /nfs/dbraw/zinc/35/01/88/288350188.db2.gz FPCBYBVFDDHGGY-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](CC(=O)[O-])C1 ZINC000157207801 289951243 /nfs/dbraw/zinc/95/12/43/289951243.db2.gz VQORMEVEEIPWBW-NSHDSACASA-N -1 0 278.308 2.594 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC=CC12CCCC2 ZINC000827900405 782053937 /nfs/dbraw/zinc/05/39/37/782053937.db2.gz MLQPCCXBRFOHSK-UHFFFAOYSA-N -1 0 288.303 2.625 20 5 CFBDRM CO[C@@H]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000563889286 290181613 /nfs/dbraw/zinc/18/16/13/290181613.db2.gz OZJUXDIWTZLCNM-TVQRCGJNSA-N -1 0 294.307 2.520 20 5 CFBDRM C[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000189466534 299870259 /nfs/dbraw/zinc/87/02/59/299870259.db2.gz GGJKASGBTZYBMM-CMPLNLGQSA-N -1 0 292.335 2.999 20 5 CFBDRM COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000034082406 295098553 /nfs/dbraw/zinc/09/85/53/295098553.db2.gz GSJHWQKOXKWWKU-UHFFFAOYSA-N -1 0 288.259 2.561 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(C2CCCC2)C1 ZINC000376590853 304551665 /nfs/dbraw/zinc/55/16/65/304551665.db2.gz QWLVHQIVZFZHKH-UHFFFAOYSA-N -1 0 290.319 2.563 20 5 CFBDRM C[C@H](N=c1nc(C2CC2)[n-]s1)c1ccccc1[N+](=O)[O-] ZINC000341001505 299007808 /nfs/dbraw/zinc/00/78/08/299007808.db2.gz LKSHTEGPRGIKMS-QMMMGPOBSA-N -1 0 290.348 2.919 20 5 CFBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000273430087 300192961 /nfs/dbraw/zinc/19/29/61/300192961.db2.gz OQKUHGLXGHUAPS-SECBINFHSA-N -1 0 278.308 2.561 20 5 CFBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3CC=CCC3)[n-]2)cc1 ZINC000486970323 304801908 /nfs/dbraw/zinc/80/19/08/304801908.db2.gz QWASLEBNWKACGU-NSHDSACASA-N -1 0 286.291 2.587 20 5 CFBDRM CC(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000160228745 322334732 /nfs/dbraw/zinc/33/47/32/322334732.db2.gz IXOHUCAQIVZDEP-SNVBAGLBSA-N -1 0 278.308 2.775 20 5 CFBDRM Cc1cnc(NCC2(C(=O)[O-])CCCCC2)c([N+](=O)[O-])c1 ZINC000165661256 322385180 /nfs/dbraw/zinc/38/51/80/322385180.db2.gz CKJJERBTLPNJEN-UHFFFAOYSA-N -1 0 293.323 2.745 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCC[C@H]2C)n1 ZINC000571526597 322586643 /nfs/dbraw/zinc/58/66/43/322586643.db2.gz WEWYBCMEOQKNGI-XCBNKYQSSA-N -1 0 279.296 2.597 20 5 CFBDRM C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000572484953 322620637 /nfs/dbraw/zinc/62/06/37/322620637.db2.gz CPXNFZDXKPVIFI-YUMQZZPRSA-N -1 0 298.726 2.824 20 5 CFBDRM CC1=C[C@H](C)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573497597 322658451 /nfs/dbraw/zinc/65/84/51/322658451.db2.gz ZNCHSXCFVMNHQX-VIFPVBQESA-N -1 0 276.292 2.695 20 5 CFBDRM CCC(=O)c1ccc(NC[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000574328446 322689234 /nfs/dbraw/zinc/68/92/34/322689234.db2.gz QLPKVYZMQIUVOY-VIFPVBQESA-N -1 0 294.307 2.710 20 5 CFBDRM CCC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000182088112 323842220 /nfs/dbraw/zinc/84/22/20/323842220.db2.gz WKLODMCCOXHNIN-UHFFFAOYSA-N -1 0 264.281 2.819 20 5 CFBDRM Cc1cc(NC2CC(F)(F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576043560 324570333 /nfs/dbraw/zinc/57/03/33/324570333.db2.gz QEHDDWJVWFCDOW-UHFFFAOYSA-N -1 0 286.234 2.811 20 5 CFBDRM CC[C@H](Sc1ccc([N+](=O)[O-])cc1C(C)=O)C(=O)[O-] ZINC000576707631 324649660 /nfs/dbraw/zinc/64/96/60/324649660.db2.gz WATWIHLRAWDRBP-JTQLQIEISA-N -1 0 283.305 2.753 20 5 CFBDRM CC(C)[C@H]1CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578752567 324885497 /nfs/dbraw/zinc/88/54/97/324885497.db2.gz SXOPDFOYEKCRQA-SNVBAGLBSA-N -1 0 298.726 2.824 20 5 CFBDRM Cc1cc(N2CC[C@H](C3CC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578872201 324897597 /nfs/dbraw/zinc/89/75/97/324897597.db2.gz SFAHSNZWODZSCK-NSHDSACASA-N -1 0 290.319 2.838 20 5 CFBDRM Cc1cc(N2C[C@H]3CCC[C@@H]3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000579956201 324994247 /nfs/dbraw/zinc/99/42/47/324994247.db2.gz FNGVFVVCBUPOOU-GHMZBOCLSA-N -1 0 290.319 2.838 20 5 CFBDRM C[C@@H]1CC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000580315428 325025091 /nfs/dbraw/zinc/02/50/91/325025091.db2.gz HUAVKGLHSFGVML-RKDXNWHRSA-N -1 0 294.307 2.661 20 5 CFBDRM C[C@H](C[C@@H]1CCCO1)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000581887183 325157028 /nfs/dbraw/zinc/15/70/28/325157028.db2.gz HNWAGMYKLHZBQQ-KOLCDFICSA-N -1 0 294.307 2.663 20 5 CFBDRM Cc1cc(N2CC[C@@H](C)[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583146373 325264208 /nfs/dbraw/zinc/26/42/08/325264208.db2.gz WWKSQVOHZHQQNG-PSASIEDQSA-N -1 0 278.308 2.836 20 5 CFBDRM CN(Cc1ccccc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234291811 523336260 /nfs/dbraw/zinc/33/62/60/523336260.db2.gz LNVWSVBRPWPHDY-UHFFFAOYSA-N -1 0 286.287 2.573 20 5 CFBDRM Cc1cccc(NCCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000311610602 524674662 /nfs/dbraw/zinc/67/46/62/524674662.db2.gz QJIWTBZQQSVLIT-UHFFFAOYSA-N -1 0 266.297 2.816 20 5 CFBDRM C[C@@]12CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000339208413 525911911 /nfs/dbraw/zinc/91/19/11/525911911.db2.gz XPKIKZCXYMVTCC-QWHCGFSZSA-N -1 0 298.289 2.778 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc[nH]c1C1CC1 ZINC000339960249 527132131 /nfs/dbraw/zinc/13/21/31/527132131.db2.gz ZLTCXKUWKBVAQH-UHFFFAOYSA-N -1 0 287.275 2.758 20 5 CFBDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000412806623 529084609 /nfs/dbraw/zinc/08/46/09/529084609.db2.gz CHGSVEWQOTWSGN-UHFFFAOYSA-N -1 0 292.335 2.951 20 5 CFBDRM CCCCn1ncc([N-]c2ncc([N+](=O)[O-])c(C)n2)c1C ZINC000450397625 535180645 /nfs/dbraw/zinc/18/06/45/535180645.db2.gz ZHCDHSDUSWHBBY-UHFFFAOYSA-N -1 0 290.327 2.742 20 5 CFBDRM CC1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000736728406 574068325 /nfs/dbraw/zinc/06/83/25/574068325.db2.gz NMPOLUWUWWZJDD-UHFFFAOYSA-N -1 0 292.291 2.812 20 5 CFBDRM CCN(Cc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1)C(=O)[O-] ZINC000739444689 574214383 /nfs/dbraw/zinc/21/43/83/574214383.db2.gz MITBAEBEDWCLDR-UHFFFAOYSA-N -1 0 296.308 2.546 20 5 CFBDRM O=C([O-])N1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000740514490 574253175 /nfs/dbraw/zinc/25/31/75/574253175.db2.gz HTELJIXLIUKTHP-VIFPVBQESA-N -1 0 297.286 2.536 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000753706950 574408423 /nfs/dbraw/zinc/40/84/23/574408423.db2.gz RQAKCYJUKXYJSL-UHFFFAOYSA-N -1 0 294.213 2.831 20 5 CFBDRM CC(C)(C)Oc1cc(NCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000819927845 598037666 /nfs/dbraw/zinc/03/76/66/598037666.db2.gz 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C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC000272427680 394028209 /nfs/dbraw/zinc/02/82/09/394028209.db2.gz RKIPQWMPOYUQMD-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM COc1cccc2c1nc(-c1ccc([O-])c([N+](=O)[O-])c1)n2C ZINC000436858328 394030091 /nfs/dbraw/zinc/03/00/91/394030091.db2.gz NWICECOJJILSNF-UHFFFAOYSA-N -1 0 299.286 2.863 20 5 CFBDRM O=C(Nc1ccsc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130503182 394113270 /nfs/dbraw/zinc/11/32/70/394113270.db2.gz PLKALSUGGMIDEQ-UHFFFAOYSA-N -1 0 264.262 2.614 20 5 CFBDRM O=C([O-])CC[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000043584876 134905649 /nfs/dbraw/zinc/90/56/49/134905649.db2.gz DKDJVVOXJISWME-LLVKDONJSA-N -1 0 278.308 2.676 20 5 CFBDRM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000457713492 394490379 /nfs/dbraw/zinc/49/03/79/394490379.db2.gz PWLDFPWVXPGEJK-LURJTMIESA-N -1 0 292.213 2.827 20 5 CFBDRM C[C@H]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436877711 300038364 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CFBDRM O=C(Nc1ccc(F)c(F)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000350935527 163113182 /nfs/dbraw/zinc/11/31/82/163113182.db2.gz DABBYTMCDACIKZ-UHFFFAOYSA-N -1 0 294.213 2.831 20 5 CFBDRM O=C(NC/C=C/c1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352845810 163251819 /nfs/dbraw/zinc/25/18/19/163251819.db2.gz YQFKPZHCNPJLMR-QPJJXVBHSA-N -1 0 298.298 2.744 20 5 CFBDRM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000221918239 287118570 /nfs/dbraw/zinc/11/85/70/287118570.db2.gz XCHKYORBIOSQKE-GXSJLCMTSA-N -1 0 278.308 2.704 20 5 CFBDRM COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022705281 171396079 /nfs/dbraw/zinc/39/60/79/171396079.db2.gz NIEIUZXZSBKUMO-UHFFFAOYSA-N -1 0 288.259 2.561 20 5 CFBDRM C[C@H](C1CC1)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000035207403 172051934 /nfs/dbraw/zinc/05/19/34/172051934.db2.gz WUVHIYLVAURUNL-MRVPVSSYSA-N -1 0 264.281 2.528 20 5 CFBDRM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331226696 287300368 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CC1(C)CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436894051 281135414 /nfs/dbraw/zinc/13/54/14/281135414.db2.gz RPCRAVMTCITWQC-VIFPVBQESA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@@H](CCC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000398155952 281204133 /nfs/dbraw/zinc/20/41/33/281204133.db2.gz GJGOYDYMGXUODP-VIFPVBQESA-N -1 0 278.308 2.609 20 5 CFBDRM CC[C@@H]1CCCCN1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000515851636 281298720 /nfs/dbraw/zinc/29/87/20/281298720.db2.gz HMOWDAJSBUNWHP-SNVBAGLBSA-N -1 0 293.323 2.765 20 5 CFBDRM O=C(Nc1cccc(Cl)c1[O-])c1ccc([N+](=O)[O-])cn1 ZINC000533965334 281476088 /nfs/dbraw/zinc/47/60/88/281476088.db2.gz KOKMEBBQPOKFHX-UHFFFAOYSA-N -1 0 293.666 2.601 20 5 CFBDRM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000539415362 281568762 /nfs/dbraw/zinc/56/87/62/281568762.db2.gz DBYOFLRMIUJPKD-UHFFFAOYSA-N -1 0 290.250 2.716 20 5 CFBDRM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457285094 288434795 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Cc1cc(N2CC[C@@H](C)[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576468905 324620582 /nfs/dbraw/zinc/62/05/82/324620582.db2.gz KYQREWVEEQNTPH-PSASIEDQSA-N -1 0 278.308 2.836 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCC2(C)C)n1 ZINC000577853556 324787398 /nfs/dbraw/zinc/78/73/98/324787398.db2.gz JUIXFUQKBRJOEL-VIFPVBQESA-N -1 0 279.296 2.597 20 5 CFBDRM Cc1cc(N[C@@H]2CC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578073502 324813354 /nfs/dbraw/zinc/81/33/54/324813354.db2.gz NUXNIXMHXCAQAO-RDDDGLTNSA-N -1 0 264.281 2.812 20 5 CFBDRM CC1(C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000581550190 325131588 /nfs/dbraw/zinc/13/15/88/325131588.db2.gz QSVYVZNZQWPUOW-UHFFFAOYSA-N -1 0 284.699 2.578 20 5 CFBDRM C[C@@H](C[C@H]1CCCO1)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000581887182 325157130 /nfs/dbraw/zinc/15/71/30/325157130.db2.gz HNWAGMYKLHZBQQ-GXSJLCMTSA-N -1 0 294.307 2.663 20 5 CFBDRM Cc1cc(N[C@H]2CSC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583383555 325282955 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O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](C2CCC2)C1 ZINC000591127166 348990674 /nfs/dbraw/zinc/99/06/74/348990674.db2.gz ODRWMPADFFBZLG-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000591687114 349038122 /nfs/dbraw/zinc/03/81/22/349038122.db2.gz LBHHBSMGPDYQND-MRVPVSSYSA-N -1 0 272.326 2.815 20 5 CFBDRM CC(C)C[C@H](CNc1sccc1[N+](=O)[O-])C(=O)[O-] ZINC000591687129 349038527 /nfs/dbraw/zinc/03/85/27/349038527.db2.gz ZYSAJKQXYPGFMA-MRVPVSSYSA-N -1 0 272.326 2.815 20 5 CFBDRM Cc1cc(NC[C@H]2CC[C@@H](C)O2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978363 349179303 /nfs/dbraw/zinc/17/93/03/349179303.db2.gz OZNIGTLFLZGDCF-MWLCHTKSSA-N -1 0 294.307 2.581 20 5 CFBDRM Cc1cc(N2CCCSCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592970156 349179520 /nfs/dbraw/zinc/17/95/20/349179520.db2.gz NCPWUGCMFCHXIL-UHFFFAOYSA-N -1 0 296.348 2.545 20 5 CFBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000592981176 349180108 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CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000598445880 350270280 /nfs/dbraw/zinc/27/02/80/350270280.db2.gz UBDMQSQQODKDPZ-FGWVZKOKSA-N -1 0 290.319 2.704 20 5 CFBDRM O=C(NCC[C@@H]1CC=CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600393295 350552905 /nfs/dbraw/zinc/55/29/05/350552905.db2.gz LJNZNJYKIBUZOC-LLVKDONJSA-N -1 0 290.319 2.777 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000600678084 350595541 /nfs/dbraw/zinc/59/55/41/350595541.db2.gz KVGAQAFURWBVTK-LPEHRKFASA-N -1 0 291.307 2.597 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[C@@H]2CCCOC2)c1 ZINC000600677119 350595862 /nfs/dbraw/zinc/59/58/62/350595862.db2.gz AJQPPUFKXJHZPT-JTQLQIEISA-N -1 0 294.307 2.522 20 5 CFBDRM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000600760553 350606450 /nfs/dbraw/zinc/60/64/50/350606450.db2.gz LEHDBFKTGCOSPN-BONVTDFDSA-N -1 0 290.319 2.705 20 5 CFBDRM O=C(NC[C@@H]1CCCC12CC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600802330 350614139 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CC(C)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000037453298 279914481 /nfs/dbraw/zinc/91/44/81/279914481.db2.gz BOULSIUABLYWIT-SNVBAGLBSA-N -1 0 272.688 2.769 20 5 CFBDRM O=C(CC1CCSCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092547488 280574065 /nfs/dbraw/zinc/57/40/65/280574065.db2.gz QFCZBJZPGNOIBV-UHFFFAOYSA-N -1 0 296.348 2.772 20 5 CFBDRM O=C(Nc1ccc(F)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163962720 280808297 /nfs/dbraw/zinc/80/82/97/280808297.db2.gz HEBYVGWMJSQHQI-UHFFFAOYSA-N -1 0 276.223 2.692 20 5 CFBDRM CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1C1CC1 ZINC000291028830 281223425 /nfs/dbraw/zinc/22/34/25/281223425.db2.gz FAUDPOHTVMELHT-ZDUSSCGKSA-N -1 0 290.319 2.561 20 5 CFBDRM CC[C@]1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000075213475 288439935 /nfs/dbraw/zinc/43/99/35/288439935.db2.gz FHVRPDBPMJZPAJ-OAHLLOKOSA-N -1 0 292.335 2.953 20 5 CFBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCC(C)(C)C1 ZINC000436915658 288922277 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C[C@H]1CCC[C@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164757583 299887363 /nfs/dbraw/zinc/88/73/63/299887363.db2.gz UQVQNLJAVDMECF-QWRGUYRKSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCc2ccccc21 ZINC000157424759 304533444 /nfs/dbraw/zinc/53/34/44/304533444.db2.gz SDIGSQBFXWMZKA-UHFFFAOYSA-N -1 0 298.298 2.893 20 5 CFBDRM O=C(NC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436783453 303721084 /nfs/dbraw/zinc/72/10/84/303721084.db2.gz LZPDORDKILSOJM-UHFFFAOYSA-N -1 0 298.298 2.720 20 5 CFBDRM O=C(N[C@@H]1CC2CCC1CC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000351682525 303829300 /nfs/dbraw/zinc/82/93/00/303829300.db2.gz IWSYPOISDJBUAV-RTYFJBAXSA-N -1 0 290.319 2.609 20 5 CFBDRM CCC1(C)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166758410 322387491 /nfs/dbraw/zinc/38/74/91/322387491.db2.gz GOEQLUCATAGJFY-UHFFFAOYSA-N -1 0 293.323 2.705 20 5 CFBDRM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000571923307 322601068 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CC(C)(CO)CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000393446600 324529684 /nfs/dbraw/zinc/52/96/84/324529684.db2.gz IBUXTKKQDRGLBQ-UHFFFAOYSA-N -1 0 296.323 2.504 20 5 CFBDRM C[C@@H](C[C@@H]1CCCO1)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000581887185 325157247 /nfs/dbraw/zinc/15/72/47/325157247.db2.gz HNWAGMYKLHZBQQ-ONGXEEELSA-N -1 0 294.307 2.663 20 5 CFBDRM CC1(C)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582182563 325183377 /nfs/dbraw/zinc/18/33/77/325183377.db2.gz KSICSBHEHNYUOM-UHFFFAOYSA-N -1 0 298.726 2.968 20 5 CFBDRM Cc1cc(N2CCC(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582244051 325189311 /nfs/dbraw/zinc/18/93/11/325189311.db2.gz IWKJPNOLNUDTKI-UHFFFAOYSA-N -1 0 278.308 2.838 20 5 CFBDRM C[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])[C@@H](C)C1 ZINC000584055164 325327352 /nfs/dbraw/zinc/32/73/52/325327352.db2.gz ULVIPRGJYVBISL-SCVCMEIPSA-N -1 0 292.335 2.855 20 5 CFBDRM O=C(Nc1ccsc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164682461 534440848 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CC1(C)CC(=O)CC[C@H]1Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228972355 776674715 /nfs/dbraw/zinc/67/47/15/776674715.db2.gz WBOKQCVHILKLAP-GFCCVEGCSA-N -1 0 295.291 2.533 20 5 CFBDRM C[C@H](Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c12)C1=CC=C[CH]1 ZINC001229367407 776791837 /nfs/dbraw/zinc/79/18/37/776791837.db2.gz LZZJFJBSDJXWOU-VIFPVBQESA-N -1 0 298.278 2.711 20 5 CFBDRM CC[C@H](C)CC[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382242 776797020 /nfs/dbraw/zinc/79/70/20/776797020.db2.gz QSUCBPHBWFSPJU-DTWKUNHWSA-N -1 0 283.328 2.992 20 5 CFBDRM CCCCC[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382607 776797028 /nfs/dbraw/zinc/79/70/28/776797028.db2.gz VBWIQIHVYSJLQN-MRVPVSSYSA-N -1 0 269.301 2.746 20 5 CFBDRM C[C@@H]1CC[C@H](Oc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231225280 777174223 /nfs/dbraw/zinc/17/42/23/777174223.db2.gz WCPDHRTUUXHQAL-SFYZADRCSA-N -1 0 282.252 2.776 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CCC[C@@H]2C)[n-]1 ZINC001231258592 777178435 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COc1cccc(NC[C@H](CC(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC000594737180 349484673 /nfs/dbraw/zinc/48/46/73/349484673.db2.gz YIAMLSBGABBPIR-JTQLQIEISA-N -1 0 294.307 2.516 20 5 CFBDRM C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595907622 349766717 /nfs/dbraw/zinc/76/67/17/349766717.db2.gz CFWLHHPLUMFAPZ-LLVKDONJSA-N -1 0 264.325 2.778 20 5 CFBDRM COc1ccc([N+](=O)[O-])c(NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000595977712 349773978 /nfs/dbraw/zinc/77/39/78/349773978.db2.gz OWLKXUWOWMEFLN-LLVKDONJSA-N -1 0 294.307 2.516 20 5 CFBDRM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000126960123 187273315 /nfs/dbraw/zinc/27/33/15/187273315.db2.gz SUQGFFUECJGLCV-GHMZBOCLSA-N -1 0 292.335 2.951 20 5 CFBDRM CCC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274709963 282345171 /nfs/dbraw/zinc/34/51/71/282345171.db2.gz XNYASEULRPYSOI-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436988627 297240238 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O=C(CCCn1cccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092545982 347631368 /nfs/dbraw/zinc/63/13/68/347631368.db2.gz IWNADSCLFHNIOE-UHFFFAOYSA-N -1 0 289.291 2.521 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000094659051 347696151 /nfs/dbraw/zinc/69/61/51/347696151.db2.gz MKYYMMZPJCPXIZ-LBPRGKRZSA-N -1 0 292.335 2.984 20 5 CFBDRM CC[C@@H](Sc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000097824364 347710100 /nfs/dbraw/zinc/71/01/00/347710100.db2.gz DFTXDZFLWKBANQ-SNVBAGLBSA-N -1 0 255.295 2.859 20 5 CFBDRM CCN(Cc1ccccn1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093338631 347670459 /nfs/dbraw/zinc/67/04/59/347670459.db2.gz HDSLMGCLYKUQLD-UHFFFAOYSA-N -1 0 287.319 2.718 20 5 CFBDRM O=C([O-])c1cc(N2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000123665040 347820883 /nfs/dbraw/zinc/82/08/83/347820883.db2.gz GSNIPVVHAMLJCW-UWVGGRQHSA-N -1 0 276.292 2.529 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000157206114 347998896 /nfs/dbraw/zinc/99/88/96/347998896.db2.gz JZGYSFBHXZGPSB-GFCCVEGCSA-N -1 0 292.335 2.984 20 5 CFBDRM C[C@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162342516 348030017 /nfs/dbraw/zinc/03/00/17/348030017.db2.gz RRJDFOIBDKQNKJ-WCBMZHEXSA-N -1 0 279.296 2.679 20 5 CFBDRM O=C([O-])c1cnc(SC2CCCC2)c([N+](=O)[O-])c1 ZINC000162473095 348030319 /nfs/dbraw/zinc/03/03/19/348030319.db2.gz WYLYPKUUQQGVGD-UHFFFAOYSA-N -1 0 268.294 2.723 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(NCC2(C(=O)[O-])CCCC2)c1 ZINC000165362919 348038702 /nfs/dbraw/zinc/03/87/02/348038702.db2.gz DPWHPVSQSFDUTK-UHFFFAOYSA-N -1 0 278.308 2.960 20 5 CFBDRM O=C([O-])CCSc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000236418264 348233826 /nfs/dbraw/zinc/23/38/26/348233826.db2.gz KMANGEHIQVYKHQ-UHFFFAOYSA-N -1 0 296.226 2.575 20 5 CFBDRM C[C@H]1CC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000253125336 348299406 /nfs/dbraw/zinc/29/94/06/348299406.db2.gz LEOMTNIZNYZRJM-CZMCAQCFSA-N -1 0 279.296 2.679 20 5 CFBDRM C[C@H](C[C@@H]1CCOC1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592975318 349179275 /nfs/dbraw/zinc/17/92/75/349179275.db2.gz CJYRRFVQXGWKKD-ZJUUUORDSA-N -1 0 294.307 2.520 20 5 CFBDRM O=C([O-])c1cc(N2CCC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000592976123 349179332 /nfs/dbraw/zinc/17/93/32/349179332.db2.gz JSOQPIYVXIBYBR-LLVKDONJSA-N -1 0 290.319 2.919 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC=CCC2)n1 ZINC000592973119 349179610 /nfs/dbraw/zinc/17/96/10/349179610.db2.gz ZIUXQAJCALHUGZ-SECBINFHSA-N -1 0 277.280 2.517 20 5 CFBDRM CCC(C)(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000597951644 350162263 /nfs/dbraw/zinc/16/22/63/350162263.db2.gz KXGBUETZHZMAHC-SECBINFHSA-N -1 0 280.324 2.855 20 5 CFBDRM O=C(NCCCC1CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598214987 350217146 /nfs/dbraw/zinc/21/71/46/350217146.db2.gz FGJIHRXZPGYYDB-UHFFFAOYSA-N -1 0 278.308 2.611 20 5 CFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](CCF)C1 ZINC000598222588 350220054 /nfs/dbraw/zinc/22/00/54/350220054.db2.gz ALWUOULPDWTVID-JTQLQIEISA-N -1 0 296.298 2.512 20 5 CFBDRM CC[C@](C)(NC(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC1 ZINC000598249273 350224659 /nfs/dbraw/zinc/22/46/59/350224659.db2.gz HHSRVZZDTKIKPQ-AWEZNQCLSA-N -1 0 278.308 2.609 20 5 CFBDRM Cc1cc(NC[C@H]2C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038450 290262189 /nfs/dbraw/zinc/26/21/89/290262189.db2.gz NBFNCDOBKVXHJY-IONNQARKSA-N -1 0 264.281 2.669 20 5 CFBDRM C[C@@H]1CC[C@@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)O1 ZINC000599176202 350389806 /nfs/dbraw/zinc/38/98/06/350389806.db2.gz CBJJCNYMLPUJKQ-HQJQHLMTSA-N -1 0 291.263 2.590 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[C@H]2CCCOC2)c1 ZINC000600677123 350595477 /nfs/dbraw/zinc/59/54/77/350595477.db2.gz AJQPPUFKXJHZPT-SNVBAGLBSA-N -1 0 294.307 2.522 20 5 CFBDRM CCC[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])OCC ZINC000600677322 350595623 /nfs/dbraw/zinc/59/56/23/350595623.db2.gz CNRKFWLRLCZSIL-LLVKDONJSA-N -1 0 296.323 2.910 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2CC=CC2)c1 ZINC000600678363 350596289 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CCC(C)(C)c1cn(Cc2cc([O-])ccc2[N+](=O)[O-])nn1 ZINC000603227626 351121801 /nfs/dbraw/zinc/12/18/01/351121801.db2.gz VARYXIAJMSJZTQ-UHFFFAOYSA-N -1 0 290.323 2.628 20 5 CFBDRM O=C(NCC1(C2CC2)CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119336819 186820253 /nfs/dbraw/zinc/82/02/53/186820253.db2.gz KXGJTRNXYDSOBZ-UHFFFAOYSA-N -1 0 290.319 2.611 20 5 CFBDRM Cc1cnc([N-]c2cnn(C)c2C(F)F)c([N+](=O)[O-])c1 ZINC000611143850 351644982 /nfs/dbraw/zinc/64/49/82/351644982.db2.gz WXIVMUKHGKUFQY-UHFFFAOYSA-N -1 0 283.238 2.713 20 5 CFBDRM CN(Cc1ccsc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611551581 351707470 /nfs/dbraw/zinc/70/74/70/351707470.db2.gz MWXMZCKWQFSZPE-UHFFFAOYSA-N -1 0 292.316 2.634 20 5 CFBDRM CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000292285086 198230174 /nfs/dbraw/zinc/23/01/74/198230174.db2.gz UYOXPJYMRPEABU-UHFFFAOYSA-N -1 0 264.281 2.675 20 5 CFBDRM CC(C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000158095397 188356513 /nfs/dbraw/zinc/35/65/13/188356513.db2.gz 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C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000592970945 349179718 /nfs/dbraw/zinc/17/97/18/349179718.db2.gz BELIQBWAGSICIC-VIFPVBQESA-N -1 0 278.308 2.680 20 5 CFBDRM Cc1cc(NCCC2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972660 349179723 /nfs/dbraw/zinc/17/97/23/349179723.db2.gz FVZXBTRBXLLNAA-UHFFFAOYSA-N -1 0 264.281 2.813 20 5 CFBDRM CCCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592749032 349164394 /nfs/dbraw/zinc/16/43/94/349164394.db2.gz YNYAEACKZVXIRX-UHFFFAOYSA-N -1 0 286.715 2.826 20 5 CFBDRM O=C(NCC1CCC(F)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000592897087 349176108 /nfs/dbraw/zinc/17/61/08/349176108.db2.gz DCCLRLRRQVMZJA-UHFFFAOYSA-N -1 0 296.298 2.559 20 5 CFBDRM O=C(NCC1CCC(F)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000592896754 349176141 /nfs/dbraw/zinc/17/61/41/349176141.db2.gz CJMNJEXWCBTAPT-UHFFFAOYSA-N -1 0 296.298 2.559 20 5 CFBDRM Cc1cc(CSCc2cc([O-])ccc2[N+](=O)[O-])nn1C ZINC000593190302 349226132 /nfs/dbraw/zinc/22/61/32/349226132.db2.gz 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ZINC000598230883 350220674 /nfs/dbraw/zinc/22/06/74/350220674.db2.gz WVDUQMIAVWCPTQ-JTQLQIEISA-N -1 0 296.298 2.512 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](F)C2)c1 ZINC000565035259 290261714 /nfs/dbraw/zinc/26/17/14/290261714.db2.gz KYEDCLFHYKKBRC-IUCAKERBSA-N -1 0 268.244 2.596 20 5 CFBDRM C[C@]1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000600678232 350595885 /nfs/dbraw/zinc/59/58/85/350595885.db2.gz GUVOBSFOADKYBO-QRJZZWFUSA-N -1 0 291.307 2.536 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(C(F)F)CCC1 ZINC000601375856 350728120 /nfs/dbraw/zinc/72/81/20/350728120.db2.gz SIKLGGLPJNRZPO-UHFFFAOYSA-N -1 0 286.234 2.674 20 5 CFBDRM CCC(CC)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000601938432 350810393 /nfs/dbraw/zinc/81/03/93/350810393.db2.gz HTUYHHSWJQXYGT-UHFFFAOYSA-N -1 0 275.308 2.720 20 5 CFBDRM CC(C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000601941439 350811482 /nfs/dbraw/zinc/81/14/82/350811482.db2.gz WYCUHZDTVOWUBS-UHFFFAOYSA-N -1 0 281.699 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CC[C@@H](C)C[C@@H](CC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229380759 776795180 /nfs/dbraw/zinc/79/51/80/776795180.db2.gz KYLVVFAKPFMHGY-PSASIEDQSA-N -1 0 283.328 2.992 20 5 CFBDRM CCC[C@@H](C)[C@@H](CC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229379738 776795329 /nfs/dbraw/zinc/79/53/29/776795329.db2.gz XUXICARFZBEPHO-PSASIEDQSA-N -1 0 283.328 2.992 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CC[C@@H](C)C2)[n-]1 ZINC001231259809 777179067 /nfs/dbraw/zinc/17/90/67/777179067.db2.gz PVPQQCGFGRHKTK-VXNVDRBHSA-N -1 0 252.270 2.571 20 5 CFBDRM CC[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])C(C)C ZINC001231261290 777180001 /nfs/dbraw/zinc/18/00/01/777180001.db2.gz AHMDONJGQINTTB-SNVBAGLBSA-N -1 0 254.286 2.817 20 5 CFBDRM O=C([O-])C[C@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594736603 349484747 /nfs/dbraw/zinc/48/47/47/349484747.db2.gz SXXQVFKRLARRIG-SNVBAGLBSA-N -1 0 264.281 2.508 20 5 CFBDRM CC(C)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000269276216 190483140 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C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1(C)C ZINC000274283262 299957676 /nfs/dbraw/zinc/95/76/76/299957676.db2.gz ZBZPAGYAVFKNJP-JTQLQIEISA-N -1 0 292.335 2.809 20 5 CFBDRM Cc1cc(N2CCC[C@H](F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563205806 290117779 /nfs/dbraw/zinc/11/77/79/290117779.db2.gz GKQKXDOIGFQXSL-VIFPVBQESA-N -1 0 282.271 2.540 20 5 CFBDRM CC(C)[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000088845662 347510736 /nfs/dbraw/zinc/51/07/36/347510736.db2.gz SVZQVFKMMQQQID-GFCCVEGCSA-N -1 0 278.308 2.918 20 5 CFBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@H](CC(=O)[O-])CC(C)C ZINC000088274398 347500661 /nfs/dbraw/zinc/50/06/61/347500661.db2.gz NQKNDHRHPOUNQU-NSHDSACASA-N -1 0 295.339 2.847 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000094659173 347696339 /nfs/dbraw/zinc/69/63/39/347696339.db2.gz LVLYVYNQHRVGIP-ZJUUUORDSA-N -1 0 264.281 2.568 20 5 CFBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000097066197 347706300 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CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000589651715 348849522 /nfs/dbraw/zinc/84/95/22/348849522.db2.gz FCERBQRCZBOMLU-ZDUSSCGKSA-N -1 0 290.319 2.561 20 5 CFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(C2CC2)CC1 ZINC000590431654 348900802 /nfs/dbraw/zinc/90/08/02/348900802.db2.gz ZJSBUSDLVCXRJQ-UHFFFAOYSA-N -1 0 290.319 2.563 20 5 CFBDRM C[C@H]1CC(C)(C)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000413971449 233144799 /nfs/dbraw/zinc/14/47/99/233144799.db2.gz ILMVHEHMBWYEMJ-VIFPVBQESA-N -1 0 278.308 2.561 20 5 CFBDRM O=C([O-])CCCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000592421665 349118992 /nfs/dbraw/zinc/11/89/92/349118992.db2.gz UAJJUHMYVBAISA-UHFFFAOYSA-N -1 0 293.323 2.535 20 5 CFBDRM C[C@H](C[C@H]1CCOC1)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592975638 349179596 /nfs/dbraw/zinc/17/95/96/349179596.db2.gz XEDPXXGYFZHLEF-NXEZZACHSA-N -1 0 294.307 2.520 20 5 CFBDRM C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C(=O)[O-] ZINC000592980877 349180245 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O=C([O-])c1ccnc(NC[C@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000600679213 350596357 /nfs/dbraw/zinc/59/63/57/350596357.db2.gz STHIQXTVNCEAQE-SECBINFHSA-N -1 0 291.307 2.680 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC2(CC2)CC1 ZINC000600769229 350607944 /nfs/dbraw/zinc/60/79/44/350607944.db2.gz RSIBIOBVHUPYAX-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(CCF)CC1 ZINC000601747687 350772062 /nfs/dbraw/zinc/77/20/62/350772062.db2.gz RPVPJJSBPJWQFT-UHFFFAOYSA-N -1 0 296.298 2.512 20 5 CFBDRM C[C@@H]1CCc2[n-]n(-c3cccc([N+](=O)[O-])c3)c(=O)c2C1 ZINC000601931290 350806345 /nfs/dbraw/zinc/80/63/45/350806345.db2.gz HIUDXPBUONTKLE-SKDRFNHKSA-N -1 0 273.292 2.734 20 5 CFBDRM CCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000601943620 350811745 /nfs/dbraw/zinc/81/17/45/350811745.db2.gz RVDNUSYSWPIFPZ-UHFFFAOYSA-N -1 0 265.244 2.627 20 5 CFBDRM C[C@@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cc3F)c(=O)c2C1 ZINC000601943479 350811752 /nfs/dbraw/zinc/81/17/52/350811752.db2.gz 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264.281 2.675 20 5 CFBDRM C[C@H](C1CC1)N(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000183496020 189360102 /nfs/dbraw/zinc/36/01/02/189360102.db2.gz SIJYJZLIAUNXHF-SECBINFHSA-N -1 0 290.319 2.704 20 5 CFBDRM C[C@@H](C1CC1)N(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000183496329 189360146 /nfs/dbraw/zinc/36/01/46/189360146.db2.gz YRGFRLKDARQCNI-VIFPVBQESA-N -1 0 290.319 2.704 20 5 CFBDRM O=C(CC1CCCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183916829 189371479 /nfs/dbraw/zinc/37/14/79/189371479.db2.gz JKVHYNFSQKIDQH-UHFFFAOYSA-N -1 0 264.281 2.819 20 5 CFBDRM C[C@@H](C1CC1)N(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000184705859 189393094 /nfs/dbraw/zinc/39/30/94/189393094.db2.gz AXMUDGOVIKKZJC-VIFPVBQESA-N -1 0 290.319 2.704 20 5 CFBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCC1 ZINC000184666376 189391751 /nfs/dbraw/zinc/39/17/51/189391751.db2.gz BQVXJWPAHJJEGR-UHFFFAOYSA-N -1 0 278.308 2.705 20 5 CFBDRM O=C(Nc1ccc(F)cc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432577678 240021028 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/nfs/dbraw/zinc/78/37/05/393783705.db2.gz DOZMIMKWSWPCHM-UHFFFAOYSA-N -1 0 296.323 2.768 20 5 CFBDRM Cc1ccc(O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000092547600 393788330 /nfs/dbraw/zinc/78/83/30/393788330.db2.gz WRDJFALPQFLQAU-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(CCC(=O)[O-])CC2)c1 ZINC000094659062 393809223 /nfs/dbraw/zinc/80/92/23/393809223.db2.gz ICDIBUQQQVGWHB-UHFFFAOYSA-N -1 0 292.335 2.984 20 5 CFBDRM CN(CCC(=O)[O-])c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000416428950 393919281 /nfs/dbraw/zinc/91/92/81/393919281.db2.gz SXHUKSUITBJTIE-UHFFFAOYSA-N -1 0 293.106 2.813 20 5 CFBDRM CC[C@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436964465 394038832 /nfs/dbraw/zinc/03/88/32/394038832.db2.gz IRYLQTWDRCWTMP-CQSZACIVSA-N -1 0 278.308 2.563 20 5 CFBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[C@@H]1C ZINC000130121664 394102863 /nfs/dbraw/zinc/10/28/63/394102863.db2.gz ROEPKEPYISRZPG-UWVGGRQHSA-N -1 0 278.308 2.775 20 5 CFBDRM Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000436871982 394030901 /nfs/dbraw/zinc/03/09/01/394030901.db2.gz VQKSECDIIKYGDE-UHFFFAOYSA-N -1 0 292.316 2.600 20 5 CFBDRM C[C@@H]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436878453 394031536 /nfs/dbraw/zinc/03/15/36/394031536.db2.gz SLKKYRYPLYTECT-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM CC1(C)CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000137806630 394240664 /nfs/dbraw/zinc/24/06/64/394240664.db2.gz PRKPYTNQGQZTQM-CYBMUJFWSA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@H]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436878452 300038696 /nfs/dbraw/zinc/03/86/96/300038696.db2.gz SLKKYRYPLYTECT-VHSXEESVSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@H](N=c1nc(C2CC2)[n-]s1)c1cccc([N+](=O)[O-])c1 ZINC000356468777 155276215 /nfs/dbraw/zinc/27/62/15/155276215.db2.gz CEKBQKSGQVIZHP-QMMMGPOBSA-N -1 0 290.348 2.919 20 5 CFBDRM C[C@@H]1CC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000356604437 155314920 /nfs/dbraw/zinc/31/49/20/155314920.db2.gz XCRQNRKMCWZVEE-UWVGGRQHSA-N -1 0 292.335 2.855 20 5 CFBDRM CCc1cccnc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356803334 155373424 /nfs/dbraw/zinc/37/34/24/155373424.db2.gz LUBMDVDYWSTEMK-UHFFFAOYSA-N -1 0 287.275 2.510 20 5 CFBDRM O=C(Nc1cc(F)cc(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355483778 155019264 /nfs/dbraw/zinc/01/92/64/155019264.db2.gz HEMOATMSGBYOPP-UHFFFAOYSA-N -1 0 294.213 2.831 20 5 CFBDRM CC[C@H](C)n1nc([N-]c2ncccc2[N+](=O)[O-])cc1C ZINC000342789570 161708419 /nfs/dbraw/zinc/70/84/19/161708419.db2.gz QUWMYBIZPLFIDH-VIFPVBQESA-N -1 0 275.312 2.631 20 5 CFBDRM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000346804942 162520492 /nfs/dbraw/zinc/52/04/92/162520492.db2.gz PRNMVPCKPLJBCW-JTQLQIEISA-N -1 0 286.287 2.791 20 5 CFBDRM O=C([O-])c1ccnc(/C=C/c2csc([N+](=O)[O-])c2)c1 ZINC000347415603 162684978 /nfs/dbraw/zinc/68/49/78/162684978.db2.gz IROQUXLOTGBZMR-OWOJBTEDSA-N -1 0 276.273 2.920 20 5 CFBDRM O=C(Nc1ccc(F)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000350698958 163098677 /nfs/dbraw/zinc/09/86/77/163098677.db2.gz IFQDVBCSAQTRQS-UHFFFAOYSA-N -1 0 276.223 2.692 20 5 CFBDRM CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019844741 170893209 /nfs/dbraw/zinc/89/32/09/170893209.db2.gz IWKWXQAVWCPKOV-MRVPVSSYSA-N -1 0 252.270 2.894 20 5 CFBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084554 171972083 /nfs/dbraw/zinc/97/20/83/171972083.db2.gz NWENALHCVIVDDY-UHFFFAOYSA-N -1 0 278.289 2.710 20 5 CFBDRM C[C@H](CC(=O)[O-])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035330334 172130203 /nfs/dbraw/zinc/13/02/03/172130203.db2.gz ZGEUEOIOLZFEPJ-ZCFIWIBFSA-N -1 0 292.213 2.889 20 5 CFBDRM CN(CCC(=O)[O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000038000625 173962979 /nfs/dbraw/zinc/96/29/79/173962979.db2.gz LPAUSQMOSFJPQM-UHFFFAOYSA-N -1 0 292.213 2.525 20 5 CFBDRM C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000071209760 176082074 /nfs/dbraw/zinc/08/20/74/176082074.db2.gz ZERVOPCSHKKFSN-GZMMTYOYSA-N -1 0 264.281 2.894 20 5 CFBDRM C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000226978274 270256801 /nfs/dbraw/zinc/25/68/01/270256801.db2.gz