smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000000704857 203944241 /nfs/dbraw/zinc/94/42/41/203944241.db2.gz TWKSTZOLEUXIRC-NVNXTCNLSA-N 0 0 358.737 3.601 50 5 FHBARN O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000866264 203958945 /nfs/dbraw/zinc/95/89/45/203958945.db2.gz UPBDWJPTTBDHGM-UHFFFAOYSA-N 0 0 370.430 3.975 50 5 FHBARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001067252 203979728 /nfs/dbraw/zinc/97/97/28/203979728.db2.gz NTVIJDIIIMRWAY-UHFFFAOYSA-N 0 0 356.668 3.822 50 5 FHBARN CCOc1ccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000829664 203955785 /nfs/dbraw/zinc/95/57/85/203955785.db2.gz CMPBQHPWNGWKQZ-MHWRWJLKSA-N 0 0 352.346 3.646 50 5 FHBARN COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000002450775 204039903 /nfs/dbraw/zinc/03/99/03/204039903.db2.gz HXAGZZNWVBEWPW-UHFFFAOYSA-N 0 0 356.407 3.691 50 5 FHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000010254472 204001766 /nfs/dbraw/zinc/00/17/66/204001766.db2.gz RRZXVCLLUFNQPC-UHFFFAOYSA-N 0 0 353.378 3.848 50 5 FHBARN Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)Nc1ccncc1 ZINC000001395825 204002896 /nfs/dbraw/zinc/00/28/96/204002896.db2.gz LAOGSQOCLXIOLE-UHFFFAOYSA-N 0 0 365.776 3.950 50 5 FHBARN O=[N+]([O-])c1cccc(CSc2ncc(CO)n2Cc2ccc(F)cc2)c1 ZINC000010336417 204012422 /nfs/dbraw/zinc/01/24/22/204012422.db2.gz RXQKRKKSBOSMJL-UHFFFAOYSA-N 0 0 373.409 3.763 50 5 FHBARN O=C(Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1 ZINC000001815156 204021654 /nfs/dbraw/zinc/02/16/54/204021654.db2.gz DXMOGEJVRGLJCT-UHFFFAOYSA-N 0 0 355.379 3.681 50 5 aggregator FHBARN O=c1cc(-c2ccc3c(c2)OCCCCO3)oc2ccc([N+](=O)[O-])cc12 ZINC000002090482 204025987 /nfs/dbraw/zinc/02/59/87/204025987.db2.gz RNTGRZFKALLLRA-UHFFFAOYSA-N 0 0 353.330 3.920 50 5 FHBARN CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000002089771 204026604 /nfs/dbraw/zinc/02/66/04/204026604.db2.gz VMPCIDRQNKPLOS-UHFFFAOYSA-N 0 0 374.418 3.964 50 5 FHBARN CC(C)Cn1cnc2c(c3nc4ccccc4nc3n2Cc2ccco2)c1=O ZINC000002246913 204029704 /nfs/dbraw/zinc/02/97/04/204029704.db2.gz AAPLPZXSFMVVGO-UHFFFAOYSA-N 0 0 373.416 3.592 50 5 FHBARN Cc1ccccc1N[C@H]1SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000002297343 204032852 /nfs/dbraw/zinc/03/28/52/204032852.db2.gz UBNLKGXHDDNXKQ-HNNXBMFYSA-N 0 0 357.391 3.537 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1C1=N/C(=C/c2cccc(Cl)c2)C(=O)O1 ZINC000002930656 204069503 /nfs/dbraw/zinc/06/95/03/204069503.db2.gz BFQKABYZZHJPAZ-RIYZIHGNSA-N 0 0 358.737 3.601 50 5 FHBARN CCOCCCNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000003337111 204092123 /nfs/dbraw/zinc/09/21/23/204092123.db2.gz TUDHHLFZVLYFEL-UHFFFAOYSA-N 0 0 360.435 3.902 50 5 FHBARN Cc1cc(=O)oc2cc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc12 ZINC000003069578 204076405 /nfs/dbraw/zinc/07/64/05/204076405.db2.gz KIAOZXSJXVAKBV-VMPITWQZSA-N 0 0 351.314 3.628 50 5 FHBARN COc1ccccc1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000003196959 204081235 /nfs/dbraw/zinc/08/12/35/204081235.db2.gz PZTJAKRVBIGUNF-RMKNXTFCSA-N 0 0 364.304 3.857 50 5 FHBARN COCCOc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003180765 204081273 /nfs/dbraw/zinc/08/12/73/204081273.db2.gz VHCFQSDVOKPIPY-UHFFFAOYSA-N 0 0 350.758 3.526 50 5 FHBARN C[C@@H](Sc1ncnc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003288393 204088007 /nfs/dbraw/zinc/08/80/07/204088007.db2.gz OIVJIFQYALEGNO-LLVKDONJSA-N 0 0 354.391 3.657 50 5 FHBARN O=C(Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)c1ccco1 ZINC000002764361 204055551 /nfs/dbraw/zinc/05/55/51/204055551.db2.gz ASFWVWSCOVPZKK-UHFFFAOYSA-N 0 0 362.235 3.719 50 5 FHBARN O=Cc1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002767060 204055845 /nfs/dbraw/zinc/05/58/45/204055845.db2.gz NIZREDAIKDGQCW-UHFFFAOYSA-N 0 0 367.111 3.870 50 5 FHBARN O=[N+]([O-])c1ccccc1-c1ccc(NC(=S)NC[C@H]2CCCO2)cc1 ZINC000002777689 204057033 /nfs/dbraw/zinc/05/70/33/204057033.db2.gz UWNALLYHXSQLBG-OAHLLOKOSA-N 0 0 357.435 3.727 50 5 FHBARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000002819358 204060990 /nfs/dbraw/zinc/06/09/90/204060990.db2.gz CZXHJFADSTUKKP-UHFFFAOYSA-N 0 0 371.393 3.984 50 5 FHBARN CCn1c(=O)c2ccccc2nc1SCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000002863167 204064006 /nfs/dbraw/zinc/06/40/06/204064006.db2.gz BINYMLABRGZJPI-UHFFFAOYSA-N 0 0 371.418 3.626 50 5 FHBARN CCCCOC(=O)c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 ZINC000003879041 204113463 /nfs/dbraw/zinc/11/34/63/204113463.db2.gz VNUGUYUXBWUWFR-UHFFFAOYSA-N 0 0 356.338 3.832 50 5 FHBARN COc1ccc(C2=N/C(=C/c3cccc(Cl)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000003338586 204092919 /nfs/dbraw/zinc/09/29/19/204092919.db2.gz IDBBJXNARNUMRX-MDWZMJQESA-N 0 0 358.737 3.601 50 5 FHBARN O=C(Cc1ccc(Br)cc1)OCc1cccc([N+](=O)[O-])c1 ZINC000003361389 204095674 /nfs/dbraw/zinc/09/56/74/204095674.db2.gz GGRBLDIURQJFAU-UHFFFAOYSA-N 0 0 350.168 3.643 50 5 FHBARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)o1 ZINC000003464228 204103407 /nfs/dbraw/zinc/10/34/07/204103407.db2.gz SHYFCOHYJKJKMN-SNVBAGLBSA-N 0 0 366.757 3.642 50 5 FHBARN COc1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004644262 204152167 /nfs/dbraw/zinc/15/21/67/204152167.db2.gz PXGCMBWDVNHOCD-OTLSHVCWSA-N 0 0 350.330 3.504 50 5 FHBARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000004699983 204156504 /nfs/dbraw/zinc/15/65/04/204156504.db2.gz QXNLMDKURHHCSY-UHFFFAOYSA-N 0 0 370.390 3.684 50 5 FHBARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000004700824 204156778 /nfs/dbraw/zinc/15/67/78/204156778.db2.gz HHIHKKBGSMZQMI-UHFFFAOYSA-N 0 0 357.366 3.594 50 5 FHBARN O=[N+]([O-])c1ccc(Cc2nc(-c3ccc(Br)o3)no2)cc1 ZINC000004771014 204163490 /nfs/dbraw/zinc/16/34/90/204163490.db2.gz YYJCKUPESBOPSQ-UHFFFAOYSA-N 0 0 350.128 3.591 50 5 FHBARN Cc1c(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cccc1[N+](=O)[O-] ZINC000004320752 204132638 /nfs/dbraw/zinc/13/26/38/204132638.db2.gz LKPRUJRZMGAVDC-UHFFFAOYSA-N 0 0 359.407 3.767 50 5 FHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc2cccnc21 ZINC000004320452 204133367 /nfs/dbraw/zinc/13/33/67/204133367.db2.gz BLRTYDHJGGRIQC-UHFFFAOYSA-N 0 0 369.402 3.882 50 5 FHBARN CNc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000004509211 204143357 /nfs/dbraw/zinc/14/33/57/204143357.db2.gz YSSXAPQLMOXHDG-CYBMUJFWSA-N 0 0 356.378 3.682 50 5 FHBARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004559963 204147321 /nfs/dbraw/zinc/14/73/21/204147321.db2.gz BCEXVFKEAQSYFV-ZCFIWIBFSA-N 0 0 362.194 3.764 50 5 FHBARN CCSc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000005450288 204209920 /nfs/dbraw/zinc/20/99/20/204209920.db2.gz DRKAMGZUGJQPFD-UHFFFAOYSA-N 0 0 370.481 3.598 50 5 FHBARN Cc1ccc(-c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc1 ZINC000005557322 204214849 /nfs/dbraw/zinc/21/48/49/204214849.db2.gz DKYNYXUTNGGAHI-UHFFFAOYSA-N 0 0 351.391 3.520 50 5 FHBARN Cc1c(C(=O)NC(C)(C)C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931079 204176628 /nfs/dbraw/zinc/17/66/28/204176628.db2.gz AKUOAJDZSLMVMV-UHFFFAOYSA-N 0 0 358.423 3.808 50 5 FHBARN COc1cc(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])c(OC)cc1Cl ZINC000004937525 204178641 /nfs/dbraw/zinc/17/86/41/204178641.db2.gz XDCXURCXZDAGCO-UHFFFAOYSA-N 0 0 369.761 3.629 50 5 FHBARN CCOc1ccc(Nc2nc(NCCC(C)C)nc(N)c2[N+](=O)[O-])cc1 ZINC000005025339 204184536 /nfs/dbraw/zinc/18/45/36/204184536.db2.gz FUJWKBBLDAXNEJ-UHFFFAOYSA-N 0 0 360.418 3.567 50 5 FHBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCc3ccccc3)n2)cc1C ZINC000005025628 204185355 /nfs/dbraw/zinc/18/53/55/204185355.db2.gz NLZMKRPYNNBFPO-UHFFFAOYSA-N 0 0 364.409 3.940 50 5 FHBARN Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)cc1 ZINC000005033151 204185640 /nfs/dbraw/zinc/18/56/40/204185640.db2.gz WBPPHVXAFJKWRW-UHFFFAOYSA-N 0 0 368.372 3.770 50 5 FHBARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1Cl ZINC000005028127 204186533 /nfs/dbraw/zinc/18/65/33/204186533.db2.gz UWKUFVOUCDVPFK-LBPRGKRZSA-N 0 0 373.796 3.548 50 5 FHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/C1=Cc2ccccc2OC1 ZINC000005034479 204186835 /nfs/dbraw/zinc/18/68/35/204186835.db2.gz QDDIUAONENHZAE-RMKNXTFCSA-N 0 0 352.346 3.574 50 5 FHBARN Cc1cccc(Nc2nc(N(C)c3ccccc3)nc(N)c2[N+](=O)[O-])c1 ZINC000005054834 204188114 /nfs/dbraw/zinc/18/81/14/204188114.db2.gz PYVKLPTULHGCFS-UHFFFAOYSA-N 0 0 350.382 3.787 50 5 FHBARN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC ZINC000005197434 204197904 /nfs/dbraw/zinc/19/79/04/204197904.db2.gz XNMQLFYRSAUREF-UHFFFAOYSA-N 0 0 366.757 3.526 50 5 FHBARN CSc1cccc(NC(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000005844001 204226675 /nfs/dbraw/zinc/22/66/75/204226675.db2.gz ANKZBLAXUAKVBZ-CMDGGOBGSA-N 0 0 372.402 3.512 50 5 FHBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCSc1ccccc1 ZINC000005930350 204230454 /nfs/dbraw/zinc/23/04/54/204230454.db2.gz YKBTUDXTWQNLMG-UHFFFAOYSA-N 0 0 359.451 3.573 50 5 FHBARN COc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000006119738 204238381 /nfs/dbraw/zinc/23/83/81/204238381.db2.gz VLHBYINWRPWHKG-UHFFFAOYSA-N 0 0 370.283 3.640 50 5 FHBARN COc1ccc(C2=N/C(=C/c3ccc(SC)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000006200063 204241008 /nfs/dbraw/zinc/24/10/08/204241008.db2.gz CZSAMAZNBBZBPO-NTEUORMPSA-N 0 0 370.386 3.670 50 5 FHBARN O=C(NCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000006269170 204243262 /nfs/dbraw/zinc/24/32/62/204243262.db2.gz ZNFKCLMTBIPKAB-UHFFFAOYSA-N 0 0 357.385 3.654 50 5 FHBARN O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000006430267 204248513 /nfs/dbraw/zinc/24/85/13/204248513.db2.gz PZGJHOXGCXHHBF-UHFFFAOYSA-N 0 0 372.421 3.683 50 5 FHBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000006520612 204252158 /nfs/dbraw/zinc/25/21/58/204252158.db2.gz HZOROHZGJBVODB-INIZCTEOSA-N 0 0 368.433 3.843 50 5 FHBARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006549991 204253119 /nfs/dbraw/zinc/25/31/19/204253119.db2.gz BKPYRBOGBCHVNL-UHFFFAOYSA-N 0 0 353.330 3.791 50 5 FHBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1CC(F)(F)F ZINC000006948328 204283451 /nfs/dbraw/zinc/28/34/51/204283451.db2.gz WQLRMHCVAWCXKJ-UHFFFAOYSA-N 0 0 356.300 3.837 50 5 FHBARN Cc1occc1-c1nnc(SCC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000007236458 204292701 /nfs/dbraw/zinc/29/27/01/204292701.db2.gz SKFXOIJOLHNJIP-UHFFFAOYSA-N 0 0 372.406 3.575 50 5 FHBARN O=C(CNc1cccc([N+](=O)[O-])c1)N[C@H](c1cccs1)c1ccccc1 ZINC000007339861 204294782 /nfs/dbraw/zinc/29/47/82/204294782.db2.gz ORHJCYIRLXDSCR-IBGZPJMESA-N 0 0 367.430 3.974 50 5 FHBARN CC(=O)N(c1nc(Cn2nc(C)c([N+](=O)[O-])c2C)cs1)c1ccccc1 ZINC000007391620 204297338 /nfs/dbraw/zinc/29/73/38/204297338.db2.gz LUCJCOUJUBCLRW-UHFFFAOYSA-N 0 0 371.422 3.598 50 5 FHBARN Cc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c1 ZINC000006786223 204270016 /nfs/dbraw/zinc/27/00/16/204270016.db2.gz QQDLCBPBRUSTEV-UHFFFAOYSA-N 0 0 369.299 3.678 50 5 FHBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1cccnc1 ZINC000006816673 204274240 /nfs/dbraw/zinc/27/42/40/204274240.db2.gz AKGSUGWOCKKHOO-ZHACJKMWSA-N 0 0 370.368 3.859 50 5 FHBARN COC(=O)c1c(C)c2ccccc2nc1COc1ccc(C)nc1[N+](=O)[O-] ZINC000006821314 204274880 /nfs/dbraw/zinc/27/48/80/204274880.db2.gz HJGPDWUHORMHQC-UHFFFAOYSA-N 0 0 367.361 3.520 50 5 FHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC=C(c2ccccc2)CC1 ZINC000007651346 204302180 /nfs/dbraw/zinc/30/21/80/204302180.db2.gz MZTOFZJXHMTASE-UHFFFAOYSA-N 0 0 351.406 3.631 50 5 FHBARN O=C(COc1ccccc1[N+](=O)[O-])OCc1ccccc1C(F)(F)F ZINC000007779596 204306361 /nfs/dbraw/zinc/30/63/61/204306361.db2.gz RVTMDPRLTKPNHK-UHFFFAOYSA-N 0 0 355.268 3.736 50 5 FHBARN O=C(N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000007814769 204308209 /nfs/dbraw/zinc/30/82/09/204308209.db2.gz SAYNVEWEURYTFT-OAHLLOKOSA-N 0 0 363.295 3.835 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc2ccccc21 ZINC000007955327 204312122 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CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000004079214 206168293 /nfs/dbraw/zinc/16/82/93/206168293.db2.gz ICWYQBXRWPGEDG-UHFFFAOYSA-N 0 0 354.409 3.764 50 5 FHBARN Cc1cccc(CC(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000004120129 206168510 /nfs/dbraw/zinc/16/85/10/206168510.db2.gz PIVGKZLSRLVBJR-UHFFFAOYSA-N 0 0 369.446 3.577 50 5 FHBARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004570457 206179864 /nfs/dbraw/zinc/17/98/64/206179864.db2.gz NSJRDKSRCPKNHZ-UHFFFAOYSA-N 0 0 367.814 3.538 50 5 FHBARN CCc1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000006552006 206202494 /nfs/dbraw/zinc/20/24/94/206202494.db2.gz JRCWYRJHLFONOK-UHFFFAOYSA-N 0 0 362.769 3.606 50 5 FHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1F ZINC000004387430 206238515 /nfs/dbraw/zinc/23/85/15/206238515.db2.gz YXIMRRHIKZGXNG-UHFFFAOYSA-N 0 0 353.147 3.678 50 5 FHBARN COc1ccc(Br)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000004842766 206239224 /nfs/dbraw/zinc/23/92/24/206239224.db2.gz 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Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000032789263 206513743 /nfs/dbraw/zinc/51/37/43/206513743.db2.gz FDVFYLHSUKXYRP-NSHDSACASA-N 0 0 372.352 3.750 50 5 FHBARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000005252276 132256552 /nfs/dbraw/zinc/25/65/52/132256552.db2.gz AZIQKOHGAKFFJK-UHFFFAOYSA-N 0 0 365.389 3.536 50 5 FHBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCCCC1=O ZINC000005441369 132257669 /nfs/dbraw/zinc/25/76/69/132257669.db2.gz YWPBNPIIJTYHLZ-UHFFFAOYSA-N 0 0 353.378 3.672 50 5 FHBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cn1 ZINC000002868535 132384139 /nfs/dbraw/zinc/38/41/39/132384139.db2.gz NOMKBJPDKQEBCC-UHFFFAOYSA-N 0 0 353.721 3.597 50 5 aggregator FHBARN C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1C(=O)c1ccccc1 ZINC000004188698 132823166 /nfs/dbraw/zinc/82/31/66/132823166.db2.gz LJMGFWJDFXHGMX-ZDUSSCGKSA-N 0 0 359.813 3.599 50 5 FHBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCSc2ccc(Cl)cc21 ZINC000058714822 136132011 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CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024925165 568263354 /nfs/dbraw/zinc/26/33/54/568263354.db2.gz BFJPQIOLBBPMQD-UHFFFAOYSA-N 0 0 360.320 3.612 50 5 FHBARN CCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000000829669 568313397 /nfs/dbraw/zinc/31/33/97/568313397.db2.gz CCIRVQIERFHOME-SXGWCWSVSA-N 0 0 372.764 3.991 50 5 FHBARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000000830414 568321405 /nfs/dbraw/zinc/32/14/05/568321405.db2.gz HOBGUFDAJXJWFF-UHFFFAOYSA-N 0 0 364.317 3.952 50 5 FHBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000000835692 568487848 /nfs/dbraw/zinc/48/78/48/568487848.db2.gz VXODXKQLDDALRK-UHFFFAOYSA-N 0 0 360.391 3.574 50 5 FHBARN COc1ccc(-c2cc(=O)c3c(ccc4c(C)cc(=O)oc43)o2)cc1OC ZINC000000688096 570450559 /nfs/dbraw/zinc/45/05/59/570450559.db2.gz ZONRZEKSTIASKQ-UHFFFAOYSA-N 0 0 364.353 3.892 50 5 FHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC000033628566 570571567 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O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nc(-c2cccc(Cl)c2)no1 ZINC000032854010 570821795 /nfs/dbraw/zinc/82/17/95/570821795.db2.gz FEEAMTLDOCYTPZ-UHFFFAOYSA-N 0 0 356.769 3.861 50 5 FHBARN CC(C)[C@@H](NC(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718527 570822320 /nfs/dbraw/zinc/82/23/20/570822320.db2.gz IWYLTHCPVPGTJG-CQSZACIVSA-N 0 0 372.406 3.833 50 5 FHBARN O=C(Nc1ccc2ccccc2n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032922843 570862823 /nfs/dbraw/zinc/86/28/23/570862823.db2.gz AQRCNKAYTCXWBB-UHFFFAOYSA-N 0 0 359.345 3.581 50 5 FHBARN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000006249190 570970377 /nfs/dbraw/zinc/97/03/77/570970377.db2.gz KCKFYNCXHRQOFR-UHFFFAOYSA-N 0 0 355.394 3.846 50 5 FHBARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000012680921 571043868 /nfs/dbraw/zinc/04/38/68/571043868.db2.gz SYKRFEWSWDINRG-CYBMUJFWSA-N 0 0 355.394 3.684 50 5 FHBARN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccs1 ZINC000008777725 571061540 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50 5 FHBARN O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000012814276 571115187 /nfs/dbraw/zinc/11/51/87/571115187.db2.gz RMARWXIFUBMOIN-UHFFFAOYSA-N 0 0 373.796 3.527 50 5 FHBARN O=[N+]([O-])c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000000898066 571123864 /nfs/dbraw/zinc/12/38/64/571123864.db2.gz VAWFROUUFJEQMM-UHFFFAOYSA-N 0 0 369.811 3.659 50 5 FHBARN O=C1NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cccc3Cl)cc21 ZINC000001046851 571144422 /nfs/dbraw/zinc/14/44/22/571144422.db2.gz VSEGRTGBLATJAW-UHFFFAOYSA-N 0 0 369.185 3.936 50 5 FHBARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000001053218 571144613 /nfs/dbraw/zinc/14/46/13/571144613.db2.gz DNZXDXLOFZLGAI-UHFFFAOYSA-N 0 0 367.405 3.910 50 5 FHBARN O=C(c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000001099240 571146140 /nfs/dbraw/zinc/14/61/40/571146140.db2.gz LLPSGXUCLFDPJU-UHFFFAOYSA-N 0 0 362.769 3.513 50 5 FHBARN O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001167872 571148711 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COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000001192004 571165588 /nfs/dbraw/zinc/16/55/88/571165588.db2.gz WUIFEWGROQFZNQ-UHFFFAOYSA-N 0 0 370.283 3.883 50 5 FHBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCc1ccccc1 ZINC000001211590 571166372 /nfs/dbraw/zinc/16/63/72/571166372.db2.gz XUPJHZWWIZCOST-UHFFFAOYSA-N 0 0 359.432 3.613 50 5 FHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1Cl ZINC000001215987 571166428 /nfs/dbraw/zinc/16/64/28/571166428.db2.gz RQFGEGZFYWFMJE-JXMROGBWSA-N 0 0 361.810 3.775 50 5 FHBARN Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(C)c1 ZINC000006266460 571168613 /nfs/dbraw/zinc/16/86/13/571168613.db2.gz UZIBZDPPMSMVKW-UHFFFAOYSA-N 0 0 373.840 3.827 50 5 FHBARN C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000012540495 571177165 /nfs/dbraw/zinc/17/71/65/571177165.db2.gz BMSXBBVBYPKRRC-VXGBXAGGSA-N 0 0 370.434 3.829 50 5 FHBARN O=C(Oc1ccc(C(=S)N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000013943761 571200358 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O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)C1CCCC1 ZINC000003008076 204073411 /nfs/dbraw/zinc/07/34/11/204073411.db2.gz RKERXNDZVIFXJV-UHFFFAOYSA-N 0 0 358.423 3.656 50 5 FHBARN O=C(Nc1ccc(Br)cn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000003107758 204077856 /nfs/dbraw/zinc/07/78/56/204077856.db2.gz KACYLXZPBJUHGP-UHFFFAOYSA-N 0 0 356.563 3.658 50 5 FHBARN CN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 ZINC000003273501 204087452 /nfs/dbraw/zinc/08/74/52/204087452.db2.gz CWNLVSYHBWUEQN-UHFFFAOYSA-N 0 0 359.432 3.960 50 5 FHBARN O=[N+]([O-])c1ccc(-c2nnc(NCc3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000002546599 204043729 /nfs/dbraw/zinc/04/37/29/204043729.db2.gz ILXBBFVEWBICNR-UHFFFAOYSA-N 0 0 357.351 3.634 50 5 FHBARN CC(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccc([N+](=O)[O-])cc1)c2=O ZINC000002576213 204045265 /nfs/dbraw/zinc/04/52/65/204045265.db2.gz