XRJAGCALLBBFEX-SNVBAGLBSA-N -1 0 278.308 2.705 20 5 CFBDRM C[C@@H]1CCCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225808358 270256317 /nfs/dbraw/zinc/25/63/17/270256317.db2.gz VHTATCUWWUKXGW-SNVBAGLBSA-N -1 0 278.308 2.705 20 5 CFBDRM C[C@@H](C1CCC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000325296965 270299034 /nfs/dbraw/zinc/29/90/34/270299034.db2.gz UNSKUSBHIGXCCR-VIFPVBQESA-N -1 0 278.308 2.561 20 5 CFBDRM O=C(N[C@@H](C1CC1)C1CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000325322427 270299397 /nfs/dbraw/zinc/29/93/97/270299397.db2.gz DNARBBKGYYBFQY-CQSZACIVSA-N -1 0 290.319 2.609 20 5 CFBDRM CC(C)[C@]1(C)C[C@@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000397177734 270316069 /nfs/dbraw/zinc/31/60/69/270316069.db2.gz HIJPHKQBADLECG-ZANVPECISA-N -1 0 279.296 2.535 20 5 CFBDRM CC(C)[C@]1(C)C[C@@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000397203982 270316695 /nfs/dbraw/zinc/31/66/95/270316695.db2.gz XZNGSHGRVDGVAV-GWCFXTLKSA-N -1 0 279.296 2.535 20 5 CFBDRM CC(C)C[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000307773456 279030582 /nfs/dbraw/zinc/03/05/82/279030582.db2.gz KYSPPYJEEDQEOQ-NSHDSACASA-N -1 0 292.335 2.809 20 5 CFBDRM CC(C)C[C@H](CNc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000312314796 279165497 /nfs/dbraw/zinc/16/54/97/279165497.db2.gz AREKGGSIBMAIOD-SECBINFHSA-N -1 0 284.287 2.893 20 5 CFBDRM CC[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130363706 288195042 /nfs/dbraw/zinc/19/50/42/288195042.db2.gz LXELHIHFMIPOBZ-JTQLQIEISA-N -1 0 278.308 2.705 20 5 CFBDRM CC(C)[C@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362827511 280213474 /nfs/dbraw/zinc/21/34/74/280213474.db2.gz RIFRSEFLMBXODA-VIFPVBQESA-N -1 0 276.296 2.523 20 5 CFBDRM O=C(Nc1ccccc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000070870661 280485237 /nfs/dbraw/zinc/48/52/37/280485237.db2.gz LJCXCOKEPFRPLY-UHFFFAOYSA-N -1 0 276.223 2.692 20 5 CFBDRM CC1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000175647293 280933844 /nfs/dbraw/zinc/93/38/44/280933844.db2.gz MFKSEMDDJUXDIS-UHFFFAOYSA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000228071477 280935610 /nfs/dbraw/zinc/93/56/10/280935610.db2.gz RUECXMXTXWUOHG-GXSJLCMTSA-N -1 0 278.308 2.609 20 5 CFBDRM CC1(C)CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000217316044 281050414 /nfs/dbraw/zinc/05/04/14/281050414.db2.gz DWGMKEIBWRRVKK-JTQLQIEISA-N -1 0 292.335 2.999 20 5 CFBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccc(F)cc1 ZINC000255868982 281109116 /nfs/dbraw/zinc/10/91/16/281109116.db2.gz WGAGPCRSOIICJO-UTCJRWHESA-N -1 0 288.234 2.998 20 5 CFBDRM CC1(C)CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000219046640 281135325 /nfs/dbraw/zinc/13/53/25/281135325.db2.gz JKQTXBOVKLPFJE-JTQLQIEISA-N -1 0 278.308 2.609 20 5 CFBDRM CC[C@@H](C)[C@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000433410570 281234028 /nfs/dbraw/zinc/23/40/28/281234028.db2.gz NUHFPWGJQHYZCQ-ZJUUUORDSA-N -1 0 290.323 2.913 20 5 CFBDRM CC1(C)CC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000515851286 281299044 /nfs/dbraw/zinc/29/90/44/281299044.db2.gz BJVQCGJCWZDMJH-SNVBAGLBSA-N -1 0 294.307 2.663 20 5 CFBDRM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000331238609 288350144 /nfs/dbraw/zinc/35/01/44/288350144.db2.gz NITJHQFJXXWWGX-ONGXEEELSA-N -1 0 278.308 2.561 20 5 CFBDRM COCC[C@@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000563206073 290117809 /nfs/dbraw/zinc/11/78/09/290117809.db2.gz YMZKCDJDCFHWRT-SECBINFHSA-N -1 0 296.323 2.686 20 5 CFBDRM CO[C@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000564335034 290204295 /nfs/dbraw/zinc/20/42/95/290204295.db2.gz JGGCMMVOWHICCN-UWVGGRQHSA-N -1 0 294.307 2.581 20 5 CFBDRM Cc1cc(N[C@H]2CCO[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034990 290261798 /nfs/dbraw/zinc/26/17/98/290261798.db2.gz KMNRQJGQADNGEA-ZJUUUORDSA-N -1 0 294.307 2.581 20 5 CFBDRM Cc1cc(NC[C@@H](C)C(=O)[O-])c2cccc([N+](=O)[O-])c2n1 ZINC000565040486 290262218 /nfs/dbraw/zinc/26/22/18/290262218.db2.gz IBBMLVSKWXMNHT-MRVPVSSYSA-N -1 0 289.291 2.584 20 5 CFBDRM C[C@H]1CC2(CCC2)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432622201 290359753 /nfs/dbraw/zinc/35/97/53/290359753.db2.gz MTVJQRPLPHNKPK-JTQLQIEISA-N -1 0 290.319 2.705 20 5 CFBDRM Cc1cc(N[C@H]2CCCSC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566293142 290367816 /nfs/dbraw/zinc/36/78/16/290367816.db2.gz HBAOCEDHXVNEND-VIFPVBQESA-N -1 0 296.348 2.909 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2CCCCC[C@@H]21 ZINC000372246266 304534498 /nfs/dbraw/zinc/53/44/98/304534498.db2.gz BIGPZRGNKVJWST-GWCFXTLKSA-N -1 0 290.319 2.705 20 5 CFBDRM C[C@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000136680135 298255289 /nfs/dbraw/zinc/25/52/89/298255289.db2.gz KYMGWTUIDJDCLV-SECBINFHSA-N -1 0 290.319 2.704 20 5 CFBDRM C[C@H]1CC[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000155517615 300059164 /nfs/dbraw/zinc/05/91/64/300059164.db2.gz ATQMSPXCZKMDAY-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC(C)(C)C1 ZINC000436916707 300194196 /nfs/dbraw/zinc/19/41/96/300194196.db2.gz AXDHPAOPFNUTER-SNVBAGLBSA-N -1 0 292.335 2.809 20 5 CFBDRM O=C(CC1CCSCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166144324 322386032 /nfs/dbraw/zinc/38/60/32/322386032.db2.gz IEKHHVROHICRSL-UHFFFAOYSA-N -1 0 296.348 2.772 20 5 CFBDRM O=C([O-])Cc1ccc(N[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000570048111 322511195 /nfs/dbraw/zinc/51/11/95/322511195.db2.gz HWXYQQSAGFNXIB-NSHDSACASA-N -1 0 276.292 2.743 20 5 CFBDRM Cc1cc(N2CCC(CF)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570096602 322513759 /nfs/dbraw/zinc/51/37/59/322513759.db2.gz PDOBLHPFDIJGFD-UHFFFAOYSA-N -1 0 296.298 2.787 20 5 CFBDRM CO[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CC(C)C ZINC000574522010 322696127 /nfs/dbraw/zinc/69/61/27/322696127.db2.gz OSXFKWSJNKXGGT-LLVKDONJSA-N -1 0 296.323 2.766 20 5 CFBDRM CCC[C@@H]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000574881726 322709816 /nfs/dbraw/zinc/70/98/16/322709816.db2.gz VKGXFJKIBVROMS-SNVBAGLBSA-N -1 0 293.323 2.705 20 5 CFBDRM Cc1csc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000379142155 324401783 /nfs/dbraw/zinc/40/17/83/324401783.db2.gz SOUANXKKVIEUTG-UHFFFAOYSA-N -1 0 293.304 2.670 20 5 CFBDRM O=C([O-])c1ccnc(SC2CCCC2)c1[N+](=O)[O-] ZINC000385886776 324469646 /nfs/dbraw/zinc/46/96/46/324469646.db2.gz CRXRPFJAJDQHRY-UHFFFAOYSA-N -1 0 268.294 2.723 20 5 CFBDRM Cc1cc(NC[C@H]2CCCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575991914 324563824 /nfs/dbraw/zinc/56/38/24/324563824.db2.gz IOUTVVWRRPSGON-LLVKDONJSA-N -1 0 294.307 2.582 20 5 CFBDRM C[C@H]1CCC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000578134866 324819828 /nfs/dbraw/zinc/81/98/28/324819828.db2.gz IHNHTZQYAANNDS-GXSJLCMTSA-N -1 0 278.308 2.822 20 5 CFBDRM Cc1cc(N2C[C@@H]3CCC[C@H]3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000579956203 324994134 /nfs/dbraw/zinc/99/41/34/324994134.db2.gz FNGVFVVCBUPOOU-QWRGUYRKSA-N -1 0 290.319 2.838 20 5 CFBDRM CC[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000581946429 325162488 /nfs/dbraw/zinc/16/24/88/325162488.db2.gz MSNREXJRMDRTOD-GHMZBOCLSA-N -1 0 294.307 2.663 20 5 CFBDRM CC[C@H](C[C@H](C)CO)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582910454 325244535 /nfs/dbraw/zinc/24/45/35/325244535.db2.gz KCHKYCUXDHDJDB-VHSXEESVSA-N -1 0 296.323 2.502 20 5 CFBDRM CN(CCC1CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583996690 325323624 /nfs/dbraw/zinc/32/36/24/325323624.db2.gz YUVBBZKNYIREQQ-UHFFFAOYSA-N -1 0 298.726 2.826 20 5 CFBDRM C[C@H](CC(C)(C)C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000384729177 336130039 /nfs/dbraw/zinc/13/00/39/336130039.db2.gz OZESBMKXJJWERA-MRVPVSSYSA-N -1 0 281.312 2.925 20 5 CFBDRM CC(C)(CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000360781394 519214867 /nfs/dbraw/zinc/21/48/67/519214867.db2.gz PKZLNFHMFCZJCH-UHFFFAOYSA-N -1 0 292.335 2.857 20 5 CFBDRM CCC1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000159988245 519856430 /nfs/dbraw/zinc/85/64/30/519856430.db2.gz XAXNUXITWHLCDT-UHFFFAOYSA-N -1 0 292.335 2.999 20 5 CFBDRM CC1(C)CCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000360876752 520345630 /nfs/dbraw/zinc/34/56/30/520345630.db2.gz YDTSTTIAAUTZPA-LLVKDONJSA-N -1 0 292.335 2.857 20 5 CFBDRM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000426805864 534531121 /nfs/dbraw/zinc/53/11/21/534531121.db2.gz GNSPJIVKFDZRJQ-GFCCVEGCSA-N -1 0 292.316 2.572 20 5 CFBDRM CCC(CC)(CNc1nc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000165063273 521445358 /nfs/dbraw/zinc/44/53/58/521445358.db2.gz BVTNUIRHFGWLCP-UHFFFAOYSA-N -1 0 281.312 2.601 20 5 CFBDRM CCCN(CCC)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233013222 521640786 /nfs/dbraw/zinc/64/07/86/521640786.db2.gz DUNHLIHCTMKOFF-UHFFFAOYSA-N -1 0 266.297 2.563 20 5 CFBDRM CCc1occc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000234180350 523016365 /nfs/dbraw/zinc/01/63/65/523016365.db2.gz OUZVUTALJCINBM-UHFFFAOYSA-N -1 0 276.248 2.708 20 5 CFBDRM CC[C@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000217315810 523121136 /nfs/dbraw/zinc/12/11/36/523121136.db2.gz KMPWDRHBFFOEHO-WDEREUQCSA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000361654360 524384655 /nfs/dbraw/zinc/38/46/55/524384655.db2.gz KTUGNEXPBXFOOH-IUCAKERBSA-N -1 0 264.281 2.675 20 5 CFBDRM Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000235921524 524657904 /nfs/dbraw/zinc/65/79/04/524657904.db2.gz VVEGLXBJCLPQRD-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](C2CC2)C1 ZINC000378125607 526778240 /nfs/dbraw/zinc/77/82/40/526778240.db2.gz AVOYRSMSSZWFGR-NSHDSACASA-N -1 0 290.319 2.563 20 5 CFBDRM O=C([O-])CCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000050924043 527575252 /nfs/dbraw/zinc/57/52/52/527575252.db2.gz VQCWUFDLOCIXTB-UHFFFAOYSA-N -1 0 278.308 2.676 20 5 CFBDRM C[C@@H](CC(=O)[O-])SCCCOc1ccc([N+](=O)[O-])cc1 ZINC000736552829 574060067 /nfs/dbraw/zinc/06/00/67/574060067.db2.gz RRMMVDZGAGOXOV-JTQLQIEISA-N -1 0 299.348 2.960 20 5 CFBDRM C[C@@H](C(=O)[N-]OC1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000754428557 574095492 /nfs/dbraw/zinc/09/54/92/574095492.db2.gz IXFFUHDRJRUQQY-SECBINFHSA-N -1 0 296.298 2.828 20 5 CFBDRM CN(CC1CC1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000737409923 574139205 /nfs/dbraw/zinc/13/92/05/574139205.db2.gz NJJNHNGLFDESDV-UHFFFAOYSA-N -1 0 284.699 2.793 20 5 CFBDRM C[C@@H]1CC=CC[C@H]1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000746462760 574150271 /nfs/dbraw/zinc/15/02/71/574150271.db2.gz MKRDNWRPLWGDIL-ZJUUUORDSA-N -1 0 264.281 2.682 20 5 CFBDRM Cc1cc(NCCSCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000738459995 574170094 /nfs/dbraw/zinc/17/00/94/574170094.db2.gz NSIUUBNOSXEPDU-UHFFFAOYSA-N -1 0 284.337 2.523 20 5 CFBDRM O=C([O-])N1CCCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000740519645 574253780 /nfs/dbraw/zinc/25/37/80/574253780.db2.gz OUVLDHWFQMEJJL-NSHDSACASA-N -1 0 279.296 2.539 20 5 CFBDRM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000742833832 574296018 /nfs/dbraw/zinc/29/60/18/574296018.db2.gz HZNFRQHJDNQUCA-XGLGWPIMSA-N -1 0 276.292 2.903 20 5 CFBDRM C[C@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000750414433 574338434 /nfs/dbraw/zinc/33/84/34/574338434.db2.gz KDTPRWWFUNGHGB-SNVBAGLBSA-N -1 0 274.276 2.711 20 5 CFBDRM CC(=O)c1ccc(S[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000736196913 574353762 /nfs/dbraw/zinc/35/37/62/574353762.db2.gz QCHZUJNMXHTSSR-SSDOTTSWSA-N -1 0 283.305 2.753 20 5 CFBDRM C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000736216522 574354724 /nfs/dbraw/zinc/35/47/24/574354724.db2.gz QWZUYOSTHUNVOY-MRVPVSSYSA-N -1 0 294.307 2.914 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCCc2ccccc2)c1 ZINC000036225931 600836548 /nfs/dbraw/zinc/83/65/48/600836548.db2.gz NCAOLQXXPVBVMV-UHFFFAOYSA-N -1 0 287.271 2.915 20 5 CFBDRM Cc1cc(C(=O)O[C@H](CC(C)C)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832868839 600954860 /nfs/dbraw/zinc/95/48/60/600954860.db2.gz WSAAKJLDKIZWBU-GFCCVEGCSA-N -1 0 295.291 2.559 20 5 CFBDRM Cc1csc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000094966928 601099016 /nfs/dbraw/zinc/09/90/16/601099016.db2.gz AOYMKHNTWKLFGT-UHFFFAOYSA-N -1 0 294.288 2.637 20 5 CFBDRM O=C([O-])Cc1cccc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000819580000 601966675 /nfs/dbraw/zinc/96/66/75/601966675.db2.gz XGZNZJVTUQVNQG-UHFFFAOYSA-N -1 0 286.287 2.834 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(Oc2ccc(C(=O)[O-])cc2)n1 ZINC000163013142 602248468 /nfs/dbraw/zinc/24/84/68/602248468.db2.gz RQGGZJXYZGAHFT-UHFFFAOYSA-N -1 0 274.232 2.789 20 5 CFBDRM C[C@@H]1C[C@H]1Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000828200985 604263111 /nfs/dbraw/zinc/26/31/11/604263111.db2.gz MWONNBNHVPZLCD-SVGQVSJJSA-N -1 0 270.672 2.767 20 5 CFBDRM C[C@H]1CCCN1c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000828272014 604268621 /nfs/dbraw/zinc/26/86/21/604268621.db2.gz STNFKMNAKMBMJK-ZETCQYMHSA-N -1 0 284.699 2.935 20 5 CFBDRM O=C([O-])c1occc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC000833346101 604808105 /nfs/dbraw/zinc/80/81/05/604808105.db2.gz INSXAGBENJCDCE-UHFFFAOYSA-N -1 0 281.195 2.604 20 5 CFBDRM COc1cc(F)c([N+](=O)[O-])c(SC[C@H](C)C(=O)[O-])c1 ZINC000833729956 604828365 /nfs/dbraw/zinc/82/83/65/604828365.db2.gz VLQWQORCVVBIPU-LURJTMIESA-N -1 0 289.284 2.555 20 5 CFBDRM CCOc1cc(N[C@H](C(=O)[O-])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000833660348 604832951 /nfs/dbraw/zinc/83/29/51/604832951.db2.gz IXWUTQGELKSBII-GFCCVEGCSA-N -1 0 296.323 2.905 20 5 CFBDRM C[C@H]1C[C@H](C)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211920358 605163191 /nfs/dbraw/zinc/16/31/91/605163191.db2.gz PXZICITUOYNSCB-UWVGGRQHSA-N -1 0 278.308 2.775 20 5 CFBDRM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120078926 617605708 /nfs/dbraw/zinc/60/57/08/617605708.db2.gz FCOMQVMIBLAKOM-UHFFFAOYSA-N -1 0 298.345 2.766 20 5 CFBDRM CC(C)c1nn(C)cc1-c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000901005166 620740792 /nfs/dbraw/zinc/74/07/92/620740792.db2.gz ZHIRJEKJCFNUJC-UHFFFAOYSA-N -1 0 289.291 2.817 20 5 CFBDRM C[C@H]1SCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000311732604 618721321 /nfs/dbraw/zinc/72/13/21/618721321.db2.gz RHRCENBNSNDOFV-XCBNKYQSSA-N -1 0 282.321 2.599 20 5 CFBDRM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000119319662 618801575 /nfs/dbraw/zinc/80/15/75/618801575.db2.gz UQTNXUATBGRCST-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM O=C([O-])[C@H]1[C@@H]2c3cccc(-c4ccc([N+](=O)[O-])nc4)c3C[C@H]12 ZINC000906251489 621959753 /nfs/dbraw/zinc/95/97/53/621959753.db2.gz WPYLTUJPFCLFFE-NWANDNLSSA-N -1 0 296.282 2.627 20 5 CFBDRM C/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ncccn1 ZINC000821017066 622821424 /nfs/dbraw/zinc/82/14/24/622821424.db2.gz BSMPXWMYLAFGRP-CLFYSBASSA-N -1 0 257.249 2.651 20 5 CFBDRM CC(C)(CNc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000164878715 622970923 /nfs/dbraw/zinc/97/09/23/622970923.db2.gz VILANCOSAKGSGX-UHFFFAOYSA-N -1 0 289.291 2.666 20 5 CFBDRM C[C@@]1(CCOC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@@]1(F)Cl ZINC000822071171 623027120 /nfs/dbraw/zinc/02/71/20/623027120.db2.gz VCYKFNXZCKISIM-MNOVXSKESA-N -1 0 290.678 2.784 20 5 CFBDRM CC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000062874862 623301571 /nfs/dbraw/zinc/30/15/71/623301571.db2.gz HIRWOBLGCXFNLE-AWEZNQCLSA-N -1 0 278.308 2.676 20 5 CFBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000062874863 623302101 /nfs/dbraw/zinc/30/21/01/623302101.db2.gz HIRWOBLGCXFNLE-CQSZACIVSA-N -1 0 278.308 2.676 20 5 CFBDRM Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000916854371 624288486 /nfs/dbraw/zinc/28/84/86/624288486.db2.gz HVRSDFLINJZQDH-UHFFFAOYSA-N -1 0 260.249 2.759 20 5 CFBDRM Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000918502102 624440364 /nfs/dbraw/zinc/44/03/64/624440364.db2.gz DJJHUXZAARSBCC-UHFFFAOYSA-N -1 0 260.249 2.588 20 5 CFBDRM O=C([O-])/C=C/c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000920957592 624788121 /nfs/dbraw/zinc/78/81/21/624788121.db2.gz WYJUCIOWXREGCH-GQCTYLIASA-N -1 0 299.286 2.700 20 5 CFBDRM CC(C)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000920957579 624788351 /nfs/dbraw/zinc/78/83/51/624788351.db2.gz UZHWYCCPEWZLEU-GQCTYLIASA-N -1 0 264.281 2.761 20 5 CFBDRM CCCCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232947313 624912045 /nfs/dbraw/zinc/91/20/45/624912045.db2.gz WNNJONHBFIFPRU-UHFFFAOYSA-N -1 0 266.297 2.611 20 5 CFBDRM CCc1onc(C)c1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000760079628 626712948 /nfs/dbraw/zinc/71/29/48/626712948.db2.gz PZOLMTAATIIWKU-UHFFFAOYSA-N -1 0 293.254 2.845 20 5 CFBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1F ZINC000779272770 628367834 /nfs/dbraw/zinc/36/78/34/628367834.db2.gz DJVDLODGKKHGGE-QMMMGPOBSA-N -1 0 278.239 2.980 20 5 CFBDRM O=C(CCC1CCC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837561338 631066837 /nfs/dbraw/zinc/06/68/37/631066837.db2.gz OBKAIUCJHDAEPR-UHFFFAOYSA-N -1 0 279.292 2.924 20 5 CFBDRM CS[C@H](C)CCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837613730 631086096 /nfs/dbraw/zinc/08/60/96/631086096.db2.gz XCJQBFQKRXOOOB-SECBINFHSA-N -1 0 299.348 2.875 20 5 CFBDRM C[C@H]1CC[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000837616906 631087349 /nfs/dbraw/zinc/08/73/49/631087349.db2.gz RVQDSYMDHLGPIW-VHSXEESVSA-N -1 0 279.292 2.780 20 5 CFBDRM CC[C@@H](C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837662377 631100856 /nfs/dbraw/zinc/10/08/56/631100856.db2.gz KTTFTWMKAIJHRV-SECBINFHSA-N -1 0 267.281 2.780 20 5 CFBDRM CC(C)[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000841489344 631416638 /nfs/dbraw/zinc/41/66/38/631416638.db2.gz FXEHFOCOZSMSHY-JTQLQIEISA-N -1 0 295.320 2.726 20 5 CFBDRM Cn1nc([N-]c2nc3ccccn3c2[N+](=O)[O-])cc1C1CC1 ZINC000811851159 631632327 /nfs/dbraw/zinc/63/23/27/631632327.db2.gz ZAGXQSNAOVTODU-UHFFFAOYSA-N -1 0 298.306 2.597 20 5 CFBDRM Cc1cc(NC[C@@H]2CCC=CO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844208369 632134282 /nfs/dbraw/zinc/13/42/82/632134282.db2.gz KLUJXWBOZPABBY-NSHDSACASA-N -1 0 292.291 2.706 20 5 CFBDRM C[C@H]1[C@@H](C)N(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000844210478 632135542 /nfs/dbraw/zinc/13/55/42/632135542.db2.gz ZEITUUXKJDHTKQ-GMTAPVOTSA-N -1 0 292.335 2.703 20 5 CFBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000844210481 632135623 /nfs/dbraw/zinc/13/56/23/632135623.db2.gz ZEITUUXKJDHTKQ-VWYCJHECSA-N -1 0 292.335 2.703 20 5 CFBDRM CC(C)[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844214934 632136664 /nfs/dbraw/zinc/13/66/64/632136664.db2.gz LUCMNCZUEWKXMV-GFCCVEGCSA-N -1 0 292.335 2.704 20 5 CFBDRM C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)C1CCC1 ZINC000817753685 632705657 /nfs/dbraw/zinc/70/56/57/632705657.db2.gz YFLYKEDBXFLEMF-QMMMGPOBSA-N -1 0 252.270 2.516 20 5 CFBDRM CN(C[C@H]1CC1(C)C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000853030258 634882473 /nfs/dbraw/zinc/88/24/73/634882473.db2.gz UHTLIMYFQUEUEF-LLVKDONJSA-N -1 0 292.335 2.704 20 5 CFBDRM O=C([O-])c1cc(N2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000019845136 642076291 /nfs/dbraw/zinc/07/62/91/642076291.db2.gz SEBRSFHZMRHNQY-UHFFFAOYSA-N -1 0 284.271 2.987 20 5 CFBDRM CC(C)(C)[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CCO1 ZINC000873574066 642256296 /nfs/dbraw/zinc/25/62/96/642256296.db2.gz MXTACIGWQROEDC-MWLCHTKSSA-N -1 0 296.323 2.673 20 5 CFBDRM C[C@]1(C(=O)[O-])CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124705371 642301753 /nfs/dbraw/zinc/30/17/53/642301753.db2.gz NEYUYNKKEHMINS-LBPRGKRZSA-N -1 0 284.699 2.549 20 5 CFBDRM O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000874972401 642563816 /nfs/dbraw/zinc/56/38/16/642563816.db2.gz AYTOEAUMIMDVRE-UHFFFAOYSA-N -1 0 277.257 2.834 20 5 CFBDRM CCC[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000087512255 650804611 /nfs/dbraw/zinc/80/46/11/650804611.db2.gz RHEUJEPZIZMMJQ-SNVBAGLBSA-N -1 0 266.297 2.816 20 5 CFBDRM CCOc1cccc(NCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000134890214 646401357 /nfs/dbraw/zinc/40/13/57/646401357.db2.gz MDMAXCSMTGFNFF-UHFFFAOYSA-N -1 0 282.296 2.516 20 5 CFBDRM O=C([O-])[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000693033993 770126317 /nfs/dbraw/zinc/12/63/17/770126317.db2.gz PHZPTMMIMTZAOO-LJGSYFOKSA-N -1 0 270.672 2.523 20 5 CFBDRM Cc1cn2c(n1)[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])CCC2 ZINC001225491707 775478268 /nfs/dbraw/zinc/47/82/68/775478268.db2.gz RXHFWLAVEFJHIT-LBPRGKRZSA-N -1 0 289.291 2.719 20 5 CFBDRM C[C@@H](CC(=O)OC(C)(C)C)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225488962 775479144 /nfs/dbraw/zinc/47/91/44/775479144.db2.gz OCGJTINZZSEXJY-VIFPVBQESA-N -1 0 297.307 2.800 20 5 CFBDRM O=[N+]([O-])c1c([O-])cccc1OC[C@@H]1Cc2ccccc2O1 ZINC001225624529 775530448 /nfs/dbraw/zinc/53/04/48/775530448.db2.gz YRRGPQXYIYDDOB-NSHDSACASA-N -1 0 287.271 2.683 20 5 CFBDRM O=c1ncc([N+](=O)[O-])c(O[C@H]2CCCc3ccccc32)[n-]1 ZINC001226331477 775782025 /nfs/dbraw/zinc/78/20/25/775782025.db2.gz KJGLQBJZBRGVCK-LBPRGKRZSA-N -1 0 287.275 2.547 20 5 CFBDRM CC[C@H](C)C[C@H](CC)Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226331509 775782946 /nfs/dbraw/zinc/78/29/46/775782946.db2.gz LHPAXUAOYCPYRC-IUCAKERBSA-N -1 0 269.301 2.684 20 5 CFBDRM Cc1nnc(=S)[n-]c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001227599284 776237923 /nfs/dbraw/zinc/23/79/23/776237923.db2.gz XRLFTZINZHERIM-QMMMGPOBSA-N -1 0 292.320 2.517 20 5 CFBDRM Cc1nnc(=S)[n-]c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001227600483 776238086 /nfs/dbraw/zinc/23/80/86/776238086.db2.gz DGJCRBGXQJFGCD-QMMMGPOBSA-N -1 0 292.320 2.517 20 5 CFBDRM CSc1nc(O[C@H](C)C2CCCC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227629315 776247919 /nfs/dbraw/zinc/24/79/19/776247919.db2.gz UYQCMEHBPHDSFG-SSDOTTSWSA-N -1 0 299.352 2.770 20 5 CFBDRM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC001227743530 776276026 /nfs/dbraw/zinc/27/60/26/776276026.db2.gz SAFYKLDCPXADLN-YFKPBYRVSA-N -1 0 275.186 2.801 20 5 CFBDRM CCC(CC)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241986 776432125 /nfs/dbraw/zinc/43/21/25/776432125.db2.gz HMEHMIPMDATNDS-UHFFFAOYSA-N -1 0 277.280 2.811 20 5 CFBDRM CC[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228609712 776538305 /nfs/dbraw/zinc/53/83/05/776538305.db2.gz GWZFHVHKFUDAEF-VIFPVBQESA-N -1 0 281.312 2.781 20 5 CFBDRM CC(C)=CCC[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229379588 776795696 /nfs/dbraw/zinc/79/56/96/776795696.db2.gz VBTSOBICITZEPG-SECBINFHSA-N -1 0 281.312 2.913 20 5 CFBDRM Cc1ccc([C@H](C)Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001229380866 776797037 /nfs/dbraw/zinc/79/70/37/776797037.db2.gz MFVDFXYAVWTUGE-VIFPVBQESA-N -1 0 289.291 2.847 20 5 CFBDRM CC(C)CC[C@H](C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231072052 777131809 /nfs/dbraw/zinc/13/18/09/777131809.db2.gz QNOPZPZTWQGDPS-ZETCQYMHSA-N -1 0 289.719 2.947 20 5 CFBDRM CCC[C@H](CC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231259440 777178949 /nfs/dbraw/zinc/17/89/49/777178949.db2.gz LNTMEHVYLHAEQB-VIFPVBQESA-N -1 0 254.286 2.961 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H]2CC[C@H](C)CC2)[n-]1 ZINC001231260633 777180459 /nfs/dbraw/zinc/18/04/59/777180459.db2.gz UYNSNJDIEIEOPZ-CZMCAQCFSA-N -1 0 266.297 2.961 20 5 CFBDRM O=C([O-])c1cc(N[C@@H]2CC23CCC3)ccc1[N+](=O)[O-] ZINC000721272761 779510775 /nfs/dbraw/zinc/51/07/75/779510775.db2.gz QSWIQLHBEKWTRH-LLVKDONJSA-N -1 0 262.265 2.648 20 5 CFBDRM CSCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000130889120 779610964 /nfs/dbraw/zinc/61/09/64/779610964.db2.gz NDPUJAYIOMBSKN-MRVPVSSYSA-N -1 0 284.337 2.847 20 5 CFBDRM C[C@]1(C(=O)[O-])CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000126235692 780582953 /nfs/dbraw/zinc/58/29/53/780582953.db2.gz MRPXLFQXQUWOGI-YPMHNXCESA-N -1 0 264.281 2.650 20 5 CFBDRM CC(C)(F)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000594736121 349484837 /nfs/dbraw/zinc/48/48/37/349484837.db2.gz QGFUABHASKBDFI-UHFFFAOYSA-N -1 0 270.260 2.843 20 5 CFBDRM COc1ccc([N+](=O)[O-])c(NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC000594734604 349483798 /nfs/dbraw/zinc/48/37/98/349483798.db2.gz CGZKTHZIOSRUMQ-JTQLQIEISA-N -1 0 294.307 2.516 20 5 CFBDRM C[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119032109 297220841 /nfs/dbraw/zinc/22/08/41/297220841.db2.gz NISVNLZNPVEJRH-VHSXEESVSA-N -1 0 278.308 2.561 20 5 CFBDRM O=C(NCCC1=CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000158080183 232239589 /nfs/dbraw/zinc/23/95/89/232239589.db2.gz GRASELVSHYBRNL-UHFFFAOYSA-N -1 0 276.292 2.531 20 5 CFBDRM C[C@H]1CCC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160110833 232246974 /nfs/dbraw/zinc/24/69/74/232246974.db2.gz VYEMPCUZCGXBJA-WDEREUQCSA-N -1 0 292.335 2.857 20 5 CFBDRM Cc1cscc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000161610186 232252595 /nfs/dbraw/zinc/25/25/95/232252595.db2.gz FWJFFPXZFHOMSI-UHFFFAOYSA-N -1 0 298.345 2.766 20 5 CFBDRM CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000026834128 346266764 /nfs/dbraw/zinc/26/67/64/346266764.db2.gz WXGGTBTYJOKYNO-UHFFFAOYSA-N -1 0 298.349 2.713 20 5 CFBDRM CCO[C@H](CC)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000596622040 349959468 /nfs/dbraw/zinc/95/94/68/349959468.db2.gz UADUZTFGKQHANL-LLVKDONJSA-N -1 0 293.279 2.838 20 5 CFBDRM Cc1cc(NC[C@@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000087507086 347496281 /nfs/dbraw/zinc/49/62/81/347496281.db2.gz AQEZMEVZSBAQCC-LLVKDONJSA-N -1 0 266.297 2.672 20 5 CFBDRM CC(C)C[C@H](CNc1ccncc1[N+](=O)[O-])CC(=O)[O-] ZINC000088274130 347500825 /nfs/dbraw/zinc/50/08/25/347500825.db2.gz JYXVBLDETGLVOJ-JTQLQIEISA-N -1 0 281.312 2.539 20 5 CFBDRM O=C([O-])c1cc(NCCC2CC2)ccc1[N+](=O)[O-] ZINC000088459247 347503535 /nfs/dbraw/zinc/50/35/35/347503535.db2.gz IFCWYBDOXKFWHW-UHFFFAOYSA-N -1 0 250.254 2.505 20 5 CFBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000092540219 347631656 /nfs/dbraw/zinc/63/16/56/347631656.db2.gz GXXUQEJCPWNNND-NXEZZACHSA-N -1 0 282.365 2.626 20 5 CFBDRM C[C@@H]1SCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000093499501 347677848 /nfs/dbraw/zinc/67/78/48/347677848.db2.gz VOBPWDIHBRBTTM-UWVGGRQHSA-N -1 0 282.365 2.626 20 5 CFBDRM CCOc1cccc(S[C@@H](CC)C(=O)[O-])c1[N+](=O)[O-] ZINC000097824245 347710364 /nfs/dbraw/zinc/71/03/64/347710364.db2.gz BPADFPKVWANRKY-VIFPVBQESA-N -1 0 285.321 2.949 20 5 CFBDRM C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000111762318 347756083 /nfs/dbraw/zinc/75/60/83/347756083.db2.gz YJXSWIXCDWHFFJ-JTQLQIEISA-N -1 0 278.308 2.919 20 5 CFBDRM CCC(CC)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000125116728 347827567 /nfs/dbraw/zinc/82/75/67/347827567.db2.gz GYSKFFVEJHEFPH-UHFFFAOYSA-N -1 0 267.285 2.536 20 5 CFBDRM Cc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000143482473 347937460 /nfs/dbraw/zinc/93/74/60/347937460.db2.gz IXUUBQJMRFQHCA-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1N1CCC[C@](C)(C(=O)[O-])C1 ZINC000157209180 347998810 /nfs/dbraw/zinc/99/88/10/347998810.db2.gz YABBIGLJKMBESL-AWEZNQCLSA-N -1 0 278.308 2.594 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC12CCCC2 ZINC000361663041 304003343 /nfs/dbraw/zinc/00/33/43/304003343.db2.gz SGVJKXPIGNKRLG-JTQLQIEISA-N -1 0 276.292 2.819 20 5 CFBDRM C[C@@H]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000157379768 348000830 /nfs/dbraw/zinc/00/08/30/348000830.db2.gz MRDSWCZFURXURX-RKDXNWHRSA-N -1 0 264.281 2.528 20 5 CFBDRM Cc1ccc2c(c1)N(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000164681713 348037225 /nfs/dbraw/zinc/03/72/25/348037225.db2.gz VQACTTTXGDTCCR-UHFFFAOYSA-N -1 0 298.298 2.812 20 5 CFBDRM Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000218755572 348167332 /nfs/dbraw/zinc/16/73/32/348167332.db2.gz YSKBYWOQCVDRCD-UHFFFAOYSA-N -1 0 286.287 2.539 20 5 CFBDRM CC(C)N(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000232634941 348212212 /nfs/dbraw/zinc/21/22/12/348212212.db2.gz LILJYOFVNSOBDM-UHFFFAOYSA-N -1 0 278.308 2.561 20 5 CFBDRM O=C(Nc1ncc(Cl)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586787771 348752267 /nfs/dbraw/zinc/75/22/67/348752267.db2.gz IVQMOQBDORZFFD-UHFFFAOYSA-N -1 0 299.695 2.663 20 5 CFBDRM CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000591325065 349009584 /nfs/dbraw/zinc/00/95/84/349009584.db2.gz FCHJJEZYAUVSRU-RCOVLWMOSA-N -1 0 258.299 2.568 20 5 CFBDRM O=C([O-])C1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000591326679 349010399 /nfs/dbraw/zinc/01/03/99/349010399.db2.gz BYEQMVBSTNSFFE-UHFFFAOYSA-N -1 0 270.310 2.712 20 5 CFBDRM CCC(CC)(CNc1sccc1[N+](=O)[O-])C(=O)[O-] ZINC000591687107 349038576 /nfs/dbraw/zinc/03/85/76/349038576.db2.gz BECKHHPIHBHJMO-UHFFFAOYSA-N -1 0 272.326 2.959 20 5 CFBDRM CC(C)(CCNc1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000591687342 349038609 /nfs/dbraw/zinc/03/86/09/349038609.db2.gz JNZCWAAGZYHVHD-UHFFFAOYSA-N -1 0 258.299 2.569 20 5 CFBDRM C[C@@H](C[C@@H]1CCOC1)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592975639 349179367 /nfs/dbraw/zinc/17/93/67/349179367.db2.gz XEDPXXGYFZHLEF-UWVGGRQHSA-N -1 0 294.307 2.520 20 5 CFBDRM CCC[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592972508 349179534 /nfs/dbraw/zinc/17/95/34/349179534.db2.gz PXRUUOBPXVYGCA-CQSZACIVSA-N -1 0 296.323 2.564 20 5 CFBDRM CCOCCCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593189460 349226069 /nfs/dbraw/zinc/22/60/69/349226069.db2.gz QBBUKESXXZLJMG-UHFFFAOYSA-N -1 0 271.338 2.960 20 5 CFBDRM COCC[C@H](C)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593189512 349226471 /nfs/dbraw/zinc/22/64/71/349226471.db2.gz RRGZVVXYTMRHMZ-VIFPVBQESA-N -1 0 271.338 2.959 20 5 CFBDRM CCCN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271267874 191040227 /nfs/dbraw/zinc/04/02/27/191040227.db2.gz LDPWEKBFDZRYCT-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM O=C(NCC[C@@H]1CC=CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000600396630 350553795 /nfs/dbraw/zinc/55/37/95/350553795.db2.gz ZUFVIGFQKSAXCA-LLVKDONJSA-N -1 0 290.319 2.777 20 5 CFBDRM O=C([O-])c1cc(NCC[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000600677403 350595731 /nfs/dbraw/zinc/59/57/31/350595731.db2.gz FCXRMRZWNGUEGP-JTQLQIEISA-N -1 0 294.307 2.522 20 5 CFBDRM O=C([O-])Cc1ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000600677643 350595889 /nfs/dbraw/zinc/59/58/89/350595889.db2.gz GZKIYWBRXGGOEW-IJLUTSLNSA-N -1 0 290.319 2.822 20 5 CFBDRM O=C(NC[C@H]1CCCC12CC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000600804582 350615020 /nfs/dbraw/zinc/61/50/20/350615020.db2.gz NQSKCEIRJXYYGF-SNVBAGLBSA-N -1 0 290.319 2.611 20 5 CFBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(CCF)CC1 ZINC000601747660 350772134 /nfs/dbraw/zinc/77/21/34/350772134.db2.gz QVWRFOOFVLKZRZ-UHFFFAOYSA-N -1 0 296.298 2.512 20 5 CFBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CC[C@H]2C ZINC000601942195 350812211 /nfs/dbraw/zinc/81/22/11/350812211.db2.gz HHMSXBFEVWFKFN-LDYMZIIASA-N -1 0 273.292 2.652 20 5 CFBDRM CCCCCn1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000601944629 350812773 /nfs/dbraw/zinc/81/27/73/350812773.db2.gz NFAILZHSTZRSQT-UHFFFAOYSA-N -1 0 275.308 2.721 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C2CCCC1CCC2 ZINC000610356498 351558672 /nfs/dbraw/zinc/55/86/72/351558672.db2.gz RQDXAVWPRFCISE-UHFFFAOYSA-N -1 0 290.319 2.848 20 5 CFBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(C3CCC3)no2)c1 ZINC000614419944 352092645 /nfs/dbraw/zinc/09/26/45/352092645.db2.gz GLYSUNDDUCFLAD-UHFFFAOYSA-N -1 0 261.237 2.618 20 5 CFBDRM C=C/C(C)=C/CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000616175211 352296087 /nfs/dbraw/zinc/29/60/87/352296087.db2.gz FISGGBAJTHSHJT-RUDMXATFSA-N -1 0 262.265 2.761 20 5 CFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](C2CC2)C1 ZINC000292124619 198172466 /nfs/dbraw/zinc/17/24/66/198172466.db2.gz QVCMXAFLMXNEIZ-NSHDSACASA-N -1 0 290.319 2.563 20 5 CFBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccsc1 ZINC000619777743 353065992 /nfs/dbraw/zinc/06/59/92/353065992.db2.gz VSYFALBCWSDYER-MRVPVSSYSA-N -1 0 292.316 2.853 20 5 CFBDRM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000271726755 191293388 /nfs/dbraw/zinc/29/33/88/191293388.db2.gz RGIAOXRDUHFBEN-LURJTMIESA-N -1 0 294.204 2.672 20 5 CFBDRM O=C([O-])C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000020353678 304042070 /nfs/dbraw/zinc/04/20/70/304042070.db2.gz HECJZJATWSPBOH-UHFFFAOYSA-N -1 0 284.699 2.549 20 5 CFBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C1CC1)C1CC1 ZINC000179464225 189196018 /nfs/dbraw/zinc/19/60/18/189196018.db2.gz ADNISLLIRXGANA-UHFFFAOYSA-N -1 0 290.319 2.561 20 5 CFBDRM O=C(CC[C@H]1CCCCO1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180769796 189274614 /nfs/dbraw/zinc/27/46/14/189274614.db2.gz ZFKCSMIXAVOBCO-LLVKDONJSA-N -1 0 294.307 2.588 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC=CCC1 ZINC000183905524 189370526 /nfs/dbraw/zinc/37/05/26/189370526.db2.gz YLPVHEPGYPXXIQ-SECBINFHSA-N -1 0 262.265 2.595 20 5 CFBDRM O=C(NCCC1=CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427673905 239328133 /nfs/dbraw/zinc/32/81/33/239328133.db2.gz XWCRKICCJKEJGI-UHFFFAOYSA-N -1 0 290.319 2.921 20 5 CFBDRM C[C@@H]1Cc2ccccc2N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432565818 240020476 /nfs/dbraw/zinc/02/04/76/240020476.db2.gz CAPQTORLQBBCRT-SNVBAGLBSA-N -1 0 298.298 2.892 20 5 CFBDRM CC(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000444519718 241145663 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270.241 2.776 20 5 CFBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2C=CCCC2)cc1[O-] ZINC001231225420 777174604 /nfs/dbraw/zinc/17/46/04/777174604.db2.gz YIPSKAGIBOWIQL-MRVPVSSYSA-N -1 0 280.236 2.696 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H](C)c2ccncc2)[n-]1 ZINC001231259648 777178155 /nfs/dbraw/zinc/17/81/55/777178155.db2.gz OWNIOQKGKPDBLX-SECBINFHSA-N -1 0 275.264 2.539 20 5 CFBDRM Cc1ccc([C@@H](C)Oc2[n-]c(C)cc(=O)c2[N+](=O)[O-])cn1 ZINC001231259646 777178873 /nfs/dbraw/zinc/17/88/73/777178873.db2.gz OWHIIPCDZKWKEM-SNVBAGLBSA-N -1 0 289.291 2.847 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(OC2CCC(F)(F)CC2)[n-]1 ZINC001231259426 777178935 /nfs/dbraw/zinc/17/89/35/777178935.db2.gz LAYPDBKLRAQKJZ-UHFFFAOYSA-N -1 0 288.250 2.961 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(OC2CCC(C)CC2)[n-]1 ZINC001231260636 777179910 /nfs/dbraw/zinc/17/99/10/777179910.db2.gz UYNSNJDIEIEOPZ-UHFFFAOYSA-N -1 0 266.297 2.961 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C)Cc2ccco2)[n-]1 ZINC001231264894 777181691 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C[C@@H](Cc1ccsc1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596088558 349791115 /nfs/dbraw/zinc/79/11/15/349791115.db2.gz UPCVNSZCCKONRS-QMMMGPOBSA-N -1 0 279.321 2.800 20 5 CFBDRM C[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000408076248 