QQFJOBXIGIQEQN-UHFFFAOYSA-N 0 0 355.302 3.727 50 5 biogenic FHBARN O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002737474 204053731 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CNIRVOJRACOJGK-UHFFFAOYSA-N 0 0 364.409 3.961 50 5 FHBARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004701594 204157062 /nfs/dbraw/zinc/15/70/62/204157062.db2.gz SDAJFACYEVDZGC-UHFFFAOYSA-N 0 0 359.407 3.509 50 5 FHBARN O=[N+]([O-])c1ccc(/C=C/c2nn3c(Cc4ccccc4)nnc3s2)cc1 ZINC000004742577 204160416 /nfs/dbraw/zinc/16/04/16/204160416.db2.gz ZTCSQKMMLJJVDZ-DHZHZOJOSA-N 0 0 363.402 3.855 50 5 FHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsc1NC(=O)c1cccnc1 ZINC000004750514 204161731 /nfs/dbraw/zinc/16/17/31/204161731.db2.gz QFGXOGFMNBFZNP-UHFFFAOYSA-N 0 0 368.374 3.556 50 5 FHBARN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 ZINC000004808397 204164842 /nfs/dbraw/zinc/16/48/42/204164842.db2.gz AHYXYKKMZLHQIP-SECBINFHSA-N 0 0 366.732 3.571 50 5 FHBARN CCCCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004844702 204169086 /nfs/dbraw/zinc/16/90/86/204169086.db2.gz CZXBZAACQYIDOC-UHFFFAOYSA-N 0 0 350.396 3.575 50 5 FHBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cccnc1 ZINC000004438701 204140062 /nfs/dbraw/zinc/14/00/62/204140062.db2.gz ORWSILVURDYEKF-FMIVXFBMSA-N 0 0 370.368 3.859 50 5 FHBARN Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CC(C)C ZINC000005346875 204204587 /nfs/dbraw/zinc/20/45/87/204204587.db2.gz IKBFUGWNQXFLSS-UHFFFAOYSA-N 0 0 373.456 3.880 50 5 FHBARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000005417179 204208666 /nfs/dbraw/zinc/20/86/66/204208666.db2.gz VMSCQOOUHXGKKS-JKIFEVAISA-N 0 0 363.410 3.756 50 5 FHBARN CC[C@@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000005476605 204211202 /nfs/dbraw/zinc/21/12/02/204211202.db2.gz QJFMHDKXSQXTSP-SNVBAGLBSA-N 0 0 373.434 3.522 50 5 FHBARN O=C(CSc1ncnc2ccccc21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005517149 204213962 /nfs/dbraw/zinc/21/39/62/204213962.db2.gz FGXXXABDOJVOFD-UHFFFAOYSA-N 0 0 374.809 3.922 50 5 FHBARN O=C(/C=C/c1c(Cl)nc2ccccn21)OCc1ccccc1[N+](=O)[O-] ZINC000005561623 204215806 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Cc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000002053582 204024487 /nfs/dbraw/zinc/02/44/87/204024487.db2.gz AKUFARDPERWASL-UHFFFAOYSA-N 0 0 358.335 3.673 50 5 FHBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCC3)c(-c3ccco3)nc21 ZINC000002208508 204029452 /nfs/dbraw/zinc/02/94/52/204029452.db2.gz VZXYCOFQEPVCRP-UHFFFAOYSA-N 0 0 361.401 3.624 50 5 FHBARN COc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1[N+](=O)[O-] ZINC000002309261 204032995 /nfs/dbraw/zinc/03/29/95/204032995.db2.gz NRTYBJMLWOASHG-JYRVWZFOSA-N 0 0 358.737 3.601 50 5 FHBARN O=[N+]([O-])c1cccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000002914438 204067722 /nfs/dbraw/zinc/06/77/22/204067722.db2.gz GQLSOLCBAXERMG-HZPDHXFCSA-N 0 0 355.785 3.986 50 5 FHBARN O=[N+]([O-])c1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c1 ZINC000002914435 204067746 /nfs/dbraw/zinc/06/77/46/204067746.db2.gz GQLSOLCBAXERMG-JKSUJKDBSA-N 0 0 355.785 3.986 50 5 FHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000003065051 204077303 /nfs/dbraw/zinc/07/73/03/204077303.db2.gz VEJHGYWXRHGDFY-AUWJEWJLSA-N 0 0 373.708 3.501 50 5 FHBARN O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000003124339 204079534 /nfs/dbraw/zinc/07/95/34/204079534.db2.gz BYTLJZQCTWNAGY-UHFFFAOYSA-N 0 0 350.161 3.660 50 5 FHBARN Cc1ccc(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000002796385 204058890 /nfs/dbraw/zinc/05/88/90/204058890.db2.gz NSINUGDDNLAQSY-UHFFFAOYSA-N 0 0 354.341 3.539 50 5 FHBARN O=C(Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1)c1ccco1 ZINC000002844997 204061864 /nfs/dbraw/zinc/06/18/64/204061864.db2.gz ZEXQJZAIPBCIEM-UHFFFAOYSA-N 0 0 366.329 3.797 50 5 FHBARN COCCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000002865294 204063733 /nfs/dbraw/zinc/06/37/33/204063733.db2.gz SSIWIVMEJXRHTA-UHFFFAOYSA-N 0 0 362.407 3.594 50 5 FHBARN COc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] ZINC000002872559 204064688 /nfs/dbraw/zinc/06/46/88/204064688.db2.gz LCJHMXDMAKVVQL-UHFFFAOYSA-N 0 0 374.740 3.559 50 5 FHBARN COc1ccc(C(C)=O)cc1COC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000003372040 204095942 /nfs/dbraw/zinc/09/59/42/204095942.db2.gz FJKRYXOIVWSHKJ-CSKARUKUSA-N 0 0 355.346 3.563 50 5 FHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000003421588 204099298 /nfs/dbraw/zinc/09/92/98/204099298.db2.gz ANLYIBKDFTXWPK-UHFFFAOYSA-N 0 0 370.361 3.654 50 5 FHBARN COc1cc(Cl)c(C)cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000003572511 204106651 /nfs/dbraw/zinc/10/66/51/204106651.db2.gz YQJZKTDIMWWRRY-UHFFFAOYSA-N 0 0 368.748 3.722 50 5 FHBARN Nc1c(C(=O)Nc2ccccc2)sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c12 ZINC000003617460 204108893 /nfs/dbraw/zinc/10/88/93/204108893.db2.gz XUUUXIPKMHJLDS-UHFFFAOYSA-N 0 0 358.335 3.552 50 5 FHBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000004590063 204149941 /nfs/dbraw/zinc/14/99/41/204149941.db2.gz YCJHDGWZUIZZGX-XXIJSILDSA-N 0 0 365.301 3.513 50 5 FHBARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc2c[nH]nc21 ZINC000004629489 204151846 /nfs/dbraw/zinc/15/18/46/204151846.db2.gz KAEURHVZLNJZIE-UHFFFAOYSA-N 0 0 350.256 3.742 50 5 FHBARN Cc1ccc(NC(=O)COc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000004817015 204165240 /nfs/dbraw/zinc/16/52/40/204165240.db2.gz VPHLAFKCYWYRNE-UHFFFAOYSA-N 0 0 365.183 3.683 50 5 FHBARN CCCSc1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004820529 204166295 /nfs/dbraw/zinc/16/62/95/204166295.db2.gz QLEDKTNWYOZXCN-UHFFFAOYSA-N 0 0 352.803 3.793 50 5 FHBARN COc1cc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000004819777 204166929 /nfs/dbraw/zinc/16/69/29/204166929.db2.gz WFTJXEQWANTPQJ-CMDGGOBGSA-N 0 0 372.377 3.581 50 5 FHBARN Cc1c(Nc2nc3ccc(Cl)cc3n3cnnc23)cccc1[N+](=O)[O-] ZINC000004835038 204168387 /nfs/dbraw/zinc/16/83/87/204168387.db2.gz LIYYWAHEFXZZDN-UHFFFAOYSA-N 0 0 354.757 3.891 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000004843249 204169425 /nfs/dbraw/zinc/16/94/25/204169425.db2.gz RPOARCLBDXAKGJ-NSHDSACASA-N 0 0 364.785 3.971 50 5 FHBARN Cc1nc(-c2ccccc2)sc1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004392440 204136932 /nfs/dbraw/zinc/13/69/32/204136932.db2.gz AYYZVHVSMQJJCE-UHFFFAOYSA-N 0 0 367.430 3.999 50 5 FHBARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004561069 204146986 /nfs/dbraw/zinc/14/69/86/204146986.db2.gz HVYHGHMGTFXVNI-UHFFFAOYSA-N 0 0 359.407 3.510 50 5 FHBARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000005446012 204210083 /nfs/dbraw/zinc/21/00/83/204210083.db2.gz JHWHGQXMPXAJBH-AWEZNQCLSA-N 0 0 351.406 3.786 50 5 FHBARN O=C(CSc1ncnc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005519451 204213533 /nfs/dbraw/zinc/21/35/33/204213533.db2.gz NKUADJKQTBGOLC-UHFFFAOYSA-N 0 0 374.809 3.922 50 5 FHBARN COc1cccc(Nc2nc(Nc3ccc(O)cc3)nc(C)c2[N+](=O)[O-])c1 ZINC000005587288 204216724 /nfs/dbraw/zinc/21/67/24/204216724.db2.gz XIDWQJYEDUBXRA-UHFFFAOYSA-N 0 0 367.365 3.895 50 5 FHBARN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)o1 ZINC000004866313 204170905 /nfs/dbraw/zinc/17/09/05/204170905.db2.gz 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CCCCOC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000005637506 204219557 /nfs/dbraw/zinc/21/95/57/204219557.db2.gz QXMIABLDIBLFDU-UHFFFAOYSA-N 0 0 372.377 3.569 50 5 FHBARN CN(Cc1ccccc1)C(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005688563 204221317 /nfs/dbraw/zinc/22/13/17/204221317.db2.gz RUGXGRCQQASASE-UHFFFAOYSA-N 0 0 367.327 3.684 50 5 FHBARN O=C(Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000005873123 204228688 /nfs/dbraw/zinc/22/86/88/204228688.db2.gz RMRZLIBWDMKJCW-UHFFFAOYSA-N 0 0 374.759 3.884 50 5 FHBARN Cc1ccc(OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c([N+](=O)[O-])n1 ZINC000005970044 204232124 /nfs/dbraw/zinc/23/21/24/204232124.db2.gz HGVJTFLGMGUGMT-CYBMUJFWSA-N 0 0 373.434 3.595 50 5 FHBARN CCOc1ccc(CN(C)CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000006649354 204258274 /nfs/dbraw/zinc/25/82/74/204258274.db2.gz KUIIFEUPUGLJQH-UHFFFAOYSA-N 0 0 371.437 3.681 50 5 FHBARN Cc1ccc(NC(=O)CNc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000006508511 204250575 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Cc1nnc(SCCOc2ccccc2[N+](=O)[O-])n1Cc1ccccc1 ZINC000053433082 205194357 /nfs/dbraw/zinc/19/43/57/205194357.db2.gz RCUWCZVTXFOLTH-UHFFFAOYSA-N 0 0 370.434 3.714 50 5 FHBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000058166931 205252359 /nfs/dbraw/zinc/25/23/59/205252359.db2.gz BCURGOCQCCPOBJ-KRWDZBQOSA-N 0 0 374.462 3.689 50 5 FHBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCCSc1ccccc1 ZINC000058017690 205246962 /nfs/dbraw/zinc/24/69/62/205246962.db2.gz RXGNSQXQFYUYDA-UHFFFAOYSA-N 0 0 369.446 3.848 50 5 FHBARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2OC)no1 ZINC000064984874 205313363 /nfs/dbraw/zinc/31/33/63/205313363.db2.gz OZNOPUQETOLICJ-INIZCTEOSA-N 0 0 374.397 3.913 50 5 FHBARN CN(Cc1ccc(Cl)s1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065719094 205361443 /nfs/dbraw/zinc/36/14/43/205361443.db2.gz OAHGLFKKIVVEIB-UHFFFAOYSA-N 0 0 363.826 3.923 50 5 FHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000067556401 205375354 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Cc1cccc(CSC2=NCCN2C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000004120214 206167973 /nfs/dbraw/zinc/16/79/73/206167973.db2.gz DVEBZHRQDNQPCI-UHFFFAOYSA-N 0 0 355.419 3.648 50 5 FHBARN CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(Cl)s1 ZINC000004176841 206170420 /nfs/dbraw/zinc/17/04/20/206170420.db2.gz QXBPLLXVOWZUNA-UHFFFAOYSA-N 0 0 360.800 3.800 50 5 FHBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)NCCC(C)C)cc1 ZINC000005142701 206190378 /nfs/dbraw/zinc/19/03/78/206190378.db2.gz JAUHRHSPTDHAGL-UHFFFAOYSA-N 0 0 372.421 3.812 50 5 FHBARN COc1ccc(-c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)nn1 ZINC000005259545 206191029 /nfs/dbraw/zinc/19/10/29/206191029.db2.gz MGERYRLEXJIBCE-UHFFFAOYSA-N 0 0 364.361 3.621 50 5 FHBARN O=C(Nc1nnc(Cc2ccccc2)s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004596735 206179684 /nfs/dbraw/zinc/17/96/84/206179684.db2.gz KSGCOKBWLVZQRK-UHFFFAOYSA-N 0 0 355.379 3.681 50 5 FHBARN COCCNc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000004757939 206181326 /nfs/dbraw/zinc/18/13/26/206181326.db2.gz POHHMCCCBNGOGW-UHFFFAOYSA-N 0 0 363.801 3.867 50 5 FHBARN Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2C[C@@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006639691 206204410 /nfs/dbraw/zinc/20/44/10/206204410.db2.gz REZSXRRNSDMTOD-JCKWVBRZSA-N 0 0 368.389 3.782 50 5 FHBARN O=C(CSc1ccc(-c2ccccc2)nn1)Nc1ccccc1[N+](=O)[O-] ZINC000005410498 206195666 /nfs/dbraw/zinc/19/56/66/206195666.db2.gz NHYDEYXMPXGDPO-UHFFFAOYSA-N 0 0 366.402 3.783 50 5 FHBARN O=C(COc1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000005684265 206197187 /nfs/dbraw/zinc/19/71/87/206197187.db2.gz LXKSCRHOMPFVJD-UHFFFAOYSA-N 0 0 355.375 3.736 50 5 FHBARN CCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003173253 206233646 /nfs/dbraw/zinc/23/36/46/206233646.db2.gz VNFZVHHRTWDUTR-UHFFFAOYSA-N 0 0 354.771 3.739 50 5 FHBARN COc1ccc(Br)cc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004695559 206237553 /nfs/dbraw/zinc/23/75/53/206237553.db2.gz XPEAEAOOIRATKB-UHFFFAOYSA-N 0 0 351.156 3.618 50 5 FHBARN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)ccc1Cl ZINC000010677144 206281122 /nfs/dbraw/zinc/28/11/22/206281122.db2.gz HYJVBCGKDSXZQU-MRXNPFEDSA-N 0 0 366.826 3.678 50 5 FHBARN COc1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000010585062 206281885 /nfs/dbraw/zinc/28/18/85/206281885.db2.gz KPTVIVLMEZLIDH-UHFFFAOYSA-N 0 0 350.758 3.826 50 5 FHBARN Cc1ccccc1OCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000012597476 206293714 /nfs/dbraw/zinc/29/37/14/206293714.db2.gz ZZWUHMBMVZGHEZ-UHFFFAOYSA-N 0 0 370.405 3.739 50 5 FHBARN O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012985972 206298107 /nfs/dbraw/zinc/29/81/07/206298107.db2.gz INJPJQXUAGMEJB-UHFFFAOYSA-N 0 0 359.769 3.627 50 5 FHBARN CCOc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(F)F ZINC000012906568 206298286 /nfs/dbraw/zinc/29/82/86/206298286.db2.gz ZMAGLPCCZHAHGT-UHFFFAOYSA-N 0 0 367.304 3.952 50 5 FHBARN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000058137290 206389925 /nfs/dbraw/zinc/38/99/25/206389925.db2.gz FINHMFBZMNXJQP-UHFFFAOYSA-N 0 0 365.389 3.839 50 5 FHBARN COc1ccc(CN(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000058168417 206393061 /nfs/dbraw/zinc/39/30/61/206393061.db2.gz NKXCVIGKMBEUJT-ZDUSSCGKSA-N 0 0 373.409 3.515 50 5 