299953954 /nfs/dbraw/zinc/95/39/54/299953954.db2.gz FQCFAMIXSPHYML-WDEREUQCSA-N -1 0 292.335 2.809 20 5 CFBDRM O=c1[nH]ccc(NC[C@@H]2C[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000596274621 349850254 /nfs/dbraw/zinc/85/02/54/349850254.db2.gz BFYAJXGNTVTSMO-UWVGGRQHSA-N -1 0 263.297 2.544 20 5 CFBDRM Cc1ccc(NC[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000087507747 347496198 /nfs/dbraw/zinc/49/61/98/347496198.db2.gz QPKLSIPTANTOLT-JTQLQIEISA-N -1 0 266.297 2.672 20 5 CFBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])n1cccc1 ZINC000092546938 347631359 /nfs/dbraw/zinc/63/13/59/347631359.db2.gz ACGJGSOVYXEYGJ-SNVBAGLBSA-N -1 0 289.291 2.692 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1CN(CC(F)F)C1CC1 ZINC000093276278 347666821 /nfs/dbraw/zinc/66/68/21/347666821.db2.gz 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271.338 2.960 20 5 CFBDRM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000593785288 349326672 /nfs/dbraw/zinc/32/66/72/349326672.db2.gz CHEITHBMRXEIDS-JOYOIKCWSA-N -1 0 292.335 2.855 20 5 CFBDRM CC[C@@H](C)N(CC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597858843 350144347 /nfs/dbraw/zinc/14/43/47/350144347.db2.gz WZEFDTZDHBSOET-SECBINFHSA-N -1 0 266.297 2.561 20 5 CFBDRM CC[C@H](CSC)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000091308804 180131737 /nfs/dbraw/zinc/13/17/37/180131737.db2.gz YUURBXGZCMJONG-SNVBAGLBSA-N -1 0 298.364 2.514 20 5 CFBDRM CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000598251454 350225340 /nfs/dbraw/zinc/22/53/40/350225340.db2.gz SFDBZVGMFHHIIL-AWEZNQCLSA-N -1 0 278.308 2.609 20 5 CFBDRM CC(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000598381659 350253668 /nfs/dbraw/zinc/25/36/68/350253668.db2.gz QGNZNWJGUWYMSS-UHFFFAOYSA-N -1 0 290.319 2.609 20 5 CFBDRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598443099 350270254 /nfs/dbraw/zinc/27/02/54/350270254.db2.gz BWRBITWVIUSPKU-CLYYMRHHSA-N -1 0 290.319 2.704 20 5 CFBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000599716756 350488624 /nfs/dbraw/zinc/48/86/24/350488624.db2.gz WKDHFMDXPVPHQY-LURJTMIESA-N -1 0 292.213 2.827 20 5 CFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCC2(CC2)CC1 ZINC000600769735 350607830 /nfs/dbraw/zinc/60/78/30/350607830.db2.gz YYFGYHSXAUHWQZ-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC2(CC2)CC1 ZINC000600770091 350607837 /nfs/dbraw/zinc/60/78/37/350607837.db2.gz UPCAYHRGZCOTIS-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM COC(=O)C(C)(C)CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000601085960 350664521 /nfs/dbraw/zinc/66/45/21/350664521.db2.gz BUFMETVYHRQAQM-UHFFFAOYSA-N -1 0 299.348 2.733 20 5 CFBDRM Cc1ncc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000601149201 350682105 /nfs/dbraw/zinc/68/21/05/350682105.db2.gz GSPFBBZRVKWZDQ-MRVPVSSYSA-N -1 0 293.348 2.916 20 5 CFBDRM 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296540342 /nfs/dbraw/zinc/54/03/42/296540342.db2.gz XDSREIGCGUDPJO-MNOVXSKESA-N -1 0 292.335 2.809 20 5 CFBDRM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000160347758 296659219 /nfs/dbraw/zinc/65/92/19/296659219.db2.gz NDBOMMFOWNPHKY-CKYFFXLPSA-N -1 0 292.335 2.855 20 5 CFBDRM CC1(C)CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000356767453 155360894 /nfs/dbraw/zinc/36/08/94/155360894.db2.gz KREYICOXPVMBOF-SNVBAGLBSA-N -1 0 278.308 2.609 20 5 CFBDRM Cc1nc(C)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000356804796 155375456 /nfs/dbraw/zinc/37/54/56/155375456.db2.gz OZTLLPFPQJYIKY-UHFFFAOYSA-N -1 0 293.304 2.626 20 5 CFBDRM C[C@@]1(C(=O)[O-])CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263441907 297882887 /nfs/dbraw/zinc/88/28/87/297882887.db2.gz XHARQPZWPVJMQN-GFCCVEGCSA-N -1 0 284.699 2.549 20 5 CFBDRM Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000352025661 154447953 /nfs/dbraw/zinc/44/79/53/154447953.db2.gz FTVQLPPDEPJSGQ-AATRIKPKSA-N -1 0 287.275 2.583 20 5 CFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC2(C1)CCCCC2 ZINC000376025725 157316320 /nfs/dbraw/zinc/31/63/20/157316320.db2.gz XNAXAXCRPDXERV-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM CC1(C)CCCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408417742 157396662 /nfs/dbraw/zinc/39/66/62/157396662.db2.gz SQFIOZUTJIKXIZ-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM CC1(C)CCCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000408418462 157396943 /nfs/dbraw/zinc/39/69/43/157396943.db2.gz YIFHXFNHCRMKJQ-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM CC1(C)CCCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000408414657 157397166 /nfs/dbraw/zinc/39/71/66/157397166.db2.gz HFXOUYXAZZCDRY-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccsc1 ZINC000349947755 163041503 /nfs/dbraw/zinc/04/15/03/163041503.db2.gz NDJHIRAXNMCVNT-UHFFFAOYSA-N -1 0 298.345 2.766 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccoc1 ZINC000351397400 163129592 /nfs/dbraw/zinc/12/95/92/163129592.db2.gz MBJYVHYYJIHUBW-UHFFFAOYSA-N -1 0 296.304 2.605 20 5 CFBDRM Cn1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000351786421 163194189 /nfs/dbraw/zinc/19/41/89/163194189.db2.gz ZYYRMWQHMLDZQQ-UHFFFAOYSA-N -1 0 295.682 2.545 20 5 CFBDRM CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000117422207 287051429 /nfs/dbraw/zinc/05/14/29/287051429.db2.gz RWMLSHXJVUSBQL-LLVKDONJSA-N -1 0 292.335 2.953 20 5 CFBDRM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000452530030 287072892 /nfs/dbraw/zinc/07/28/92/287072892.db2.gz PHLZUQJEHMDBHZ-ZYHUDNBSSA-N -1 0 292.335 2.857 20 5 CFBDRM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436888757 287077799 /nfs/dbraw/zinc/07/77/99/287077799.db2.gz OPCQAOKYUWLRMK-SKDRFNHKSA-N -1 0 278.308 2.609 20 5 CFBDRM O=C(Nc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000006534935 170211416 /nfs/dbraw/zinc/21/14/16/170211416.db2.gz HVNHHWGAEYYFRB-UHFFFAOYSA-N -1 0 276.223 2.692 20 5 CFBDRM CCCCOCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000045110027 175309275 /nfs/dbraw/zinc/30/92/75/175309275.db2.gz TWHBWTQGEHBHIH-UHFFFAOYSA-N -1 0 282.296 2.522 20 5 CFBDRM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187470126 287347263 /nfs/dbraw/zinc/34/72/63/287347263.db2.gz VISDIHLASRXEFJ-JOYOIKCWSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H]1CCC[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000154335412 289891730 /nfs/dbraw/zinc/89/17/30/289891730.db2.gz YCHRYRIUJIYLMK-MNOVXSKESA-N -1 0 292.335 2.951 20 5 CFBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(F)cc1 ZINC000195405994 270253853 /nfs/dbraw/zinc/25/38/53/270253853.db2.gz WGAGPCRSOIICJO-ZZXKWVIFSA-N -1 0 288.234 2.998 20 5 CFBDRM CC1(C)CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000232831010 270261385 /nfs/dbraw/zinc/26/13/85/270261385.db2.gz YJKXCHMXWSNXIV-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000078722063 288212128 /nfs/dbraw/zinc/21/21/28/288212128.db2.gz ATSRIKYPVKUXCC-CMPLNLGQSA-N -1 0 292.335 2.999 20 5 CFBDRM CC[C@H](Sc1cccc(OC)c1[N+](=O)[O-])C(=O)[O-] ZINC000097824251 280579532 /nfs/dbraw/zinc/57/95/32/280579532.db2.gz OPJFAYMFGMVYQS-QMMMGPOBSA-N -1 0 271.294 2.559 20 5 CFBDRM CC1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000112727678 280975158 /nfs/dbraw/zinc/97/51/58/280975158.db2.gz FVZGRLBCJOOAJC-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC000253076817 281079138 /nfs/dbraw/zinc/07/91/38/281079138.db2.gz ROEPKEPYISRZPG-VHSXEESVSA-N -1 0 278.308 2.775 20 5 CFBDRM CCCN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000269060285 281119509 /nfs/dbraw/zinc/11/95/09/281119509.db2.gz BBWFHZKAVRCNSK-UHFFFAOYSA-N -1 0 280.324 2.809 20 5 CFBDRM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000187421384 288370446 /nfs/dbraw/zinc/37/04/46/288370446.db2.gz GYNZDLKJIKHVBK-ONGXEEELSA-N -1 0 278.308 2.561 20 5 CFBDRM CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000158099757 289969767 /nfs/dbraw/zinc/96/97/67/289969767.db2.gz PSGFZOHIXSYTDI-SNVBAGLBSA-N -1 0 294.307 2.663 20 5 CFBDRM CC[C@@H](C)[C@](C)(O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563208390 290118300 /nfs/dbraw/zinc/11/83/00/290118300.db2.gz SIXWFPAOTQRVKF-YMTOWFKASA-N -1 0 296.323 2.502 20 5 CFBDRM CCC[C@@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000564213739 290197518 /nfs/dbraw/zinc/19/75/18/290197518.db2.gz JUPJHPHFCIBSCC-SNVBAGLBSA-N -1 0 293.323 2.705 20 5 CFBDRM CC[C@@H](O)[C@@H](CC)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565036867 290261655 /nfs/dbraw/zinc/26/16/55/290261655.db2.gz VUCKAVFCKKZALA-VXGBXAGGSA-N -1 0 296.323 2.563 20 5 CFBDRM CCCC[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000565233416 290287081 /nfs/dbraw/zinc/28/70/81/290287081.db2.gz LWEQHWZFXJZHDI-VIFPVBQESA-N -1 0 270.310 2.725 20 5 CFBDRM CC(C)N(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000566273522 290366224 /nfs/dbraw/zinc/36/62/24/290366224.db2.gz ZSLJWASTWVROQK-UHFFFAOYSA-N -1 0 298.726 2.967 20 5 CFBDRM Cc1cc(N2CCSC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566291829 290367854 /nfs/dbraw/zinc/36/78/54/290367854.db2.gz VJBGUAXOVIVIJL-VIFPVBQESA-N -1 0 296.348 2.543 20 5 CFBDRM C[C@@H]1CC(C)(C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567391263 290460487 /nfs/dbraw/zinc/46/04/87/290460487.db2.gz XUPPHGVOVGNPPZ-SECBINFHSA-N -1 0 278.308 2.918 20 5 CFBDRM C[C@H](C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000569224800 290591839 /nfs/dbraw/zinc/59/18/39/290591839.db2.gz FIAHUKSNRQPNCX-MWLCHTKSSA-N -1 0 294.307 2.663 20 5 CFBDRM C[C@H]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000097669726 299896537 /nfs/dbraw/zinc/89/65/37/299896537.db2.gz ULTJJEHHHOWMCQ-QWRGUYRKSA-N -1 0 292.335 2.857 20 5 CFBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC000269372619 300197758 /nfs/dbraw/zinc/19/77/58/300197758.db2.gz WXEKNOKMNIOMRD-SECBINFHSA-N -1 0 278.308 2.561 20 5 CFBDRM Cc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1[O-])CC2 ZINC000187689426 302058513 /nfs/dbraw/zinc/05/85/13/302058513.db2.gz KBSIPWBBWRHUDA-UHFFFAOYSA-N -1 0 298.298 2.812 20 5 CFBDRM Cc1nc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000436793091 302575910 /nfs/dbraw/zinc/57/59/10/302575910.db2.gz YZGWEFHZPLHZLL-UHFFFAOYSA-N -1 0 293.304 2.626 20 5 CFBDRM O=C(N[C@@H]1CC2CCC1CC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436903719 303829171 /nfs/dbraw/zinc/82/91/71/303829171.db2.gz NWGOSQNMZUVWCH-RTYFJBAXSA-N -1 0 290.319 2.609 20 5 CFBDRM CC1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000162429403 322364807 /nfs/dbraw/zinc/36/48/07/322364807.db2.gz QJALWOJIUFPFTA-UHFFFAOYSA-N -1 0 279.296 2.680 20 5 CFBDRM Cc1cc(N2CCC[C@](C)(F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569366898 322468455 /nfs/dbraw/zinc/46/84/55/322468455.db2.gz PHKVFYDKKQOQBB-AWEZNQCLSA-N -1 0 296.298 2.930 20 5 CFBDRM CC(C)[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000574209527 322684954 /nfs/dbraw/zinc/68/49/54/322684954.db2.gz AIVXLXBZMLVUHT-SNVBAGLBSA-N -1 0 293.323 2.560 20 5 CFBDRM CCCCOCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211893881 324110960 /nfs/dbraw/zinc/11/09/60/324110960.db2.gz XANZBIZGFBEOME-UHFFFAOYSA-N -1 0 282.296 2.522 20 5 CFBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H]1C ZINC000380617766 324411873 /nfs/dbraw/zinc/41/18/73/324411873.db2.gz DGNKPDHAEZFVJF-RKDXNWHRSA-N -1 0 264.281 2.528 20 5 CFBDRM C[C@H]1CCC[C@@H](N(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000387073490 324487008 /nfs/dbraw/zinc/48/70/08/324487008.db2.gz RCJZXSQERADYLK-VHSXEESVSA-N -1 0 293.323 2.703 20 5 CFBDRM C[C@@H]1CCC[C@@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000578134867 324819774 /nfs/dbraw/zinc/81/97/74/324819774.db2.gz IHNHTZQYAANNDS-KOLCDFICSA-N -1 0 278.308 2.822 20 5 CFBDRM CC(C)O[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000580332216 325027327 /nfs/dbraw/zinc/02/73/27/325027327.db2.gz KJYRUJICNGSNAH-PHIMTYICSA-N -1 0 294.307 2.661 20 5 CFBDRM CCOC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000580435739 325035373 /nfs/dbraw/zinc/03/53/73/325035373.db2.gz HYPLZKWEXIBSFI-UHFFFAOYSA-N -1 0 296.323 2.828 20 5 CFBDRM CC[C@@]1(C)CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000580836243 325068157 /nfs/dbraw/zinc/06/81/57/325068157.db2.gz XNHIYYTZNUKKQZ-AWEZNQCLSA-N -1 0 293.323 2.705 20 5 CFBDRM CC[C@H](Sc1c2c(ccc1[N+](=O)[O-])NCC2)C(=O)[O-] ZINC000582549005 325214252 /nfs/dbraw/zinc/21/42/52/325214252.db2.gz GVDLEHCPFXFIPE-JTQLQIEISA-N -1 0 282.321 2.518 20 5 CFBDRM CCCC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000217316503 329434569 /nfs/dbraw/zinc/43/45/69/329434569.db2.gz ZOEWFULBRZXOOG-UHFFFAOYSA-N -1 0 266.297 2.609 20 5 CFBDRM Cn1c2ccc(F)cc2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000075919656 334059445 /nfs/dbraw/zinc/05/94/45/334059445.db2.gz MQJSKCMSSJXFIF-UHFFFAOYSA-N -1 0 287.250 2.993 20 5 CFBDRM CN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000064088993 522647321 /nfs/dbraw/zinc/64/73/21/522647321.db2.gz 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ICSWCADRMPWJCA-UHFFFAOYSA-N -1 0 290.319 2.609 20 5 CFBDRM Cc1cc(NCC(C)(C)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000600942960 350634407 /nfs/dbraw/zinc/63/44/07/350634407.db2.gz MWMKGQGTWBBTSF-UHFFFAOYSA-N -1 0 270.260 2.761 20 5 CFBDRM CC(C)(C)CCn1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000601953884 350818114 /nfs/dbraw/zinc/81/81/14/350818114.db2.gz DWBABHYSEQFKRE-UHFFFAOYSA-N -1 0 289.335 2.967 20 5 CFBDRM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cn2)c(=O)c1CC ZINC000601932533 350806255 /nfs/dbraw/zinc/80/62/55/350806255.db2.gz KOENKTXLKLNYPE-SNVBAGLBSA-N -1 0 276.296 2.519 20 5 CFBDRM CCCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])C(C)C ZINC000565210429 290281828 /nfs/dbraw/zinc/28/18/28/290281828.db2.gz QQRMDOIHOSARNX-UHFFFAOYSA-N -1 0 266.297 2.561 20 5 CFBDRM O=C(Nc1ncc(Cl)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612549122 351834309 /nfs/dbraw/zinc/83/43/09/351834309.db2.gz MOPBQOQHLBKJFS-UHFFFAOYSA-N -1 0 299.695 2.663 20 5 CFBDRM CC(C)C(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000612556053 351835095 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Cc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000177863806 189074917 /nfs/dbraw/zinc/07/49/17/189074917.db2.gz IAXKRDIXCPSEMK-ZETCQYMHSA-N -1 0 276.214 2.643 20 5 CFBDRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000178476332 189119485 /nfs/dbraw/zinc/11/94/85/189119485.db2.gz WPKOBRRPMHTOBV-PWSUYJOCSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179416765 189193025 /nfs/dbraw/zinc/19/30/25/189193025.db2.gz YEMHARWKAHMMRF-MFKMUULPSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179416803 189193205 /nfs/dbraw/zinc/19/32/05/189193205.db2.gz YEMHARWKAHMMRF-GXFFZTMASA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H](N=c1[n-]nc(C2CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000341002807 296031349 /nfs/dbraw/zinc/03/13/49/296031349.db2.gz POKUBPAVCKJGQD-MRVPVSSYSA-N -1 0 290.348 2.919 20 5 CFBDRM CCC[C@@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183897484 189370377 /nfs/dbraw/zinc/37/03/77/189370377.db2.gz OXIJEASFPAVWMX-MRVPVSSYSA-N -1 0 252.270 2.675 20 5 CFBDRM CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000184531154 189388481 /nfs/dbraw/zinc/38/84/81/189388481.db2.gz JWTMPGPWDNHCEX-UHFFFAOYSA-N -1 0 280.324 2.807 20 5 CFBDRM O=C([O-])[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000020353673 304110490 /nfs/dbraw/zinc/11/04/90/304110490.db2.gz MTHASKIENCNZAC-MRVPVSSYSA-N -1 0 284.699 2.549 20 5 CFBDRM O=C(NC/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436862831 240511791 /nfs/dbraw/zinc/51/17/91/240511791.db2.gz PYYVEXCCYKJUKW-VMPITWQZSA-N -1 0 298.298 2.744 20 5 CFBDRM CC(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000444518609 241145005 /nfs/dbraw/zinc/14/50/05/241145005.db2.gz IZJOCPMLCFZYHB-LLVKDONJSA-N -1 0 292.335 2.809 20 5 CFBDRM CC(C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000444525185 241145669 /nfs/dbraw/zinc/14/56/69/241145669.db2.gz RLOVDOXKHCQXTQ-NSHDSACASA-N -1 0 292.335 2.809 20 5 CFBDRM Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000018051073 372140285 /nfs/dbraw/zinc/14/02/85/372140285.db2.gz CBKNGHYKCSFGDD-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cccs1 ZINC000047835188 373120420 /nfs/dbraw/zinc/12/04/20/373120420.db2.gz VHAMZCAIQNIWJK-ONEGZZNKSA-N -1 0 276.273 2.920 20 5 CFBDRM C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000054334754 373520919 /nfs/dbraw/zinc/52/09/19/373520919.db2.gz XJCLMVZTWHEVSE-ZCFIWIBFSA-N -1 0 292.213 2.746 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000078247629 374566989 /nfs/dbraw/zinc/56/69/89/374566989.db2.gz LTZNXTMPNNZXQU-RYUDHWBXSA-N -1 0 290.319 2.563 20 5 CFBDRM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000119408370 297351051 /nfs/dbraw/zinc/35/10/51/297351051.db2.gz HQULAICAOPQWFL-GHMZBOCLSA-N -1 0 292.335 2.809 20 5 CFBDRM CC(C)(CCC(=O)[O-])Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148367463 378258249 /nfs/dbraw/zinc/25/82/49/378258249.db2.gz OXRZQSUQBZNMHB-UHFFFAOYSA-N -1 0 287.703 2.699 20 5 CFBDRM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160016363 378743018 /nfs/dbraw/zinc/74/30/18/378743018.db2.gz JIGHQSQTNYQYHB-JQWIXIFHSA-N -1 0 292.335 2.999 20 5 CFBDRM Cc1cccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164127768 379005813 /nfs/dbraw/zinc/00/58/13/379005813.db2.gz ZSRATYMAQSFKKT-UHFFFAOYSA-N -1 0 286.287 2.539 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000166173586 379051712 /nfs/dbraw/zinc/05/17/12/379051712.db2.gz LHIFQFWJXHJEGR-UHFFFAOYSA-N -1 0 276.292 2.675 20 5 CFBDRM C[C@@H]1CC=C(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000456004639 296296266 /nfs/dbraw/zinc/29/62/66/296296266.db2.gz PHDYOPRFRROJRO-SECBINFHSA-N -1 0 276.292 2.985 20 5 CFBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC2(CCC2)CC1 ZINC000367815674 380841330 /nfs/dbraw/zinc/84/13/30/380841330.db2.gz QZDXELBHZFXCQV-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM O=[N+]([O-])c1ccc(-c2nc3cnccc3s2)cc1[O-] ZINC000353884763 380928318 /nfs/dbraw/zinc/92/83/18/380928318.db2.gz DFZIVAGDHXYFJV-UHFFFAOYSA-N -1 0 273.273 2.972 20 5 CFBDRM C[C@H](CC(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000402520642 380886566 /nfs/dbraw/zinc/88/65/66/380886566.db2.gz OCPRAQOWOHZRDF-ZCFIWIBFSA-N -1 0 292.213 2.827 20 5 CFBDRM CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)(F)F ZINC000405999206 380912392 /nfs/dbraw/zinc/91/23/92/380912392.db2.gz UQRSBQLFBKNNFR-UHFFFAOYSA-N -1 0 288.250 2.920 20 5 CFBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000408112503 380914160 /nfs/dbraw/zinc/91/41/60/380914160.db2.gz NPIMLJVHKZBPIB-QWRGUYRKSA-N -1 0 290.319 2.563 20 5 CFBDRM CS[C@H](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000358673632 381004657 /nfs/dbraw/zinc/00/46/57/381004657.db2.gz ADIDVLASWIOAQE-MRVPVSSYSA-N -1 0 284.337 2.771 20 5 CFBDRM CCC(C)(CC)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183615015 381295373 /nfs/dbraw/zinc/29/53/73/381295373.db2.gz OWOXGDYYMQFCFR-UHFFFAOYSA-N -1 0 266.297 2.609 20 5 CFBDRM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC(C)(C)C1 ZINC000412813044 381459197 /nfs/dbraw/zinc/45/91/97/381459197.db2.gz OBRZEUASYVPSLH-UHFFFAOYSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C(NCCC1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184966191 381500526 /nfs/dbraw/zinc/50/05/26/381500526.db2.gz BDAMCOHAFSMVDE-UHFFFAOYSA-N -1 0 278.308 2.611 20 5 CFBDRM O=[N+]([O-])c1c[n-]c(=NC[C@@H]2CCC[C@@H]2C2CC2)s1 ZINC000413481630 381544111 /nfs/dbraw/zinc/54/41/11/381544111.db2.gz NVYULZMSYPYCPZ-VHSXEESVSA-N -1 0 267.354 2.711 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCC(F)(F)C1 ZINC000360021971 381733333 /nfs/dbraw/zinc/73/33/33/381733333.db2.gz GQRXIISWAWRLSI-ZETCQYMHSA-N -1 0 286.234 2.674 20 5 CFBDRM CCN(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000291306807 381742623 /nfs/dbraw/zinc/74/26/23/381742623.db2.gz XEQVNZADPJFYST-UHFFFAOYSA-N -1 0 280.324 2.809 20 5 CFBDRM O=C(Nc1ccsc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343453923 381721513 /nfs/dbraw/zinc/72/15/13/381721513.db2.gz QYXKNKXTGRPBOW-UHFFFAOYSA-N -1 0 264.262 2.614 20 5 CFBDRM CC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000186047901 381811735 /nfs/dbraw/zinc/81/17/35/381811735.db2.gz ZUFSWNOXGINPRK-UHFFFAOYSA-N -1 0 270.672 2.692 20 5 CFBDRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000300241327 382058510 /nfs/dbraw/zinc/05/85/10/382058510.db2.gz HJUBIBAFKBGGLF-VWYCJHECSA-N -1 0 292.335 2.807 20 5 CFBDRM CC(C)CCC[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186848564 382029916 /nfs/dbraw/zinc/02/99/16/382029916.db2.gz YBXKUACVJRDXDB-JTQLQIEISA-N -1 0 295.339 2.640 20 5 CFBDRM CC(C)(C)c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000362716954 382212118 /nfs/dbraw/zinc/21/21/18/382212118.db2.gz OVQJWMHXWLFTCO-UHFFFAOYSA-N -1 0 263.253 2.648 20 5 CFBDRM CC[C@@H](C)CO[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000293736811 382258325 /nfs/dbraw/zinc/25/83/25/382258325.db2.gz NVMHAVMCEBFIMW-LLVKDONJSA-N -1 0 294.351 2.966 20 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/nfs/dbraw/zinc/61/17/12/382611712.db2.gz KBOJIUQPAOWURQ-UHFFFAOYSA-N -1 0 267.285 2.536 20 5 CFBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3)no2)cc1[O-] ZINC000189931283 382645813 /nfs/dbraw/zinc/64/58/13/382645813.db2.gz QQRVXKZJPJTFBE-UHFFFAOYSA-N -1 0 297.270 2.941 20 5 CFBDRM Cc1cc(N2CCS[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577066709 382846467 /nfs/dbraw/zinc/84/64/67/382846467.db2.gz ZWIIZWYBZBVCSW-SECBINFHSA-N -1 0 296.348 2.543 20 5 CFBDRM Cc1cc(N2CCC(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577117514 382848497 /nfs/dbraw/zinc/84/84/97/382848497.db2.gz XNTJXVAWOJVTAW-UHFFFAOYSA-N -1 0 278.308 2.838 20 5 CFBDRM Cc1cc(N2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576589234 382828314 /nfs/dbraw/zinc/82/83/14/382828314.db2.gz ZTRYPYSAPLUUER-UHFFFAOYSA-N -1 0 264.281 2.592 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1cccnc1)C1CC1 ZINC000339082983 383142255 /nfs/dbraw/zinc/14/22/55/383142255.db2.gz ZWYDMANWWYLEPE-MRXNPFEDSA-N -1 0 299.330 2.936 20 5 CFBDRM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000308718907 296346181 /nfs/dbraw/zinc/34/61/81/296346181.db2.gz AJZBCADIXHHPDD-MEBBXXQBSA-N -1 0 292.335 2.999 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC(C2CC2)C2CC2)n1 ZINC000568753217 383433576 /nfs/dbraw/zinc/43/35/76/383433576.db2.gz ZFNXLFBTHGOMNL-UHFFFAOYSA-N -1 0 291.307 2.597 20 5 CFBDRM Cc1cc(N2C[C@H](C)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568752500 383433904 /nfs/dbraw/zinc/43/39/04/383433904.db2.gz QFWXHKYZPIVLAE-SCZZXKLOSA-N -1 0 278.308 2.836 20 5 CFBDRM C[C@@H](C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000569224798 383478053 /nfs/dbraw/zinc/47/80/53/383478053.db2.gz FIAHUKSNRQPNCX-GXSJLCMTSA-N -1 0 294.307 2.663 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccnc1C1CC1 ZINC000489947393 383644685 /nfs/dbraw/zinc/64/46/85/383644685.db2.gz PMIFSTJKQHHJAW-UHFFFAOYSA-N -1 0 299.286 2.825 20 5 CFBDRM C[C@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1(C)C ZINC000571049058 383662165 /nfs/dbraw/zinc/66/21/65/383662165.db2.gz CYBUMVXJQXAGAC-VIFPVBQESA-N -1 0 293.323 2.560 20 5 CFBDRM CC(C)c1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)no1 ZINC000436728486 383882082 /nfs/dbraw/zinc/88/20/82/383882082.db2.gz ABVOCJHQGJPSFY-UHFFFAOYSA-N -1 0 291.263 2.664 20 5 CFBDRM O=C(NC1(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436967227 383897988 /nfs/dbraw/zinc/89/79/88/383897988.db2.gz PUPHSVIMQYXXKO-UHFFFAOYSA-N -1 0 298.298 2.720 20 5 CFBDRM C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436863212 383898559 /nfs/dbraw/zinc/89/85/59/383898559.db2.gz SWXZBBSSTCXMJG-JOYOIKCWSA-N -1 0 278.308 2.609 20 5 CFBDRM CC(C)N(CC1CCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000277889358 384434577 /nfs/dbraw/zinc/43/45/77/384434577.db2.gz FOXUGUGHCBJUAE-UHFFFAOYSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@H](CCC1CC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000347970442 220288391 /nfs/dbraw/zinc/28/83/91/220288391.db2.gz SAUQVVJUGQRAOD-SECBINFHSA-N -1 0 278.308 2.609 20 5 CFBDRM 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CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H](C)c2ccccn2)[n-]1 ZINC001231258751 777178785 /nfs/dbraw/zinc/17/87/85/777178785.db2.gz CGKPOQADEYJNQI-SECBINFHSA-N -1 0 275.264 2.539 20 5 CFBDRM CC[C@@H](C)[C@@H](C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231262424 777180357 /nfs/dbraw/zinc/18/03/57/777180357.db2.gz GGVVQNCMLHCAMN-VXNVDRBHSA-N -1 0 254.286 2.817 20 5 CFBDRM Cc1cc(N[C@H]2COC(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000594735518 349483992 /nfs/dbraw/zinc/48/39/92/349483992.db2.gz IKLQEQRMNRTRJZ-SNVBAGLBSA-N -1 0 294.307 2.581 20 5 CFBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000595978344 349773857 /nfs/dbraw/zinc/77/38/57/349773857.db2.gz VOIJQMWWEZHAMX-SNVBAGLBSA-N -1 0 282.271 2.647 20 5 CFBDRM Cn1c2cc(F)ccc2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000178976083 232392488 /nfs/dbraw/zinc/39/24/88/232392488.db2.gz WDQAUAKUGAIWJG-UHFFFAOYSA-N -1 0 287.250 2.993 20 5 CFBDRM Cc1ccc(NC[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000087507749 347496184 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CC(C)(C)[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000160215603 348017147 /nfs/dbraw/zinc/01/71/47/348017147.db2.gz MRRFFRWWPXUQTK-SNVBAGLBSA-N -1 0 293.323 2.560 20 5 CFBDRM CC[C@H](C)[C@@H](C)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162382855 348030025 /nfs/dbraw/zinc/03/00/25/348030025.db2.gz XWOUUNKSBULQGH-JGVFFNPUSA-N -1 0 267.285 2.535 20 5 CFBDRM CC1(C)CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162445321 348030030 /nfs/dbraw/zinc/03/00/30/348030030.db2.gz MZULNEPFYWMAFZ-UHFFFAOYSA-N -1 0 293.323 2.705 20 5 CFBDRM COc1ccc([N+](=O)[O-])c(NCC2(C(=O)[O-])CCCC2)c1 ZINC000165363956 348039306 /nfs/dbraw/zinc/03/93/06/348039306.db2.gz WHWPKOUSXPPERN-UHFFFAOYSA-N -1 0 294.307 2.660 20 5 CFBDRM CC[C@H](C)N(CC)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000233983112 348218240 /nfs/dbraw/zinc/21/82/40/348218240.db2.gz DWHQDSGTOZAIJI-VIFPVBQESA-N -1 0 266.297 2.561 20 5 CFBDRM Cc1cccc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000235926001 348229856 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C[C@H](C1CC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592748956 349164165 /nfs/dbraw/zinc/16/41/65/349164165.db2.gz WERJFDLSGCXMGR-SSDOTTSWSA-N -1 0 298.726 2.824 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CC2(CCC2)C1 ZINC000592779739 349166004 /nfs/dbraw/zinc/16/60/04/349166004.db2.gz HTNATSVXOZLBOE-UHFFFAOYSA-N -1 0 276.292 2.819 20 5 CFBDRM O=C([O-])CCCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593327601 349248257 /nfs/dbraw/zinc/24/82/57/349248257.db2.gz QPKZGCBIFJFLFM-UHFFFAOYSA-N -1 0 289.291 2.810 20 5 CFBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000597467575 350100614 /nfs/dbraw/zinc/10/06/14/350100614.db2.gz PBEPMJSRDVLIJR-JIGDXULJSA-N -1 0 296.710 2.938 20 5 CFBDRM C[C@@H]1CCC(C)(C)N1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000597752759 350131094 /nfs/dbraw/zinc/13/10/94/350131094.db2.gz GZXSOYYFYIJRBH-SECBINFHSA-N -1 0 278.308 2.704 20 5 CFBDRM CC[C@@H](C)N(CC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597859385 350144614 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298.298 2.892 20 5 CFBDRM Cc1cc(N[C@H](CC(C)C)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000261689285 301365191 /nfs/dbraw/zinc/36/51/91/301365191.db2.gz HNXADYKCPUTJMH-LLVKDONJSA-N -1 0 284.287 2.954 20 5 CFBDRM CC(C)[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000160227267 322334492 /nfs/dbraw/zinc/33/44/92/322334492.db2.gz VVVPNYSHQLUPLH-NSHDSACASA-N -1 0 278.308 2.775 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(C)(C)CC2)n1 ZINC000570805722 322552971 /nfs/dbraw/zinc/55/29/71/322552971.db2.gz YONSLJOAMUDKFN-UHFFFAOYSA-N -1 0 293.323 2.623 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2C)n1 ZINC000571526595 322586641 /nfs/dbraw/zinc/58/66/41/322586641.db2.gz WEWYBCMEOQKNGI-OIBJUYFYSA-N -1 0 279.296 2.597 20 5 CFBDRM COC1CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000575185213 322721227 /nfs/dbraw/zinc/72/12/27/322721227.db2.gz QWPFSFLTAKYHPD-UHFFFAOYSA-N -1 0 294.307 2.663 20 5 CFBDRM CO[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)C ZINC000576994700 324683494 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C[C@@H](CC(C)(C)C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000384729182 336130052 /nfs/dbraw/zinc/13/00/52/336130052.db2.gz OZESBMKXJJWERA-QMMMGPOBSA-N -1 0 281.312 2.925 20 5 CFBDRM CCOc1cccc(NCCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000314204725 521399106 /nfs/dbraw/zinc/39/91/06/521399106.db2.gz VFPKFUQEHWEOFQ-UHFFFAOYSA-N -1 0 296.323 2.906 20 5 CFBDRM CC[C@H](C)[C@H](Nc1cc(C)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000263443838 521982538 /nfs/dbraw/zinc/98/25/38/521982538.db2.gz XXJVOTZCGHVVSV-MADCSZMMSA-N -1 0 284.287 2.954 20 5 CFBDRM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217315863 522017550 /nfs/dbraw/zinc/01/75/50/522017550.db2.gz AUFJGPPZTCHCEB-NXEZZACHSA-N -1 0 280.324 2.855 20 5 CFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(CC1CC1)CC1CC1 ZINC000160417305 534715608 /nfs/dbraw/zinc/71/56/08/534715608.db2.gz HTSDYTHPBGISQD-UHFFFAOYSA-N -1 0 290.319 2.563 20 5 CFBDRM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166083458 523590268 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Cc1cc(=O)[n-]c(O[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001226157764 775721029 /nfs/dbraw/zinc/72/10/29/775721029.db2.gz FFFBHFJQWKBCIC-SECBINFHSA-N -1 0 275.264 2.539 20 5 CFBDRM CCC[C@@H](Oc1nc(=O)[n-]cc1[N+](=O)[O-])[C@H](C)CC ZINC001226332547 775782144 /nfs/dbraw/zinc/78/21/44/775782144.db2.gz VVNWEMVHQPUMNW-PSASIEDQSA-N -1 0 269.301 2.684 20 5 CFBDRM Cc1ccc([C@H](C)Oc2[n-]c(=O)ncc2[N+](=O)[O-])c(C)c1 ZINC001226332504 775782238 /nfs/dbraw/zinc/78/22/38/775782238.db2.gz VNDUBXWSTZMFPS-JTQLQIEISA-N -1 0 289.291 2.847 20 5 CFBDRM O=c1nc(OC2CCCCCCC2)c([N+](=O)[O-])c[n-]1 ZINC001226337540 775783715 /nfs/dbraw/zinc/78/37/15/775783715.db2.gz YMYPDCIHQKZEFH-UHFFFAOYSA-N -1 0 267.285 2.582 20 5 CFBDRM CSc1nc(O[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625036 776247492 /nfs/dbraw/zinc/24/74/92/776247492.db2.gz MXFPWIGIBNOPOX-HTQZYQBOSA-N -1 0 299.352 2.770 20 5 CFBDRM CSc1nc(O[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625038 776248450 /nfs/dbraw/zinc/24/84/50/776248450.db2.gz MXFPWIGIBNOPOX-SFYZADRCSA-N -1 0 299.352 2.770 20 5 CFBDRM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1=CC=C[CH]1 ZINC001227745950 776276820 /nfs/dbraw/zinc/27/68/20/776276820.db2.gz PFZXJKSUJCVMQA-SECBINFHSA-N -1 0 270.268 2.939 20 5 CFBDRM C[C@H](Oc1[n-]ncc(=O)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001228387966 776478980 /nfs/dbraw/zinc/47/89/80/776478980.db2.gz SJLAFMOYTRYSDH-ZETCQYMHSA-N -1 0 295.682 2.884 20 5 CFBDRM Cc1nc(O[C@@H]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377529 776794827 /nfs/dbraw/zinc/79/48/27/776794827.db2.gz BUJMFVRMCNNJCE-OYNCUSHFSA-N -1 0 281.312 2.602 20 5 CFBDRM Cc1nc(OC2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378602 776795121 /nfs/dbraw/zinc/79/51/21/776795121.db2.gz HMKXXARMZWPUCC-YUMQZZPRSA-N -1 0 281.312 2.602 20 5 CFBDRM C[C@H]1CCC[C@H]1Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001231219966 777172786 /nfs/dbraw/zinc/17/27/86/777172786.db2.gz CZCDGJSKXNQOMC-WRWORJQWSA-N -1 0 282.252 2.776 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C)c2ccccn2)[n-]1 ZINC001231258752 777178327 /nfs/dbraw/zinc/17/83/27/777178327.db2.gz CGKPOQADEYJNQI-VIFPVBQESA-N -1 0 275.264 2.539 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C)COC(C)(C)C)[n-]1 ZINC001231259574 777178457 /nfs/dbraw/zinc/17/84/57/777178457.db2.gz OHMWJOXKSCLPDL-VIFPVBQESA-N -1 0 284.312 2.586 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C)c2ccncc2)[n-]1 ZINC001231259649 777179213 /nfs/dbraw/zinc/17/92/13/777179213.db2.gz OWNIOQKGKPDBLX-VIFPVBQESA-N -1 0 275.264 2.539 20 5 CFBDRM O=C([O-])[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C1CCC1 ZINC000697971594 778602285 /nfs/dbraw/zinc/60/22/85/778602285.db2.gz YGFURCSZOKHIKL-VIFPVBQESA-N -1 0 282.271 2.647 20 5 CFBDRM CSCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000130888905 779609576 /nfs/dbraw/zinc/60/95/76/779609576.db2.gz NDPUJAYIOMBSKN-QMMMGPOBSA-N -1 0 284.337 2.847 20 5 CFBDRM Cc1ccc(-c2cnn([C@@H](C)CC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000594874435 349491583 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CCc1cnccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166129452 529671953 /nfs/dbraw/zinc/67/19/53/529671953.db2.gz NHSUWWNSIATXSM-UHFFFAOYSA-N -1 0 287.275 2.510 20 5 CFBDRM O=C(NC/C=C/c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160336875 232248477 /nfs/dbraw/zinc/24/84/77/232248477.db2.gz RRDRKQMBWNXAFZ-QPJJXVBHSA-N -1 0 298.298 2.744 20 5 CFBDRM Cc1cccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179474368 232397755 /nfs/dbraw/zinc/39/77/55/232397755.db2.gz RRSBVAGYPKUIPR-UHFFFAOYSA-N -1 0 286.287 2.885 20 5 CFBDRM CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC000233029676 348215970 /nfs/dbraw/zinc/21/59/70/348215970.db2.gz YYOJTLLACGYGFU-UHFFFAOYSA-N -1 0 266.297 2.561 20 5 CFBDRM CC(C)(CCNc1c(Cl)cncc1[N+](=O)[O-])C(=O)[O-] ZINC000311508697 348413137 /nfs/dbraw/zinc/41/31/37/348413137.db2.gz BPGIOWZNOUVOQJ-UHFFFAOYSA-N -1 0 287.703 2.556 20 5 CFBDRM O=C([O-])CC1(CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000591531430 349029028 /nfs/dbraw/zinc/02/90/28/349029028.db2.gz UBNFNEONRWYIKU-UHFFFAOYSA-N -1 0 292.291 2.568 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2F)c1 ZINC000592979314 349179295 /nfs/dbraw/zinc/17/92/95/349179295.db2.gz GKIIPPYGDYNXLM-DTWKUNHWSA-N -1 0 268.244 2.596 20 5 CFBDRM Cc1cc(N2CCC=C(F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592978365 349179675 /nfs/dbraw/zinc/17/96/75/349179675.db2.gz PVTCUJAUIGECSY-UHFFFAOYSA-N -1 0 280.255 2.665 20 5 CFBDRM CN(CCC(C)(C)C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000592836654 349170081 /nfs/dbraw/zinc/17/00/81/349170081.db2.gz WCBKTGIMGSILSZ-UHFFFAOYSA-N -1 0 280.324 2.809 20 5 CFBDRM COCCCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593192842 349226262 /nfs/dbraw/zinc/22/62/62/349226262.db2.gz HQFGPSHMEDHCJC-UHFFFAOYSA-N -1 0 257.311 2.570 20 5 CFBDRM O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000593290092 349242231 /nfs/dbraw/zinc/24/22/31/349242231.db2.gz CWOARSZUCFSDEM-JTQLQIEISA-N -1 0 296.298 2.563 20 5 CFBDRM C[C@@H](COCC1CC1)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000593755448 349320962 /nfs/dbraw/zinc/32/09/62/349320962.db2.gz JFVLAQBMXCULKW-VIFPVBQESA-N -1 0 294.307 2.520 20 5 CFBDRM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000593785307 349326398 /nfs/dbraw/zinc/32/63/98/349326398.db2.gz CTLJSWRSJCGEHV-GXFFZTMASA-N -1 0 292.335 2.855 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000597490921 350104154 /nfs/dbraw/zinc/10/41/54/350104154.db2.gz AMYFELCMLXHHMF-IEBDPFPHSA-N -1 0 276.292 2.675 20 5 CFBDRM C[C@H]1CCC(C)(C)N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000597754110 350132003 /nfs/dbraw/zinc/13/20/03/350132003.db2.gz YBGSUWNTBDTSIH-VIFPVBQESA-N -1 0 278.308 2.704 20 5 CFBDRM C[C@H]1CCC(C)(C)N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597753855 350132043 /nfs/dbraw/zinc/13/20/43/350132043.db2.gz WNRWEXABEQTDJB-VIFPVBQESA-N -1 0 278.308 2.704 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](CCF)C1 ZINC000598219292 350218163 /nfs/dbraw/zinc/21/81/63/350218163.db2.gz GIIBFIAMLSWLHJ-JTQLQIEISA-N -1 0 296.298 2.512 20 5 CFBDRM CC(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000598380891 350252955 /nfs/dbraw/zinc/25/29/55/350252955.db2.gz JWVDNIZOPRXWSP-UHFFFAOYSA-N -1 0 290.319 2.609 20 5 CFBDRM C[C@H](CC1CCC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000601868147 350794697 /nfs/dbraw/zinc/79/46/97/350794697.db2.gz FYZJEGUVKVXDOL-SECBINFHSA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@H](CC1CCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000601870986 350795179 /nfs/dbraw/zinc/79/51/79/350795179.db2.gz QUUDAFACLXNUOK-SECBINFHSA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@@H](CC1CCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000601871799 350796003 /nfs/dbraw/zinc/79/60/03/350796003.db2.gz VCRLKBHEXZJGNQ-VIFPVBQESA-N -1 0 278.308 2.609 20 5 CFBDRM CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1C ZINC000601942668 350811821 /nfs/dbraw/zinc/81/18/21/350811821.db2.gz NIMGYGSNPPTUPF-SECBINFHSA-N -1 0 261.281 2.652 20 5 CFBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1CC1CCCC1 ZINC000603921543 351191944 /nfs/dbraw/zinc/19/19/44/351191944.db2.gz UZADFZMNPZFADN-UHFFFAOYSA-N -1 0 287.319 2.721 20 5 CFBDRM Cc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1[N+](=O)[O-] ZINC000611080334 351638343 /nfs/dbraw/zinc/63/83/43/351638343.db2.gz SRXYPBOUXKLEPK-PLNGDYQASA-N -1 0 285.259 2.562 20 5 CFBDRM CN(Cc1ccsc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611252988 351658029 /nfs/dbraw/zinc/65/80/29/351658029.db2.gz HAKYTEYZQLWFPD-UHFFFAOYSA-N -1 0 278.333 2.994 20 5 CFBDRM CC(F)(F)CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000611294664 351665440 /nfs/dbraw/zinc/66/54/40/351665440.db2.gz QCCQCBAOBHTYAD-UHFFFAOYSA-N -1 0 274.223 2.674 20 5 CFBDRM CCOC(=O)c1cc[n-]c(=NOC[C@H](C)CC)c1[N+](=O)[O-] ZINC000291891227 198097843 /nfs/dbraw/zinc/09/78/43/198097843.db2.gz PDLKRLJVVIACPQ-SECBINFHSA-N -1 0 297.311 2.556 20 5 CFBDRM CCOC(=O)c1cc[n-]c(=NOC[C@@H](C)CC)c1[N+](=O)[O-] ZINC000291891230 198098161 /nfs/dbraw/zinc/09/81/61/198098161.db2.gz PDLKRLJVVIACPQ-VIFPVBQESA-N -1 0 297.311 2.556 20 5 CFBDRM C[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000614271665 352073136 /nfs/dbraw/zinc/07/31/36/352073136.db2.gz DAGDJRZOKJLEJI-MRVPVSSYSA-N -1 0 276.248 2.636 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(CC1CC1)C1CCC1 ZINC000619458750 353026334 /nfs/dbraw/zinc/02/63/34/353026334.db2.gz KWXKNYXNSYDPED-UHFFFAOYSA-N -1 0 290.319 2.705 20 5 CFBDRM CCc1onc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000154094823 188122713 /nfs/dbraw/zinc/12/27/13/188122713.db2.gz PGAYWSRVOAEDLI-UHFFFAOYSA-N -1 0 281.293 2.767 20 5 CFBDRM CC(C)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000154839827 188164719 /nfs/dbraw/zinc/16/47/19/188164719.db2.gz AAIJBUAUTJRZIK-UHFFFAOYSA-N -1 0 292.335 2.809 20 5 CFBDRM CC[C@@H](C)CN(CC)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000156447679 188262272 /nfs/dbraw/zinc/26/22/72/188262272.db2.gz HNKXZXAYMQUXDZ-SNVBAGLBSA-N -1 0 280.324 2.809 20 5 CFBDRM CSCC[C@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000157331664 188310351 /nfs/dbraw/zinc/31/03/51/188310351.db2.gz RLTVMVPNGQPPCR-VIFPVBQESA-N -1 0 298.364 2.514 20 5 CFBDRM CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000566467811 290389003 /nfs/dbraw/zinc/38/90/03/290389003.db2.gz ZNEUKWXKKZQDLS-UHFFFAOYSA-N -1 0 266.297 2.561 20 5 CFBDRM O=C(NC1CCC2(CC2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436897830 303737826 /nfs/dbraw/zinc/73/78/26/303737826.db2.gz CRMCFXDDOXGXSN-UHFFFAOYSA-N -1 0 290.319 2.753 20 5 CFBDRM CC(C)[C@@H]1C[C@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000567985796 290511710 /nfs/dbraw/zinc/51/17/10/290511710.db2.gz VNDLXFFQAOXWTI-RYUDHWBXSA-N -1 0 292.335 2.926 20 5 CFBDRM O=C([O-])C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1F ZINC000038027252 304083013 /nfs/dbraw/zinc/08/30/13/304083013.db2.gz NZPPBGMTXMWIHX-SECBINFHSA-N -1 0 282.271 2.568 20 5 CFBDRM CC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179413678 189192361 /nfs/dbraw/zinc/19/23/61/189192361.db2.gz MLEUQPOIIBXIHO-UHFFFAOYSA-N -1 0 292.335 2.951 20 5 CFBDRM CCC(CC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183909331 189370625 /nfs/dbraw/zinc/37/06/25/189370625.db2.gz DZZSOXORSFXIAP-UHFFFAOYSA-N -1 0 252.270 2.675 20 5 CFBDRM O=C([O-])c1cc(NC2CCCC2)ccc1[N+](=O)[O-] ZINC000013277052 372021037 /nfs/dbraw/zinc/02/10/37/372021037.db2.gz WENJVBIGOHBLIK-UHFFFAOYSA-N -1 0 250.254 2.648 20 5 CFBDRM O=C([O-])CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000019412044 372161879 /nfs/dbraw/zinc/16/18/79/372161879.db2.gz TWEZJZFVGOOACM-UHFFFAOYSA-N -1 0 258.661 2.525 20 5 CFBDRM Cc1ccc(N[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000043441801 372990958 /nfs/dbraw/zinc/99/09/58/372990958.db2.gz BPLCNWCCMUKSJZ-LLVKDONJSA-N -1 0 266.297 2.814 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2C)n1 ZINC000571526594 383702628 /nfs/dbraw/zinc/70/26/28/383702628.db2.gz WEWYBCMEOQKNGI-GMSGAONNSA-N -1 0 279.296 2.597 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1F ZINC000089531299 374920040 /nfs/dbraw/zinc/92/00/40/374920040.db2.gz MBHMRLAXHDXDQJ-UHFFFAOYSA-N -1 0 294.213 2.831 20 5 CFBDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)n1 ZINC000089540903 374920282 /nfs/dbraw/zinc/92/02/82/374920282.db2.gz ZSWIJSCFTWZAPU-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM CSCC[C@@H](C)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000118961112 376328518 /nfs/dbraw/zinc/32/85/18/376328518.db2.gz SRJXMKKEIUKNHA-SECBINFHSA-N -1 0 298.364 2.514 20 5 CFBDRM O=C(CC1CCCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000120869019 376710207 /nfs/dbraw/zinc/71/02/07/376710207.db2.gz WEQJODBPFFQTCI-UHFFFAOYSA-N -1 0 264.281 2.819 20 5 CFBDRM CCc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120884571 376715536 /nfs/dbraw/zinc/71/55/36/376715536.db2.gz HVIDJPAVTSUPCC-UHFFFAOYSA-N -1 0 275.264 2.706 20 5 CFBDRM CC(C)(C)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000330445691 378557425 /nfs/dbraw/zinc/55/74/25/378557425.db2.gz HEZSIEQIVYNGAS-AWEZNQCLSA-N -1 0 294.351 2.547 20 5 CFBDRM CCC[C@@H](CC)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160150091 378752201 /nfs/dbraw/zinc/75/22/01/378752201.db2.gz IEQXKJMVDVHLKE-SNVBAGLBSA-N -1 0 266.297 2.609 20 5 CFBDRM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000412765282 296284180 /nfs/dbraw/zinc/28/41/80/296284180.db2.gz AMPPEBIXJHJDEF-SECBINFHSA-N -1 0 278.308 2.561 20 5 CFBDRM CC(C)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180784075 380699540 /nfs/dbraw/zinc/69/95/40/380699540.db2.gz KGCXZWLZHGTDMB-UHFFFAOYSA-N -1 0 272.688 2.938 20 5 CFBDRM CSCC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182032404 380969445 /nfs/dbraw/zinc/96/94/45/380969445.db2.gz IQNKMOHKQXXMGQ-VIFPVBQESA-N -1 0 298.364 2.514 20 5 CFBDRM C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC000182045676 380973131 /nfs/dbraw/zinc/97/31/31/380973131.db2.gz OCZCCJNHHOAVIL-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@]1(C)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182061253 380978227 /nfs/dbraw/zinc/97/82/27/380978227.db2.gz DJLPUBLRJYRAHS-OAHLLOKOSA-N -1 0 292.335 2.953 20 5 CFBDRM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000182704614 381142780 /nfs/dbraw/zinc/14/27/80/381142780.db2.gz XPZANOQKUPWUTL-UWVGGRQHSA-N -1 0 292.335 2.855 20 5 CFBDRM O=C(NCC1=CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000295902515 381145806 /nfs/dbraw/zinc/14/58/06/381145806.db2.gz XRKISFYSJMAZRV-UHFFFAOYSA-N -1 0 276.292 2.531 20 5 CFBDRM CC[C@@H](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000182911628 381181540 /nfs/dbraw/zinc/18/15/40/381181540.db2.gz QKDVXIXCAPIFLX-BDAKNGLRSA-N -1 0 266.297 2.921 20 5 CFBDRM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)n1 ZINC000183107608 381216428 /nfs/dbraw/zinc/21/64/28/381216428.db2.gz QUAYSAQZSPCRFJ-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM CC(C)(CC(F)F)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000412244942 381230643 /nfs/dbraw/zinc/23/06/43/381230643.db2.gz MRJCJPNFRNBXNC-UHFFFAOYSA-N -1 0 288.250 2.920 20 5 CFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC2)C1 ZINC000290374881 381403954 /nfs/dbraw/zinc/40/39/54/381403954.db2.gz ASOSYKHCZDUGJG-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM C[C@H]1CC(C)(C)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000412785221 381441458 /nfs/dbraw/zinc/44/14/58/381441458.db2.gz RUWHSYVVVZUIJU-VIFPVBQESA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@@H](C)n1nc([N-]c2nccc(C)c2[N+](=O)[O-])cc1C ZINC000342778288 381532822 /nfs/dbraw/zinc/53/28/22/381532822.db2.gz COMLZBZCNRFXDO-SNVBAGLBSA-N -1 0 289.339 2.940 20 5 CFBDRM CCCC[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000291179430 381697046 /nfs/dbraw/zinc/69/70/46/381697046.db2.gz HZWKLNJMVMBZJJ-SNVBAGLBSA-N -1 0 280.324 2.951 20 5 CFBDRM CC1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000186168928 381842163 /nfs/dbraw/zinc/84/21/63/381842163.db2.gz RGRNPILETPSYCE-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000186021832 381804134 /nfs/dbraw/zinc/80/41/34/381804134.db2.gz ACKLMVZVEZKSPO-ZJUUUORDSA-N -1 0 264.281 2.531 20 5 CFBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC000186368954 381892390 /nfs/dbraw/zinc/89/23/90/381892390.db2.gz XPBYOLXECIJLKV-VIFPVBQESA-N -1 0 278.308 2.609 20 5 CFBDRM CCC1(CC)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000294043270 382392445 /nfs/dbraw/zinc/39/24/45/382392445.db2.gz FMIRTKUXNFKWOV-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC12CCCC2 ZINC000366075506 382474227 /nfs/dbraw/zinc/47/42/27/382474227.db2.gz DUJRHDXVBJUAGY-UHFFFAOYSA-N -1 0 290.319 2.849 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000312133954 382511090 /nfs/dbraw/zinc/51/10/90/382511090.db2.gz WNCGHEDJYYNARM-SSDOTTSWSA-N -1 0 286.234 2.674 20 5 CFBDRM CCC1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCC1 ZINC000380393484 382513958 /nfs/dbraw/zinc/51/39/58/382513958.db2.gz NVCCTVVXOLQXJQ-UHFFFAOYSA-N -1 0 279.296 2.680 20 5 CFBDRM CO[C@@H]([C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CC1 ZINC000384336911 382552433 /nfs/dbraw/zinc/55/24/33/382552433.db2.gz WGKJFIIXUYQDMD-OQPBUACISA-N -1 0 294.307 2.518 20 5 CFBDRM CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCC1 ZINC000384907064 382562256 /nfs/dbraw/zinc/56/22/56/382562256.db2.gz CKPVIXSRVVOOFK-UHFFFAOYSA-N -1 0 292.335 2.857 20 5 CFBDRM Cc1cccc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000358375083 382593690 /nfs/dbraw/zinc/59/36/90/382593690.db2.gz HBXIOYVZWZTGCI-UHFFFAOYSA-N -1 0 286.287 2.539 20 5 CFBDRM CC1CCC(N(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000387049380 382595345 /nfs/dbraw/zinc/59/53/45/382595345.db2.gz NFFPXBAJAMGLCX-UHFFFAOYSA-N -1 0 293.323 2.703 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397760060 382634130 /nfs/dbraw/zinc/63/41/30/382634130.db2.gz JZEKVNZHCGPTPB-ILWJIGKKSA-N -1 0 262.265 2.503 20 5 CFBDRM CC(C)(CO)CCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000393435337 382623725 /nfs/dbraw/zinc/62/37/25/382623725.db2.gz DYIBPJWKRAPBDZ-UHFFFAOYSA-N -1 0 296.323 2.504 20 5 CFBDRM CC(C)(CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000336893087 382738424 /nfs/dbraw/zinc/73/84/24/382738424.db2.gz SZMDPPIBBRSEEI-UHFFFAOYSA-N -1 0 292.335 2.857 20 5 CFBDRM CC[C@H](C)n1nc([N-]c2ncc([N+](=O)[O-])s2)cc1C ZINC000337023058 382753585 /nfs/dbraw/zinc/75/35/85/382753585.db2.gz SXBYHZMDYNIUQO-ZETCQYMHSA-N -1 0 281.341 2.693 20 5 CFBDRM CCC1CCC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000232898335 382870358 /nfs/dbraw/zinc/87/03/58/382870358.db2.gz PVXHQNFAVKGDET-UHFFFAOYSA-N -1 0 292.335 2.999 20 5 CFBDRM CCC1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000232893033 382870530 /nfs/dbraw/zinc/87/05/30/382870530.db2.gz NTCUSJCSAALRCE-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM O=C([O-])Cc1ccc(N[C@@H]2CCC[C@@H]2F)c([N+](=O)[O-])c1 ZINC000578870785 382961650 /nfs/dbraw/zinc/96/16/50/382961650.db2.gz DMZVIPLGNCJKNK-VHSXEESVSA-N -1 0 282.271 2.524 20 5 CFBDRM C[C@H]1CCCC[C@]1(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457272174 383008805 /nfs/dbraw/zinc/00/88/05/383008805.db2.gz UHGABCPLPQSEGZ-BONVTDFDSA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000579591874 383032223 /nfs/dbraw/zinc/03/22/23/383032223.db2.gz RNJYDFASOSVMQL-GYSYKLTISA-N -1 0 292.335 2.698 20 5 CFBDRM CN(Cc1cccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338896153 383078416 /nfs/dbraw/zinc/07/84/16/383078416.db2.gz VWTYABUIAZIYCY-UHFFFAOYSA-N -1 0 278.333 2.994 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H]1c1ccccc1 ZINC000339168972 383173955 /nfs/dbraw/zinc/17/39/55/383173955.db2.gz KOMVKSGBYMHIKF-ZDUSSCGKSA-N -1 0 298.298 2.888 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCC[C@H](F)C1 ZINC000424753944 383252022 /nfs/dbraw/zinc/25/20/22/383252022.db2.gz CFKUWYTWASVWJN-BDAKNGLRSA-N -1 0 282.271 2.767 20 5 CFBDRM O=C(NCC12CCC(CC1)C2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000339932383 383343494 /nfs/dbraw/zinc/34/34/94/383343494.db2.gz STRPFKNQMSCTIA-UHFFFAOYSA-N -1 0 290.319 2.611 20 5 CFBDRM CC(C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-])=Cc1ccccc1 ZINC000254611925 383469631 /nfs/dbraw/zinc/46/96/31/383469631.db2.gz HYUVHTILEKQBPA-QRLRYFCNSA-N -1 0 299.286 2.913 20 5 CFBDRM Cc1nc([N-]c2cnn([C@H](C)C3CC3)c2)ncc1[N+](=O)[O-] ZINC000450457007 383417670 /nfs/dbraw/zinc/41/76/70/383417670.db2.gz ZJFBLCUAADXADN-SECBINFHSA-N -1 0 288.311 2.604 20 5 CFBDRM CC1(C)CC[C@@H]1[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000569883736 383547132 /nfs/dbraw/zinc/54/71/32/383547132.db2.gz ZWVWQWSRVWDKEV-LBPRGKRZSA-N -1 0 250.298 2.579 20 5 CFBDRM Cc1cc(N2CCC[C@@](C)(F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569366899 383493013 /nfs/dbraw/zinc/49/30/13/383493013.db2.gz PHKVFYDKKQOQBB-CQSZACIVSA-N -1 0 296.298 2.930 20 5 CFBDRM CCSCC[C@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280895120 195019218 /nfs/dbraw/zinc/01/92/18/195019218.db2.gz HAXBWZAXHKSEFT-VIFPVBQESA-N -1 0 298.364 2.562 20 5 CFBDRM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179416792 296352643 /nfs/dbraw/zinc/35/26/43/296352643.db2.gz YEMHARWKAHMMRF-ZWNOBZJWSA-N -1 0 292.335 2.951 20 5 CFBDRM Cc1nnc(SCc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000436477159 383821659 /nfs/dbraw/zinc/82/16/59/383821659.db2.gz WOSVQNSJNLILAE-UHFFFAOYSA-N -1 0 283.334 2.753 20 5 CFBDRM CCc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000436704782 383875738 /nfs/dbraw/zinc/87/57/38/383875738.db2.gz PRQAMQYXDGPLKW-UHFFFAOYSA-N -1 0 287.275 2.510 20 5 CFBDRM O=C(NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436861646 383898120 /nfs/dbraw/zinc/89/81/20/383898120.db2.gz LWAARHOCLDFSIT-UHFFFAOYSA-N -1 0 278.308 2.753 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2sccc2C1 ZINC000338931973 285137158 /nfs/dbraw/zinc/13/71/58/285137158.db2.gz VSVLHOXWOSYKNT-UHFFFAOYSA-N -1 0 290.344 2.920 20 5 CFBDRM CCCC(C)(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280784225 385152435 /nfs/dbraw/zinc/15/24/35/385152435.db2.gz CVQAVPZLSWPCES-UHFFFAOYSA-N -1 0 266.297 2.609 20 5 CFBDRM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272613646 385575506 /nfs/dbraw/zinc/57/55/06/385575506.db2.gz WVPXFCSVDGPZNQ-KOLCDFICSA-N 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C[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000571646879 383713623 /nfs/dbraw/zinc/71/36/23/383713623.db2.gz WILQKWODYWUERZ-SECBINFHSA-N -1 0 293.323 2.560 20 5 CFBDRM CCC(CC)(CNc1cccc(OC)c1[N+](=O)[O-])C(=O)[O-] ZINC000134890241 378058809 /nfs/dbraw/zinc/05/88/09/378058809.db2.gz WAGSTGOSYJASIB-UHFFFAOYSA-N -1 0 296.323 2.906 20 5 CFBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000153360091 378488222 /nfs/dbraw/zinc/48/82/22/378488222.db2.gz XWGYBENIMKDRSW-NXEZZACHSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000155517503 378628542 /nfs/dbraw/zinc/62/85/42/378628542.db2.gz ATQMSPXCZKMDAY-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@H]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000332261163 378741545 /nfs/dbraw/zinc/74/15/45/378741545.db2.gz CEFSSXNROLNPKW-JQWIXIFHSA-N -1 0 292.335 2.999 20 5 CFBDRM CN(CC1CCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164420189 379015293 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CC[C@H](C)[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000577874855 382874157 /nfs/dbraw/zinc/87/41/57/382874157.db2.gz CKADYALDDNYJMO-XPTSAGLGSA-N -1 0 296.323 2.502 20 5 CFBDRM CC(C)[C@@H]1CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578752566 382951134 /nfs/dbraw/zinc/95/11/34/382951134.db2.gz SXOPDFOYEKCRQA-JTQLQIEISA-N -1 0 298.726 2.824 20 5 CFBDRM O=C(NC12CCC(CC1)CC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000456266231 382955793 /nfs/dbraw/zinc/95/57/93/382955793.db2.gz CJZPZZNXZHZLFJ-UHFFFAOYSA-N -1 0 290.319 2.753 20 5 CFBDRM CO[C@@H]1CCC[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000579112534 382982958 /nfs/dbraw/zinc/98/29/58/382982958.db2.gz DSQGPRHKEQXESH-ZWNOBZJWSA-N -1 0 294.307 2.520 20 5 CFBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000457678425 383069163 /nfs/dbraw/zinc/06/91/63/383069163.db2.gz UHXCZABUGKZWMR-MRVPVSSYSA-N -1 0 264.281 2.675 20 5 CFBDRM CC(C)[C@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000567978736 383338791 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CC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000572845601 383825890 /nfs/dbraw/zinc/82/58/90/383825890.db2.gz ZQQZDRRCEPDIJT-QWRGUYRKSA-N -1 0 294.307 2.663 20 5 CFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](CC2CC2)C1 ZINC000436716044 383878261 /nfs/dbraw/zinc/87/82/61/383878261.db2.gz NYKILKPAJMZUEL-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H]1c1ccccc1 ZINC000436972843 383897202 /nfs/dbraw/zinc/89/72/02/383897202.db2.gz QKGZNMLPZVXRBJ-AWEZNQCLSA-N -1 0 298.298 2.888 20 5 CFBDRM CC1=C[C@@H](C)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573497594 383938569 /nfs/dbraw/zinc/93/85/69/383938569.db2.gz ZNCHSXCFVMNHQX-SECBINFHSA-N -1 0 276.292 2.695 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCCc2occc2C1 ZINC000339202141 285136451 /nfs/dbraw/zinc/13/64/51/285136451.db2.gz HKMYYHBZVNVDKQ-UHFFFAOYSA-N -1 0 288.303 2.842 20 5 CFBDRM C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000178433901 296382187 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O=Cc1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000095495115 184998488 /nfs/dbraw/zinc/99/84/88/184998488.db2.gz YTVPXNAVGDJUKN-UHFFFAOYSA-N -1 0 277.257 2.834 20 5 CFBDRM C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594541377 349444229 /nfs/dbraw/zinc/44/42/29/349444229.db2.gz SMICCCYWMJQASO-BIIVOSGPSA-N -1 0 299.352 2.599 20 5 CFBDRM Cc1cccc(NC[C@@H](CC(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC000594737169 349484629 /nfs/dbraw/zinc/48/46/29/349484629.db2.gz XYYKRBYRLAWCQS-LLVKDONJSA-N -1 0 278.308 2.816 20 5 CFBDRM C[C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1 ZINC000594735672 349484910 /nfs/dbraw/zinc/48/49/10/349484910.db2.gz MQGVGFBCOGWMTA-ONGXEEELSA-N -1 0 294.307 2.663 20 5 CFBDRM CC(C)(C)n1cc(-c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])n1 ZINC000594873089 349491639 /nfs/dbraw/zinc/49/16/39/349491639.db2.gz MVDJYIQMLMNAFH-UHFFFAOYSA-N -1 0 289.291 2.912 20 5 CFBDRM Cc1ccc(NC[C@@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000594734588 349484141 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C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000175344687 232310581 /nfs/dbraw/zinc/31/05/81/232310581.db2.gz FRMPARQJKCAWEL-JTQLQIEISA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)S1 ZINC000078653316 347267426 /nfs/dbraw/zinc/26/74/26/347267426.db2.gz DUHGLBPAUJKLAQ-IUCAKERBSA-N -1 0 296.348 2.623 20 5 CFBDRM O=C([O-])CCC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000086755679 347488249 /nfs/dbraw/zinc/48/82/49/347488249.db2.gz WZDWMOYVIQAHKC-UHFFFAOYSA-N -1 0 298.364 2.733 20 5 CFBDRM CCOc1cc(NC[C@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000087506510 347496162 /nfs/dbraw/zinc/49/61/62/347496162.db2.gz JJESAMFUMWJXMM-NSHDSACASA-N -1 0 296.323 2.762 20 5 CFBDRM CC[C@H](Sc1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000097824145 347710299 /nfs/dbraw/zinc/71/02/99/347710299.db2.gz NIULAXSCKNRKFL-VIFPVBQESA-N -1 0 255.295 2.859 20 5 CFBDRM O=C([O-])c1cc(NCCCC2CC2)ccc1[N+](=O)[O-] ZINC000157340513 348000024 /nfs/dbraw/zinc/00/00/24/348000024.db2.gz 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287.250 2.993 20 5 CFBDRM COc1cccc(NCCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000134881825 378058694 /nfs/dbraw/zinc/05/86/94/378058694.db2.gz ZORSLVOTOGCWMY-UHFFFAOYSA-N -1 0 282.296 2.660 20 5 CFBDRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000154335613 378559137 /nfs/dbraw/zinc/55/91/37/378559137.db2.gz YCHRYRIUJIYLMK-GHMZBOCLSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H]1CC(C)(C)CN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000412772494 296283933 /nfs/dbraw/zinc/28/39/33/296283933.db2.gz ZIXYAIUVRWJPSC-SECBINFHSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H]1CC(C)(C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000412765294 296283991 /nfs/dbraw/zinc/28/39/91/296283991.db2.gz AOPQMPSOSZNJCK-SECBINFHSA-N -1 0 278.308 2.561 20 5 CFBDRM COc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000163963650 378998446 /nfs/dbraw/zinc/99/84/46/378998446.db2.gz JMLPAZGZSOPGCJ-UHFFFAOYSA-N -1 0 288.259 2.561 20 5 CFBDRM C[C@@H]1CCCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000186429215 296306944 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O=[N+]([O-])c1ccc([O-])cc1CN1CCc2ccccc21 ZINC000356960692 381926515 /nfs/dbraw/zinc/92/65/15/381926515.db2.gz CKESBHYQEVECGJ-UHFFFAOYSA-N -1 0 270.288 2.863 20 5 CFBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)s2)[nH]1 ZINC000352021296 382134508 /nfs/dbraw/zinc/13/45/08/382134508.db2.gz ONAPOBIFMJZAKX-IWQZZHSRSA-N -1 0 299.695 2.681 20 5 CFBDRM Cc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000352025662 382138333 /nfs/dbraw/zinc/13/83/33/382138333.db2.gz FTVQLPPDEPJSGQ-WAYWQWQTSA-N -1 0 287.275 2.583 20 5 CFBDRM CC[C@H](C)[C@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000381675861 382523366 /nfs/dbraw/zinc/52/33/66/382523366.db2.gz ALZVNUGJLQBDBQ-YUMQZZPRSA-N -1 0 267.285 2.535 20 5 CFBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000346818805 382529003 /nfs/dbraw/zinc/52/90/03/382529003.db2.gz FFMZOAOPKAXQJL-UHFFFAOYSA-N -1 0 298.298 2.893 20 5 CFBDRM CC(F)(F)CCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000389702854 382616580 /nfs/dbraw/zinc/61/65/80/382616580.db2.gz UJAGYUXQEMCJBH-UHFFFAOYSA-N -1 0 289.238 2.535 20 5 CFBDRM C[C@H]1CCC[C@@H]1N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000336922182 382742415 /nfs/dbraw/zinc/74/24/15/382742415.db2.gz HXHYKIGRJHETPJ-CABZTGNLSA-N -1 0 288.307 2.667 20 5 CFBDRM CCC(C)(C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000233066731 382870772 /nfs/dbraw/zinc/87/07/72/382870772.db2.gz PEBXTXQEWBIYOE-UHFFFAOYSA-N -1 0 266.297 2.561 20 5 CFBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)C(C)C ZINC000577962344 382877885 /nfs/dbraw/zinc/87/78/85/382877885.db2.gz RBGCHQPEKVJWDK-SNVBAGLBSA-N -1 0 280.324 2.807 20 5 CFBDRM O=C(N[C@@H](C1CC1)C1CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457246760 383002689 /nfs/dbraw/zinc/00/26/89/383002689.db2.gz NYYSHPVRUHWFQN-CQSZACIVSA-N -1 0 290.319 2.609 20 5 CFBDRM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457279074 383010914 /nfs/dbraw/zinc/01/09/14/383010914.db2.gz LKKUOLLXULGFBE-ZFWWWQNUSA-N -1 0 292.335 2.855 20 5 CFBDRM C[C@@]1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1F ZINC000424750009 383251152 /nfs/dbraw/zinc/25/11/52/383251152.db2.gz FLYLAGYIZVZWIY-LDYMZIIASA-N -1 0 288.662 2.640 20 5 CFBDRM Cc1cc(N2[C@H](C)CC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568767824 383436232 /nfs/dbraw/zinc/43/62/32/383436232.db2.gz XZHDDKXYSIETEX-NXEZZACHSA-N -1 0 278.308 2.979 20 5 CFBDRM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000450537335 383450463 /nfs/dbraw/zinc/45/04/63/383450463.db2.gz CONRFRXXMPXHER-ATZCPNFKSA-N -1 0 276.292 2.675 20 5 CFBDRM O=C(CC1CC(F)(F)C1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000450537008 383450554 /nfs/dbraw/zinc/45/05/54/383450554.db2.gz BOHRMTRCBQRNGG-UHFFFAOYSA-N -1 0 286.234 2.674 20 5 CFBDRM C[C@H](N=c1[n-]c(C2CCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000450562300 383462902 /nfs/dbraw/zinc/46/29/02/383462902.db2.gz QYTHMOMXLHGCLM-VIFPVBQESA-N -1 0 288.307 2.840 20 5 CFBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3CC=CCC3)[n-]2)cc1 ZINC000486970320 383476004 /nfs/dbraw/zinc/47/60/04/383476004.db2.gz QWASLEBNWKACGU-LLVKDONJSA-N -1 0 286.291 2.587 20 5 CFBDRM Cc1cccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000427921858 383418323 /nfs/dbraw/zinc/41/83/23/383418323.db2.gz HLQXHVYFPUQZTB-UHFFFAOYSA-N -1 0 286.287 2.539 20 5 CFBDRM Cc1cc(NC2CC(F)(F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570520371 383612127 /nfs/dbraw/zinc/61/21/27/383612127.db2.gz VOLPQAINHXBATG-UHFFFAOYSA-N -1 0 286.234 2.811 20 5 CFBDRM O=C(N[C@H]1C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436667831 383869087 /nfs/dbraw/zinc/86/90/87/383869087.db2.gz ZLFRMNPANFEODW-JSGCOSHPSA-N -1 0 298.298 2.586 20 5 CFBDRM CCC(C)(CC)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436668407 383869309 /nfs/dbraw/zinc/86/93/09/383869309.db2.gz CCSWRAAHYNFOAC-UHFFFAOYSA-N -1 0 266.297 2.609 20 5 CFBDRM O=C(NCC1(C2CC2)CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000281058492 195087213 /nfs/dbraw/zinc/08/72/13/195087213.db2.gz RNRLIMWFOCZQBN-UHFFFAOYSA-N -1 0 290.319 2.611 20 5 CFBDRM O=C(NC1CCCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436751344 383890043 /nfs/dbraw/zinc/89/00/43/383890043.db2.gz KSZWMAPAGSWVKX-UHFFFAOYSA-N -1 0 278.308 2.753 20 5 CFBDRM C[C@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280695013 385117082 /nfs/dbraw/zinc/11/70/82/385117082.db2.gz DUYZEIXWCHQHLG-VHSXEESVSA-N -1 0 278.308 2.609 20 5 CFBDRM CCCC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272693182 385589350 /nfs/dbraw/zinc/58/93/50/385589350.db2.gz QZOJIHPUYUQPNM-UHFFFAOYSA-N -1 0 278.308 2.611 20 5 CFBDRM CSCC[C@H](C)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272701365 385592419 /nfs/dbraw/zinc/59/24/19/385592419.db2.gz UOFGKFUEQBUOGD-VIFPVBQESA-N -1 0 298.364 2.514 20 5 CFBDRM COc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000427672496 533614846 /nfs/dbraw/zinc/61/48/46/533614846.db2.gz NHKYFGAURDGALK-UHFFFAOYSA-N -1 0 288.259 2.561 20 5 CFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@H](CC2CC2)C1 ZINC000359731458 130535706 /nfs/dbraw/zinc/53/57/06/130535706.db2.gz QLDNXBXNCXSLFL-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM CC[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269108436 132113760 /nfs/dbraw/zinc/11/37/60/132113760.db2.gz CIEHBUXPQUMUNT-JTQLQIEISA-N -1 0 278.308 2.563 20 5 CFBDRM CC(C)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000269279019 132148746 /nfs/dbraw/zinc/14/87/46/132148746.db2.gz KMTFEDUGTWYMOD-UHFFFAOYSA-N -1 0 278.308 2.561 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(C1CC1)C1CCCC1 ZINC000184751057 393529864 /nfs/dbraw/zinc/52/98/64/393529864.db2.gz FMBUSUPNWSNYAP-UHFFFAOYSA-N -1 0 290.319 2.848 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1 ZINC000048652090 393592364 /nfs/dbraw/zinc/59/23/64/393592364.db2.gz MKSAAPWOIHKWFH-UHFFFAOYSA-N -1 0 292.316 2.704 20 5 CFBDRM CCC[C@H](CC)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000195332578 393738634 /nfs/dbraw/zinc/73/86/34/393738634.db2.gz ZMGVGBRVSHFGTL-JTQLQIEISA-N -1 0 266.297 2.609 20 5 CFBDRM CCCC[C@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000416433727 393919193 /nfs/dbraw/zinc/91/91/93/393919193.db2.gz QMVNTWFNIVJDQO-JTQLQIEISA-N -1 0 281.312 2.662 20 5 CFBDRM Cc1cc(N[C@@H](CCC(C)(C)C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000416436964 393920098 /nfs/dbraw/zinc/92/00/98/393920098.db2.gz FQNPRJBENSGZKV-JTQLQIEISA-N -1 0 295.339 2.990 20 5 CFBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ncccc1[O-] ZINC000122494776 393969753 /nfs/dbraw/zinc/96/97/53/393969753.db2.gz YFERXZPQTRDXGW-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC(C)(C)C1 ZINC000436833165 394026351 /nfs/dbraw/zinc/02/63/51/394026351.db2.gz JFPMEKHTAHIPJC-JTQLQIEISA-N -1 0 292.335 2.809 20 5 CFBDRM C[C@H](C1CCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436957500 394038896 /nfs/dbraw/zinc/03/88/96/394038896.db2.gz VTJUZFNXEGIULV-SECBINFHSA-N -1 0 278.308 2.561 20 5 CFBDRM CC(C)(C)C(C)(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000437002220 394042793 /nfs/dbraw/zinc/04/27/93/394042793.db2.gz MAWBUSBBVFLVNK-UHFFFAOYSA-N -1 0 280.324 2.855 20 5 CFBDRM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436873663 394031028 /nfs/dbraw/zinc/03/10/28/394031028.db2.gz QQMAUHYXOZASGX-KGLIPLIRSA-N -1 0 298.298 2.586 20 5 CFBDRM CC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420949349 394135709 /nfs/dbraw/zinc/13/57/09/394135709.db2.gz FLHVKNPKOMIYHE-OKILXGFUSA-N -1 0 294.351 2.690 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(C1CC1)C1CCCC1 ZINC000136922987 394236620 /nfs/dbraw/zinc/23/66/20/394236620.db2.gz JWRUZUYPBPFKSM-UHFFFAOYSA-N -1 0 290.319 2.848 20 5 CFBDRM Cc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)n1 ZINC000155950268 394326384 /nfs/dbraw/zinc/32/63/84/394326384.db2.gz AYCIOATYDDWTQD-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H](C)C1 ZINC000077616437 296540921 /nfs/dbraw/zinc/54/09/21/296540921.db2.gz SBHLTFLDLTWLFN-NXEZZACHSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356545922 155298880 /nfs/dbraw/zinc/29/88/80/155298880.db2.gz IHRHDJTYNCRMMC-JTQLQIEISA-N -1 0 286.287 2.791 20 5 CFBDRM Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000349949705 163040857 /nfs/dbraw/zinc/04/08/57/163040857.db2.gz UPROJSRJELFIQI-UHFFFAOYSA-N -1 0 298.345 2.766 20 5 CFBDRM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000155492169 287077826 /nfs/dbraw/zinc/07/78/26/287077826.db2.gz XHQVKNHSBMFDCI-KOLCDFICSA-N -1 0 278.308 2.609 20 5 CFBDRM O=C([O-])c1ccc(COc2cccc([N+](=O)[O-])c2)cc1 ZINC000011826192 170444705 /nfs/dbraw/zinc/44/47/05/170444705.db2.gz WUHJFTAAAXUKNM-UHFFFAOYSA-N -1 0 273.244 2.872 20 5 CFBDRM C[C@@H](C1CC1)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000035207402 172051584 /nfs/dbraw/zinc/05/15/84/172051584.db2.gz WUVHIYLVAURUNL-QMMMGPOBSA-N -1 0 264.281 2.528 20 5 CFBDRM CC[C@H](C)CN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000037173939 173008026 /nfs/dbraw/zinc/00/80/26/173008026.db2.gz BXYUOTXGGGKJJI-VIFPVBQESA-N -1 0 266.297 2.775 20 5 CFBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044619658 175218791 /nfs/dbraw/zinc/21/87/91/175218791.db2.gz FARGXYSNNIMTLX-QMMMGPOBSA-N -1 0 272.688 2.548 20 5 CFBDRM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160121138 264238572 /nfs/dbraw/zinc/23/85/72/264238572.db2.gz YNYACYXDEMEOQQ-ZYHUDNBSSA-N -1 0 292.335 2.857 20 5 CFBDRM CCC[C@@H](CC)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225799786 270256402 /nfs/dbraw/zinc/25/64/02/270256402.db2.gz VMWQWWSQEFMOEI-SECBINFHSA-N -1 0 266.297 2.609 20 5 CFBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC(C)(C)C1 ZINC000395484713 270312931 /nfs/dbraw/zinc/31/29/31/270312931.db2.gz SYZJEKZDXZAMDO-UHFFFAOYSA-N -1 0 278.308 2.561 20 5 CFBDRM CCCC[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000515312421 270367299 /nfs/dbraw/zinc/36/72/99/270367299.db2.gz KIRAZPAVKXXKSG-SECBINFHSA-N -1 0 270.310 2.725 20 5 CFBDRM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000346022817 288019409 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CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000136028843 280780599 /nfs/dbraw/zinc/78/05/99/280780599.db2.gz ZXDLTGDVHFCCQM-UHFFFAOYSA-N -1 0 272.260 2.577 20 5 CFBDRM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000163963407 280808294 /nfs/dbraw/zinc/80/82/94/280808294.db2.gz DLZPURWSMMRVIQ-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM CC1(C)CCC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000217316043 281012138 /nfs/dbraw/zinc/01/21/38/281012138.db2.gz DWGMKEIBWRRVKK-SNVBAGLBSA-N -1 0 292.335 2.999 20 5 CFBDRM CC(C)(C)/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000255581929 281102701 /nfs/dbraw/zinc/10/27/01/281102701.db2.gz QKBQNOCOBOBUDG-SREVYHEPSA-N -1 0 264.281 2.841 20 5 CFBDRM CC1(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000291035393 281221827 /nfs/dbraw/zinc/22/18/27/281221827.db2.gz FQYOLYJBJIZYDF-ZDUSSCGKSA-N -1 0 290.319 2.561 20 5 CFBDRM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000187395767 288377211 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20 5 CFBDRM CC[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160439750 188472793 /nfs/dbraw/zinc/47/27/93/188472793.db2.gz UHJRNVNYIDFKMZ-NSHDSACASA-N -1 0 292.335 2.953 20 5 CFBDRM O=C([O-])Cc1ccc(NC[C@H]2CCCS2)c([N+](=O)[O-])c1 ZINC000569124952 290588075 /nfs/dbraw/zinc/58/80/75/290588075.db2.gz ZSEQCVVAGWMKMO-SNVBAGLBSA-N -1 0 296.348 2.529 20 5 CFBDRM CCC1(CC)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000294446143 199042095 /nfs/dbraw/zinc/04/20/95/199042095.db2.gz PPZWCZIQKZWSIR-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM Cc1ccsc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427913564 540964534 /nfs/dbraw/zinc/96/45/34/540964534.db2.gz LCPDOGRJYAUXDG-UHFFFAOYSA-N -1 0 292.316 2.600 20 5 CFBDRM CC(C)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000183480637 189359557 /nfs/dbraw/zinc/35/95/57/189359557.db2.gz GCRBYKWQWLYDFK-SNVBAGLBSA-N -1 0 292.335 2.950 20 5 CFBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000183516880 189361272 /nfs/dbraw/zinc/36/12/72/189361272.db2.gz GJWRLEMJSAZZHM-UHFFFAOYSA-N -1 0 290.319 2.561 20 5 CFBDRM CC(C)[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000444520837 241146508 /nfs/dbraw/zinc/14/65/08/241146508.db2.gz PWTVANJBSIFRSD-NSHDSACASA-N -1 0 292.335 2.809 20 5 CFBDRM CC(C)C(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000446321533 241294407 /nfs/dbraw/zinc/29/44/07/241294407.db2.gz MEWBEQJNXCKLHV-UHFFFAOYSA-N -1 0 294.351 2.958 20 5 CFBDRM