FHBARN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(-c3ccccc3)on2)c1 ZINC000058171506 206395419 /nfs/dbraw/zinc/39/54/19/206395419.db2.gz JLHSKPHYOLPFGE-UHFFFAOYSA-N 0 0 369.402 3.902 50 5 FHBARN COc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1[N+](=O)[O-] ZINC000022992966 206396117 /nfs/dbraw/zinc/39/61/17/206396117.db2.gz PYQHSGYPEHVWBE-UHFFFAOYSA-N 0 0 370.336 3.933 50 5 FHBARN O=C(NC1CC1)c1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000023040192 206397565 /nfs/dbraw/zinc/39/75/65/206397565.db2.gz IJDSHJQAQREOLH-UHFFFAOYSA-N 0 0 365.433 3.652 50 5 FHBARN COc1ccccc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004895974 132255212 /nfs/dbraw/zinc/25/52/12/132255212.db2.gz GKQLXJHUQMNDIB-UHFFFAOYSA-N 0 0 355.394 3.846 50 5 FHBARN Cc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)c1C ZINC000000998331 132379393 /nfs/dbraw/zinc/37/93/93/132379393.db2.gz IKSXIOUOAIWLAB-UHFFFAOYSA-N 0 0 373.840 3.827 50 5 FHBARN Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1C ZINC000001181357 132380880 /nfs/dbraw/zinc/38/08/80/132380880.db2.gz WSFRRVSLORTGOO-UHFFFAOYSA-N 0 0 373.840 3.827 50 5 FHBARN O=C(c1cccc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003904043 132386023 /nfs/dbraw/zinc/38/60/23/132386023.db2.gz VKKJIDLLLMIHFK-UHFFFAOYSA-N 0 0 361.401 3.710 50 5 FHBARN CC[C@H]1c2ccsc2CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000015140686 132877096 /nfs/dbraw/zinc/87/70/96/132877096.db2.gz NJHNIASXNMCCGM-ZDUSSCGKSA-N 0 0 366.464 3.574 50 5 FHBARN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCSc2ccccc21 ZINC000068730851 136137732 /nfs/dbraw/zinc/13/77/32/136137732.db2.gz ODNINZMMLVAIQX-UHFFFAOYSA-N 0 0 355.419 3.922 50 5 FHBARN O=C(NC[C@H]1CCCCN1c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000072310234 136144235 /nfs/dbraw/zinc/14/42/35/136144235.db2.gz PYISQUSEKNZQLY-MRXNPFEDSA-N 0 0 357.385 3.523 50 5 FHBARN Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000004998816 263337566 /nfs/dbraw/zinc/33/75/66/263337566.db2.gz FLKMPXNPJFVAHM-UHFFFAOYSA-N 0 0 373.434 3.817 50 5 FHBARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000089840140 519717595 /nfs/dbraw/zinc/71/75/95/519717595.db2.gz PRGSMADLDZUEQJ-MRXNPFEDSA-N 0 0 367.808 3.978 50 5 FHBARN COc1cc(C(=O)N2CCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000014181879 570518723 /nfs/dbraw/zinc/51/87/23/570518723.db2.gz CCKWZHQPLSCPOV-UHFFFAOYSA-N 0 0 362.769 3.895 50 5 FHBARN Cc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000004841574 570527279 /nfs/dbraw/zinc/52/72/79/570527279.db2.gz YCMVFQGIQODXHG-UHFFFAOYSA-N 0 0 359.813 3.519 50 5 FHBARN COc1ccc(NC(=O)N(C)Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000023392192 570538756 /nfs/dbraw/zinc/53/87/56/570538756.db2.gz UENSUFWDVCWGEQ-UHFFFAOYSA-N 0 0 355.803 3.982 50 5 FHBARN Cc1ccc(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000004978717 570569908 /nfs/dbraw/zinc/56/99/08/570569908.db2.gz WERMJLHQEVSMMB-GJZGRUSLSA-N 0 0 354.406 3.748 50 5 FHBARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005192811 570631464 /nfs/dbraw/zinc/63/14/64/570631464.db2.gz SPOPUIPUHDFQHT-XMZCSZCVSA-N 0 0 363.417 3.622 50 5 FHBARN Nc1nc(Nc2cccc(Cl)c2)nc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000017249291 570747577 /nfs/dbraw/zinc/74/75/77/570747577.db2.gz LFWVNLRYCZHXQX-UHFFFAOYSA-N 0 0 362.821 3.744 50 5 FHBARN COc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005094283 570775538 /nfs/dbraw/zinc/77/55/38/570775538.db2.gz NUPBOLXDCTZRDD-UHFFFAOYSA-N 0 0 365.183 3.927 50 5 FHBARN COc1cc(OC)c(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000032774286 570797881 /nfs/dbraw/zinc/79/78/81/570797881.db2.gz NOLURKYFWRQSLS-LLVKDONJSA-N 0 0 361.350 3.539 50 5 FHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000032837460 570819234 /nfs/dbraw/zinc/81/92/34/570819234.db2.gz LSAFWPYRDDRARW-CQSZACIVSA-N 0 0 372.446 3.905 50 5 FHBARN Cc1nc([N+](=O)[O-])c(NCc2ccc(Oc3ccc(F)cc3)nc2)n1C ZINC000103278289 570848005 /nfs/dbraw/zinc/84/80/05/570848005.db2.gz ZFMQVXSBSBVIAG-UHFFFAOYSA-N 0 0 357.345 3.575 50 5 FHBARN COc1c(Cl)cccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104230189 570858413 /nfs/dbraw/zinc/85/84/13/570858413.db2.gz CQPVPWLBPPNSCG-UHFFFAOYSA-N 0 0 368.689 3.817 50 5 FHBARN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000106528092 570891966 /nfs/dbraw/zinc/89/19/66/570891966.db2.gz DVCHAWWMSQWLCS-SJORKVTESA-N 0 0 367.232 3.992 50 5 FHBARN Cc1c([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000045517730 570908813 /nfs/dbraw/zinc/90/88/13/570908813.db2.gz RRNQULBUKVRCSG-GFCCVEGCSA-N 0 0 368.368 3.719 50 5 FHBARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010899198 570960599 /nfs/dbraw/zinc/96/05/99/570960599.db2.gz BNEKHNYBRSOLHC-UHFFFAOYSA-N 0 0 353.422 3.857 50 5 FHBARN Cc1cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1F ZINC000011007336 571005578 /nfs/dbraw/zinc/00/55/78/571005578.db2.gz IPJORXFRSIZWAX-UHFFFAOYSA-N 0 0 371.412 3.575 50 5 FHBARN Cc1cccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)c1 ZINC000001316450 571048664 /nfs/dbraw/zinc/04/86/64/571048664.db2.gz MZCXBUDBTCFOMC-UHFFFAOYSA-N 0 0 351.391 3.520 50 5 FHBARN COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1OC(F)F ZINC000012733986 571058077 /nfs/dbraw/zinc/05/80/77/571058077.db2.gz AFLIWKVCNSPMBO-UHFFFAOYSA-N 0 0 352.293 3.595 50 5 FHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000068555573 571065307 /nfs/dbraw/zinc/06/53/07/571065307.db2.gz FATINYUTIKENDF-CQSZACIVSA-N 0 0 360.801 3.967 50 5 FHBARN Cc1ccc(OCCNC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000040068713 571071463 /nfs/dbraw/zinc/07/14/63/571071463.db2.gz IFSBEVLWSYSQRV-HNNXBMFYSA-N 0 0 357.410 3.685 50 5 FHBARN O=[N+]([O-])c1c(Br)cc(Br)cc1Br ZINC000004829198 571072951 /nfs/dbraw/zinc/07/29/51/571072951.db2.gz PVRGPKACTCJCBF-UHFFFAOYSA-N 0 0 359.799 3.882 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccccc1OC(F)F ZINC000040095061 571075567 /nfs/dbraw/zinc/07/55/67/571075567.db2.gz KCNXGYJCVDKTGU-UHFFFAOYSA-N 0 0 367.308 3.527 50 5 FHBARN O=c1[nH]cnc2cc(N[C@H]3CCc4cc(Cl)ccc43)c([N+](=O)[O-])cc12 ZINC000084459245 571086237 /nfs/dbraw/zinc/08/62/37/571086237.db2.gz UBVSOZDJAJEPCX-ZDUSSCGKSA-N 0 0 356.769 3.584 50 5 FHBARN CC(C)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 ZINC000069170091 571090851 /nfs/dbraw/zinc/09/08/51/571090851.db2.gz YAVAWGVNUQOSFL-MRXNPFEDSA-N 0 0 353.382 3.527 50 5 FHBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccccn1 ZINC000000853027 571093490 /nfs/dbraw/zinc/09/34/90/571093490.db2.gz RRQHMHBKEBHXPJ-UHFFFAOYSA-N 0 0 361.313 3.583 50 5 FHBARN CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675627 571106522 /nfs/dbraw/zinc/10/65/22/571106522.db2.gz RCFYRQCXFQNDDP-UHFFFAOYSA-N 0 0 371.412 3.751 50 5 FHBARN Cc1cccc(-n2ccnc(SCc3cccc([N+](=O)[O-])c3)c2=O)c1 ZINC000033039915 571114907 /nfs/dbraw/zinc/11/49/07/571114907.db2.gz HSHBVZIWHNWZOB-UHFFFAOYSA-N 0 0 353.403 3.741 50 5 FHBARN Cc1cc(N2CCC[C@@H](C)C2)n2nc(-c3cccc([N+](=O)[O-])c3)cc2n1 ZINC000015830168 571130203 /nfs/dbraw/zinc/13/02/03/571130203.db2.gz PBBVLCMUAZHYRK-CYBMUJFWSA-N 0 0 351.410 3.849 50 5 FHBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccs2)c1 ZINC000015866769 571137745 /nfs/dbraw/zinc/13/77/45/571137745.db2.gz BXVJPHIMNYKLQN-OAHLLOKOSA-N 0 0 366.464 3.962 50 5 FHBARN Cc1nn(C(=O)c2ccncc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000000955231 571140086 /nfs/dbraw/zinc/14/00/86/571140086.db2.gz ZSGGRRJEZMRXEY-UHFFFAOYSA-N 0 0 354.391 3.643 50 5 FHBARN COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000025189601 571140963 /nfs/dbraw/zinc/14/09/63/571140963.db2.gz NMCQLDRBSDIKDC-UHFFFAOYSA-N 0 0 374.780 3.628 50 5 FHBARN Cc1nn(C)c(C(=O)Nc2cccc(Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000001000827 571142785 /nfs/dbraw/zinc/14/27/85/571142785.db2.gz HARIBRLFPDAJAQ-UHFFFAOYSA-N 0 0 351.366 3.633 50 5 FHBARN O=C(CSc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001051197 571144713 /nfs/dbraw/zinc/14/47/13/571144713.db2.gz CSCSDFCPHUMHNW-UHFFFAOYSA-N 0 0 353.403 3.815 50 5 FHBARN Cc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000001049945 571144772 /nfs/dbraw/zinc/14/47/72/571144772.db2.gz WHAFVKMEJCFNTP-UHFFFAOYSA-N 0 0 367.789 3.823 50 5 FHBARN Cc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000012921547 571145360 /nfs/dbraw/zinc/14/53/60/571145360.db2.gz KXJHYRAKSZYUKW-KRWDZBQOSA-N 0 0 368.389 3.652 50 5 FHBARN COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CCCC2 ZINC000001067924 571145396 /nfs/dbraw/zinc/14/53/96/571145396.db2.gz UPHOXMJHZRRSPN-UHFFFAOYSA-N 0 0 374.418 3.882 50 5 FHBARN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC ZINC000001145015 571147287 /nfs/dbraw/zinc/14/72/87/571147287.db2.gz ULYBMDTYAJSRIN-UHFFFAOYSA-N 0 0 366.757 3.526 50 5 FHBARN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001149721 571147497 /nfs/dbraw/zinc/14/74/97/571147497.db2.gz YTDYJVBFZICGDO-YCRREMRBSA-N 0 0 359.769 3.859 50 5 FHBARN COc1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OC ZINC000001136165 571147626 /nfs/dbraw/zinc/14/76/26/571147626.db2.gz RJRWCDQVJJBARX-UHFFFAOYSA-N 0 0 361.741 3.982 50 5 FHBARN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000075106432 571155290 /nfs/dbraw/zinc/15/52/90/571155290.db2.gz GOFKXNXZJQRUAJ-ZDUSSCGKSA-N 0 0 350.378 3.580 50 5 FHBARN Cc1ccc(CNc2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])cc1 ZINC000004684503 571160215 /nfs/dbraw/zinc/16/02/15/571160215.db2.gz OKYPBTOHTCFFSE-UHFFFAOYSA-N 0 0 353.378 3.559 50 5 FHBARN COc1ccc(C(C)=O)cc1CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000015178699 571163989 /nfs/dbraw/zinc/16/39/89/571163989.db2.gz YYHAFRVBYHPRAD-CYBMUJFWSA-N 0 0 370.405 3.568 50 5 FHBARN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000001171889 571164292 /nfs/dbraw/zinc/16/42/92/571164292.db2.gz DPEBVJWJPFLFHP-UHFFFAOYSA-N 0 0 369.324 3.740 50 5 FHBARN Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000001181564 571164909 /nfs/dbraw/zinc/16/49/09/571164909.db2.gz PLFJILZCPVHESP-UHFFFAOYSA-N 0 0 363.826 3.992 50 5 FHBARN COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000001209762 571165808 /nfs/dbraw/zinc/16/58/08/571165808.db2.gz HSKDTQNMMNHMBP-UHFFFAOYSA-N 0 0 363.373 3.842 50 5 FHBARN CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(OC)cc1 ZINC000001216794 571166337 /nfs/dbraw/zinc/16/63/37/571166337.db2.gz OCZUZXNRDMJLHT-GOSISDBHSA-N 0 0 353.378 3.691 50 5 FHBARN CC(C)(C)NC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000001215837 571166485 /nfs/dbraw/zinc/16/64/85/571166485.db2.gz ONHVVGXZHMPWRR-FMIVXFBMSA-N 0 0 367.405 3.775 50 5 FHBARN O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccco1 ZINC000001218902 571166726 /nfs/dbraw/zinc/16/67/26/571166726.db2.gz SRGFUTOIRCACCV-UHFFFAOYSA-N 0 0 351.318 3.692 50 5 FHBARN Cc1nc(-c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000012614167 571191258 /nfs/dbraw/zinc/19/12/58/571191258.db2.gz SPDOXJMVWNSQNP-UHFFFAOYSA-N 0 0 353.403 3.957 50 5 FHBARN Cc1nn(C)cc1[C@@H]1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000006527425 571207034 /nfs/dbraw/zinc/20/70/34/571207034.db2.gz DARCMLMRCFQCGY-FQEVSTJZSA-N 0 0 361.405 3.992 50 5 FHBARN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000089587559 571212993 /nfs/dbraw/zinc/21/29/93/571212993.db2.gz IJQRJTUETXJYEM-HNNXBMFYSA-N 0 0 371.412 3.561 50 5 FHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004800784 571237126 /nfs/dbraw/zinc/23/71/26/571237126.db2.gz FWPOQORETJBFPO-UHFFFAOYSA-N 0 0 354.681 3.940 50 5 FHBARN COc1cc(COC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OC(F)F ZINC000013159778 571258388 /nfs/dbraw/zinc/25/83/88/571258388.db2.gz OXTPMJPDSXPEOY-UHFFFAOYSA-N 0 0 367.304 3.870 50 5 FHBARN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000170090238 571262178 /nfs/dbraw/zinc/26/21/78/571262178.db2.gz PIYRZSLRAMEZAE-QFYYESIMSA-N 0 0 366.776 3.548 50 5 FHBARN CC[C@](C)(O)CN(Cc1ccccc1)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000170603199 571267183 /nfs/dbraw/zinc/26/71/83/571267183.db2.gz SVNOKJPNIDXYFE-FQEVSTJZSA-N 0 0 356.422 3.965 50 5 FHBARN CCOc1cc2c(cc1OCC)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 ZINC000017073569 571274824 /nfs/dbraw/zinc/27/48/24/571274824.db2.gz QYVRWMVTOHRERQ-CQSZACIVSA-N 0 0 356.378 3.866 50 5 FHBARN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc3c(ccc4ccccc34)n12 ZINC000019861654 571308178 /nfs/dbraw/zinc/30/81/78/571308178.db2.gz RVRTVCUBEWZTAL-GZTJUZNOSA-N 0 0 373.393 3.518 50 5 FHBARN Cc1ccc(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000018165901 571319267 /nfs/dbraw/zinc/31/92/67/571319267.db2.gz WERMJLHQEVSMMB-GASCZTMLSA-N 0 0 354.406 3.748 50 5 FHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000012634328 571322560 /nfs/dbraw/zinc/32/25/60/571322560.db2.gz RKOUGYTUVNLWHA-LLVKDONJSA-N 0 0 368.349 3.605 50 5 FHBARN