CN(C[C@@H]1CC=CCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000330794804 203245811 /nfs/dbraw/zinc/24/58/11/203245811.db2.gz DDCNULGXCVNHRO-LLVKDONJSA-N -1 0 290.319 2.729 20 5 CFBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccs1 ZINC000014256201 372067975 /nfs/dbraw/zinc/06/79/75/372067975.db2.gz RXGDEWMULHGPJI-UHFFFAOYSA-N -1 0 298.345 2.766 20 5 CFBDRM C[C@H](CC(=O)[O-])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000033640735 372497920 /nfs/dbraw/zinc/49/79/20/372497920.db2.gz RZJMLWHKSWRQOP-ZCFIWIBFSA-N -1 0 292.213 2.889 20 5 CFBDRM O=C([O-])c1cc(NCC2CCC2)ccc1[N+](=O)[O-] ZINC000034653207 372511906 /nfs/dbraw/zinc/51/19/06/372511906.db2.gz XPEOGJSEZNWJCN-UHFFFAOYSA-N -1 0 250.254 2.505 20 5 CFBDRM O=C([O-])c1cc(OCC(F)(F)C(F)F)ccc1[N+](=O)[O-] ZINC000034958349 372522027 /nfs/dbraw/zinc/52/20/27/372522027.db2.gz ZIGTZLFKRARISF-UHFFFAOYSA-N -1 0 297.160 2.572 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)C2CCCC2)n1 ZINC000571408198 383692122 /nfs/dbraw/zinc/69/21/22/383692122.db2.gz SYBUYBYEZKZMFG-SECBINFHSA-N -1 0 293.323 2.987 20 5 CFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC2(CCCC2)C1 ZINC000119090442 376352345 /nfs/dbraw/zinc/35/23/45/376352345.db2.gz DROGBEQIBHPMHL-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM CCC[C@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000130276252 377532691 /nfs/dbraw/zinc/53/26/91/377532691.db2.gz JTJVAKGGLVDOAP-GFCCVEGCSA-N -1 0 296.348 2.616 20 5 CFBDRM CC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130399198 377552735 /nfs/dbraw/zinc/55/27/35/377552735.db2.gz DAZJMQIKNABWRJ-SNVBAGLBSA-N -1 0 278.308 2.563 20 5 CFBDRM CN(C[C@H]1CC=CCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000331231134 378653833 /nfs/dbraw/zinc/65/38/33/378653833.db2.gz HNZOAFRVDZWXRF-NSHDSACASA-N -1 0 290.319 2.729 20 5 CFBDRM CC[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164196702 379009489 /nfs/dbraw/zinc/00/94/89/379009489.db2.gz FYZLIZVGRWITDS-JTQLQIEISA-N -1 0 278.308 2.563 20 5 CFBDRM COc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163961704 378998664 /nfs/dbraw/zinc/99/86/64/378998664.db2.gz SNLJLXUWHAWPAC-UHFFFAOYSA-N -1 0 288.259 2.561 20 5 CFBDRM CC1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000173631387 379760695 /nfs/dbraw/zinc/76/06/95/379760695.db2.gz GRTDORIYVNGUIZ-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000174301150 379861766 /nfs/dbraw/zinc/86/17/66/379861766.db2.gz CWWWFAOVVRSVHX-JQWIXIFHSA-N -1 0 290.319 2.705 20 5 CFBDRM C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1C ZINC000175407692 380059327 /nfs/dbraw/zinc/05/93/27/380059327.db2.gz SAZMLUVXPYHRGU-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179516197 380551732 /nfs/dbraw/zinc/55/17/32/380551732.db2.gz ASMYYQGTVQUOPX-GHMZBOCLSA-N -1 0 292.335 2.951 20 5 CFBDRM CC(C)CC1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000353822485 380878850 /nfs/dbraw/zinc/87/88/50/380878850.db2.gz WVEPIKGZFMMUHR-UHFFFAOYSA-N -1 0 292.335 2.857 20 5 CFBDRM Cc1cscc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354200186 381137235 /nfs/dbraw/zinc/13/72/35/381137235.db2.gz LQCKIXFXYIGEDW-UHFFFAOYSA-N -1 0 278.289 2.923 20 5 CFBDRM C[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184622557 381447719 /nfs/dbraw/zinc/44/77/19/381447719.db2.gz DBQANNNXAJMLKL-JTQLQIEISA-N -1 0 298.298 2.892 20 5 CFBDRM Cc1ccnc([N-]c2cc(C3CC3)n(C)n2)c1[N+](=O)[O-] ZINC000291103208 381667923 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C[C@@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000346391727 382345562 /nfs/dbraw/zinc/34/55/62/382345562.db2.gz FFGHMJKIXOVDAR-RKDXNWHRSA-N -1 0 264.281 2.675 20 5 CFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC12CCCCC2 ZINC000365521365 382407601 /nfs/dbraw/zinc/40/76/01/382407601.db2.gz JCZFLULFLKCGRH-UHFFFAOYSA-N -1 0 290.319 2.849 20 5 CFBDRM C[C@H](N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1(C)CC1 ZINC000385210129 382567965 /nfs/dbraw/zinc/56/79/65/382567965.db2.gz WOAIOBGLDXYAAF-VIFPVBQESA-N -1 0 278.308 2.918 20 5 CFBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C1CC1)C1CC1 ZINC000195301255 382766034 /nfs/dbraw/zinc/76/60/34/382766034.db2.gz UOEJDJOBJSQVSS-UHFFFAOYSA-N -1 0 290.319 2.561 20 5 CFBDRM C[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211928578 382775951 /nfs/dbraw/zinc/77/59/51/382775951.db2.gz USOLSEQHINHKFP-SECBINFHSA-N -1 0 264.281 2.529 20 5 CFBDRM C[C@H](CC(C)(C)C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457204546 382989539 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CC[C@@H](CSC)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119716718 186846910 /nfs/dbraw/zinc/84/69/10/186846910.db2.gz AXBBHZDBKQDRCU-JTQLQIEISA-N -1 0 298.364 2.514 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC12CCCC2 ZINC000611294633 351665218 /nfs/dbraw/zinc/66/52/18/351665218.db2.gz FGTCVUHTHDYYAQ-SNVBAGLBSA-N -1 0 276.292 2.819 20 5 CFBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000271502603 191178730 /nfs/dbraw/zinc/17/87/30/191178730.db2.gz KZMVRYQMTUIBAU-QMMMGPOBSA-N -1 0 266.297 2.921 20 5 CFBDRM CCC(CC)N(CC)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000292263425 198222990 /nfs/dbraw/zinc/22/29/90/198222990.db2.gz SXVANALFHWPWAM-UHFFFAOYSA-N -1 0 280.324 2.951 20 5 CFBDRM CCC[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272674936 191859658 /nfs/dbraw/zinc/85/96/58/191859658.db2.gz LYJHAYCDTJRZGT-NSHDSACASA-N -1 0 292.335 2.953 20 5 CFBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000179407004 189191921 /nfs/dbraw/zinc/19/19/21/189191921.db2.gz 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372616524 /nfs/dbraw/zinc/61/65/24/372616524.db2.gz IGPSNWNJYNFMML-UHFFFAOYSA-N -1 0 266.297 2.960 20 5 CFBDRM O=C(Cc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000084394814 374775408 /nfs/dbraw/zinc/77/54/08/374775408.db2.gz XTHPMHOEVOMXNI-UHFFFAOYSA-N -1 0 290.250 2.621 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]1c1ccco1 ZINC000089531825 374919124 /nfs/dbraw/zinc/91/91/24/374919124.db2.gz RIECAXUTHDRKQF-NXEZZACHSA-N -1 0 288.259 2.636 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@H]1c1ccco1 ZINC000089531823 374920233 /nfs/dbraw/zinc/92/02/33/374920233.db2.gz RIECAXUTHDRKQF-ZJUUUORDSA-N -1 0 288.259 2.636 20 5 CFBDRM CC[C@]1(C)CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119088413 376351803 /nfs/dbraw/zinc/35/18/03/376351803.db2.gz CZMNBEREKXZARU-OAHLLOKOSA-N -1 0 292.335 2.953 20 5 CFBDRM CCC[C@@H]1SCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130269256 377530162 /nfs/dbraw/zinc/53/01/62/377530162.db2.gz UBEHFZSQRYKHJY-NSHDSACASA-N -1 0 296.348 2.616 20 5 CFBDRM CCC(CC)(CC)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432180031 383727175 /nfs/dbraw/zinc/72/71/75/383727175.db2.gz TYQPFWWDSOSOJB-UHFFFAOYSA-N -1 0 280.324 2.999 20 5 CFBDRM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000159997007 378741928 /nfs/dbraw/zinc/74/19/28/378741928.db2.gz AYLVZZOWTRIPON-CMPLNLGQSA-N -1 0 292.335 2.951 20 5 CFBDRM CCC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000160373414 378766747 /nfs/dbraw/zinc/76/67/47/378766747.db2.gz YOYTXPIYXGDWFX-LLVKDONJSA-N -1 0 292.335 2.953 20 5 CFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000163954163 378999017 /nfs/dbraw/zinc/99/90/17/378999017.db2.gz IOBZTWJWGPYOER-UHFFFAOYSA-N -1 0 298.298 2.893 20 5 CFBDRM C[C@H]1CCC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179516188 380551838 /nfs/dbraw/zinc/55/18/38/380551838.db2.gz ASMYYQGTVQUOPX-QWRGUYRKSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C([O-])CCCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000336812210 380673205 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C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184622538 381448717 /nfs/dbraw/zinc/44/87/17/381448717.db2.gz DBQANNNXAJMLKL-SNVBAGLBSA-N -1 0 298.298 2.892 20 5 CFBDRM O=C(N[C@@H]1CCc2ccccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000348660580 381659099 /nfs/dbraw/zinc/65/90/99/381659099.db2.gz KWYKSFCOTJLNHM-CQSZACIVSA-N -1 0 298.298 2.718 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@H]2CCCCC[C@@H]21 ZINC000372246268 381780074 /nfs/dbraw/zinc/78/00/74/381780074.db2.gz BIGPZRGNKVJWST-MFKMUULPSA-N -1 0 290.319 2.705 20 5 CFBDRM CC(C)[C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000186018855 381804264 /nfs/dbraw/zinc/80/42/64/381804264.db2.gz UPOWYUIGFVHBPP-QMMMGPOBSA-N -1 0 252.270 2.531 20 5 CFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC2(CCC2)C1 ZINC000373414360 382000358 /nfs/dbraw/zinc/00/03/58/382000358.db2.gz ADNMGLYKXPZTAQ-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM CCC[C@H](CC)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000362697988 382203368 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C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000579591875 383032228 /nfs/dbraw/zinc/03/22/28/383032228.db2.gz RNJYDFASOSVMQL-JTNHKYCSSA-N -1 0 292.335 2.698 20 5 CFBDRM CC[C@@H]1CC[C@H](C)N1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579479556 383020659 /nfs/dbraw/zinc/02/06/59/383020659.db2.gz SISWBGRMOKIJPU-VHSXEESVSA-N -1 0 293.323 2.764 20 5 CFBDRM CCC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCC1 ZINC000458328423 383164955 /nfs/dbraw/zinc/16/49/55/383164955.db2.gz KTUOOCPPEPTEOH-LBPRGKRZSA-N -1 0 292.335 2.999 20 5 CFBDRM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000450539697 383452230 /nfs/dbraw/zinc/45/22/30/383452230.db2.gz KYPNLNDRQCBQKO-MWLCHTKSSA-N -1 0 278.308 2.921 20 5 CFBDRM C[C@H](N=c1nc(C2CC2)[n-]s1)c1ccc([N+](=O)[O-])cc1 ZINC000450565506 383463646 /nfs/dbraw/zinc/46/36/46/383463646.db2.gz UEPDYDLQUXIXKI-QMMMGPOBSA-N -1 0 290.348 2.919 20 5 CFBDRM Cc1cc(N2CCC3(CCC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570931266 383648491 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O=C(N[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436869350 383897393 /nfs/dbraw/zinc/89/73/93/383897393.db2.gz KYJIJLPJDFKWHZ-AWEZNQCLSA-N -1 0 298.298 2.718 20 5 CFBDRM Cc1cc(N2CCC[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574640843 384127980 /nfs/dbraw/zinc/12/79/80/384127980.db2.gz OTTUOEAJFCQACN-SECBINFHSA-N -1 0 264.281 2.590 20 5 CFBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000281069778 385182595 /nfs/dbraw/zinc/18/25/95/385182595.db2.gz ZQDIQXRGPFDCRX-JQWIXIFHSA-N -1 0 290.319 2.705 20 5 CFBDRM CCCCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280766593 385146054 /nfs/dbraw/zinc/14/60/54/385146054.db2.gz MCLBBIHWPIAUKZ-UHFFFAOYSA-N -1 0 266.297 2.611 20 5 CFBDRM CC[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272542679 385561139 /nfs/dbraw/zinc/56/11/39/385561139.db2.gz OEMFYJUIQWSBLH-LLVKDONJSA-N -1 0 292.335 2.953 20 5 CFBDRM CCC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC1 ZINC000272660908 385584462 /nfs/dbraw/zinc/58/44/62/385584462.db2.gz 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CFBDRM CC(C)(F)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000864513814 638007986 /nfs/dbraw/zinc/00/79/86/638007986.db2.gz JTVNWPXYNOHAIV-GQCTYLIASA-N -1 0 282.271 2.853 20 5 CFBDRM CCC[C@@H](CNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000087512281 650804794 /nfs/dbraw/zinc/80/47/94/650804794.db2.gz HYNRPVUXLRRCRY-VIFPVBQESA-N -1 0 252.270 2.508 20 5 CFBDRM Cc1ccncc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000164003733 769902419 /nfs/dbraw/zinc/90/24/19/769902419.db2.gz OBOHVMOXCFJUPP-UHFFFAOYSA-N -1 0 273.248 2.740 20 5 CFBDRM O=[N+]([O-])c1cccc(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001204468737 770155123 /nfs/dbraw/zinc/15/51/23/770155123.db2.gz KMPBTWZMUMADEA-UHFFFAOYSA-N -1 0 294.288 2.585 20 5 CFBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000693437327 770633087 /nfs/dbraw/zinc/63/30/87/770633087.db2.gz XMFZWMFYJNHZLQ-WPRPVWTQSA-N -1 0 298.726 2.795 20 5 CFBDRM C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1cccnc1 ZINC001225619899 775526514 /nfs/dbraw/zinc/52/65/14/775526514.db2.gz 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CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000179433958 189194626 /nfs/dbraw/zinc/19/46/26/189194626.db2.gz YSJWQLQMUXXPSR-UHFFFAOYSA-N -1 0 278.308 2.705 20 5 CFBDRM CN(CC1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179461899 189195528 /nfs/dbraw/zinc/19/55/28/189195528.db2.gz VJXCNIRRKZGFIA-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CC(C)(C)SCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183901768 189370534 /nfs/dbraw/zinc/37/05/34/189370534.db2.gz YAUDXRFKYHYEBD-UHFFFAOYSA-N -1 0 284.337 2.771 20 5 CFBDRM Cc1cscc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427594105 239322013 /nfs/dbraw/zinc/32/20/13/239322013.db2.gz NVBJGSXUFNQRCC-UHFFFAOYSA-N -1 0 292.316 2.600 20 5 CFBDRM Cc1cc[nH]c1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000436063656 240384616 /nfs/dbraw/zinc/38/46/16/240384616.db2.gz YCLUWXFVXKCUAA-UHFFFAOYSA-N -1 0 295.682 2.843 20 5 CFBDRM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970123 240528315 /nfs/dbraw/zinc/52/83/15/240528315.db2.gz BZOLUGRQNCFNJA-NXEZZACHSA-N -1 0 278.308 2.561 20 5 CFBDRM CCN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436920149 240520357 /nfs/dbraw/zinc/52/03/57/240520357.db2.gz OAJMHKVVAORMEA-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CC(C)C[C@@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443881620 241093321 /nfs/dbraw/zinc/09/33/21/241093321.db2.gz RTDUAHCXWGGKDS-SNVBAGLBSA-N -1 0 290.323 2.913 20 5 CFBDRM CC(C)[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000444517278 241146649 /nfs/dbraw/zinc/14/66/49/241146649.db2.gz FSEGLZAUEDTBHW-LBPRGKRZSA-N -1 0 292.335 2.809 20 5 CFBDRM C[C@H](N=c1[n-]nc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000450554081 242478266 /nfs/dbraw/zinc/47/82/66/242478266.db2.gz KCKYOCQVSQCYNX-QMMMGPOBSA-N -1 0 290.348 2.919 20 5 CFBDRM CC(C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCC1 ZINC000456141484 244087261 /nfs/dbraw/zinc/08/72/61/244087261.db2.gz FUUWWNJUEASURC-UHFFFAOYSA-N -1 0 278.308 2.609 20 5 CFBDRM Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000026023214 372312792 /nfs/dbraw/zinc/31/27/92/372312792.db2.gz OHRXEMBQLRVHMF-UHFFFAOYSA-N -1 0 286.287 2.539 20 5 CFBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccn1 ZINC000035122942 372542673 /nfs/dbraw/zinc/54/26/73/372542673.db2.gz JPBCAZCQNITFTI-SECBINFHSA-N -1 0 287.275 2.861 20 5 CFBDRM CN(Cc1ccoc1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000048553478 373198387 /nfs/dbraw/zinc/19/83/87/373198387.db2.gz HZIBPSAFNXHZDG-UHFFFAOYSA-N -1 0 276.248 2.522 20 5 CFBDRM C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000054334643 373521098 /nfs/dbraw/zinc/52/10/98/373521098.db2.gz AWPZYFDRHSZEHG-LURJTMIESA-N -1 0 292.213 2.746 20 5 CFBDRM O=C(NCCC1=CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119349598 376399416 /nfs/dbraw/zinc/39/94/16/376399416.db2.gz POENGQFDFOTGRY-UHFFFAOYSA-N -1 0 276.292 2.531 20 5 CFBDRM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000155517867 378628658 /nfs/dbraw/zinc/62/86/58/378628658.db2.gz ATQMSPXCZKMDAY-VHSXEESVSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000159996877 378742101 /nfs/dbraw/zinc/74/21/01/378742101.db2.gz AYLVZZOWTRIPON-ZYHUDNBSSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](C)C1 ZINC000159395340 378707492 /nfs/dbraw/zinc/70/74/92/378707492.db2.gz RSERWWGTECGBSC-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCC1 ZINC000161682728 378863823 /nfs/dbraw/zinc/86/38/23/378863823.db2.gz MOZPNPVFXAAABW-UHFFFAOYSA-N -1 0 278.308 2.705 20 5 CFBDRM O=C(N[C@@H]1CCc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164062707 379003447 /nfs/dbraw/zinc/00/34/47/379003447.db2.gz SVXKQSFDTDBPIU-CYBMUJFWSA-N -1 0 298.298 2.718 20 5 CFBDRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000176615998 380257209 /nfs/dbraw/zinc/25/72/09/380257209.db2.gz IAXUOTNCEJROPI-GHMZBOCLSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000180781370 380699259 /nfs/dbraw/zinc/69/92/59/380699259.db2.gz PRHMIAXQIHPPRW-UHFFFAOYSA-N -1 0 293.666 2.601 20 5 CFBDRM C[C@@H](c1ccco1)N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000341222720 380840411 /nfs/dbraw/zinc/84/04/11/380840411.db2.gz WHIWQBFTGLKPEO-VIFPVBQESA-N -1 0 290.275 2.727 20 5 CFBDRM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181873375 380924525 /nfs/dbraw/zinc/92/45/25/380924525.db2.gz RTAUAQZYODQJOV-GHMZBOCLSA-N -1 0 292.335 2.951 20 5 CFBDRM CC(C)CCc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000358692946 381017741 /nfs/dbraw/zinc/01/77/41/381017741.db2.gz OPYWANISUDJZGC-UHFFFAOYSA-N -1 0 277.280 2.939 20 5 CFBDRM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000370632939 381479649 /nfs/dbraw/zinc/47/96/49/381479649.db2.gz BTAJIJJFCCWRGT-JTQLQIEISA-N -1 0 290.319 2.705 20 5 CFBDRM O=C(Nc1cc(C2CC2)ccn1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000359661813 381541175 /nfs/dbraw/zinc/54/11/75/381541175.db2.gz BLANXEPOYOHZJZ-UHFFFAOYSA-N -1 0 299.286 2.825 20 5 CFBDRM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185154434 381547433 /nfs/dbraw/zinc/54/74/33/381547433.db2.gz PGTJPDXSPNFMCM-AOOOYVTPSA-N -1 0 278.308 2.704 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c([N-]c2cc(C3CC3)n(C)n2)n1 ZINC000291053819 381649346 /nfs/dbraw/zinc/64/93/46/381649346.db2.gz DYTRARDUQRHGNS-UHFFFAOYSA-N -1 0 273.296 2.653 20 5 CFBDRM CCN(CCC1CC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355319168 381747945 /nfs/dbraw/zinc/74/79/45/381747945.db2.gz RTIPDULIPWEHCY-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM Cc1ccccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000349244455 381862128 /nfs/dbraw/zinc/86/21/28/381862128.db2.gz DCXBKTBKCRGXCU-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM Cc1cccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000349246031 381863370 /nfs/dbraw/zinc/86/33/70/381863370.db2.gz KENBBQSOTYUHDJ-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM O=c1cc(CNc2cccc([N+](=O)[O-])c2)nc(C2CC2)[nH]1 ZINC000417001373 381983730 /nfs/dbraw/zinc/98/37/30/381983730.db2.gz ZYVPNRNPONJWKH-UHFFFAOYSA-N -1 0 286.291 2.580 20 5 CFBDRM CSCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186974120 382064342 /nfs/dbraw/zinc/06/43/42/382064342.db2.gz WMVMGHVOVMQYBA-UHFFFAOYSA-N -1 0 298.364 2.564 20 5 CFBDRM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000300585211 382065734 /nfs/dbraw/zinc/06/57/34/382065734.db2.gz XWIZCPXZSRWQGV-MNOVXSKESA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1C ZINC000187049569 382085580 /nfs/dbraw/zinc/08/55/80/382085580.db2.gz JQOGETPKQNIVBN-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM CCC[C@@H](CC)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000362697987 382203561 /nfs/dbraw/zinc/20/35/61/382203561.db2.gz GERPKAHZZYCRDN-SECBINFHSA-N -1 0 266.297 2.609 20 5 CFBDRM CCc1csc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000352269846 382256209 /nfs/dbraw/zinc/25/62/09/382256209.db2.gz YXFUURZQKAAZJU-UHFFFAOYSA-N -1 0 293.304 2.572 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@H]2CCCCC[C@H]21 ZINC000378082513 382396210 /nfs/dbraw/zinc/39/62/10/382396210.db2.gz HJXVMVBVTJYVSZ-VXGBXAGGSA-N -1 0 290.319 2.705 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC12CCCC2 ZINC000314300802 382525236 /nfs/dbraw/zinc/52/52/36/382525236.db2.gz LIRRRXYBVUFTIM-UHFFFAOYSA-N -1 0 290.319 2.849 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2=CCCCC2)n1 ZINC000379572563 382508032 /nfs/dbraw/zinc/50/80/32/382508032.db2.gz SWXCTALPEYSOKC-UHFFFAOYSA-N -1 0 277.280 2.600 20 5 CFBDRM CC[C@@](C)(CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)OC ZINC000322671518 382540968 /nfs/dbraw/zinc/54/09/68/382540968.db2.gz FYHRNISWQPMWNU-ZDUSSCGKSA-N -1 0 282.296 2.520 20 5 CFBDRM O=C(Nc1cccc(C2CC2)n1)c1cccc([O-])c1[N+](=O)[O-] ZINC000353678687 382603356 /nfs/dbraw/zinc/60/33/56/382603356.db2.gz LHWMONOXNXSUIU-UHFFFAOYSA-N -1 0 299.286 2.825 20 5 CFBDRM O=C([O-])c1cc(NCC2CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000394774474 382628820 /nfs/dbraw/zinc/62/88/20/382628820.db2.gz CWIYQORTPPGOLV-UHFFFAOYSA-N -1 0 286.234 2.750 20 5 CFBDRM CN(CC1CCC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211894441 382775747 /nfs/dbraw/zinc/77/57/47/382775747.db2.gz FKUIDDURFBDLTO-UHFFFAOYSA-N -1 0 264.281 2.529 20 5 CFBDRM CC1(C)C[C@H]1Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211921461 382775750 /nfs/dbraw/zinc/77/57/50/382775750.db2.gz KJEXZYFSYRTXRC-SNVBAGLBSA-N -1 0 250.254 2.503 20 5 CFBDRM CCC1(CC)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000228545815 382847530 /nfs/dbraw/zinc/84/75/30/382847530.db2.gz BTVMLKRCRSBBGI-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000026981832 296338724 /nfs/dbraw/zinc/33/87/24/296338724.db2.gz RPBAXDWKVRKMKK-KOLCDFICSA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457272175 383008347 /nfs/dbraw/zinc/00/83/47/383008347.db2.gz UHGABCPLPQSEGZ-MEBBXXQBSA-N -1 0 292.335 2.999 20 5 CFBDRM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000457275201 383009424 /nfs/dbraw/zinc/00/94/24/383009424.db2.gz JUQPUDCCJKNGNW-ZFWWWQNUSA-N -1 0 292.335 2.855 20 5 CFBDRM CS[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000579956376 383070385 /nfs/dbraw/zinc/07/03/85/383070385.db2.gz JKVZTVYFZBZMMM-SNVBAGLBSA-N -1 0 296.348 2.543 20 5 CFBDRM CC[C@@H]1CC[C@@H](C)N1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579479554 383020807 /nfs/dbraw/zinc/02/08/07/383020807.db2.gz SISWBGRMOKIJPU-NXEZZACHSA-N -1 0 293.323 2.764 20 5 CFBDRM CN(Cc1ccoc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338924195 383087600 /nfs/dbraw/zinc/08/76/00/383087600.db2.gz FFIAHLJTGSVKNQ-UHFFFAOYSA-N -1 0 262.265 2.525 20 5 CFBDRM C[C@@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000567238555 383255422 /nfs/dbraw/zinc/25/54/22/383255422.db2.gz PTGUIYIETJMXSE-ZJUUUORDSA-N -1 0 293.323 2.560 20 5 CFBDRM Cc1c([N-]c2ncc([N+](=O)[O-])c(C)n2)cnn1CC(C)C ZINC000450417029 383400569 /nfs/dbraw/zinc/40/05/69/383400569.db2.gz ICZMLMIUQLKXJY-UHFFFAOYSA-N -1 0 290.327 2.598 20 5 CFBDRM CC[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000479677181 383410840 /nfs/dbraw/zinc/41/08/40/383410840.db2.gz PVXHQNFAVKGDET-XYPYZODXSA-N -1 0 292.335 2.999 20 5 CFBDRM CC[C@@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])c(C)n2)c1C ZINC000450479199 383428571 /nfs/dbraw/zinc/42/85/71/383428571.db2.gz MCJRZUJVLJZOHB-MRVPVSSYSA-N -1 0 290.327 2.913 20 5 CFBDRM C[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436671352 383869493 /nfs/dbraw/zinc/86/94/93/383869493.db2.gz KICLIEJIVFVTNY-VHSXEESVSA-N -1 0 278.308 2.609 20 5 CFBDRM CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436534787 383831610 /nfs/dbraw/zinc/83/16/10/383831610.db2.gz XVYVFWGBZIFYNY-UHFFFAOYSA-N -1 0 266.297 2.609 20 5 CFBDRM O=C(Nc1cc(Cl)ccn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436883345 383897887 /nfs/dbraw/zinc/89/78/87/383897887.db2.gz DNCNFSNYUAYAQO-UHFFFAOYSA-N -1 0 293.666 2.601 20 5 CFBDRM CO[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CC(C)C ZINC000574522019 384110122 /nfs/dbraw/zinc/11/01/22/384110122.db2.gz OSXFKWSJNKXGGT-NSHDSACASA-N -1 0 296.323 2.766 20 5 CFBDRM C[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])[C@@H]1C ZINC000283099948 385435828 /nfs/dbraw/zinc/43/58/28/385435828.db2.gz WZMOEWWRIVNAQS-CKYFFXLPSA-N -1 0 292.335 2.855 20 5 CFBDRM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272460259 385542037 /nfs/dbraw/zinc/54/20/37/385542037.db2.gz CDYXVAVXKQONCK-VHSXEESVSA-N -1 0 278.308 2.561 20 5 CFBDRM CC(C)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272378321 385523096 /nfs/dbraw/zinc/52/30/96/385523096.db2.gz IOOOEYAURZOWCZ-LBPRGKRZSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000272697884 385590190 /nfs/dbraw/zinc/59/01/90/385590190.db2.gz SKIVOIIAUJWBCK-VIFPVBQESA-N -1 0 278.308 2.561 20 5 CFBDRM CC(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000181868684 393502795 /nfs/dbraw/zinc/50/27/95/393502795.db2.gz AUBJUMQDFBGNFV-UHFFFAOYSA-N -1 0 292.335 2.951 20 5 CFBDRM Cn1c2ccccc2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000048878369 393606676 /nfs/dbraw/zinc/60/66/76/393606676.db2.gz XQYAMGFMRXRENC-UHFFFAOYSA-N -1 0 269.260 2.854 20 5 CFBDRM CC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC1 ZINC000066650870 393632982 /nfs/dbraw/zinc/63/29/82/393632982.db2.gz WOOMHOYHFIEGRQ-UHFFFAOYSA-N -1 0 278.308 2.611 20 5 CFBDRM Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000077241742 393697430 /nfs/dbraw/zinc/69/74/30/393697430.db2.gz IWWZYOYXVQQXKK-UHFFFAOYSA-N -1 0 292.316 2.600 20 5 CFBDRM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1(F)F ZINC000339127144 393818842 /nfs/dbraw/zinc/81/88/42/393818842.db2.gz XJDHDVAXBFLPHO-SECBINFHSA-N -1 0 286.278 2.778 20 5 CFBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CC1(C)C ZINC000416280429 393896365 /nfs/dbraw/zinc/89/63/65/393896365.db2.gz YDORVFSZUWGHNL-MNOVXSKESA-N -1 0 292.335 2.855 20 5 CFBDRM C[C@@H]1CC[C@@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000430450685 393987427 /nfs/dbraw/zinc/98/74/27/393987427.db2.gz BHNWPWRKTUSRNK-MWLCHTKSSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@H]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000430456762 393988356 /nfs/dbraw/zinc/98/83/56/393988356.db2.gz JZPGTHBVYXYLRH-ONGXEEELSA-N -1 0 278.308 2.561 20 5 CFBDRM CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436964501 394038561 /nfs/dbraw/zinc/03/85/61/394038561.db2.gz IZNHVRTVEFXHCA-UHFFFAOYSA-N -1 0 266.297 2.609 20 5 CFBDRM O=C(Nc1cccc(C2CC2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436998519 394041860 /nfs/dbraw/zinc/04/18/60/394041860.db2.gz HWYZDPWBWQEKOF-UHFFFAOYSA-N -1 0 299.286 2.825 20 5 CFBDRM CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436900892 394033131 /nfs/dbraw/zinc/03/31/31/394033131.db2.gz FCMQICSYPHDSMQ-JTQLQIEISA-N -1 0 292.335 2.809 20 5 CFBDRM COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130280116 394107092 /nfs/dbraw/zinc/10/70/92/394107092.db2.gz WGJSEIDUKQQAOS-UHFFFAOYSA-N -1 0 288.259 2.561 20 5 CFBDRM O=[N+]([O-])c1cc(-c2nc3cc(Cl)cnc3[nH]2)ccc1[O-] ZINC000154691932 394299648 /nfs/dbraw/zinc/29/96/48/394299648.db2.gz HLPGKAQDVCPHCM-UHFFFAOYSA-N -1 0 290.666 2.892 20 5 CFBDRM CCc1ncsc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155988647 394327179 /nfs/dbraw/zinc/32/71/79/394327179.db2.gz GNELUNJACHESHZ-UHFFFAOYSA-N -1 0 293.304 2.572 20 5 CFBDRM CCc1csc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000356552505 155301753 /nfs/dbraw/zinc/30/17/53/155301753.db2.gz RNUXGFPAJUAFPD-UHFFFAOYSA-N -1 0 293.304 2.572 20 5 CFBDRM CCC(CC)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362825278 156093849 /nfs/dbraw/zinc/09/38/49/156093849.db2.gz GUJNBECKNOKBBF-UHFFFAOYSA-N -1 0 276.296 2.667 20 5 CFBDRM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408157492 157382194 /nfs/dbraw/zinc/38/21/94/157382194.db2.gz CVPPCNFZPRVJIQ-VHSXEESVSA-N -1 0 278.308 2.561 20 5 CFBDRM Cc1csc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000344533920 162062541 /nfs/dbraw/zinc/06/25/41/162062541.db2.gz QCPVPAXCYZDJDJ-UHFFFAOYSA-N -1 0 278.289 2.923 20 5 CFBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3ccccc3)[n-]2)cc1 ZINC000346366512 162395977 /nfs/dbraw/zinc/39/59/77/162395977.db2.gz BAHQEWPCEIHVHC-UHFFFAOYSA-N -1 0 296.286 2.679 20 5 CFBDRM O=C([O-])c1ccnc(/C=C\c2csc([N+](=O)[O-])c2)c1 ZINC000347415605 162684159 /nfs/dbraw/zinc/68/41/59/162684159.db2.gz IROQUXLOTGBZMR-UPHRSURJSA-N -1 0 276.273 2.920 20 5 CFBDRM CCc1ccnc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)c1 ZINC000350474109 163084919 /nfs/dbraw/zinc/08/49/19/163084919.db2.gz KZZIQZQECJJGSX-UHFFFAOYSA-N -1 0 285.263 2.597 20 5 CFBDRM CC[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962798 287077846 /nfs/dbraw/zinc/07/78/46/287077846.db2.gz FIVOUZMYOFBQCF-SKDRFNHKSA-N -1 0 278.308 2.609 20 5 CFBDRM CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000456828522 287110617 /nfs/dbraw/zinc/11/06/17/287110617.db2.gz ZLPJGRCBFAKEPB-WDEREUQCSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C(Cc1cccs1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000021027765 171291671 /nfs/dbraw/zinc/29/16/71/171291671.db2.gz OJWZKTLWYSXOHX-UHFFFAOYSA-N -1 0 278.289 2.543 20 5 CFBDRM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000035410943 172182051 /nfs/dbraw/zinc/18/20/51/172182051.db2.gz MPNYVJSNEQNVPG-MRVPVSSYSA-N -1 0 258.661 2.523 20 5 CFBDRM C[C@H](Sc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000037378874 173167259 /nfs/dbraw/zinc/16/72/59/173167259.db2.gz PWCYWEFOHPWPSH-ZETCQYMHSA-N -1 0 278.289 2.708 20 5 CFBDRM O=C([O-])C1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000037561800 173272171 /nfs/dbraw/zinc/27/21/71/173272171.db2.gz SKOGBMCROVWKRZ-UHFFFAOYSA-N -1 0 282.271 2.789 20 5 CFBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000038021292 174000209 /nfs/dbraw/zinc/00/02/09/174000209.db2.gz YMLOJAGHCYGLPQ-UHFFFAOYSA-N -1 0 272.688 2.549 20 5 CFBDRM CC[C@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000044619006 175218770 /nfs/dbraw/zinc/21/87/70/175218770.db2.gz GSTACNRYMKHXQA-SECBINFHSA-N -1 0 272.688 2.548 20 5 CFBDRM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000436988826 296920257 /nfs/dbraw/zinc/92/02/57/296920257.db2.gz NACTZGJLWWLFIF-JTQLQIEISA-N -1 0 292.335 2.809 20 5 CFBDRM Cc1cc(N2CCC=C(F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517570987 260194174 /nfs/dbraw/zinc/19/41/74/260194174.db2.gz JVPRHGHZDBWWLS-UHFFFAOYSA-N -1 0 280.255 2.665 20 5 CFBDRM C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000226978280 270256862 /nfs/dbraw/zinc/25/68/62/270256862.db2.gz XRJAGCALLBBFEX-JTQLQIEISA-N -1 0 278.308 2.705 20 5 CFBDRM CCC1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCC1 ZINC000225822674 270256614 /nfs/dbraw/zinc/25/66/14/270256614.db2.gz WWMIWHRZUGFCDJ-UHFFFAOYSA-N -1 0 278.308 2.611 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232771677 270261049 /nfs/dbraw/zinc/26/10/49/270261049.db2.gz DUVNHYITPQMZKY-HNNXBMFYSA-N -1 0 292.335 2.840 20 5 CFBDRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000235427521 270262141 /nfs/dbraw/zinc/26/21/41/270262141.db2.gz HJUBIBAFKBGGLF-OUAUKWLOSA-N -1 0 292.335 2.807 20 5 CFBDRM O=C(N[C@H](C1CC1)C1CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000325369145 270299275 /nfs/dbraw/zinc/29/92/75/270299275.db2.gz RXFBBZLONIIXBF-AWEZNQCLSA-N -1 0 290.319 2.609 20 5 CFBDRM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000399565471 270329631 /nfs/dbraw/zinc/32/96/31/270329631.db2.gz CJUOKMVWPFGUIH-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM CO[C@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000515301830 270366493 /nfs/dbraw/zinc/36/64/93/270366493.db2.gz CMSWWWHAQVZAHU-ONGXEEELSA-N -1 0 294.307 2.581 20 5 CFBDRM C[C@H]1CCCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000516185325 270378761 /nfs/dbraw/zinc/37/87/61/270378761.db2.gz ZSCLGAGUWNSYQQ-JTQLQIEISA-N -1 0 278.308 2.919 20 5 CFBDRM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273255561 278504165 /nfs/dbraw/zinc/50/41/65/278504165.db2.gz BHEOQMONXYFFNP-ZDUSSCGKSA-N -1 0 292.335 2.951 20 5 CFBDRM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119074784 280605534 /nfs/dbraw/zinc/60/55/34/280605534.db2.gz SRAWNKIYLBVLKV-NXEZZACHSA-N -1 0 280.324 2.855 20 5 CFBDRM O=C(NCCC1=CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164018926 280808282 /nfs/dbraw/zinc/80/82/82/280808282.db2.gz GJWJWWLKBAWGQB-UHFFFAOYSA-N -1 0 290.319 2.921 20 5 CFBDRM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000248496063 281024128 /nfs/dbraw/zinc/02/41/28/281024128.db2.gz LEHXFLZKKVWDEA-CKYFFXLPSA-N -1 0 292.335 2.855 20 5 CFBDRM CC1(C)CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436959361 281111499 /nfs/dbraw/zinc/11/14/99/281111499.db2.gz MWQMOFJYDRTYGW-SECBINFHSA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@H](CCC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000398155951 281204690 /nfs/dbraw/zinc/20/46/90/281204690.db2.gz GJGOYDYMGXUODP-SECBINFHSA-N -1 0 278.308 2.609 20 5 CFBDRM Cc1cc(N[C@H]2CCSC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563205065 290117692 /nfs/dbraw/zinc/11/76/92/290117692.db2.gz JHKZURUTKQLVQG-QMMMGPOBSA-N -1 0 282.321 2.519 20 5 CFBDRM Cc1cc(N[C@@H]2CC[C@H](F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563205277 290117804 /nfs/dbraw/zinc/11/78/04/290117804.db2.gz TZFLATKINABPRB-DTWKUNHWSA-N -1 0 282.271 2.904 20 5 CFBDRM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CC1(C)C ZINC000563536730 290158332 /nfs/dbraw/zinc/15/83/32/290158332.db2.gz GTLAMHKEGSUIHU-SNVBAGLBSA-N -1 0 298.726 2.824 20 5 CFBDRM CC[C@H]1CCCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000565037828 290261748 /nfs/dbraw/zinc/26/17/48/290261748.db2.gz DISUWKHMNPSETC-JTQLQIEISA-N -1 0 293.323 2.623 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC(C)(C)C[C@H]2C)n1 ZINC000565034051 290261794 /nfs/dbraw/zinc/26/17/94/290261794.db2.gz CTSFGWUJDSCIRK-SECBINFHSA-N -1 0 293.323 2.621 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2C(C)C)n1 ZINC000565423813 290300222 /nfs/dbraw/zinc/30/02/22/290300222.db2.gz QHYWIMHZSATISI-LLVKDONJSA-N -1 0 293.323 2.621 20 5 CFBDRM CC(C)=CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566291502 290367892 /nfs/dbraw/zinc/36/78/92/290367892.db2.gz KPUNVOMRIKUBKK-UHFFFAOYSA-N -1 0 264.281 2.980 20 5 CFBDRM O=C([O-])c1ccnc(NC[C@@H]2C[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000566296619 290368417 /nfs/dbraw/zinc/36/84/17/290368417.db2.gz DXUICYIYGPARBP-ONGXEEELSA-N -1 0 291.307 2.536 20 5 CFBDRM Cc1cc(N2CC[C@H](C3CC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567978405 290510526 /nfs/dbraw/zinc/51/05/26/290510526.db2.gz DKBXOPMLJNFVOU-NSHDSACASA-N -1 0 290.319 2.838 20 5 CFBDRM O=C([O-])Cc1ccc(NCC2CCCC2)c([N+](=O)[O-])c1 ZINC000568986184 290580250 /nfs/dbraw/zinc/58/02/50/290580250.db2.gz JUDYWVLMVJAEPI-UHFFFAOYSA-N -1 0 278.308 2.824 20 5 CFBDRM C[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000189469201 299870173 /nfs/dbraw/zinc/87/01/73/299870173.db2.gz JXXJDMIXBGZEJO-CMPLNLGQSA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159395241 297221129 /nfs/dbraw/zinc/22/11/29/297221129.db2.gz RSERWWGTECGBSC-VHSXEESVSA-N -1 0 278.308 2.561 20 5 CFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000164889604 304526497 /nfs/dbraw/zinc/52/64/97/304526497.db2.gz JNMGZNPNUJRLEA-VXGBXAGGSA-N -1 0 290.319 2.563 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000378082512 304531321 /nfs/dbraw/zinc/53/13/21/304531321.db2.gz HJXVMVBVTJYVSZ-RYUDHWBXSA-N -1 0 290.319 2.705 20 5 CFBDRM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187049527 297684021 /nfs/dbraw/zinc/68/40/21/297684021.db2.gz JQOGETPKQNIVBN-VHSXEESVSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@H](C1CC1)N(C(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC1 ZINC000280926905 298255557 /nfs/dbraw/zinc/25/55/57/298255557.db2.gz KBEBDAOJUNTSOJ-SECBINFHSA-N -1 0 290.319 2.704 20 5 CFBDRM C[C@H]1CC[C@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000444000565 300069106 /nfs/dbraw/zinc/06/91/06/300069106.db2.gz HHQXQHHPTUXTJU-ONGXEEELSA-N -1 0 288.307 2.667 20 5 CFBDRM Cc1cc(C)nc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000182142033 301265358 /nfs/dbraw/zinc/26/53/58/301265358.db2.gz UIVGGVPLUGKEBW-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM O=C(NC1CCC2(CC2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436893532 303737575 /nfs/dbraw/zinc/73/75/75/303737575.db2.gz PRHXFXZKOCCBRZ-UHFFFAOYSA-N -1 0 290.319 2.753 20 5 CFBDRM CC[C@H]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162436858 322364966 /nfs/dbraw/zinc/36/49/66/322364966.db2.gz HNIBUJNRNOBULL-JTQLQIEISA-N -1 0 293.323 2.705 20 5 CFBDRM CC(C)=CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000569579750 322482376 /nfs/dbraw/zinc/48/23/76/322482376.db2.gz WBGUHHWQOLXIJI-UHFFFAOYSA-N -1 0 278.308 2.990 20 5 CFBDRM CC1(C)C[C@@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000574641425 322700283 /nfs/dbraw/zinc/70/02/83/322700283.db2.gz XOLICXOPVMJCEN-SNVBAGLBSA-N -1 0 278.308 2.680 20 5 CFBDRM Cc1cc(NCC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574813632 322706798 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C[C@]12CCCC[C@H]1CN2C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000600759849 350606579 /nfs/dbraw/zinc/60/65/79/350606579.db2.gz IEONCUHMGKNKOO-BONVTDFDSA-N -1 0 290.319 2.705 20 5 CFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC2(CC2)CC1 ZINC000600767737 350607792 /nfs/dbraw/zinc/60/77/92/350607792.db2.gz CMHLSUKGNUEXRS-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM CCC(C)(C)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000601743701 350770700 /nfs/dbraw/zinc/77/07/00/350770700.db2.gz DCTAWHFCXDXPBJ-UHFFFAOYSA-N -1 0 280.324 2.857 20 5 CFBDRM C[C@@H](CC1CCC1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000601870961 350795204 /nfs/dbraw/zinc/79/52/04/350795204.db2.gz QOUOGWAVTMNGBS-VIFPVBQESA-N -1 0 278.308 2.609 20 5 CFBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c(C(F)(F)F)cc1=O ZINC000601938069 350809500 /nfs/dbraw/zinc/80/95/00/350809500.db2.gz GNZDLQHMJLTWER-UHFFFAOYSA-N -1 0 287.197 2.558 20 5 CFBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)CC[C@H]2C ZINC000601939541 350810407 /nfs/dbraw/zinc/81/04/07/350810407.db2.gz LWXOKMOFTLOCPR-PSASIEDQSA-N -1 0 273.292 2.652 20 5 CFBDRM C[C@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cc3F)c(=O)c2C1 ZINC000601943482 350811713 /nfs/dbraw/zinc/81/17/13/350811713.db2.gz QRHAHMVVXFHYEF-WPRPVWTQSA-N -1 0 291.282 2.873 20 5 CFBDRM O=[N+]([O-])c1cccc(CN=c2[n-]c(-c3ccccc3)no2)c1 ZINC000608831046 351478840 /nfs/dbraw/zinc/47/88/40/351478840.db2.gz LDKNLYAANYOJRQ-UHFFFAOYSA-N -1 0 296.286 2.679 20 5 CFBDRM Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1O ZINC000610891457 351619014 /nfs/dbraw/zinc/61/90/14/351619014.db2.gz KSPJEEVSLXECSZ-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM CC[C@H](C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568751886 290568613 /nfs/dbraw/zinc/56/86/13/290568613.db2.gz NHPMEPNINKRDQN-ZETCQYMHSA-N -1 0 286.715 2.824 20 5 CFBDRM O=C([O-])C[C@@H]1CCCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000038027237 304075128 /nfs/dbraw/zinc/07/51/28/304075128.db2.gz YQBBXKLGNVTSQQ-JTQLQIEISA-N -1 0 282.271 2.568 20 5 CFBDRM O=C([O-])C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1F 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Cc1ccc([N+](=O)[O-])c([N-]c2ccn(CC(F)F)n2)n1 ZINC000128711701 377353310 /nfs/dbraw/zinc/35/33/10/377353310.db2.gz SLGWJPYILOXOSP-UHFFFAOYSA-N -1 0 283.238 2.503 20 5 CFBDRM CN(CC1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130458139 377561000 /nfs/dbraw/zinc/56/10/00/377561000.db2.gz RIYSICJGIJTTTB-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CC[C@]1(C)CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330597061 378590189 /nfs/dbraw/zinc/59/01/89/378590189.db2.gz AAOSPAOUTAULIO-OAHLLOKOSA-N -1 0 292.335 2.953 20 5 CFBDRM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000365331296 296292904 /nfs/dbraw/zinc/29/29/04/296292904.db2.gz NUTURWPRHSBWCD-SNVBAGLBSA-N -1 0 290.319 2.705 20 5 CFBDRM Cc1cccc(F)c1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000179868739 380590091 /nfs/dbraw/zinc/59/00/91/380590091.db2.gz FIUVEPPCAGJGJO-UHFFFAOYSA-N -1 0 264.212 2.888 20 5 CFBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])on1 ZINC000180787150 380699744 /nfs/dbraw/zinc/69/97/44/380699744.db2.gz ZQLUVSJALXLSCA-UHFFFAOYSA-N -1 0 297.654 2.503 20 5 CFBDRM Cn1cccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181536675 380819654 /nfs/dbraw/zinc/81/96/54/380819654.db2.gz PAVHQVBRXOVDKW-UHFFFAOYSA-N -1 0 295.682 2.545 20 5 CFBDRM CCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000341268362 380882238 /nfs/dbraw/zinc/88/22/38/380882238.db2.gz UDEYUWBCALCHHY-UHFFFAOYSA-N -1 0 286.287 2.967 20 5 CFBDRM O=C(NCC1=CCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000295893344 381139837 /nfs/dbraw/zinc/13/98/37/381139837.db2.gz WYQBFSGTTNQNFI-UHFFFAOYSA-N -1 0 276.292 2.531 20 5 CFBDRM Cc1cnc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c([O-])c1 ZINC000358905877 381147047 /nfs/dbraw/zinc/14/70/47/381147047.db2.gz PMCAJVWYMFGYGW-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184575855 381437000 /nfs/dbraw/zinc/43/70/00/381437000.db2.gz HCAJBBWHGLEYEE-SNVBAGLBSA-N -1 0 278.308 2.705 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000184821086 381483963 /nfs/dbraw/zinc/48/39/63/381483963.db2.gz GNNPALJNXPFMKP-GWCFXTLKSA-N -1 0 290.319 2.705 20 5 CFBDRM CCCC[C@@H](C)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000291217311 381711942 /nfs/dbraw/zinc/71/19/42/381711942.db2.gz KRLQBXMGSGCTRP-SNVBAGLBSA-N -1 0 280.324 2.951 20 5 CFBDRM O=C(NC1CCC2(CC2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355268009 381713328 /nfs/dbraw/zinc/71/33/28/381713328.db2.gz SMZVPDAXAJGEQK-UHFFFAOYSA-N -1 0 290.319 2.753 20 5 CFBDRM C[C@H]1CCC[C@H](C)C1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000298762010 381740410 /nfs/dbraw/zinc/74/04/10/381740410.db2.gz ZGGDRLQXQGJZHA-UWVGGRQHSA-N -1 0 292.335 2.855 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2CCCCC[C@H]21 ZINC000372246267 381780351 /nfs/dbraw/zinc/78/03/51/381780351.db2.gz BIGPZRGNKVJWST-GXFFZTMASA-N -1 0 290.319 2.705 20 5 CFBDRM CSCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186765194 382006773 /nfs/dbraw/zinc/00/67/73/382006773.db2.gz GJJSNOBVRMGBHQ-SECBINFHSA-N -1 0 298.364 2.514 20 5 CFBDRM CC1(C)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000187168502 382118308 /nfs/dbraw/zinc/11/83/08/382118308.db2.gz HCZVVMZTRJUKKQ-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)(F)F ZINC000293558560 382173065 /nfs/dbraw/zinc/17/30/65/382173065.db2.gz VBKKYMQXWJEZEY-ZCFIWIBFSA-N -1 0 274.223 2.530 20 5 CFBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C)n1 ZINC000187898586 382291131 /nfs/dbraw/zinc/29/11/31/382291131.db2.gz NJDKUNDGFAZRKJ-UHFFFAOYSA-N -1 0 287.275 2.565 20 5 CFBDRM Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1O ZINC000357672015 382272991 /nfs/dbraw/zinc/27/29/91/382272991.db2.gz JAQOTBUOXRZEKK-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM C[C@H]1Cc2ccccc2N1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000358078918 382442260 /nfs/dbraw/zinc/44/22/60/382442260.db2.gz FSORWFBWJQQLTG-JTQLQIEISA-N -1 0 298.298 2.892 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC2(CCC2)CC1 ZINC000308722221 382486139 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O=C(Nc1ccc(F)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236562984 527203794 /nfs/dbraw/zinc/20/37/94/527203794.db2.gz LWCWCJKCKRNIFF-UHFFFAOYSA-N -1 0 276.223 2.692 20 5 CFBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC(C)(C)C1 ZINC000413987139 529075525 /nfs/dbraw/zinc/07/55/25/529075525.db2.gz MXGATXZWVILDNY-UHFFFAOYSA-N -1 0 292.335 2.951 20 5 CFBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000179420882 529075901 /nfs/dbraw/zinc/07/59/01/529075901.db2.gz IFAJEXYCYXCJRB-UHFFFAOYSA-N -1 0 286.287 2.967 20 5 CFBDRM CCSCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158075377 529194644 /nfs/dbraw/zinc/19/46/44/529194644.db2.gz MTAHQDBGHCRREQ-VIFPVBQESA-N -1 0 298.364 2.562 20 5 CFBDRM C[C@H](CC(=O)[O-])SCc1c(F)cccc1[N+](=O)[O-] ZINC000736552222 574059399 /nfs/dbraw/zinc/05/93/99/574059399.db2.gz KVOKGRPFOFGZFT-SSDOTTSWSA-N -1 0 273.285 2.830 20 5 CFBDRM O=C([O-])N1CCCC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000740518739 574103575 /nfs/dbraw/zinc/10/35/75/574103575.db2.gz KSFXLSGKRZUHPX-MRVPVSSYSA-N -1 0 285.325 2.601 20 5 CFBDRM C[Si](C)(C)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738227564 574160324 /nfs/dbraw/zinc/16/03/24/574160324.db2.gz CKSRREIYHOIGNN-UHFFFAOYSA-N -1 0 269.329 2.549 20 5 CFBDRM C[Si](C)(C)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000738228330 574160888 /nfs/dbraw/zinc/16/08/88/574160888.db2.gz RQOGNLFAIVVPAT-UHFFFAOYSA-N -1 0 269.329 2.549 20 5 CFBDRM O=C([O-])Cc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000738630189 574177162 /nfs/dbraw/zinc/17/71/62/574177162.db2.gz BKRKBUZIJKDMHE-UHFFFAOYSA-N -1 0 286.287 2.834 20 5 CFBDRM C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739038486 574194274 /nfs/dbraw/zinc/19/42/74/574194274.db2.gz UHOMTPITAJZBAQ-MNOVXSKESA-N -1 0 293.323 2.785 20 5 CFBDRM O=C([O-])N1CC[C@H](CCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000740496476 574250984 /nfs/dbraw/zinc/25/09/84/574250984.db2.gz FFOQWEWXHASMRW-VIFPVBQESA-N -1 0 297.286 2.536 20 5 CFBDRM O=C([O-])NC[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000740625584 574259052 /nfs/dbraw/zinc/25/90/52/574259052.db2.gz LHEBVLPOHVWIFY-LDYMZIIASA-N -1 0 297.286 2.582 20 5 CFBDRM O=C([O-])NCc1cccc(Oc2cccnc2[N+](=O)[O-])c1 ZINC000740681566 574262073 /nfs/dbraw/zinc/26/20/73/574262073.db2.gz NNEUQWCHNIAYSD-UHFFFAOYSA-N -1 0 289.247 2.550 20 5 CFBDRM COCC[C@@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737753004 574342298 /nfs/dbraw/zinc/34/22/98/574342298.db2.gz ADOHNEOIHZTZRN-DFVUYQKZSA-N -1 0 294.307 2.530 20 5 CFBDRM C[C@@H](CC(=O)[O-])SCc1cccc([N+](=O)[O-])c1 ZINC000090097233 600588742 /nfs/dbraw/zinc/58/87/42/600588742.db2.gz WZWPOVYUUCUIJF-QMMMGPOBSA-N -1 0 255.295 2.691 20 5 CFBDRM C[C@H](CCO)Sc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827417559 600824223 /nfs/dbraw/zinc/82/42/23/600824223.db2.gz MUSBZFZLYULPDC-AZVKUDOFSA-N -1 0 297.332 2.556 20 5 CFBDRM O=C([O-])c1cc(OCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000020509287 600838217 /nfs/dbraw/zinc/83/82/17/600838217.db2.gz DOEIMTPKQGKHFX-UHFFFAOYSA-N -1 0 287.271 2.915 20 5 CFBDRM C[C@H](CC(=O)[O-])SCc1ccc([N+](=O)[O-])cc1F ZINC000310948340 601347288 /nfs/dbraw/zinc/34/72/88/601347288.db2.gz NCYUWZVCCPOUMV-SSDOTTSWSA-N -1 0 273.285 2.830 20 5 CFBDRM CC(C)(CNc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000164882909 601681317 /nfs/dbraw/zinc/68/13/17/601681317.db2.gz SAWSLSYYTXGVGQ-UHFFFAOYSA-N -1 0 289.291 2.666 20 5 CFBDRM CC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000137489702 601681345 /nfs/dbraw/zinc/68/13/45/601681345.db2.gz YVMDSXAPTIHUFR-UHFFFAOYSA-N -1 0 272.688 2.771 20 5 CFBDRM Cc1nc(Oc2cccc(CC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000124236622 602129402 /nfs/dbraw/zinc/12/94/02/602129402.db2.gz YDFQDLJSGMIGDA-UHFFFAOYSA-N -1 0 288.259 2.718 20 5 CFBDRM O=C([O-])C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000165371207 604459879 /nfs/dbraw/zinc/45/98/79/604459879.db2.gz XPSZLWBAZVMNPV-UHFFFAOYSA-N -1 0 299.714 2.700 20 5 CFBDRM Cc1cnc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000833754184 604860148 /nfs/dbraw/zinc/86/01/48/604860148.db2.gz 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618867137 /nfs/dbraw/zinc/86/71/37/618867137.db2.gz MNMCIMCKFWKEDO-MRVPVSSYSA-N -1 0 270.260 2.565 20 5 CFBDRM O=C([O-])/C=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006225471 619125273 /nfs/dbraw/zinc/12/52/73/619125273.db2.gz OGFLVOQOCHNPDE-VURMDHGXSA-N -1 0 259.217 2.953 20 5 CFBDRM Cc1cc(NCCC(=O)[O-])c([N+](=O)[O-])cc1C(F)(F)F ZINC000263483673 620150159 /nfs/dbraw/zinc/15/01/59/620150159.db2.gz GVPDCVJQYZSBFR-UHFFFAOYSA-N -1 0 292.213 2.809 20 5 CFBDRM Cc1cc(N[C@@H]2CCS[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910387056 622439802 /nfs/dbraw/zinc/43/98/02/622439802.db2.gz WSUGFCAGVMHUMF-GZMMTYOYSA-N -1 0 296.348 2.907 20 5 CFBDRM Cc1cc(N[C@H]2CCS[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910387058 622439812 /nfs/dbraw/zinc/43/98/12/622439812.db2.gz WSUGFCAGVMHUMF-KWQFWETISA-N -1 0 296.348 2.907 20 5 CFBDRM O=C1Oc2ccccc2/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000061190213 623189760 /nfs/dbraw/zinc/18/97/60/623189760.db2.gz WONKWHWVBVXVJI-XFFZJAGNSA-N -1 0 283.239 2.760 20 5 CFBDRM CSc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000916859917 624288357 /nfs/dbraw/zinc/28/83/57/624288357.db2.gz IVTYZCQVDMGKOW-UHFFFAOYSA-N -1 0 278.289 2.864 20 5 CFBDRM C[C@@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@@H]1C ZINC000770993610 625961871 /nfs/dbraw/zinc/96/18/71/625961871.db2.gz HDXCOXMCLYKNHA-KXUCPTDWSA-N -1 0 266.297 2.904 20 5 CFBDRM CC(C)(C)SCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772765251 627742918 /nfs/dbraw/zinc/74/29/18/627742918.db2.gz VLKKNOTVLSQULI-UHFFFAOYSA-N -1 0 298.364 2.562 20 5 CFBDRM Cc1ccsc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000778330440 628297707 /nfs/dbraw/zinc/29/77/07/628297707.db2.gz HQJSIKISYHRQCA-UHFFFAOYSA-N -1 0 266.278 2.650 20 5 CFBDRM O=C(OCC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000797108969 630019425 /nfs/dbraw/zinc/01/94/25/630019425.db2.gz AUDGCBWULBRRAJ-UHFFFAOYSA-N -1 0 264.281 2.516 20 5 CFBDRM O=C(OCC12CCC(CC1)C2)c1ccc([N+](=O)[O-])[n-]1 ZINC000800459289 630387981 /nfs/dbraw/zinc/38/79/81/630387981.db2.gz BALVLPRQOGGIFN-UHFFFAOYSA-N -1 0 264.281 2.660 20 5 CFBDRM Cc1cc(O)ccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000802824788 630552848 /nfs/dbraw/zinc/55/28/48/630552848.db2.gz FHCIQQHIWNIBND-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(F)cn1 ZINC000803049859 630581527 /nfs/dbraw/zinc/58/15/27/630581527.db2.gz XAPCTAUFANLXRI-LLVKDONJSA-N -1 0 293.254 2.765 20 5 CFBDRM CC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCCC1 ZINC000837365508 631014361 /nfs/dbraw/zinc/01/43/61/631014361.db2.gz QUSQGMOUOGKIFG-UHFFFAOYSA-N -1 0 279.292 2.924 20 5 CFBDRM CSCCCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837535501 631059042 /nfs/dbraw/zinc/05/90/42/631059042.db2.gz YKJSKQKLJZEFMF-UHFFFAOYSA-N -1 0 299.348 2.877 20 5 CFBDRM Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000016478769 631475667 /nfs/dbraw/zinc/47/56/67/631475667.db2.gz RTSCKYYVHSLKSB-UHFFFAOYSA-N -1 0 294.307 2.733 20 5 CFBDRM CC[C@]1(C)CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844211908 632135205 /nfs/dbraw/zinc/13/52/05/632135205.db2.gz KOUTWVQRXVIWPC-OAHLLOKOSA-N -1 0 292.335 2.848 20 5 CFBDRM C[C@@H]1CC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844211309 632135481 /nfs/dbraw/zinc/13/54/81/632135481.db2.gz YNRXNHULSREQBO-KOLCDFICSA-N -1 0 278.308 2.822 20 5 CFBDRM CC(F)(F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000815943836 632338033 /nfs/dbraw/zinc/33/80/33/632338033.db2.gz FGPMOVJCNAJQLW-UHFFFAOYSA-N -1 0 280.614 2.548 20 5 CFBDRM CC[C@@H](C)CO[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000816976177 632541384 /nfs/dbraw/zinc/54/13/84/632541384.db2.gz XUVKQKQNIDKHAJ-LLVKDONJSA-N -1 0 294.351 2.966 20 5 CFBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817198707 632569500 /nfs/dbraw/zinc/56/95/00/632569500.db2.gz NPLQWCRZXIAMHJ-AXFHLTTASA-N -1 0 291.303 2.780 20 5 CFBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C1CCCC1 ZINC000847801514 633079473 /nfs/dbraw/zinc/07/94/73/633079473.db2.gz OUEHXRUSHOBZSB-MRVPVSSYSA-N -1 0 252.270 2.658 20 5 CFBDRM Cc1cc(N[C@H]2C=CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000849347752 633625204 /nfs/dbraw/zinc/62/52/04/633625204.db2.gz FQSJZWDWDPUMCE-VIFPVBQESA-N -1 0 262.265 2.732 20 5 CFBDRM C[C@H](Cc1ccsc1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000851145331 634247519 /nfs/dbraw/zinc/24/75/19/634247519.db2.gz NRBWAYHKXMUUDG-MRVPVSSYSA-N -1 0 280.305 2.772 20 5 CFBDRM CCOc1cc(N[C@H]2CC=C(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000863478964 637673270 /nfs/dbraw/zinc/67/32/70/637673270.db2.gz UGOQOYVPULKACA-JTQLQIEISA-N -1 0 292.291 2.579 20 5 CFBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000871867403 641490627 /nfs/dbraw/zinc/49/06/27/641490627.db2.gz CRRIYHGKTGBAAM-DZGCQCFKSA-N -1 0 290.319 2.737 20 5 CFBDRM O=C1Oc2ccccc2/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000129533083 645253409 /nfs/dbraw/zinc/25/34/09/645253409.db2.gz NFVWWURVRMJKSY-XFFZJAGNSA-N -1 0 283.239 2.760 20 5 CFBDRM Nc1cc(F)cc(F)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210401783 770279349 /nfs/dbraw/zinc/27/93/49/770279349.db2.gz ZVLBNZWMSJKILQ-UHFFFAOYSA-N -1 0 281.218 2.904 20 5 CFBDRM O=C([O-])[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000693394217 770583047 /nfs/dbraw/zinc/58/30/47/770583047.db2.gz PHZPTMMIMTZAOO-KNVOCYPGSA-N -1 0 270.672 2.523 20 5 CFBDRM O=C([O-])[C@H](CNc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000405268458 775200122 /nfs/dbraw/zinc/20/01/22/775200122.db2.gz NFTKIOIWWWIXHQ-JTQLQIEISA-N -1 0 264.281 2.508 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1O[C@H]1CCc2cccnc21 ZINC001225490532 775479006 /nfs/dbraw/zinc/47/90/06/775479006.db2.gz IYKBVSOHPBQBQW-LBPRGKRZSA-N -1 0 272.260 2.762 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1O[C@@H]1CCc2cccnc21 ZINC001225490531 775479225 /nfs/dbraw/zinc/47/92/25/775479225.db2.gz IYKBVSOHPBQBQW-GFCCVEGCSA-N -1 0 272.260 2.762 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1O[C@@H]1CCCC[C@H]1F ZINC001225492621 775480651 /nfs/dbraw/zinc/48/06/51/775480651.db2.gz YGCHMEZENZFRFK-MWLCHTKSSA-N -1 0 255.245 2.960 20 5 CFBDRM CCCCOC[C@H](C)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225619748 775527007 /nfs/dbraw/zinc/52/70/07/775527007.db2.gz IGTDFECKMWJQMH-JTQLQIEISA-N -1 0 269.297 2.884 20 5 CFBDRM C[C@H]1C[C@@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])CC(C)(C)C1 ZINC001226331496 775782124 /nfs/dbraw/zinc/78/21/24/775782124.db2.gz LAWLYHNZVQWXDQ-DTWKUNHWSA-N -1 0 281.312 2.684 20 5 CFBDRM C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001226331924 775782263 /nfs/dbraw/zinc/78/22/63/775782263.db2.gz QKWBCPWGZCPNMO-ZETCQYMHSA-N -1 0 295.682 2.884 20 5 CFBDRM CCCC/C=C/[C@@H](C)Oc1[n-]c(=O)ncc1[N+](=O)[O-] ZINC001226336138 775784281 /nfs/dbraw/zinc/78/42/81/775784281.db2.gz NKPLLHWZURVRCX-XCODYQFDSA-N -1 0 267.285 2.604 20 5 CFBDRM O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2C=CCCC2)[n-]1 ZINC001227096008 776092613 /nfs/dbraw/zinc/09/26/13/776092613.db2.gz MUEHUWNDIOQDDP-SNVBAGLBSA-N -1 0 287.275 2.731 20 5 CFBDRM C[C@@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1[N+](=O)[O-] ZINC001228388883 776478403 /nfs/dbraw/zinc/47/84/03/776478403.db2.gz XQZDVLVTSWCRBW-SSDOTTSWSA-N -1 0 295.682 2.884 20 5 CFBDRM CC[C@H](C)[C@@H](C)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228972181 776674313 /nfs/dbraw/zinc/67/43/13/776674313.db2.gz TZVZNCCNVKSVJR-JGVFFNPUSA-N -1 0 255.270 2.819 20 5 CFBDRM CC[C@H](C[C@@H](C)CC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229380764 776795075 /nfs/dbraw/zinc/79/50/75/776795075.db2.gz KYLVVFAKPFMHGY-WCBMZHEXSA-N -1 0 283.328 2.992 20 5 CFBDRM CCC[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001229382869 776796299 /nfs/dbraw/zinc/79/62/99/776796299.db2.gz XCUWIGCXUPSCDG-VIFPVBQESA-N -1 0 269.301 2.602 20 5 CFBDRM CC[C@H]1CCCC[C@H]1Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229382639 776797108 /nfs/dbraw/zinc/79/71/08/776797108.db2.gz WGIUARRIWXOFBF-VHSXEESVSA-N -1 0 281.312 2.746 20 5 CFBDRM Cc1cc([S-])ccc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001229634055 776861737 /nfs/dbraw/zinc/86/17/37/776861737.db2.gz DMPRUAUDYXXDHG-LBPRGKRZSA-N -1 0 253.323 2.718 20 5 CFBDRM C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccncc1 ZINC001225619903 777094236 /nfs/dbraw/zinc/09/42/36/777094236.db2.gz KHQPKUUCNWYCKW-VIFPVBQESA-N -1 0 260.249 2.835 20 5 CFBDRM C[C@@H]1CCCC[C@H]1Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231071643 777131263 /nfs/dbraw/zinc/13/12/63/777131263.db2.gz KBYWFEUXSNUISS-RNFRBKRXSA-N -1 0 287.703 2.701 20 5 CFBDRM C[C@H]1CC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])CC1 ZINC001231073157 777133295 /nfs/dbraw/zinc/13/32/95/777133295.db2.gz YHBOOTDODVJCMW-LJGSYFOKSA-N -1 0 287.703 2.701 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCCC[C@@H]2C)[n-]1 ZINC001231258648 777178528 /nfs/dbraw/zinc/17/85/28/777178528.db2.gz BNVGPYOQVIFELU-GZMMTYOYSA-N -1 0 266.297 2.961 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H]2CCC[C@@H]2C)[n-]1 ZINC001231258591 777178987 /nfs/dbraw/zinc/17/89/87/777178987.db2.gz ADOZGMLXSJUCLL-OIBJUYFYSA-N -1 0 252.270 2.571 20 5 CFBDRM CCCCOC[C@H](C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231261271 777180452 /nfs/dbraw/zinc/18/04/52/777180452.db2.gz ZVXUQGOLQWSITE-JTQLQIEISA-N -1 0 284.312 2.588 20 5 CFBDRM Cc1cc(=O)c([N+](=O)[O-])c(O[C@H](C)c2ccco2)[n-]1 ZINC001231265157 777181619 /nfs/dbraw/zinc/18/16/19/777181619.db2.gz ZHUSARGTGZBOFD-MRVPVSSYSA-N -1 0 264.237 2.737 20 5 CFBDRM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cccc([S-])c1 ZINC001226014873 777380729 /nfs/dbraw/zinc/38/07/29/777380729.db2.gz BHXCWSMMJSNOAG-VIFPVBQESA-N -1 0 293.348 2.856 20 5 CFBDRM CC[C@H](C)[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000262071057 777475134 /nfs/dbraw/zinc/47/51/34/777475134.db2.gz CHVHXSZLSUIUTF-KWQFWETISA-N -1 0 252.270 2.506 20 5 CFBDRM CC(C)[C@H]1CC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])CC1 ZINC001226337563 777511620 /nfs/dbraw/zinc/51/16/20/777511620.db2.gz YXGQROXUXKZNOJ-MGCOHNPYSA-N -1 0 281.312 2.684 20 5 CFBDRM CCCC/C=C/[C@@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229380786 778300275 /nfs/dbraw/zinc/30/02/75/778300275.db2.gz LHYDXPWXIAEOGR-FCZSHJHJSA-N -1 0 281.312 2.913 20 5 CFBDRM O=C([O-])C1CC(Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000703467159 781015971 /nfs/dbraw/zinc/01/59/71/781015971.db2.gz PHZPTMMIMTZAOO-UHFFFAOYSA-N -1 0 270.672 2.523 20 5 CFBDRM C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594541385 349444463 /nfs/dbraw/zinc/44/44/63/349444463.db2.gz SMICCCYWMJQASO-GJMOJQLCSA-N -1 0 299.352 2.599 20 5 CFBDRM Cc1cccc([N+](=O)[O-])c1NC[C@@H](CC(=O)[O-])C1CC1 ZINC000594735317 349483968 /nfs/dbraw/zinc/48/39/68/349483968.db2.gz LGNAGEOVKXQNEN-LLVKDONJSA-N -1 0 278.308 2.816 20 5 CFBDRM C[C@@H]1C[C@@H](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000153360200 297221072 /nfs/dbraw/zinc/22/10/72/297221072.db2.gz XWGYBENIMKDRSW-VHSXEESVSA-N -1 0 278.308 2.561 20 5 CFBDRM O=[N+]([O-])c1cc(-c2nc3cc(F)ccc3[nH]2)ccc1[O-] ZINC000069835914 346901903 /nfs/dbraw/zinc/90/19/03/346901903.db2.gz RZRGGMHKNBYZTM-UHFFFAOYSA-N -1 0 273.223 2.983 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000595976931 349773602 /nfs/dbraw/zinc/77/36/02/349773602.db2.gz DGQHHGLUNVMOPG-LLVKDONJSA-N -1 0 278.308 2.816 20 5 CFBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000595976867 349773709 /nfs/dbraw/zinc/77/37/09/349773709.db2.gz BYRWYNMKGRAVOC-MRVPVSSYSA-N -1 0 270.310 2.569 20 5 CFBDRM O=C([O-])[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000595978597 349774746 /nfs/dbraw/zinc/77/47/46/349774746.db2.gz ZQFZJAZSVYGXRB-SECBINFHSA-N -1 0 299.714 2.556 20 5 CFBDRM Cc1cc(N2CC3CC2(C)C3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000596025347 349778011 /nfs/dbraw/zinc/77/80/11/349778011.db2.gz DVIOVJSIHNMBDF-UHFFFAOYSA-N -1 0 276.292 2.590 20 5 CFBDRM C[C@H](c1ccco1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000162702804 232255255 /nfs/dbraw/zinc/25/52/55/232255255.db2.gz NCLKQMCXNQNJRA-SECBINFHSA-N -1 0 290.275 2.727 20 5 CFBDRM O=C(Nc1ccccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000161593993 232252225 /nfs/dbraw/zinc/25/22/25/232252225.db2.gz YMUZLZGSTGMPCW-UHFFFAOYSA-N -1 0 276.223 2.692 20 5 CFBDRM CCC[C@@H](C)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273272082 192095610 /nfs/dbraw/zinc/09/56/10/192095610.db2.gz GTZUCQNTNUIQCM-SECBINFHSA-N -1 0 266.297 2.561 20 5 CFBDRM O=C(Nc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179384348 232397124 /nfs/dbraw/zinc/39/71/24/232397124.db2.gz BTWUMZGEPVULFG-UHFFFAOYSA-N -1 0 294.213 2.831 20 5 CFBDRM C[C@@H](N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C ZINC000031408401 346293919 /nfs/dbraw/zinc/29/39/19/346293919.db2.gz QWZGUYGBVPAKCK-SECBINFHSA-N -1 0 280.324 2.807 20 5 CFBDRM CCO[C@@H](CC)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000596622041 349959336 /nfs/dbraw/zinc/95/93/36/349959336.db2.gz UADUZTFGKQHANL-NSHDSACASA-N -1 0 293.279 2.838 20 5 CFBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)S1 ZINC000078653314 347267172 /nfs/dbraw/zinc/26/71/72/347267172.db2.gz DUHGLBPAUJKLAQ-DTORHVGOSA-N -1 0 296.348 2.623 20 5 CFBDRM Cc1ccc(NC2(CC(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC000094291323 347694772 /nfs/dbraw/zinc/69/47/72/347694772.db2.gz ZPIPDVXGYBDTFL-UHFFFAOYSA-N -1 0 264.281 2.713 20 5 CFBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000094659092 347695955 /nfs/dbraw/zinc/69/59/55/347695955.db2.gz BDICCUBTDWQDAS-AWEZNQCLSA-N -1 0 278.308 2.594 20 5 CFBDRM Cc1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000097066908 347705925 /nfs/dbraw/zinc/70/59/25/347705925.db2.gz UWLRTTZKVMATSH-ZJUUUORDSA-N -1 0 264.281 2.568 20 5 CFBDRM Cc1nc(NC[C@H](CC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC000123480481 347819596 /nfs/dbraw/zinc/81/95/96/347819596.db2.gz OYRMDSGZTSSMMB-NSHDSACASA-N -1 0 295.339 2.847 20 5 CFBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CCC1 ZINC000159401553 348012457 /nfs/dbraw/zinc/01/24/57/348012457.db2.gz JJAMFAXFDKLUKO-QMMMGPOBSA-N -1 0 264.281 2.894 20 5 CFBDRM CC[C@@H](C)N(CC)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000233852501 348218456 /nfs/dbraw/zinc/21/84/56/348218456.db2.gz TZFVHPCSZFBUCP-SECBINFHSA-N -1 0 266.297 2.561 20 5 CFBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccsc1 ZINC000235192234 348225355 /nfs/dbraw/zinc/22/53/55/348225355.db2.gz PSCPYWOTNRQEOL-MRVPVSSYSA-N -1 0 292.316 2.853 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(C2CC2)CC1 ZINC000590052727 348871434 /nfs/dbraw/zinc/87/14/34/348871434.db2.gz IJUPLGBVERGXDZ-UHFFFAOYSA-N -1 0 276.336 2.922 20 5 CFBDRM Cc1cc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000592421094 349118791 /nfs/dbraw/zinc/11/87/91/349118791.db2.gz MQCLMLQCKPHWMY-WCBMZHEXSA-N -1 0 296.298 2.589 20 5 CFBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000592973991 349179376 /nfs/dbraw/zinc/17/93/76/349179376.db2.gz UHKKHZDRINDISR-VIFPVBQESA-N -1 0 293.323 2.560 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000592980134 349180128 /nfs/dbraw/zinc/18/01/28/349180128.db2.gz HTYQBJZDAAVWPA-YWVKMMECSA-N -1 0 291.307 2.597 20 5 CFBDRM C[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C(=O)[O-] ZINC000592980876 349180276 /nfs/dbraw/zinc/18/02/76/349180276.db2.gz ANUQMDAFQJTKNK-SECBINFHSA-N -1 0 296.323 2.905 20 5 CFBDRM C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000592744403 349163696 /nfs/dbraw/zinc/16/36/96/349163696.db2.gz YQSPRYAEHQYYIF-MRVPVSSYSA-N -1 0 298.726 2.826 20 5 CFBDRM COCC[C@@H](C)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593189511 349226093 /nfs/dbraw/zinc/22/60/93/349226093.db2.gz RRGZVVXYTMRHMZ-SECBINFHSA-N -1 0 271.338 2.959 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1CSC[C@@H]1CCCOC1 ZINC000593191262 349226390 /nfs/dbraw/zinc/22/63/90/349226390.db2.gz WXBHOOKJAYCHRU-SNVBAGLBSA-N -1 0 283.349 2.960 20 5 CFBDRM CC[C@H]1COC(C)(C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593058438 349196897 /nfs/dbraw/zinc/19/68/97/349196897.db2.gz MAGRQUKGXCNISJ-LBPRGKRZSA-N -1 0 294.351 2.690 20 5 CFBDRM CC(C)[C@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000593324816 349247297 /nfs/dbraw/zinc/24/72/97/349247297.db2.gz NZNGJKPYHFMTHB-ZDUSSCGKSA-N -1 0 289.291 2.664 20 5 CFBDRM CC(C)(C)C[C@@H]1C[C@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593755498 349320952 /nfs/dbraw/zinc/32/09/52/349320952.db2.gz LOHHBQCPAFEAJA-WCBMZHEXSA-N -1 0 293.323 2.925 20 5 CFBDRM C[C@@H]1CCC(C)(C)N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597752969 350132260 /nfs/dbraw/zinc/13/22/60/350132260.db2.gz KICFAXKHNOCSIW-SECBINFHSA-N -1 0 278.308 2.704 20 5 CFBDRM C[C@@H]1CCC(C)(C)N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597753854 350132306 /nfs/dbraw/zinc/13/23/06/350132306.db2.gz WNRWEXABEQTDJB-SECBINFHSA-N -1 0 278.308 2.704 20 5 CFBDRM CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000598251455 350225378 /nfs/dbraw/zinc/22/53/78/350225378.db2.gz SFDBZVGMFHHIIL-CQSZACIVSA-N -1 0 278.308 2.609 20 5 CFBDRM CC[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000598249211 350224468 /nfs/dbraw/zinc/22/44/68/350224468.db2.gz GJIAMJJLPJCVOV-CQSZACIVSA-N -1 0 278.308 2.609 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[C@H]2CC2(F)F)c1 ZINC000598733853 350322439 /nfs/dbraw/zinc/32/24/39/350322439.db2.gz ADGIYPYHNUAWRC-QMMMGPOBSA-N -1 0 286.234 2.750 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCC12CC2 ZINC000599714419 350487607 /nfs/dbraw/zinc/48/76/07/350487607.db2.gz VNLNIOABDDVAQP-SNVBAGLBSA-N -1 0 276.292 2.819 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000600678085 350595755 /nfs/dbraw/zinc/59/57/55/350595755.db2.gz KVGAQAFURWBVTK-OPRDCNLKSA-N -1 0 291.307 2.597 20 5 CFBDRM O=C(NC[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600807081 350615661 /nfs/dbraw/zinc/61/56/61/350615661.db2.gz XTFWUVNZPUWVRX-NSHDSACASA-N -1 0 290.319 2.611 20 5 CFBDRM CCCC[C@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000291179428 197944254 /nfs/dbraw/zinc/94/42/54/197944254.db2.gz HZWKLNJMVMBZJJ-JTQLQIEISA-N -1 0 280.324 2.951 20 5 CFBDRM C[C@@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C1 ZINC000601935835 350808876 /nfs/dbraw/zinc/80/88/76/350808876.db2.gz ZRXVNFMXYCGILK-SKDRFNHKSA-N -1 0 273.292 2.734 20 5 CFBDRM O=c1cc(C2CC2)[n-]n1-c1ccc([N+](=O)[O-])cc1Cl ZINC000601937943 350809410 /nfs/dbraw/zinc/80/94/10/350809410.db2.gz CLHQJDGRCWZVOC-UHFFFAOYSA-N -1 0 279.683 2.751 20 5 CFBDRM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2Cl)c(=O)c1C ZINC000601938744 350810493 /nfs/dbraw/zinc/81/04/93/350810493.db2.gz IXPJCWBUHWSZGT-ZCFIWIBFSA-N -1 0 267.672 2.607 20 5 CFBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000119341946 186820627 /nfs/dbraw/zinc/82/06/27/186820627.db2.gz XDSREIGCGUDPJO-QWRGUYRKSA-N -1 0 292.335 2.809 20 5 CFBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccsc1 ZINC000619777583 353066040 /nfs/dbraw/zinc/06/60/40/353066040.db2.gz LMFKMCDSYSDCCS-MRVPVSSYSA-N -1 0 292.316 2.853 20 5 CFBDRM CC1CCC(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160110975 188456202 /nfs/dbraw/zinc/45/62/02/188456202.db2.gz AABDAIDFBLCGFS-UHFFFAOYSA-N -1 0 292.335 2.857 20 5 CFBDRM O=C(N[C@H]1CCc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427909864 540964479 /nfs/dbraw/zinc/96/44/79/540964479.db2.gz VJJRLGTXIINCTC-HNNXBMFYSA-N -1 0 298.298 2.718 20 5 CFBDRM CN(CC1CCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184965729 189399706 /nfs/dbraw/zinc/39/97/06/189399706.db2.gz KMLPSZNZULFJLV-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM C[C@H]1Cc2ccccc2N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432565817 240020804 /nfs/dbraw/zinc/02/08/04/240020804.db2.gz CAPQTORLQBBCRT-JTQLQIEISA-N -1 0 298.298 2.892 20 5 CFBDRM O=C(CC1CC(F)(F)C1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000450394525 242394915 /nfs/dbraw/zinc/39/49/15/242394915.db2.gz TZWMIRFFHMDFKO-UHFFFAOYSA-N -1 0 286.234 2.674 20 5 CFBDRM CC[C@H]1CCC[C@H]1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000452990886 243356874 /nfs/dbraw/zinc/35/68/74/243356874.db2.gz ATSVVSANCNYHRZ-QWRGUYRKSA-N -1 0 292.335 2.857 20 5 CFBDRM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000452990883 243357043 /nfs/dbraw/zinc/35/70/43/243357043.db2.gz ATSVVSANCNYHRZ-GHMZBOCLSA-N -1 0 292.335 2.857 20 5 CFBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000017323788 372133085 /nfs/dbraw/zinc/13/30/85/372133085.db2.gz GXSMRBYYEMVLFA-SNVBAGLBSA-N -1 0 286.287 2.791 20 5 CFBDRM CCCN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CC1 ZINC000037097635 372649075 /nfs/dbraw/zinc/64/90/75/372649075.db2.gz GHCHNHDYUDTFJS-UHFFFAOYSA-N -1 0 264.281 2.672 20 5 CFBDRM O=C([O-])[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124690944 304184027 /nfs/dbraw/zinc/18/40/27/304184027.db2.gz NVBNGLNUEWJYAD-QMMMGPOBSA-N -1 0 284.699 2.549 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2C)n1 ZINC000571526599 383702611 /nfs/dbraw/zinc/70/26/11/383702611.db2.gz WEWYBCMEOQKNGI-XVKPBYJWSA-N -1 0 279.296 2.597 20 5 CFBDRM CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000092546216 375121392 /nfs/dbraw/zinc/12/13/92/375121392.db2.gz GUQFCTDQQLWVCQ-UHFFFAOYSA-N -1 0 264.281 2.819 20 5 CFBDRM CC[C@@]1(C)CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119088501 376351883 /nfs/dbraw/zinc/35/18/83/376351883.db2.gz CZMNBEREKXZARU-HNNXBMFYSA-N -1 0 292.335 2.953 20 5 CFBDRM C/C(=C/c1cc([O-])ccc1[N+](=O)[O-])c1cnccn1 ZINC000126545377 377235044 /nfs/dbraw/zinc/23/50/44/377235044.db2.gz QSAKVUNKCIVFFI-TWGQIWQCSA-N -1 0 257.249 2.651 20 5 CFBDRM CC(C)C[C@@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160184062 378753642 /nfs/dbraw/zinc/75/36/42/378753642.db2.gz LUCMGHPXGYSKPI-LBPRGKRZSA-N -1 0 292.335 2.951 20 5 CFBDRM CSC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000332416804 378760490 /nfs/dbraw/zinc/76/04/90/378760490.db2.gz CICPQEQIQJVPDX-UHFFFAOYSA-N -1 0 282.321 2.525 20 5 CFBDRM CCCCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164092979 379005602 /nfs/dbraw/zinc/00/56/02/379005602.db2.gz PTSPCSBZVOQELE-UHFFFAOYSA-N -1 0 266.297 2.611 20 5 CFBDRM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC000163987976 379000458 /nfs/dbraw/zinc/00/04/58/379000458.db2.gz FQNCFRFXNAWWHW-CKYFFXLPSA-N -1 0 292.335 2.855 20 5 CFBDRM CC1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC000164583557 379019441 /nfs/dbraw/zinc/01/94/41/379019441.db2.gz VAJUEQRXCFJKFK-UHFFFAOYSA-N -1 0 278.308 2.611 20 5 CFBDRM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000370632941 296292888 /nfs/dbraw/zinc/29/28/88/296292888.db2.gz BTAJIJJFCCWRGT-SNVBAGLBSA-N -1 0 290.319 2.705 20 5 CFBDRM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376022357 296292660 /nfs/dbraw/zinc/29/26/60/296292660.db2.gz CSMRLQDCFJVKHP-SNVBAGLBSA-N -1 0 290.319 2.705 20 5 CFBDRM Cc1cc(NCCC(C)(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000336810821 380670496 /nfs/dbraw/zinc/67/04/96/380670496.db2.gz JOXSJGMPVNCAPG-UHFFFAOYSA-N -1 0 266.297 2.816 20 5 CFBDRM CC(C)O[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000295507381 380901950 /nfs/dbraw/zinc/90/19/50/380901950.db2.gz HCYLFABBEDXUHB-VIFPVBQESA-N -1 0 284.337 2.532 20 5 CFBDRM CC1(C)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182010974 380964612 /nfs/dbraw/zinc/96/46/12/380964612.db2.gz YKCJFYLBXIPWOG-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183346662 381257950 /nfs/dbraw/zinc/25/79/50/381257950.db2.gz JQCFQCLGFAGHBI-SNVBAGLBSA-N -1 0 298.298 2.892 20 5 CFBDRM O=C(Cc1ccc(F)cc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183904785 381337609 /nfs/dbraw/zinc/33/76/09/381337609.db2.gz HLLGDZVLCGROHM-UHFFFAOYSA-N -1 0 290.250 2.621 20 5 CFBDRM C[C@H]1CC(C)(C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000412765296 381431895 /nfs/dbraw/zinc/43/18/95/381431895.db2.gz AOPQMPSOSZNJCK-VIFPVBQESA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@H](C)n1nc([N-]c2nc(C)ccc2[N+](=O)[O-])cc1C ZINC000342777887 381533160 /nfs/dbraw/zinc/53/31/60/381533160.db2.gz BOWYPZGQFJBCDF-JTQLQIEISA-N -1 0 289.339 2.940 20 5 CFBDRM CN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185414733 381626237 /nfs/dbraw/zinc/62/62/37/381626237.db2.gz DCMFHZLKKYDHSL-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM Cc1cc([N-]c2ncccc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000343600240 381830426 /nfs/dbraw/zinc/83/04/26/381830426.db2.gz JSMNCEWCODTCKF-JTQLQIEISA-N -1 0 287.323 2.631 20 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/nfs/dbraw/zinc/52/69/33/382526933.db2.gz POEFYISXYBDDTJ-SRHKJQAYSA-N -1 0 290.319 2.609 20 5 CFBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCS1 ZINC000379461329 382505752 /nfs/dbraw/zinc/50/57/52/382505752.db2.gz ZNYLTRXKCXWFEG-VIFPVBQESA-N -1 0 296.348 2.625 20 5 CFBDRM C/C(=C\c1cc([O-])ccc1[N+](=O)[O-])c1cnccn1 ZINC000358212448 382508458 /nfs/dbraw/zinc/50/84/58/382508458.db2.gz QSAKVUNKCIVFFI-RMKNXTFCSA-N -1 0 257.249 2.651 20 5 CFBDRM CC/C=C\CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000384895851 382561217 /nfs/dbraw/zinc/56/12/17/382561217.db2.gz VFNMSECJLNFRQD-ARJAWSKDSA-N -1 0 250.254 2.671 20 5 CFBDRM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194406865 382743230 /nfs/dbraw/zinc/74/32/30/382743230.db2.gz MXFUHXCJNDCREV-JQWIXIFHSA-N -1 0 292.335 2.857 20 5 CFBDRM CCCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000220982693 382796588 /nfs/dbraw/zinc/79/65/88/382796588.db2.gz HKWKZPWGWMVCHV-UHFFFAOYSA-N -1 0 278.308 2.705 20 5 CFBDRM C[C@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000235702401 382886016 /nfs/dbraw/zinc/88/60/16/382886016.db2.gz XWIZCPXZSRWQGV-QWRGUYRKSA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000235688744 382886139 /nfs/dbraw/zinc/88/61/39/382886139.db2.gz XWIZCPXZSRWQGV-WDEREUQCSA-N -1 0 292.335 2.999 20 5 CFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000236617137 382898391 /nfs/dbraw/zinc/89/83/91/382898391.db2.gz BHRLMAONUGTFNO-UHFFFAOYSA-N -1 0 284.271 2.503 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421802652 382928604 /nfs/dbraw/zinc/92/86/04/382928604.db2.gz OHROYKJZCCHUPJ-OPRDCNLKSA-N -1 0 276.292 2.675 20 5 CFBDRM CC[C@H](CC(F)F)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000457716473 383080614 /nfs/dbraw/zinc/08/06/14/383080614.db2.gz SSHYPIYLGXDYTF-SSDOTTSWSA-N -1 0 288.250 2.920 20 5 CFBDRM Cc1cccc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000339038499 383129281 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O=C([O-])Cc1ccc(N[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000570048110 383566353 /nfs/dbraw/zinc/56/63/53/383566353.db2.gz HWXYQQSAGFNXIB-LLVKDONJSA-N -1 0 276.292 2.743 20 5 CFBDRM CC(C)(CCC(=O)[O-])Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000263418683 383664111 /nfs/dbraw/zinc/66/41/11/383664111.db2.gz OQVFFGNKNHTKJA-UHFFFAOYSA-N -1 0 292.295 2.526 20 5 CFBDRM C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436674235 296356669 /nfs/dbraw/zinc/35/66/69/296356669.db2.gz UREBCPOUMHMEMO-BXKDBHETSA-N -1 0 278.308 2.609 20 5 CFBDRM O=C(N[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436869353 383897338 /nfs/dbraw/zinc/89/73/38/383897338.db2.gz KYJIJLPJDFKWHZ-CQSZACIVSA-N -1 0 298.298 2.718 20 5 CFBDRM C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457271481 296360529 /nfs/dbraw/zinc/36/05/29/296360529.db2.gz TXVOQADWHOSTHS-BMIGLBTASA-N -1 0 292.335 2.999 20 5 CFBDRM CCC(C)(C)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274663341 385844667 /nfs/dbraw/zinc/84/46/67/385844667.db2.gz FJHHJDZOVUPRGW-UHFFFAOYSA-N -1 0 266.297 2.561 20 5 CFBDRM CSCCCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274929248 385897943 /nfs/dbraw/zinc/89/79/43/385897943.db2.gz XBUFVTWZQLEUEU-UHFFFAOYSA-N -1 0 298.364 2.564 20 5 CFBDRM CC(C)(C)[C@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274839588 385881550 /nfs/dbraw/zinc/88/15/50/385881550.db2.gz FACKGRUHMOTYNW-CYBMUJFWSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436858021 296485184 /nfs/dbraw/zinc/48/51/84/296485184.db2.gz CPOCPCKDYVNXHR-ZJUUUORDSA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC000300295746 296484933 /nfs/dbraw/zinc/48/49/33/296484933.db2.gz QPJYDOCNVVPBFB-BREBYQMCSA-N -1 0 292.335 2.855 20 5 CFBDRM CC[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000077632450 393700957 /nfs/dbraw/zinc/70/09/57/393700957.db2.gz QIDZAVCUVAVWLR-PWSUYJOCSA-N -1 0 292.335 2.999 20 5 CFBDRM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1C ZINC000120140624 393930750 /nfs/dbraw/zinc/93/07/50/393930750.db2.gz LEHXFLZKKVWDEA-JFGNBEQYSA-N -1 0 292.335 2.855 20 5 CFBDRM O=C(Nc1cccc(F)c1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436955406 394038878 /nfs/dbraw/zinc/03/88/78/394038878.db2.gz FKFGRJZEFGVZEO-UHFFFAOYSA-N -1 0 294.213 2.831 20 5 CFBDRM Cc1cc(C(=O)Nc2cccc(O)c2)cc([N+](=O)[O-])c1 ZINC000135398410 394219323 /nfs/dbraw/zinc/21/93/23/394219323.db2.gz BUMGKSBMWYNTSB-UHFFFAOYSA-N -1 0 272.260 2.861 20 5 CFBDRM Cc1cccc(N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000136861412 394235580 /nfs/dbraw/zinc/23/55/80/394235580.db2.gz MBHXBJWBJAQIIY-UHFFFAOYSA-N -1 0 286.287 2.885 20 5 CFBDRM CCCn1ncc([N-]c2ncc([N+](=O)[O-])cn2)c1C1CC1 ZINC000450636937 394305766 /nfs/dbraw/zinc/30/57/66/394305766.db2.gz FPQXUSQORXBJFI-UHFFFAOYSA-N -1 0 288.311 2.612 20 5 CFBDRM C[C@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000457713495 394490402 /nfs/dbraw/zinc/49/04/02/394490402.db2.gz PWLDFPWVXPGEJK-ZCFIWIBFSA-N -1 0 292.213 2.827 20 5 CFBDRM CC(C)N(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000542782562 394712515 /nfs/dbraw/zinc/71/25/15/394712515.db2.gz USECEXKKZZLQJL-UHFFFAOYSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H]1CCC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000578134868 395093338 /nfs/dbraw/zinc/09/33/38/395093338.db2.gz IHNHTZQYAANNDS-MWLCHTKSSA-N -1 0 278.308 2.822 20 5 CFBDRM C[C@H](c1ccco1)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356338137 155231607 /nfs/dbraw/zinc/23/16/07/155231607.db2.gz KYZOKYTWYVXQEJ-SECBINFHSA-N -1 0 290.275 2.727 20 5 CFBDRM C[C@H]1CCCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000186444790 299748984 /nfs/dbraw/zinc/74/89/84/299748984.db2.gz HXSHIWYYYIMMKZ-JTQLQIEISA-N -1 0 278.308 2.563 20 5 CFBDRM CC(C)[C@@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362827510 156095245 /nfs/dbraw/zinc/09/52/45/156095245.db2.gz RIFRSEFLMBXODA-SECBINFHSA-N -1 0 276.296 2.523 20 5 CFBDRM C[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408157494 157382636 /nfs/dbraw/zinc/38/26/36/157382636.db2.gz CVPPCNFZPRVJIQ-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000408416490 157396849 /nfs/dbraw/zinc/39/68/49/157396849.db2.gz UKZOOOJNLYUFCH-VWYCJHECSA-N -1 0 292.335 2.807 20 5 CFBDRM CC1(C)CCCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000408415677 157397098 /nfs/dbraw/zinc/39/70/98/157397098.db2.gz KVGNWFBCBJEOOM-UHFFFAOYSA-N -1 0 292.335 2.953 20 5 CFBDRM CC1(C)C[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000351777419 163192458 /nfs/dbraw/zinc/19/24/58/163192458.db2.gz BMLFHJXLWITZHO-ZETCQYMHSA-N -1 0 284.699 2.938 20 5 CFBDRM CC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000233915774 287051447 /nfs/dbraw/zinc/05/14/47/287051447.db2.gz UANUHYRYSRMLGK-LLVKDONJSA-N -1 0 292.335 2.953 20 5 CFBDRM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274766626 287118630 /nfs/dbraw/zinc/11/86/30/287118630.db2.gz HOXXLVBDRDJJJF-VHSXEESVSA-N -1 0 278.308 2.704 20 5 CFBDRM CN(CCCC(=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000037330209 173131328 /nfs/dbraw/zinc/13/13/28/173131328.db2.gz UHWUOWLHGCDOSS-UHFFFAOYSA-N -1 0 272.688 2.549 20 5 CFBDRM O=C([O-])C1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000037561780 173272234 /nfs/dbraw/zinc/27/22/34/173272234.db2.gz PPVTUBILTQDHJO-UHFFFAOYSA-N -1 0 282.271 2.789 20 5 CFBDRM CC(C)(C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000040494927 174293760 /nfs/dbraw/zinc/29/37/60/174293760.db2.gz SHTUJFCSXRJOET-UHFFFAOYSA-N -1 0 252.270 2.751 20 5 CFBDRM CC(C)C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000043441775 175046072 /nfs/dbraw/zinc/04/60/72/175046072.db2.gz SKYMLFVSFPBSIM-SNVBAGLBSA-N -1 0 270.260 2.645 20 5 CFBDRM CCC(C)(CC)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000231409790 270260720 /nfs/dbraw/zinc/26/07/20/270260720.db2.gz ULYBOGUGDGQORB-UHFFFAOYSA-N -1 0 266.297 2.609 20 5 CFBDRM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000318652922 270294854 /nfs/dbraw/zinc/29/48/54/270294854.db2.gz GGPCBACTJJTKLD-CHWSQXEVSA-N -1 0 298.298 2.586 20 5 CFBDRM CCCC[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000515312422 270367277 /nfs/dbraw/zinc/36/72/77/270367277.db2.gz KIRAZPAVKXXKSG-VIFPVBQESA-N -1 0 270.310 2.725 20 5 CFBDRM CC[C@H](Sc1ccc([N+](=O)[O-])cc1COC)C(=O)[O-] ZINC000515852216 270374801 /nfs/dbraw/zinc/37/48/01/270374801.db2.gz SAYYFYSRVYWSTQ-JTQLQIEISA-N -1 0 285.321 2.697 20 5 CFBDRM CC[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000516473392 270381849 /nfs/dbraw/zinc/38/18/49/270381849.db2.gz RGTTVHZRXPKNPE-JTQLQIEISA-N -1 0 278.308 2.838 20 5 CFBDRM CC(C)(C)C(C)(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000350769497 278298701 /nfs/dbraw/zinc/29/87/01/278298701.db2.gz ZXTXUMGCZUKRBU-UHFFFAOYSA-N -1 0 280.324 2.855 20 5 CFBDRM CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000117422211 288216816 /nfs/dbraw/zinc/21/68/16/288216816.db2.gz RWMLSHXJVUSBQL-NSHDSACASA-N -1 0 292.335 2.953 20 5 CFBDRM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272436645 288238313 /nfs/dbraw/zinc/23/83/13/288238313.db2.gz TWXXSGOXHPXCEQ-ZJUUUORDSA-N -1 0 278.308 2.704 20 5 CFBDRM O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000116865237 280602285 /nfs/dbraw/zinc/60/22/85/280602285.db2.gz ZWZZWLBNEPKBAR-UHFFFAOYSA-N -1 0 258.233 2.553 20 5 CFBDRM Cc1cscc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000120907916 280618776 /nfs/dbraw/zinc/61/87/76/280618776.db2.gz KDJCHPKYKQMKER-UHFFFAOYSA-N -1 0 278.289 2.923 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(CC1CC1)CC1CC1 ZINC000130500672 280704783 /nfs/dbraw/zinc/70/47/83/280704783.db2.gz LGUJBGNTEBFWOR-UHFFFAOYSA-N -1 0 290.319 2.563 20 5 CFBDRM C[C@@H](c1ccco1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164162269 280808890 /nfs/dbraw/zinc/80/88/90/280808890.db2.gz IUTKGUYWAQBTIR-VIFPVBQESA-N -1 0 290.275 2.727 20 5 CFBDRM C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000248483308 281023487 /nfs/dbraw/zinc/02/34/87/281023487.db2.gz CNIXBUZXRRPTKJ-CKYFFXLPSA-N -1 0 292.335 2.855 20 5 CFBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cccc(F)c1 ZINC000255127690 281088623 /nfs/dbraw/zinc/08/86/23/281088623.db2.gz VXZRWAAQIMEMEC-PLNGDYQASA-N -1 0 288.234 2.998 20 5 CFBDRM CCC(CC)(CNc1nc(C)cc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000424374549 281227678 /nfs/dbraw/zinc/22/76/78/281227678.db2.gz LKHOLDAPUGQWHT-UHFFFAOYSA-N -1 0 295.339 2.910 20 5 CFBDRM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331226697 288339658 /nfs/dbraw/zinc/33/96/58/288339658.db2.gz FPCBYBVFDDHGGY-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM CC1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000436966688 281589637 /nfs/dbraw/zinc/58/96/37/281589637.db2.gz OQJPTRLLJQRQJC-UHFFFAOYSA-N -1 0 278.308 2.753 20 5 CFBDRM Cc1cc(N[C@@H](C)CCCCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565042169 290262140 /nfs/dbraw/zinc/26/21/40/290262140.db2.gz WNXCMDPERGDVGF-JTQLQIEISA-N -1 0 296.323 2.564 20 5 CFBDRM Cc1cc(NC[C@H](C)C(=O)[O-])c2cccc([N+](=O)[O-])c2n1 ZINC000565040512 290262207 /nfs/dbraw/zinc/26/22/07/290262207.db2.gz IBBMLVSKWXMNHT-QMMMGPOBSA-N -1 0 289.291 2.584 20 5 CFBDRM Cc1cc(N2CCC[C@H]2CF)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566739437 290413761 /nfs/dbraw/zinc/41/37/61/290413761.db2.gz CZPGYBOXWOGOSZ-VIFPVBQESA-N -1 0 282.271 2.540 20 5 CFBDRM O=C([O-])c1cnc(NC[C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000566800018 290418723 /nfs/dbraw/zinc/41/87/23/290418723.db2.gz ROLBQXPTNOQODD-ONGXEEELSA-N -1 0 291.307 2.536 20 5 CFBDRM Cc1cc(N2[C@H](C)CC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568767822 290569838 /nfs/dbraw/zinc/56/98/38/290569838.db2.gz XZHDDKXYSIETEX-AOOOYVTPSA-N -1 0 278.308 2.979 20 5 CFBDRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436992591 297391938 /nfs/dbraw/zinc/39/19/38/297391938.db2.gz XFGAWRJPYWCCPM-VWYCJHECSA-N -1 0 292.335 2.807 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000290787510 304532699 /nfs/dbraw/zinc/53/26/99/304532699.db2.gz DHUGAMMGCUCQBD-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM C[C@@]1(C(=O)[O-])CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000062933066 297883380 /nfs/dbraw/zinc/88/33/80/297883380.db2.gz FJLVMMKQKVNWDE-GFCCVEGCSA-N -1 0 284.699 2.549 20 5 CFBDRM C[C@H](N=c1[n-]c(C2CCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000450422279 299008920 /nfs/dbraw/zinc/00/89/20/299008920.db2.gz MUEJLFORXFGLJP-VIFPVBQESA-N -1 0 288.307 2.840 20 5 CFBDRM C[C@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000300239193 300072028 /nfs/dbraw/zinc/07/20/28/300072028.db2.gz GYLYKKYMEMBETB-MGCOHNPYSA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C(C)(C)C1 ZINC000274659740 300194230 /nfs/dbraw/zinc/19/42/30/300194230.db2.gz DXFYGNWMONYBFI-SECBINFHSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000263175894 300407430 /nfs/dbraw/zinc/40/74/30/300407430.db2.gz JVPMVJFFDNPYOT-DTWKUNHWSA-N -1 0 298.726 2.795 20 5 CFBDRM O=C(N[C@@H]1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436672933 303895959 /nfs/dbraw/zinc/89/59/59/303895959.db2.gz GWTBXLGMQWJMQR-CQSZACIVSA-N -1 0 298.298 2.718 20 5 CFBDRM O=[N+]([O-])c1c[n-]c(=NC[C@H]2CCC[C@H]2C2CC2)s1 ZINC000413481632 304798313 /nfs/dbraw/zinc/79/83/13/304798313.db2.gz NVYULZMSYPYCPZ-ZJUUUORDSA-N -1 0 267.354 2.711 20 5 CFBDRM CC[C@@H](C)[C@H](C)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166709573 322387504 /nfs/dbraw/zinc/38/75/04/322387504.db2.gz BNPKJNKZAWKCGZ-SFYZADRCSA-N -1 0 267.285 2.535 20 5 CFBDRM C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000572483129 322620481 /nfs/dbraw/zinc/62/04/81/322620481.db2.gz QGSFWVIGWFCAQJ-WCBMZHEXSA-N -1 0 298.726 2.795 20 5 CFBDRM CC[C@](C)(CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)OC ZINC000574759625 322704914 /nfs/dbraw/zinc/70/49/14/322704914.db2.gz MNWBBYMQFBBVJY-CQSZACIVSA-N -1 0 296.323 2.828 20 5 CFBDRM Cc1ccc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000183902019 323929583 /nfs/dbraw/zinc/92/95/83/323929583.db2.gz NCDZYGPZFALGGT-UHFFFAOYSA-N -1 0 286.287 2.790 20 5 CFBDRM C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])CC(=O)[O-] ZINC000214707912 324112015 /nfs/dbraw/zinc/11/20/15/324112015.db2.gz PRXAAKHVYDBGOK-VIFPVBQESA-N -1 0 289.291 2.666 20 5 CFBDRM CCC1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCC1 ZINC000382597021 324431275 /nfs/dbraw/zinc/43/12/75/324431275.db2.gz JQWUCWWQCHRHGY-UHFFFAOYSA-N -1 0 278.308 2.753 20 5 CFBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CCCOC1 ZINC000386746865 324482378 /nfs/dbraw/zinc/48/23/78/324482378.db2.gz ASDVXSHMAIBJEK-ZJUUUORDSA-N -1 0 294.307 2.520 20 5 CFBDRM C[C@H]1C[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000386915699 324483706 /nfs/dbraw/zinc/48/37/06/324483706.db2.gz LBUKISJVVAACSI-VHSXEESVSA-N -1 0 294.307 2.520 20 5 CFBDRM CCC[C@@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)OC ZINC000578239785 324831407 /nfs/dbraw/zinc/83/14/07/324831407.db2.gz SJLIIBDTDJEEJM-NSHDSACASA-N -1 0 296.323 2.828 20 5 CFBDRM Cc1cc(N2CCCCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578364647 324844667 /nfs/dbraw/zinc/84/46/67/324844667.db2.gz BXPCDKRINJHPBO-UHFFFAOYSA-N -1 0 264.281 2.592 20 5 CFBDRM O=C([O-])Cc1ccc(N[C@H]2CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC000578752993 324885543 /nfs/dbraw/zinc/88/55/43/324885543.db2.gz DMZVIPLGNCJKNK-ZJUUUORDSA-N -1 0 282.271 2.524 20 5 CFBDRM Cc1cc(NC[C@@H]2CCCS2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579359230 324943506 /nfs/dbraw/zinc/94/35/06/324943506.db2.gz GQYZPJJCXRKBEA-JTQLQIEISA-N -1 0 296.348 2.909 20 5 CFBDRM Cc1cc(N2CCC[C@@H](F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580556056 325045836 /nfs/dbraw/zinc/04/58/36/325045836.db2.gz BNBFTKYHBSRTNF-SECBINFHSA-N -1 0 282.271 2.540 20 5 CFBDRM C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(F)(F)F ZINC000583937239 325319972 /nfs/dbraw/zinc/31/99/72/325319972.db2.gz GCASUJWOZZOSFP-LURJTMIESA-N -1 0 292.213 2.903 20 5 CFBDRM CC(C)(CCNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000310741239 519218227 /nfs/dbraw/zinc/21/82/27/519218227.db2.gz HFODGNPWXHOHKR-UHFFFAOYSA-N -1 0 252.270 2.508 20 5 CFBDRM CCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000311607950 519888072 /nfs/dbraw/zinc/88/80/72/519888072.db2.gz IODOVPNHEZEZNG-UHFFFAOYSA-N -1 0 264.281 2.819 20 5 CFBDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000061827333 519196358 /nfs/dbraw/zinc/19/63/58/519196358.db2.gz ZTSWYINKVNJPQX-UHFFFAOYSA-N -1 0 298.270 2.563 20 5 CFBDRM CCO[C@@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000361659955 520289734 /nfs/dbraw/zinc/28/97/34/520289734.db2.gz IYQTUKCZVVQOBS-ZDUSSCGKSA-N -1 0 296.323 2.690 20 5 CFBDRM CCOc1cc(N[C@H](C(=O)[O-])[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000263434118 520763421 /nfs/dbraw/zinc/76/34/21/520763421.db2.gz USIBMBGGJFMERH-ZANVPECISA-N -1 0 296.323 2.905 20 5 CFBDRM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000426820376 534515465 /nfs/dbraw/zinc/51/54/65/534515465.db2.gz KZANVXISRUSATI-LBPRGKRZSA-N -1 0 292.316 2.572 20 5 CFBDRM CCN(CC1CCC1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000230319159 520975346 /nfs/dbraw/zinc/97/53/46/520975346.db2.gz LCJXHFJPXGDFNH-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073562939 521642316 /nfs/dbraw/zinc/64/23/16/521642316.db2.gz QFMKVCXTYBUXMP-UHFFFAOYSA-N -1 0 266.297 2.563 20 5 CFBDRM CC[C@H](CSC)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356780319 522269408 /nfs/dbraw/zinc/26/94/08/522269408.db2.gz NLTXAVVGLZAPIZ-SNVBAGLBSA-N -1 0 298.364 2.514 20 5 CFBDRM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000300295966 524159285 /nfs/dbraw/zinc/15/92/85/524159285.db2.gz UFGXEQUFSBLZBW-MNOVXSKESA-N -1 0 292.335 2.857 20 5 CFBDRM C[C@H]1CCC[C@H](C)C1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000334029790 524181558 /nfs/dbraw/zinc/18/15/58/524181558.db2.gz NZEYOIXSXARRQV-UWVGGRQHSA-N -1 0 292.335 2.855 20 5 CFBDRM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000334032028 524312751 /nfs/dbraw/zinc/31/27/51/524312751.db2.gz COZIKIICLBYTKN-ISTVAULSSA-N -1 0 292.335 2.855 20 5 CFBDRM O=C([O-])[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000050510103 526314655 /nfs/dbraw/zinc/31/46/55/526314655.db2.gz FEHWCXJKDSICAT-GFCCVEGCSA-N -1 0 292.316 2.572 20 5 CFBDRM Cc1ncsc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000361248315 527475048 /nfs/dbraw/zinc/47/50/48/527475048.db2.gz BGPOXJBFKFYMHQ-NSCUHMNNSA-N -1 0 291.288 2.623 20 5 CFBDRM CC(C)(C)CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)[O-] ZINC000416439450 527675455 /nfs/dbraw/zinc/67/54/55/527675455.db2.gz LSIGJEUYTXKURR-SNVBAGLBSA-N -1 0 281.312 2.681 20 5 CFBDRM CC(C)[C@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000179452796 528952828 /nfs/dbraw/zinc/95/28/28/528952828.db2.gz DXEBQTZDYGOIML-JTQLQIEISA-N -1 0 292.335 2.950 20 5 CFBDRM CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179380048 529271750 /nfs/dbraw/zinc/27/17/50/529271750.db2.gz ZCZIUSOEYAPENN-SNVBAGLBSA-N -1 0 278.308 2.705 20 5 CFBDRM O=C([O-])NC[C@H]1CCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000740623983 574132945 /nfs/dbraw/zinc/13/29/45/574132945.db2.gz GUIZTHPYKCNAKQ-PSASIEDQSA-N -1 0 297.286 2.582 20 5 CFBDRM C[C@H]1CC=CC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000746462758 574150316 /nfs/dbraw/zinc/15/03/16/574150316.db2.gz MKRDNWRPLWGDIL-VHSXEESVSA-N -1 0 264.281 2.682 20 5 CFBDRM C[Si](C)(C)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000738228370 574160433 /nfs/dbraw/zinc/16/04/33/574160433.db2.gz SSDHCTZGRVMHJE-UHFFFAOYSA-N -1 0 269.329 2.549 20 5 CFBDRM O=C([O-])CCc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000738599922 574175414 /nfs/dbraw/zinc/17/54/14/574175414.db2.gz WIWNCJOWPWOWPF-UHFFFAOYSA-N -1 0 287.275 2.751 20 5 CFBDRM O=C([O-])/C(=C\c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000739500095 574215333 /nfs/dbraw/zinc/21/53/33/574215333.db2.gz UWQAQCMVIBTJLE-YHYXMXQVSA-N -1 0 276.273 2.677 20 5 CFBDRM O=C([O-])N1CCC[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000740515695 574253042 /nfs/dbraw/zinc/25/30/42/574253042.db2.gz RELNQGPIVAICQP-SECBINFHSA-N -1 0 297.286 2.536 20 5 CFBDRM CSCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738190134 574255509 /nfs/dbraw/zinc/25/55/09/574255509.db2.gz ITBQCVYPNSYNIN-XQRVVYSFSA-N -1 0 296.348 2.858 20 5 CFBDRM O=C([O-])NC1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000740559660 574255670 /nfs/dbraw/zinc/25/56/70/574255670.db2.gz GLNWGCYSITXPNE-UHFFFAOYSA-N -1 0 285.325 2.647 20 5 CFBDRM O=C([O-])NCc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000740678928 574261526 /nfs/dbraw/zinc/26/15/26/574261526.db2.gz FOWYUNOVJHMMGQ-UHFFFAOYSA-N -1 0 288.263 2.501 20 5 CFBDRM O=C([O-])Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000740715170 574263892 /nfs/dbraw/zinc/26/38/92/574263892.db2.gz HVMYUWNRWBTYOM-UHFFFAOYSA-N -1 0 291.219 2.530 20 5 CFBDRM O=C([O-])/C(=C/c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000739489657 574322504 /nfs/dbraw/zinc/32/25/04/574322504.db2.gz HQTOPJAIEKWDKK-UKTHLTGXSA-N -1 0 270.244 2.615 20 5 CFBDRM O=C(OCCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000735606281 574330783 /nfs/dbraw/zinc/33/07/83/574330783.db2.gz SREOWHGJTKSFJZ-UHFFFAOYSA-N -1 0 292.266 2.852 20 5 CFBDRM C[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000750414429 574338501 /nfs/dbraw/zinc/33/85/01/574338501.db2.gz KDTPRWWFUNGHGB-JTQLQIEISA-N -1 0 274.276 2.711 20 5 CFBDRM Cc1cccc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000092429569 600580460 /nfs/dbraw/zinc/58/04/60/600580460.db2.gz MPAWCCMHHCHJPQ-UHFFFAOYSA-N -1 0 288.259 2.575 20 5 CFBDRM C[C@H](CC(=O)[O-])SCc1cc(F)ccc1[N+](=O)[O-] ZINC000090097775 600593272 /nfs/dbraw/zinc/59/32/72/600593272.db2.gz UFJIQRYVRCWCHH-SSDOTTSWSA-N -1 0 273.285 2.830 20 5 CFBDRM C[C@H](CSCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000086109036 600605554 /nfs/dbraw/zinc/60/55/54/600605554.db2.gz XFWYVHSJVJBQLU-MRVPVSSYSA-N -1 0 255.295 2.549 20 5 CFBDRM C[C@H](CSc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000086111185 600625770 /nfs/dbraw/zinc/62/57/70/600625770.db2.gz DOABMDXPPGGUGN-MRVPVSSYSA-N -1 0 292.316 2.956 20 5 CFBDRM O=C([O-])[C@H](CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000061609709 600670367 /nfs/dbraw/zinc/67/03/67/600670367.db2.gz ZNGXPYIVRZSHHR-GFCCVEGCSA-N -1 0 286.287 2.875 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OC/C(Cl)=C/Cl)c1 ZINC000236461862 600901632 /nfs/dbraw/zinc/90/16/32/600901632.db2.gz MNSMABCALUMNRC-DAXSKMNVSA-N -1 0 292.074 2.991 20 5 CFBDRM C/C(=C/COc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000214701372 601097857 /nfs/dbraw/zinc/09/78/57/601097857.db2.gz ZFAMHQKCAIOYOQ-DAXSKMNVSA-N -1 0 271.656 2.658 20 5 CFBDRM C/C(=C/COc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000235761015 602125140 /nfs/dbraw/zinc/12/51/40/602125140.db2.gz NLIMALGWFXVMQZ-ALCCZGGFSA-N -1 0 271.656 2.658 20 5 CFBDRM Cc1cc(NCc2ccccn2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898574 602311895 /nfs/dbraw/zinc/31/18/95/602311895.db2.gz PPJYHLUJXKEJJR-UHFFFAOYSA-N -1 0 287.275 2.609 20 5 CFBDRM Cc1cc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)no1 ZINC000832886941 602314854 /nfs/dbraw/zinc/31/48/54/602314854.db2.gz ZGQOHHBMCFOOIP-UHFFFAOYSA-N -1 0 291.263 2.510 20 5 CFBDRM C[C@H](CC(=O)[O-])Sc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148417731 604459298 /nfs/dbraw/zinc/45/92/98/604459298.db2.gz QYWPZCQRNQFPMP-RXMQYKEDSA-N -1 0 276.701 2.599 20 5 CFBDRM O=C([O-])c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])o1 ZINC000148401805 604459439 /nfs/dbraw/zinc/45/94/39/604459439.db2.gz RDHWRJSKHRAQRJ-UHFFFAOYSA-N -1 0 297.654 2.547 20 5 CFBDRM O=C([O-])C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000042162269 604467989 /nfs/dbraw/zinc/46/79/89/604467989.db2.gz LQVMVVIGYQJIIX-MRVPVSSYSA-N -1 0 284.699 2.692 20 5 CFBDRM Cc1cc(CSc2ccc([N+](=O)[O-])cn2)oc1C(=O)[O-] ZINC000832885247 604788953 /nfs/dbraw/zinc/78/89/53/604788953.db2.gz NZMIJUFGMWAOJU-UHFFFAOYSA-N -1 0 294.288 2.882 20 5 CFBDRM O=C([O-])N1CC[C@@H](CSCc2ccc([N+](=O)[O-])cc2)C1 ZINC000834081181 605992760 /nfs/dbraw/zinc/99/27/60/605992760.db2.gz HNSCJHYDFYWMNX-LLVKDONJSA-N -1 0 296.348 2.828 20 5 CFBDRM CS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000235138776 618130375 /nfs/dbraw/zinc/13/03/75/618130375.db2.gz BYKZZNMAOPOCEB-WPRPVWTQSA-N -1 0 296.348 2.989 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1CSC[C@H]1C[C@@]12CCOC2 ZINC000902543831 621114675 /nfs/dbraw/zinc/11/46/75/621114675.db2.gz VYJQPWQUTPYAAT-BXUZGUMPSA-N -1 0 295.360 2.960 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1CSC[C@@H]1C[C@]12CCOC2 ZINC000902543832 621114726 /nfs/dbraw/zinc/11/47/26/621114726.db2.gz VYJQPWQUTPYAAT-FZMZJTMJSA-N -1 0 295.360 2.960 20 5 CFBDRM O=C([O-])CCCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903963182 621485355 /nfs/dbraw/zinc/48/53/55/621485355.db2.gz WHPNHKABWUNNCU-UHFFFAOYSA-N -1 0 292.335 2.598 20 5 CFBDRM C[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000910335844 622432307 /nfs/dbraw/zinc/43/23/07/622432307.db2.gz ZLJDCFSWBWYHTH-WPRPVWTQSA-N -1 0 296.348 2.989 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](C)CC[C@@H]2C)n1 ZINC000910355152 622438144 /nfs/dbraw/zinc/43/81/44/622438144.db2.gz FEOOMGNMQFOKQL-WPRPVWTQSA-N -1 0 293.323 2.621 20 5 CFBDRM O=C([O-])Cc1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000910387904 622439728 /nfs/dbraw/zinc/43/97/28/622439728.db2.gz AGJLKNPJVSOAFY-DMDPSCGWSA-N -1 0 290.319 2.822 20 5 CFBDRM Cc1ccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c([N+](=O)[O-])c1 ZINC000910387000 622439764 /nfs/dbraw/zinc/43/97/64/622439764.db2.gz VMBWVTVIVOFXDZ-SRRSOLGSSA-N -1 0 290.319 2.814 20 5 CFBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])s1)CC1CC1 ZINC000910423214 622442873 /nfs/dbraw/zinc/44/28/73/622442873.db2.gz UHMAMSCOZCLEGK-MRVPVSSYSA-N -1 0 270.310 2.569 20 5 CFBDRM O=C([O-])[C@]12CN(c3ccc([N+](=O)[O-])s3)C[C@H]1CCCC2 ZINC000910475356 622450164 /nfs/dbraw/zinc/45/01/64/622450164.db2.gz IDLSUTKXDPRMRE-NOZJJQNGSA-N -1 0 296.348 2.738 20 5 CFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC=CC12CCCC2 ZINC000913202498 622846767 /nfs/dbraw/zinc/84/67/67/622846767.db2.gz PHQGWWUCMRSQBX-UHFFFAOYSA-N -1 0 288.303 2.625 20 5 CFBDRM O=C(NCCC[C@H]1C=CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000834326827 625611353 /nfs/dbraw/zinc/61/13/53/625611353.db2.gz JJYQAKKDOXQDIY-NSHDSACASA-N -1 0 290.319 2.777 20 5 CFBDRM O=C([O-])/C=C\c1ccc(NCC2CCC2)c([N+](=O)[O-])c1 ZINC000915211253 623996345 /nfs/dbraw/zinc/99/63/45/623996345.db2.gz PWYWMRBFHQBFED-ALCCZGGFSA-N -1 0 276.292 2.905 20 5 CFBDRM CC(C)/C=C\C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837675524 624117716 /nfs/dbraw/zinc/11/77/16/624117716.db2.gz BULLHCUKKHPYKS-UTCJRWHESA-N -1 0 265.265 2.556 20 5 CFBDRM Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000916853777 624288462 /nfs/dbraw/zinc/28/84/62/624288462.db2.gz GHOKRZVBOYGXLG-UHFFFAOYSA-N -1 0 260.249 2.759 20 5 CFBDRM O=C([O-])/C=C\c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000920957593 624788604 /nfs/dbraw/zinc/78/86/04/624788604.db2.gz WYJUCIOWXREGCH-XQRVVYSFSA-N -1 0 299.286 2.700 20 5 CFBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922586629 626318817 /nfs/dbraw/zinc/31/88/17/626318817.db2.gz PCCBCYZRQDOTSS-MRXNPFEDSA-N -1 0 299.330 2.936 20 5 CFBDRM CCC(C)(C)OCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000838407208 626496085 /nfs/dbraw/zinc/49/60/85/626496085.db2.gz PUSNHQHQMAUMQO-UHFFFAOYSA-N -1 0 297.307 2.549 20 5 CFBDRM CC(C)c1cccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000761363562 626829003 /nfs/dbraw/zinc/82/90/03/626829003.db2.gz LELGTWRLXKOEAD-UHFFFAOYSA-N -1 0 289.291 2.798 20 5 CFBDRM C[C@H]1CCC[C@@H](COC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000776114923 628105130 /nfs/dbraw/zinc/10/51/30/628105130.db2.gz ZQZZUCDSYBAZAY-VHSXEESVSA-N -1 0 266.297 2.906 20 5 CFBDRM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1nccs1 ZINC000782152819 628608561 /nfs/dbraw/zinc/60/85/61/628608561.db2.gz TWLFPMIMUNTMAH-UHFFFAOYSA-N -1 0 285.231 2.582 20 5 CFBDRM O=C([O-])CCSc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000794408415 629644027 /nfs/dbraw/zinc/64/40/27/629644027.db2.gz 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781901268 /nfs/dbraw/zinc/90/12/68/781901268.db2.gz RGUIRELOGYMZKP-RITPCOANSA-N -1 0 275.692 2.557 20 5 CFBDRM CC[C@@H](C)[C@@H](C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231072078 781901784 /nfs/dbraw/zinc/90/17/84/781901784.db2.gz RGUIRELOGYMZKP-PHDIDXHHSA-N -1 0 275.692 2.557 20 5 CFBDRM CC[C@@H](C)CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000594737238 349484735 /nfs/dbraw/zinc/48/47/35/349484735.db2.gz VCRQVRRRCOEYSA-MRVPVSSYSA-N -1 0 267.285 2.536 20 5 CFBDRM C[C@@]1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(F)F ZINC000594736086 349484803 /nfs/dbraw/zinc/48/48/03/349484803.db2.gz PBXFYDNKCXAFJS-NSHDSACASA-N -1 0 286.234 2.750 20 5 CFBDRM COc1cc(NC[C@H](CC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000594735205 349484039 /nfs/dbraw/zinc/48/40/39/349484039.db2.gz HSYPOYPWZKISNT-JTQLQIEISA-N -1 0 294.307 2.516 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](CCF)C2)c1 ZINC000594734794 349484208 /nfs/dbraw/zinc/48/42/08/349484208.db2.gz FJCMBHZJVDUKPG-JTQLQIEISA-N -1 0 296.298 2.869 20 5 CFBDRM CCOc1cc(NC[C@@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000087506513 347496208 /nfs/dbraw/zinc/49/62/08/347496208.db2.gz JJESAMFUMWJXMM-LLVKDONJSA-N -1 0 296.323 2.762 20 5 CFBDRM CC[C@@H](Sc1cc(OC)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000097824122 347710222 /nfs/dbraw/zinc/71/02/22/347710222.db2.gz SGJGNHJGTLGEEO-SECBINFHSA-N -1 0 271.294 2.559 20 5 CFBDRM CC[C@@H](Sc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000097824184 347710326 /nfs/dbraw/zinc/71/03/26/347710326.db2.gz GJHVQEUJRXREKV-SECBINFHSA-N -1 0 255.295 2.859 20 5 CFBDRM Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O ZINC000119384189 347801496 /nfs/dbraw/zinc/80/14/96/347801496.db2.gz ZWFAYDMUDQQHFD-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)CC(=O)[O-] ZINC000122733288 347816151 /nfs/dbraw/zinc/81/61/51/347816151.db2.gz WFCNHYYERPNFSR-SECBINFHSA-N -1 0 289.291 2.666 20 5 CFBDRM C[C@]1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCCS1 ZINC000124319583 347823459 /nfs/dbraw/zinc/82/34/59/347823459.db2.gz BGZHHIZHSOLATP-CYBMUJFWSA-N -1 0 296.348 2.991 20 5 CFBDRM Cc1cccc2c1CCN2C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000126819290 347837073 /nfs/dbraw/zinc/83/70/73/347837073.db2.gz XTHOAIKSMDYOFR-UHFFFAOYSA-N -1 0 298.298 2.812 20 5 CFBDRM COc1cc(NCC2(C(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC000165358895 348038742 /nfs/dbraw/zinc/03/87/42/348038742.db2.gz ROXCFSPMBZDDKE-UHFFFAOYSA-N -1 0 294.307 2.660 20 5 CFBDRM CCOc1cc(NCC2(C(=O)[O-])CCC2)ccc1[N+](=O)[O-] ZINC000166684557 348043728 /nfs/dbraw/zinc/04/37/28/348043728.db2.gz KVBZNGHTHSXDPB-UHFFFAOYSA-N -1 0 294.307 2.660 20 5 CFBDRM CC1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000233054781 348216643 /nfs/dbraw/zinc/21/66/43/348216643.db2.gz SDPRHYSZGBGWNX-UHFFFAOYSA-N -1 0 250.254 2.505 20 5 CFBDRM CCCCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000228072006 348193305 /nfs/dbraw/zinc/19/33/05/348193305.db2.gz DOUNHOSSVSGCBZ-UHFFFAOYSA-N -1 0 266.297 2.611 20 5 CFBDRM CSCCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000229289886 348200083 /nfs/dbraw/zinc/20/00/83/348200083.db2.gz KEARYSCZEVQOBB-UHFFFAOYSA-N -1 0 284.337 2.848 20 5 CFBDRM CC(C)CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC000232650698 348212953 /nfs/dbraw/zinc/21/29/53/348212953.db2.gz MKAMKMHZEQWSRE-UHFFFAOYSA-N -1 0 280.324 2.807 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402921744 348583278 /nfs/dbraw/zinc/58/32/78/348583278.db2.gz ZBDMGRUVZLYGHU-JFGNBEQYSA-N -1 0 288.303 2.841 20 5 CFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(C2CC2)CC1 ZINC000590428650 348900589 /nfs/dbraw/zinc/90/05/89/348900589.db2.gz MLDXXNHNVGITHY-UHFFFAOYSA-N -1 0 290.319 2.563 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000591126710 348990294 /nfs/dbraw/zinc/99/02/94/348990294.db2.gz LLUFCUTVQWEVOC-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM O=C([O-])CCCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000591326964 349010337 /nfs/dbraw/zinc/01/03/37/349010337.db2.gz RUNKPYROISOLKQ-UHFFFAOYSA-N -1 0 272.688 2.915 20 5 CFBDRM CCC(CC)(CNc1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000591687113 349038530 /nfs/dbraw/zinc/03/85/30/349038530.db2.gz KZBSIYVKPPUNBT-UHFFFAOYSA-N -1 0 272.326 2.959 20 5 CFBDRM CCCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592963938 349179032 /nfs/dbraw/zinc/17/90/32/349179032.db2.gz DWMPQHBTQBPOCA-UHFFFAOYSA-N -1 0 266.297 2.824 20 5 CFBDRM Cc1cc(NC[C@H]2CC[C@H](C)O2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978361 349179460 /nfs/dbraw/zinc/17/94/60/349179460.db2.gz OZNIGTLFLZGDCF-GXSJLCMTSA-N -1 0 294.307 2.581 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC=CCC2)n1 ZINC000592973120 349179494 /nfs/dbraw/zinc/17/94/94/349179494.db2.gz ZIUXQAJCALHUGZ-VIFPVBQESA-N -1 0 277.280 2.517 20 5 CFBDRM O=C([O-])c1cc(N[C@H]2CCC[C@H]2F)ccc1[N+](=O)[O-] ZINC000592973892 349179741 /nfs/dbraw/zinc/17/97/41/349179741.db2.gz FVRNQBNCYZLTRO-ZJUUUORDSA-N -1 0 268.244 2.596 20 5 CFBDRM CC[C@H](CSCc1cc([O-])ccc1[N+](=O)[O-])OC ZINC000593200737 349227881 /nfs/dbraw/zinc/22/78/81/349227881.db2.gz YQLDBBVBEVQFMF-LLVKDONJSA-N -1 0 271.338 2.959 20 5 CFBDRM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597752451 350131439 /nfs/dbraw/zinc/13/14/39/350131439.db2.gz CHSLHXPVTLBZGN-SECBINFHSA-N -1 0 278.308 2.704 20 5 CFBDRM C[C@@H]1CCC(C)(C)N1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000597756379 350131998 /nfs/dbraw/zinc/13/19/98/350131998.db2.gz DETYZVNEFVZGSQ-SECBINFHSA-N -1 0 278.308 2.704 20 5 CFBDRM C[C@H]1CCC(C)(C)N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597752970 350132102 /nfs/dbraw/zinc/13/21/02/350132102.db2.gz KICFAXKHNOCSIW-VIFPVBQESA-N -1 0 278.308 2.704 20 5 CFBDRM CCC(C)(C)[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597953700 350162062 /nfs/dbraw/zinc/16/20/62/350162062.db2.gz GWNFXEHRYJBZAR-SECBINFHSA-N -1 0 280.324 2.855 20 5 CFBDRM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598299435 350229249 /nfs/dbraw/zinc/22/92/49/350229249.db2.gz LASKWAVTYGFNAK-GHMZBOCLSA-N -1 0 292.335 2.951 20 5 CFBDRM CCC[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)OCC ZINC000600679073 350596647 /nfs/dbraw/zinc/59/66/47/350596647.db2.gz XYZVSKAFFKXZHM-NSHDSACASA-N -1 0 296.323 2.910 20 5 CFBDRM O=C([O-])Cc1ccc(N[C@H]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC000600943099 350634509 /nfs/dbraw/zinc/63/45/09/350634509.db2.gz ROGFLMLXXFDICU-ZDUSSCGKSA-N -1 0 290.319 2.967 20 5 CFBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)CC[C@@H]2C ZINC000601934944 350807481 /nfs/dbraw/zinc/80/74/81/350807481.db2.gz FYCXOOWXYNUAAI-ONGXEEELSA-N -1 0 273.292 2.652 20 5 CFBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c(C2CCC2)cc1=O ZINC000601936810 350808592 /nfs/dbraw/zinc/80/85/92/350808592.db2.gz VGALFQVFUVVZJV-UHFFFAOYSA-N -1 0 273.292 2.796 20 5 CFBDRM Cc1ccnc([N-]c2cnn(C)c2C(F)F)c1[N+](=O)[O-] ZINC000611143790 351645270 /nfs/dbraw/zinc/64/52/70/351645270.db2.gz IIULWYMJAOBYNB-UHFFFAOYSA-N -1 0 283.238 2.713 20 5 CFBDRM CCN(Cc1ccoc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610908053 351620347 /nfs/dbraw/zinc/62/03/47/351620347.db2.gz QZHFKNCTARYJFT-UHFFFAOYSA-N -1 0 290.275 2.556 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(C(F)(F)F)CC1 ZINC000611294661 351665031 /nfs/dbraw/zinc/66/50/31/351665031.db2.gz GKIKDJNWLMKDQC-UHFFFAOYSA-N -1 0 290.197 2.581 20 5 CFBDRM CC(=O)C(C)(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000611294784 351665046 /nfs/dbraw/zinc/66/50/46/351665046.db2.gz PKUPYVMVYFULNR-UHFFFAOYSA-N -1 0 294.307 2.634 20 5 CFBDRM CC(F)(F)CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000614271675 352072993 /nfs/dbraw/zinc/07/29/93/352072993.db2.gz IWSNEVMPHFLNIS-UHFFFAOYSA-N -1 0 274.223 2.674 20 5 CFBDRM CCN(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000292029602 198139367 /nfs/dbraw/zinc/13/93/67/198139367.db2.gz CHKVLOUFYAHHHC-UHFFFAOYSA-N -1 0 280.324 2.809 20 5 CFBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000271502596 191178291 /nfs/dbraw/zinc/17/82/91/191178291.db2.gz KZMVRYQMTUIBAU-MRVPVSSYSA-N -1 0 266.297 2.921 20 5 CFBDRM O=C(C[C@H]1C=CCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000154022641 188118005 /nfs/dbraw/zinc/11/80/05/188118005.db2.gz OHUFDNMEFMLFBV-VIFPVBQESA-N -1 0 262.265 2.595 20 5 CFBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CC1(F)F ZINC000297571887 200231649 /nfs/dbraw/zinc/23/16/49/200231649.db2.gz SCQCMTJGWXNBIM-RXMQYKEDSA-N -1 0 292.625 2.548 20 5 CFBDRM CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000179416627 189192892 /nfs/dbraw/zinc/19/28/92/189192892.db2.gz BKDUVMQUJLHDBW-UHFFFAOYSA-N -1 0 278.308 2.561 20 5 CFBDRM CC1(C)C[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000216056769 540904532 /nfs/dbraw/zinc/90/45/32/540904532.db2.gz ZQVZTGNIBOBGBP-SNVBAGLBSA-N -1 0 294.307 2.663 20 5 CFBDRM CS[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180779853 189275021 /nfs/dbraw/zinc/27/50/21/189275021.db2.gz PMKXPSZKRWAKTC-RXMQYKEDSA-N -1 0 290.728 2.644 20 5 CFBDRM O=C(C[C@H]1C=CCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183917472 189371673 /nfs/dbraw/zinc/37/16/73/189371673.db2.gz HNPPCTCCJFLVGW-VIFPVBQESA-N -1 0 262.265 2.595 20 5 CFBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCCCCC1 ZINC000184618235 189391061 /nfs/dbraw/zinc/39/10/61/189391061.db2.gz FQSSJNDOFMHVBJ-UHFFFAOYSA-N -1 0 278.308 2.707 20 5 CFBDRM CCc1c([N-]c2ncc([N+](=O)[O-])cn2)cnn1CC(C)C ZINC000302203755 201393516 /nfs/dbraw/zinc/39/35/16/201393516.db2.gz CDKYYTAEKDWHTN-UHFFFAOYSA-N -1 0 290.327 2.543 20 5 CFBDRM CCc1c[nH]c(SCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000436473183 240451604 /nfs/dbraw/zinc/45/16/04/240451604.db2.gz FMHBHEBFIPBAKJ-UHFFFAOYSA-N -1 0 279.321 2.878 20 5 CFBDRM C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC=CCC1 ZINC000450393965 242395601 /nfs/dbraw/zinc/39/56/01/242395601.db2.gz RREPSGBEKKNZEX-AWEZNQCLSA-N -1 0 276.292 2.985 20 5 CFBDRM CC[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C1CCCC1 ZINC000456653433 244251215 /nfs/dbraw/zinc/25/12/15/244251215.db2.gz GOUYNGJPUWCZOX-GFCCVEGCSA-N -1 0 292.335 2.999 20 5 CFBDRM CCC(CC)(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000011164880 371917296 /nfs/dbraw/zinc/91/72/96/371917296.db2.gz 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C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000176615963 380258055 /nfs/dbraw/zinc/25/80/55/380258055.db2.gz IAXUOTNCEJROPI-MNOVXSKESA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H]1CCCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000186444775 296306996 /nfs/dbraw/zinc/30/69/96/296306996.db2.gz HXSHIWYYYIMMKZ-SNVBAGLBSA-N -1 0 278.308 2.563 20 5 CFBDRM C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cnccn1 ZINC000180380772 380650886 /nfs/dbraw/zinc/65/08/86/380650886.db2.gz MJXJBEGXOKLDEG-TWGQIWQCSA-N -1 0 257.249 2.651 20 5 CFBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000181904146 380931712 /nfs/dbraw/zinc/93/17/12/380931712.db2.gz CVTBNZGAZMPYGV-UHFFFAOYSA-N -1 0 290.250 2.716 20 5 CFBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccccc1 ZINC000255089611 304228081 /nfs/dbraw/zinc/22/80/81/304228081.db2.gz PSSVMQAOIHUFGT-SREVYHEPSA-N -1 0 270.244 2.858 20 5 CFBDRM O=C([O-])c1ccnc(/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000347410080 381131436 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JRHOOFWIXFAOFR-LLVKDONJSA-N -1 0 278.308 2.561 20 5 CFBDRM CC(C)[C@@]1(C)C[C@@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000397177733 270316289 /nfs/dbraw/zinc/31/62/89/270316289.db2.gz HIJPHKQBADLECG-TVQRCGJNSA-N -1 0 279.296 2.535 20 5 CFBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H]1C1CC1 ZINC000514728650 270351619 /nfs/dbraw/zinc/35/16/19/270351619.db2.gz BITCGOWYMNSDLS-JTQLQIEISA-N -1 0 296.710 2.578 20 5 CFBDRM CC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000516473393 270381989 /nfs/dbraw/zinc/38/19/89/270381989.db2.gz RGTTVHZRXPKNPE-SNVBAGLBSA-N -1 0 278.308 2.838 20 5 CFBDRM CC(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966149 279025925 /nfs/dbraw/zinc/02/59/25/279025925.db2.gz MUMVFRKYBDGUTM-NSHDSACASA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@@H]1c2cccn2CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000332573126 279141528 /nfs/dbraw/zinc/14/15/28/279141528.db2.gz FCRWBZGGAQYNCP-LLVKDONJSA-N -1 0 287.319 2.679 20 5 CFBDRM CC[C@H]1CCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000452530028 288230372 /nfs/dbraw/zinc/23/03/72/288230372.db2.gz PHLZUQJEHMDBHZ-JQWIXIFHSA-N -1 0 292.335 2.857 20 5 CFBDRM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274766623 288244634 /nfs/dbraw/zinc/24/46/34/288244634.db2.gz HOXXLVBDRDJJJF-UWVGGRQHSA-N -1 0 278.308 2.704 20 5 CFBDRM CC[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000479474623 288248398 /nfs/dbraw/zinc/24/83/98/288248398.db2.gz RNPZFHBIKFFAEK-UMSPYCQHSA-N -1 0 292.335 2.999 20 5 CFBDRM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119074876 280605580 /nfs/dbraw/zinc/60/55/80/280605580.db2.gz SRAWNKIYLBVLKV-VHSXEESVSA-N -1 0 280.324 2.855 20 5 CFBDRM CCCN(CCC)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130364375 280702774 /nfs/dbraw/zinc/70/27/74/280702774.db2.gz QKCUJTVPTRTBKM-UHFFFAOYSA-N -1 0 266.297 2.563 20 5 CFBDRM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000235353622 280939769 /nfs/dbraw/zinc/93/97/69/280939769.db2.gz VAJAPYJBLCJXHV-NXEZZACHSA-N -1 0 278.308 2.561 20 5 CFBDRM CC1(C)CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436986546 281033132 /nfs/dbraw/zinc/03/31/32/281033132.db2.gz GGHUXACWBPKSMS-LBPRGKRZSA-N -1 0 278.308 2.609 20 5 CFBDRM CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436966920 281085884 /nfs/dbraw/zinc/08/58/84/281085884.db2.gz XFFPXEWRZMAFGO-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CC1(C)CC[C@H]1N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343780697 281136406 /nfs/dbraw/zinc/13/64/06/281136406.db2.gz AXLODLCJTHGJLP-LLVKDONJSA-N -1 0 288.307 2.667 20 5 CFBDRM Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000424371728 281227406 /nfs/dbraw/zinc/22/74/06/281227406.db2.gz GKZZCFQFDWKXDC-LLVKDONJSA-N -1 0 295.339 2.765 20 5 CFBDRM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000457309345 288434805 /nfs/dbraw/zinc/43/48/05/288434805.db2.gz WPRCUUJQXJBUHC-IUODEOHRSA-N -1 0 292.335 2.855 20 5 CFBDRM CC(C)CC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000155094117 289911238 /nfs/dbraw/zinc/91/12/38/289911238.db2.gz CQDIMVUCENGSJI-UHFFFAOYSA-N -1 0 292.335 2.857 20 5 CFBDRM C[C@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000564214904 290197528 /nfs/dbraw/zinc/19/75/28/290197528.db2.gz ROEGIBJKCALJDM-IUCAKERBSA-N -1 0 264.281 2.670 20 5 CFBDRM CC[C@@H]1CCCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000565037829 290261899 /nfs/dbraw/zinc/26/18/99/290261899.db2.gz DISUWKHMNPSETC-SNVBAGLBSA-N -1 0 293.323 2.623 20 5 CFBDRM Cc1cc(NC[C@@H]2C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038449 290262376 /nfs/dbraw/zinc/26/23/76/290262376.db2.gz NBFNCDOBKVXHJY-CBAPKCEASA-N -1 0 264.281 2.669 20 5 CFBDRM CCC[C@H](C)N(C)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566295692 290368120 /nfs/dbraw/zinc/36/81/20/290368120.db2.gz UZTFGSIQTKMJKT-VIFPVBQESA-N -1 0 281.312 2.621 20 5 CFBDRM C[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164152819 299900493 /nfs/dbraw/zinc/90/04/93/299900493.db2.gz IWMQSVOGOXMDLG-ONGXEEELSA-N -1 0 278.308 2.609 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H]1c1ccccc1 ZINC000436768154 304553450 /nfs/dbraw/zinc/55/34/50/304553450.db2.gz DMYRVDJULUATLW-CYBMUJFWSA-N -1 0 298.298 2.888 20 5 CFBDRM Cc1cc(N2CCC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000062874485 327896191 /nfs/dbraw/zinc/89/61/91/327896191.db2.gz FEHMHVGNJZCDSQ-AWEZNQCLSA-N -1 0 278.308 2.594 20 5 CFBDRM Cc1cc([N+](=O)[O-])cnc1NCC1(C(=O)[O-])CCCCC1 ZINC000165676519 322384968 /nfs/dbraw/zinc/38/49/68/322384968.db2.gz WWVNESOOBSORBW-UHFFFAOYSA-N -1 0 293.323 2.745 20 5 CFBDRM Cc1cc(N2CCS[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570970036 322562117 /nfs/dbraw/zinc/56/21/17/322562117.db2.gz GDUBLBHMQGBPAP-SECBINFHSA-N -1 0 296.348 2.543 20 5 CFBDRM Cc1cc(N2CCCC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572367249 322616545 /nfs/dbraw/zinc/61/65/45/322616545.db2.gz QUWFZRIJCHKIPR-SNVBAGLBSA-N -1 0 278.308 2.980 20 5 CFBDRM CC1(C)SC[C@H]1Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000393806790 324531859 /nfs/dbraw/zinc/53/18/59/324531859.db2.gz CRLKVHNFHCYHTE-SNVBAGLBSA-N -1 0 282.321 2.599 20 5 CFBDRM Cc1cc(N2C[C@H](C)[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576640015 324640552 /nfs/dbraw/zinc/64/05/52/324640552.db2.gz NKWBCADYJOBGDM-AOOOYVTPSA-N -1 0 278.308 2.694 20 5 CFBDRM CC[C@H](C[C@@H](C)CO)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582910452 325244547 /nfs/dbraw/zinc/24/45/47/325244547.db2.gz KCHKYCUXDHDJDB-NXEZZACHSA-N -1 0 296.323 2.502 20 5 CFBDRM CC(C)CCO[C@@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166077703 519671221 /nfs/dbraw/zinc/67/12/21/519671221.db2.gz VVKLDLCBRYCKPB-JTQLQIEISA-N -1 0 296.323 2.690 20 5 CFBDRM CCCC[C@H](Nc1ccc([N+](=O)[O-])c(C(C)=O)c1)C(=O)[O-] ZINC000263555697 521244388 /nfs/dbraw/zinc/24/43/88/521244388.db2.gz ODPYJTJBJWRUDA-LBPRGKRZSA-N -1 0 294.307 2.853 20 5 CFBDRM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166083774 523728758 /nfs/dbraw/zinc/72/87/58/523728758.db2.gz CWVWUEHEHZBMOB-ZANVPECISA-N -1 0 264.281 2.675 20 5 CFBDRM Cc1cc(NC(C)(C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000050196213 525263920 /nfs/dbraw/zinc/26/39/20/525263920.db2.gz BKVWBOCSDYSUAQ-UHFFFAOYSA-N -1 0 266.297 2.959 20 5 CFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1sccc1F ZINC000311910198 527131959 /nfs/dbraw/zinc/13/19/59/527131959.db2.gz FACCEPDXGLVWFP-UHFFFAOYSA-N -1 0 282.252 2.753 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000166133289 527235113 /nfs/dbraw/zinc/23/51/13/527235113.db2.gz PLZZYVXZMBRMTC-UHFFFAOYSA-N -1 0 293.666 2.601 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccco1 ZINC000364874974 527235398 /nfs/dbraw/zinc/23/53/98/527235398.db2.gz FDCGKJZGMIZKCI-NXEZZACHSA-N -1 0 288.259 2.636 20 5 CFBDRM O=C([O-])CCCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000236428386 527581402 /nfs/dbraw/zinc/58/14/02/527581402.db2.gz IIOWLORAGFFGLG-UHFFFAOYSA-N -1 0 287.703 2.700 20 5 CFBDRM CCSCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179527184 529188289 /nfs/dbraw/zinc/18/82/89/529188289.db2.gz XIEVNOFDZPKOIZ-SECBINFHSA-N -1 0 298.364 2.562 20 5 CFBDRM C[C@H](CC(=O)[O-])SCCCOc1ccc([N+](=O)[O-])cc1 ZINC000736552830 574059823 /nfs/dbraw/zinc/05/98/23/574059823.db2.gz RRMMVDZGAGOXOV-SNVBAGLBSA-N -1 0 299.348 2.960 20 5 CFBDRM C[C@@H]1C[C@@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736765108 574071088 /nfs/dbraw/zinc/07/10/88/574071088.db2.gz JLZWVPVLHGLEMR-MQWKABKASA-N -1 0 262.265 2.513 20 5 CFBDRM O=C([O-])NC[C@H]1CCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000740623991 574132962 /nfs/dbraw/zinc/13/29/62/574132962.db2.gz GUIZTHPYKCNAKQ-SCZZXKLOSA-N -1 0 297.286 2.582 20 5 CFBDRM C[C@@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)[C@H](C)C1 ZINC000737344309 574136571 /nfs/dbraw/zinc/13/65/71/574136571.db2.gz HSRUYNHGMCWSAS-FXPVBKGRSA-N -1 0 266.297 2.904 20 5 CFBDRM C[C@@H]1CC=CC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000746462754 574149888 /nfs/dbraw/zinc/14/98/88/574149888.db2.gz MKRDNWRPLWGDIL-NXEZZACHSA-N -1 0 264.281 2.682 20 5 CFBDRM C[C@H]1CC=CC[C@H]1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000746462756 574149970 /nfs/dbraw/zinc/14/99/70/574149970.db2.gz MKRDNWRPLWGDIL-UWVGGRQHSA-N -1 0 264.281 2.682 20 5 CFBDRM Cc1ccc2c(c1)CCN2C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755846553 574192248 /nfs/dbraw/zinc/19/22/48/574192248.db2.gz DUAGHRRHMMTNLZ-UHFFFAOYSA-N -1 0 298.298 2.812 20 5 CFBDRM O=C([O-])NC1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000740560069 574256012 /nfs/dbraw/zinc/25/60/12/574256012.db2.gz SVLYOGXUPIYAOB-UHFFFAOYSA-N -1 0 297.286 2.725 20 5 CFBDRM O=C([O-])/C=C\c1ccc(NCc2ccoc2)c([N+](=O)[O-])c1 ZINC000746335879 574267235 /nfs/dbraw/zinc/26/72/35/574267235.db2.gz UWQZPDADPDHEMV-RQOWECAXSA-N -1 0 288.259 2.898 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC(F)(F)C(F)F)c1 ZINC000211737819 600377003 /nfs/dbraw/zinc/37/70/03/600377003.db2.gz VKFCOSSDZFDANS-UHFFFAOYSA-N -1 0 297.160 2.572 20 5 CFBDRM O=C([O-])c1cc(NC(=O)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000200383420 600543213 /nfs/dbraw/zinc/54/32/13/600543213.db2.gz XEXWWDXHSLLSEI-UHFFFAOYSA-N -1 0 292.291 2.812 20 5 CFBDRM C[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000086107477 600594984 /nfs/dbraw/zinc/59/49/84/600594984.db2.gz FHUIFZFHPLUMEQ-QMMMGPOBSA-N -1 0 255.295 2.549 20 5 CFBDRM C[C@H](O)[C@H](C)Sc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827780359 600826798 /nfs/dbraw/zinc/82/67/98/600826798.db2.gz KIYIBBJGDZQHEY-LOJJWDKESA-N -1 0 297.332 2.554 20 5 CFBDRM CC1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828106930 601380626 /nfs/dbraw/zinc/38/06/26/601380626.db2.gz IQTVQKFMQMMOHK-HWKANZROSA-N -1 0 276.292 2.905 20 5 CFBDRM CC[C@@H](C)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000233845519 601810251 /nfs/dbraw/zinc/81/02/51/601810251.db2.gz SGCKIHOKSHRGDG-MRVPVSSYSA-N -1 0 253.254 2.718 20 5 CFBDRM O=C([O-])c1ccc(COc2cccc([N+](=O)[O-])c2)s1 ZINC000109600270 601848958 /nfs/dbraw/zinc/84/89/58/601848958.db2.gz 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CC(C)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000184695527 189392642 /nfs/dbraw/zinc/39/26/42/189392642.db2.gz AHJBJDPMRHKPMN-JTQLQIEISA-N -1 0 292.335 2.950 20 5 CFBDRM CCc1cccnc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436613919 240475497 /nfs/dbraw/zinc/47/54/97/240475497.db2.gz YABMAAIKAPXNSH-UHFFFAOYSA-N -1 0 287.275 2.510 20 5 CFBDRM CC(C)[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000444517274 241145486 /nfs/dbraw/zinc/14/54/86/241145486.db2.gz FSEGLZAUEDTBHW-GFCCVEGCSA-N -1 0 292.335 2.809 20 5 CFBDRM CC(C)C(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000276016545 193188763 /nfs/dbraw/zinc/18/87/63/193188763.db2.gz ORKPIIYWZRZMRQ-UHFFFAOYSA-N -1 0 266.297 2.921 20 5 CFBDRM CCC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCC1 ZINC000458328422 244850776 /nfs/dbraw/zinc/85/07/76/244850776.db2.gz KTUOOCPPEPTEOH-GFCCVEGCSA-N -1 0 292.335 2.999 20 5 CFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000356318369 296183693 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Cc1cc(NCc2ccc(C(=O)[O-])cc2)ncc1[N+](=O)[O-] ZINC000092026247 375083932 /nfs/dbraw/zinc/08/39/32/375083932.db2.gz GISQDSZXZFVPOM-UHFFFAOYSA-N -1 0 287.275 2.609 20 5 CFBDRM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000097669728 375577227 /nfs/dbraw/zinc/57/72/27/375577227.db2.gz ULTJJEHHHOWMCQ-GHMZBOCLSA-N -1 0 292.335 2.857 20 5 CFBDRM CC[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119035015 376340810 /nfs/dbraw/zinc/34/08/10/376340810.db2.gz NYINEFRNMMKKFN-PWSUYJOCSA-N -1 0 292.335 2.999 20 5 CFBDRM CC[C@@]1(C)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330613325 378590131 /nfs/dbraw/zinc/59/01/31/378590131.db2.gz RDPISCVSQVHNBK-AWEZNQCLSA-N -1 0 278.308 2.563 20 5 CFBDRM C[C@@H](N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1(C)CC1 ZINC000164905626 379026758 /nfs/dbraw/zinc/02/67/58/379026758.db2.gz UXSUAAHZUVUPMK-SECBINFHSA-N -1 0 278.308 2.561 20 5 CFBDRM CSCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000176263927 380204812 /nfs/dbraw/zinc/20/48/12/380204812.db2.gz ALBPRUAJZXZJBM-SECBINFHSA-N -1 0 298.364 2.514 20 5 CFBDRM O=C(NCCC1=CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182154210 381003528 /nfs/dbraw/zinc/00/35/28/381003528.db2.gz YFDROISZKWGJNL-UHFFFAOYSA-N -1 0 276.292 2.531 20 5 CFBDRM CN(Cc1ccccc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000347289443 381049662 /nfs/dbraw/zinc/04/96/62/381049662.db2.gz VOTRBLADWQLRFV-UHFFFAOYSA-N -1 0 286.287 2.573 20 5 CFBDRM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183346442 381258276 /nfs/dbraw/zinc/25/82/76/381258276.db2.gz YEJMENBYLQCWBT-SNVBAGLBSA-N -1 0 298.298 2.892 20 5 CFBDRM CCC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000296366505 381364948 /nfs/dbraw/zinc/36/49/48/381364948.db2.gz VLVXUQIWUDFJNJ-UHFFFAOYSA-N -1 0 278.308 2.753 20 5 CFBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(O)c1 ZINC000184591520 381441968 /nfs/dbraw/zinc/44/19/68/381441968.db2.gz GTOYCTBOOQJHNE-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM CC(C)CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000185727781 381717503 /nfs/dbraw/zinc/71/75/03/381717503.db2.gz BWHFFSYFQWYXGN-UHFFFAOYSA-N -1 0 280.324 2.807 20 5 CFBDRM CC[C@H](CSC)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186084170 381819402 /nfs/dbraw/zinc/81/94/02/381819402.db2.gz GBFDBJVMNLCAHN-SECBINFHSA-N -1 0 298.364 2.514 20 5 CFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](C2CC2)C1 ZINC000365606979 382420614 /nfs/dbraw/zinc/42/06/14/382420614.db2.gz CELLSTDQYYWPIL-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM CCc1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)co1 ZINC000346659954 382459770 /nfs/dbraw/zinc/45/97/70/382459770.db2.gz JGGNFUPOQIYFPD-UHFFFAOYSA-N -1 0 279.227 2.537 20 5 CFBDRM O=C([O-])c1ccnc(N[C@H]2CC23CCCCC3)c1[N+](=O)[O-] ZINC000386875291 382593544 /nfs/dbraw/zinc/59/35/44/382593544.db2.gz DWELNLPASGUUIT-JTQLQIEISA-N -1 0 291.307 2.823 20 5 CFBDRM CC(C)CCOCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211462911 382775158 /nfs/dbraw/zinc/77/51/58/382775158.db2.gz RPNBVOJGQPNRMC-UHFFFAOYSA-N -1 0 296.323 2.768 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC2CC2)c1 ZINC000211885831 382775855 /nfs/dbraw/zinc/77/58/55/382775855.db2.gz QUJKWFCMPMJPTL-UHFFFAOYSA-N -1 0 250.254 2.505 20 5 CFBDRM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000217315803 382785887 /nfs/dbraw/zinc/78/58/87/382785887.db2.gz GCWISZLFLOYEHG-VWYCJHECSA-N -1 0 292.335 2.855 20 5 CFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@@H](C)C2(C)CC2)n1 ZINC000575318963 382758143 /nfs/dbraw/zinc/75/81/43/382758143.db2.gz BAALNVJVGBOQCS-VIFPVBQESA-N -1 0 293.323 2.621 20 5 CFBDRM C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](C)C1 ZINC000226654191 382830858 /nfs/dbraw/zinc/83/08/58/382830858.db2.gz QZSDVZIRZBKEJJ-SCVCMEIPSA-N -1 0 292.335 2.855 20 5 CFBDRM CO[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)C ZINC000576994701 382843793 /nfs/dbraw/zinc/84/37/93/382843793.db2.gz UXZYDJJOIMXAPA-NSHDSACASA-N -1 0 296.323 2.766 20 5 CFBDRM CCC(C)(CC)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236862423 382924674 /nfs/dbraw/zinc/92/46/74/382924674.db2.gz QIZWDEKZPYPGQX-UHFFFAOYSA-N -1 0 294.307 2.602 20 5 CFBDRM Cc1csc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000339083893 383143408 /nfs/dbraw/zinc/14/34/08/383143408.db2.gz CAZUENTUAJGLNN-SECBINFHSA-N -1 0 293.348 2.916 20 5 CFBDRM O=C([O-])c1cc(NC[C@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000567170221 383248120 /nfs/dbraw/zinc/24/81/20/383248120.db2.gz SVQBCSUPCCEHQZ-MRVPVSSYSA-N -1 0 262.265 2.505 20 5 CFBDRM CCCC[C@@H](Sc1ccc(N)cc1[N+](=O)[O-])C(=O)[O-] ZINC000567627571 383295877 /nfs/dbraw/zinc/29/58/77/383295877.db2.gz WQJTYYFNVHOKSB-LLVKDONJSA-N -1 0 284.337 2.913 20 5 CFBDRM C[C@@H](N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-])C1(C)CC1 ZINC000280857896 195004353 /nfs/dbraw/zinc/00/43/53/195004353.db2.gz AXXYFMIYXMWJAD-SECBINFHSA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@@H](O)CCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000570216432 383582551 /nfs/dbraw/zinc/58/25/51/383582551.db2.gz QMGKWDLIYDDXMK-LLVKDONJSA-N -1 0 296.323 2.564 20 5 CFBDRM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281151623 296352940 /nfs/dbraw/zinc/35/29/40/296352940.db2.gz KZZBXQWPCNDYBT-ZYHUDNBSSA-N -1 0 292.335 2.951 20 5 CFBDRM C[C@]1(C(=O)[O-])CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263441909 383666519 /nfs/dbraw/zinc/66/65/19/383666519.db2.gz XHARQPZWPVJMQN-LBPRGKRZSA-N -1 0 284.699 2.549 20 5 CFBDRM Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000436674985 383871668 /nfs/dbraw/zinc/87/16/68/383871668.db2.gz SPCBJHAIYXXZKW-UHFFFAOYSA-N -1 0 292.316 2.600 20 5 CFBDRM C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000573445704 383930718 /nfs/dbraw/zinc/93/07/18/383930718.db2.gz QWGOMEXVMKYPTA-IUCAKERBSA-N -1 0 298.726 2.795 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](CC2CC2)C1 ZINC000436724802 383883438 /nfs/dbraw/zinc/88/34/38/383883438.db2.gz UXEPJGLQNOFUHL-LLVKDONJSA-N -1 0 290.319 2.563 20 5 CFBDRM CC(C)C(C)(C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000438419844 384000608 /nfs/dbraw/zinc/00/06/08/384000608.db2.gz QCQUXKLMPGRBOF-UHFFFAOYSA-N -1 0 280.324 2.712 20 5 CFBDRM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272613649 385575788 /nfs/dbraw/zinc/57/57/88/385575788.db2.gz WVPXFCSVDGPZNQ-MWLCHTKSSA-N -1 0 278.308 2.704 20 5 CFBDRM CCOC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC000286210662 385572578 /nfs/dbraw/zinc/57/25/78/385572578.db2.gz WXJMBADGGOPVGX-UHFFFAOYSA-N -1 0 294.307 2.588 20 5 CFBDRM C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000272646564 385581591 /nfs/dbraw/zinc/58/15/91/385581591.db2.gz FPDQWUBLPGSAMR-WDEREUQCSA-N -1 0 292.335 2.809 20 5 CFBDRM CSCC[C@@H](C)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272701361 385591849 /nfs/dbraw/zinc/59/18/49/385591849.db2.gz UOFGKFUEQBUOGD-SECBINFHSA-N -1 0 298.364 2.514 20 5 CFBDRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269277644 132148276 /nfs/dbraw/zinc/14/82/76/132148276.db2.gz JTOZZOSMYQSOLR-HZMBPMFUSA-N -1 0 292.335 2.951 20 5 CFBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1n[nH]c(=O)[n-]1 ZINC000194631641 393710833 /nfs/dbraw/zinc/71/08/33/393710833.db2.gz OQCJQBAFBFZABK-SSDOTTSWSA-N -1 0 280.309 2.580 20 5 CFBDRM CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000194746132 393715680 /nfs/dbraw/zinc/71/56/80/393715680.db2.gz FILFIXMKDLMWIN-SNVBAGLBSA-N -1 0 278.308 2.563 20 5 CFBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccc1O ZINC000227042714 393772034 /nfs/dbraw/zinc/77/20/34/393772034.db2.gz ULKKPVOJRIVQSJ-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM CN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436942409 394037510 /nfs/dbraw/zinc/03/75/10/394037510.db2.gz ICRKCLKNVHWZLF-UHFFFAOYSA-N -1 0 292.316 2.634 20 5 CFBDRM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970129 394039371 /nfs/dbraw/zinc/03/93/71/394039371.db2.gz BZOLUGRQNCFNJA-ZJUUUORDSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000354607586 394048243 /nfs/dbraw/zinc/04/82/43/394048243.db2.gz ARSZOUBTBCDRIO-JTQLQIEISA-N -1 0 292.335 2.809 20 5 CFBDRM C[C@H]1CC[C@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436879689 394031444 /nfs/dbraw/zinc/03/14/44/394031444.db2.gz YHJULSSDCHTIHS-ONGXEEELSA-N -1 0 278.308 2.561 20 5 CFBDRM C[C@@H](C1CCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436910110 394034025 /nfs/dbraw/zinc/03/40/25/394034025.db2.gz QDLJBSFEBXCTPT-VIFPVBQESA-N -1 0 278.308 2.561 20 5 CFBDRM CC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420949348 394135472 /nfs/dbraw/zinc/13/54/72/394135472.db2.gz FLHVKNPKOMIYHE-KBPBESRZSA-N -1 0 294.351 2.690 20 5 CFBDRM O=C([O-])c1cc(NC[C@H]2CCCS2)ccc1[N+](=O)[O-] ZINC000149999907 394250222 /nfs/dbraw/zinc/25/02/22/394250222.db2.gz OWWFHDZEMDRTDM-SECBINFHSA-N -1 0 282.321 2.601 20 5 CFBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585018 134906279 /nfs/dbraw/zinc/90/62/79/134906279.db2.gz OAIIRMAWXJMGET-GFCCVEGCSA-N -1 0 292.335 2.984 20 5 CFBDRM CC1(C)CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160337978 394366563 /nfs/dbraw/zinc/36/65/63/394366563.db2.gz YQQZCGYDXUWFQC-UHFFFAOYSA-N -1 0 278.308 2.563 20 5 CFBDRM CC(C)c1nc(=NCCc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000548382958 394926064 /nfs/dbraw/zinc/92/60/64/394926064.db2.gz NTJHQAKJMRFJRA-UHFFFAOYSA-N -1 0 292.364 2.646 20 5 CFBDRM O=C(NC/C=C/c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356572042 155306492 /nfs/dbraw/zinc/30/64/92/155306492.db2.gz CAGBQJRUECZKBK-QPJJXVBHSA-N -1 0 298.298 2.744 20 5 CFBDRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281151610 299773331 /nfs/dbraw/zinc/77/33/31/299773331.db2.gz KZZBXQWPCNDYBT-JQWIXIFHSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000408161885 157382497 /nfs/dbraw/zinc/38/24/97/157382497.db2.gz QRCWGVKVXRSNCO-PHIMTYICSA-N -1 0 290.319 2.563 20 5 CFBDRM C[C@H]1CCCC[C@]1(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000457234735 299814307 /nfs/dbraw/zinc/81/43/07/299814307.db2.gz BCAWSBLGDDJMKL-BONVTDFDSA-N -1 0 292.335 2.999 20 5 CFBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000006368829 170195493 /nfs/dbraw/zinc/19/54/93/170195493.db2.gz HLYICCVLXQOBBJ-UHFFFAOYSA-N -1 0 296.279 2.535 20 5 CFBDRM O=C([O-])CCCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000020474582 171218528 /nfs/dbraw/zinc/21/85/28/171218528.db2.gz SSPRPVCKRIBYCE-UHFFFAOYSA-N -1 0 272.688 2.915 20 5 CFBDRM CC(C)[C@H](C)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000037504806 173239742 /nfs/dbraw/zinc/23/97/42/173239742.db2.gz BDUXKUBHUKJPKY-VIFPVBQESA-N -1 0 266.297 2.774 20 5 CFBDRM O=C([O-])C1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000037561801 173272599 /nfs/dbraw/zinc/27/25/99/173272599.db2.gz RHQKJUDONPZDIW-UHFFFAOYSA-N -1 0 264.281 2.650 20 5 CFBDRM CC(C)[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000043441530 175045868 /nfs/dbraw/zinc/04/58/68/175045868.db2.gz WWZORAWTJVVXKV-LBPRGKRZSA-N -1 0 289.291 2.664 20 5 CFBDRM C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000071209759 176082165 /nfs/dbraw/zinc/08/21/65/176082165.db2.gz ZERVOPCSHKKFSN-LDYMZIIASA-N -1 0 264.281 2.894 20 5 CFBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000220977741 270254947 /nfs/dbraw/zinc/25/49/47/270254947.db2.gz IALIADSZYLXSHM-SNVBAGLBSA-N -1 0 286.287 2.791 20 5 CFBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000184577784 262287354 /nfs/dbraw/zinc/28/73/54/262287354.db2.gz WKTALEVDIRFOPM-UHFFFAOYSA-N -1 0 272.260 2.577 20 5 CFBDRM Cc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000004720970 270223742 /nfs/dbraw/zinc/22/37/42/270223742.db2.gz NKVGAGKVJRUBJZ-UHFFFAOYSA-N -1 0 288.259 2.567 20 5 CFBDRM CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCC1 ZINC000325205901 270298868 /nfs/dbraw/zinc/29/88/68/270298868.db2.gz IZVFOQMTXPIIPT-GFCCVEGCSA-N -1 0 292.335 2.999 20 5 CFBDRM CC(C)C[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160184203 279212238 /nfs/dbraw/zinc/21/22/38/279212238.db2.gz LUCMGHPXGYSKPI-GFCCVEGCSA-N -1 0 292.335 2.951 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc21 ZINC000130364589 280703237 /nfs/dbraw/zinc/70/32/37/280703237.db2.gz AKJHXYIFGAAJEW-UHFFFAOYSA-N -1 0 284.271 2.503 20 5 CFBDRM CC1(C)CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000219044376 280932775 /nfs/dbraw/zinc/93/27/75/280932775.db2.gz IHPOHXZDUZHRBF-VIFPVBQESA-N -1 0 278.308 2.609 20 5 CFBDRM C[C@H]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000228072463 280936014 /nfs/dbraw/zinc/93/60/14/280936014.db2.gz FOUOFNQAZOXWFF-UWVGGRQHSA-N -1 0 278.308 2.609 20 5 CFBDRM CC1(C)CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000137806536 280954194 /nfs/dbraw/zinc/95/41/94/280954194.db2.gz PRKPYTNQGQZTQM-ZDUSSCGKSA-N -1 0 292.335 2.999 20 5 CFBDRM Cc1cc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000398759661 281208462 /nfs/dbraw/zinc/20/84/62/281208462.db2.gz HCAWRDITUPSJNR-WPRPVWTQSA-N -1 0 296.298 2.589 20 5 CFBDRM CC[C@H](C)[C@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000433410568 281234022 /nfs/dbraw/zinc/23/40/22/281234022.db2.gz NUHFPWGJQHYZCQ-UWVGGRQHSA-N -1 0 290.323 2.913 20 5 CFBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1(C)CCCC1 ZINC000428672145 288921732 /nfs/dbraw/zinc/92/17/32/288921732.db2.gz QSXHOSBQOOEACG-UHFFFAOYSA-N -1 0 278.308 2.705 20 5 CFBDRM O=C([O-])c1cc(NC[C@@H]2CCCCS2)ccc1[N+](=O)[O-] ZINC000156462594 289938890 /nfs/dbraw/zinc/93/88/90/289938890.db2.gz JEKHGGQBVWJKNZ-JTQLQIEISA-N -1 0 296.348 2.991 20 5 CFBDRM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCS1 ZINC000157607149 289959186 /nfs/dbraw/zinc/95/91/86/289959186.db2.gz ZGOOAHVRMMIEHG-SNVBAGLBSA-N -1 0 296.348 2.625 20 5 CFBDRM CC/C=C\CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000563206812 290117617 /nfs/dbraw/zinc/11/76/17/290117617.db2.gz IJWOLKATAISKEJ-ARJAWSKDSA-N -1 0 264.281 2.600 20 5 CFBDRM Cc1cc(N(C)CC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563206839 290117799 /nfs/dbraw/zinc/11/77/99/290117799.db2.gz OOYAGRLGCZWQRE-UHFFFAOYSA-N -1 0 266.297 2.694 20 5 CFBDRM C[C@@H]1C[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000563213836 290119012 /nfs/dbraw/zinc/11/90/12/290119012.db2.gz JAMKMRPXZPYRKQ-KKZNHRDASA-N -1 0 294.307 2.518 20 5 CFBDRM O=C([O-])c1cc(N2CC[C@H](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000563213769 290119093 /nfs/dbraw/zinc/11/90/93/290119093.db2.gz GFCPRDHZRPHDGB-LLVKDONJSA-N -1 0 290.319 2.919 20 5 CFBDRM C[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000565034986 290261757 /nfs/dbraw/zinc/26/17/57/290261757.db2.gz KLSDPEABYFVHID-ZCFIWIBFSA-N -1 0 292.213 2.903 20 5 CFBDRM CSCCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566012448 290341346 /nfs/dbraw/zinc/34/13/46/290341346.db2.gz FNLFNBBPJJYMGE-UHFFFAOYSA-N -1 0 298.364 2.791 20 5 CFBDRM CCC[C@@H](C)N(C)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566295684 290368170 /nfs/dbraw/zinc/36/81/70/290368170.db2.gz UZTFGSIQTKMJKT-SECBINFHSA-N -1 0 281.312 2.621 20 5 CFBDRM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc(C(=O)[O-])cc1 ZINC000058819674 294183627 /nfs/dbraw/zinc/18/36/27/294183627.db2.gz LFPOCTZVBFOKJF-UHFFFAOYSA-N -1 0 297.270 2.847 20 5 CFBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263295852 297343898 /nfs/dbraw/zinc/34/38/98/297343898.db2.gz ZNOLOMDWWQNJHN-BDAKNGLRSA-N -1 0 298.726 2.795 20 5 CFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC2(CCC2)CC1 ZINC000308732796 304551795 /nfs/dbraw/zinc/55/17/95/304551795.db2.gz VJJRAWQSHPAPJG-UHFFFAOYSA-N -1 0 290.319 2.707 20 5 CFBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000153360428 299960234 /nfs/dbraw/zinc/96/02/34/299960234.db2.gz XWGYBENIMKDRSW-UWVGGRQHSA-N -1 0 278.308 2.561 20 5 CFBDRM CCC[C@@H](CC)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162410754 322364161 /nfs/dbraw/zinc/36/41/61/322364161.db2.gz BVOHOQRIWUKERN-SECBINFHSA-N -1 0 267.285 2.679 20 5 CFBDRM CC[C@H](C)[C@@H](C)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166709459 322387558 /nfs/dbraw/zinc/38/75/58/322387558.db2.gz BNPKJNKZAWKCGZ-JGVFFNPUSA-N -1 0 267.285 2.535 20 5 CFBDRM CCC1(CC)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166808394 322387635 /nfs/dbraw/zinc/38/76/35/322387635.db2.gz VKXTWBOTXPRUFF-UHFFFAOYSA-N -1 0 293.323 2.705 20 5 CFBDRM CCC(O)(CC)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572647161 322626530 /nfs/dbraw/zinc/62/65/30/322626530.db2.gz CHPFSTJXYPPYCP-UHFFFAOYSA-N -1 0 296.323 2.564 20 5 CFBDRM CCC[C@H]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000574881724 322709755 /nfs/dbraw/zinc/70/97/55/322709755.db2.gz VKGXFJKIBVROMS-JTQLQIEISA-N -1 0 293.323 2.705 20 5 CFBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(Cl)ccn1 ZINC000182089003 323841672 /nfs/dbraw/zinc/84/16/72/323841672.db2.gz FPDKOTLXWIQYKD-UHFFFAOYSA-N -1 0 293.666 2.601 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCS2)c1 ZINC000211905702 324110163 /nfs/dbraw/zinc/11/01/63/324110163.db2.gz CMCBXTXXXCQRCO-SECBINFHSA-N -1 0 282.321 2.601 20 5 CFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC(F)(F)F)c1 ZINC000211894524 324110522 /nfs/dbraw/zinc/11/05/22/324110522.db2.gz LPXAPMKDFWEGFS-UHFFFAOYSA-N -1 0 278.186 2.657 20 5 CFBDRM C[C@@H]1CCC[C@H](N(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000387073496 324487103 /nfs/dbraw/zinc/48/71/03/324487103.db2.gz RCJZXSQERADYLK-ZJUUUORDSA-N -1 0 293.323 2.703 20 5 CFBDRM CSC1(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000577875250 324792131 /nfs/dbraw/zinc/79/21/31/324792131.db2.gz ULEMAXZSYJWQTI-UHFFFAOYSA-N -1 0 296.348 2.909 20 5 CFBDRM CCC[C@@H]1C[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000582184034 325183803 /nfs/dbraw/zinc/18/38/03/325183803.db2.gz JRTVIJLYLIFARS-ZYHUDNBSSA-N -1 0 278.308 2.822 20 5 CFBDRM CC(C)(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000302568886 519217424 /nfs/dbraw/zinc/21/74/24/519217424.db2.gz OPRZWXVVQITVLM-UHFFFAOYSA-N -1 0 270.260 2.647 20 5 CFBDRM