CC(=O)Nc1ccc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000012981260 571322946 /nfs/dbraw/zinc/32/29/46/571322946.db2.gz SQQMULKBOSLOBK-UHFFFAOYSA-N 0 0 369.421 3.781 50 5 FHBARN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000093342052 571326380 /nfs/dbraw/zinc/32/63/80/571326380.db2.gz UKJVOAQGJXZSIV-UHFFFAOYSA-N 0 0 356.422 3.729 50 5 FHBARN O=C(CSc1ncccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000020031384 571327835 /nfs/dbraw/zinc/32/78/35/571327835.db2.gz RUWAIUOCRNRVIN-UHFFFAOYSA-N 0 0 357.313 3.739 50 5 FHBARN COCCNc1nc(SCc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000020646022 571331575 /nfs/dbraw/zinc/33/15/75/571331575.db2.gz UGXQGUFFCFNFKR-UHFFFAOYSA-N 0 0 370.434 3.889 50 5 FHBARN O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)ccc1NCc1ccco1 ZINC000020898045 571331931 /nfs/dbraw/zinc/33/19/31/571331931.db2.gz HKNQGTGBRFGMBT-UHFFFAOYSA-N 0 0 363.333 3.912 50 5 FHBARN Cc1c(C(=O)Nc2cccc(C)c2)nn(C)c1Oc1ccccc1[N+](=O)[O-] ZINC000096203711 571334816 /nfs/dbraw/zinc/33/48/16/571334816.db2.gz VLNHVPDSWLGOIK-UHFFFAOYSA-N 0 0 366.377 3.990 50 5 FHBARN CC[C@H](C)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)CC(C)C ZINC000096288388 571335128 /nfs/dbraw/zinc/33/51/28/571335128.db2.gz SDQYHTYZXZJZNA-AWEZNQCLSA-N 0 0 374.441 3.861 50 5 FHBARN CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2cccs2)cc([N+](=O)[O-])c1 ZINC000029797103 571343138 /nfs/dbraw/zinc/34/31/38/571343138.db2.gz LLOKAKHFCCCJAU-HNNXBMFYSA-N 0 0 374.418 3.810 50 5 FHBARN O=C(NCCSCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002991021 571343391 /nfs/dbraw/zinc/34/33/91/571343391.db2.gz LVGNMWNUBRFFOU-UHFFFAOYSA-N 0 0 350.827 3.911 50 5 FHBARN Cc1cccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1[N+](=O)[O-] ZINC000031734577 571353443 /nfs/dbraw/zinc/35/34/43/571353443.db2.gz MCOGTIGARIVULL-UHFFFAOYSA-N 0 0 361.785 3.511 50 5 FHBARN CCN(CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000098004006 932541855 /nfs/dbraw/zinc/54/18/55/932541855.db2.gz IPAWTNNDQLDCHB-KAMYIIQDSA-N 0 0 353.422 3.641 50 5 FHBARN Cc1c(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000013097711 935964616 /nfs/dbraw/zinc/96/46/16/935964616.db2.gz WNJGCYLNDMCTFH-VQHVLOKHSA-N 0 0 354.362 3.716 50 5 FHBARN O=[N+]([O-])c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Br ZINC000001125776 219375583 /nfs/dbraw/zinc/37/55/83/219375583.db2.gz JTEUAYIUXYLBIC-UHFFFAOYSA-N 0 0 350.987 3.909 50 5 FHBARN COc1cc(OC)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000001124408 219374943 /nfs/dbraw/zinc/37/49/43/219374943.db2.gz HACZHBATQNYMTQ-UHFFFAOYSA-N 0 0 350.758 3.826 50 5 FHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1F ZINC000001185568 219386141 /nfs/dbraw/zinc/38/61/41/219386141.db2.gz UIKZBKLOIRENJP-UHFFFAOYSA-N 0 0 369.146 3.514 50 5 FHBARN COc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000001235175 203995463 /nfs/dbraw/zinc/99/54/63/203995463.db2.gz PKAAYDCYSMNETM-UHFFFAOYSA-N 0 0 355.375 3.979 50 5 FHBARN Cc1c(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cccc1[N+](=O)[O-] ZINC000009367648 203953872 /nfs/dbraw/zinc/95/38/72/203953872.db2.gz XMSVRXZIRCEPRI-UHFFFAOYSA-N 0 0 358.354 3.813 50 5 FHBARN O=C(C[C@H](n1ccnc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000002367011 204036770 /nfs/dbraw/zinc/03/67/70/204036770.db2.gz OJWNZZKHUHBIDN-LBPRGKRZSA-N 0 0 362.600 3.976 50 5 FHBARN COc1ccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)cc1Cl ZINC000001385547 204003503 /nfs/dbraw/zinc/00/35/03/204003503.db2.gz ACTXKETVZUOGGQ-UHFFFAOYSA-N 0 0 372.768 3.695 50 5 FHBARN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(Br)o3)no2)cc1 ZINC000001421815 204005895 /nfs/dbraw/zinc/00/58/95/204005895.db2.gz KAXSCQKFUSZIBZ-UHFFFAOYSA-N 0 0 366.127 3.579 50 5 FHBARN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cc([N+](=O)[O-])cn1 ZINC000001421982 204006179 /nfs/dbraw/zinc/00/61/79/204006179.db2.gz KKDZVQAQUQQIHX-ZETCQYMHSA-N 0 0 362.695 3.663 50 5 FHBARN COc1ccc(/C=C2/N=C(/C=C/c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000001505016 204011159 /nfs/dbraw/zinc/01/11/59/204011159.db2.gz GSTLLTMVQMFWSW-VFLBTRNGSA-N 0 0 350.330 3.613 50 5 FHBARN Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1[N+](=O)[O-] ZINC000002055879 204025247 /nfs/dbraw/zinc/02/52/47/204025247.db2.gz XWPYYFHJVWYJEJ-UHFFFAOYSA-N 0 0 358.335 3.673 50 5 FHBARN O=c1c2ccccc2oc2nc(-c3ccccc3)n(Cc3ccco3)c(=O)c12 ZINC000002199793 204028220 /nfs/dbraw/zinc/02/82/20/204028220.db2.gz AIABWPYAGNGREJ-UHFFFAOYSA-N 0 0 370.364 3.811 50 5 FHBARN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000002206363 204029373 /nfs/dbraw/zinc/02/93/73/204029373.db2.gz IZFJTCZANHFTOO-MRXNPFEDSA-N 0 0 370.434 3.695 50 5 FHBARN Cc1ccc(N[C@@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000002329755 204033896 /nfs/dbraw/zinc/03/38/96/204033896.db2.gz RSCZMQODZPQZKM-OAHLLOKOSA-N 0 0 357.391 3.537 50 5 FHBARN Cc1nc2c3ccccc3nc(SCc3ccc([N+](=O)[O-])cc3)n2n1 ZINC000002968899 204071591 /nfs/dbraw/zinc/07/15/91/204071591.db2.gz JLXWWTIUWCYQTB-UHFFFAOYSA-N 0 0 351.391 3.786 50 5 FHBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002970755 204072103 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O=C(CCSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026411031 571162584 /nfs/dbraw/zinc/16/25/84/571162584.db2.gz UTULQYOPBURIGA-UHFFFAOYSA-N 0 0 373.438 3.520 50 5 FHBARN CC(C)c1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000001175524 571164276 /nfs/dbraw/zinc/16/42/76/571164276.db2.gz KVBXRLWRGCZIEE-UHFFFAOYSA-N 0 0 361.398 3.984 50 5 FHBARN O=C(COc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000001172817 571164278 /nfs/dbraw/zinc/16/42/78/571164278.db2.gz BGTYHRICJSPLQU-UHFFFAOYSA-N 0 0 369.146 3.514 50 5 FHBARN COc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000001191722 571165572 /nfs/dbraw/zinc/16/55/72/571165572.db2.gz SDMLZYDYOVGWNK-UHFFFAOYSA-N 0 0 366.757 3.526 50 5 FHBARN COc1cc2c(cc1OC)CN(c1ccc([N+](=O)[O-])c3cccnc31)CC2 ZINC000012522199 571174047 /nfs/dbraw/zinc/17/40/47/571174047.db2.gz OBUJAWGFQARSMK-UHFFFAOYSA-N 0 0 365.389 3.723 50 5 FHBARN O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000001738466 571177035 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O=C(Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005027991 132826011 /nfs/dbraw/zinc/82/60/11/132826011.db2.gz DLSVJLXONMGTCO-UHFFFAOYSA-N 0 0 360.801 3.886 50 5 FHBARN COC(=O)c1ccc(C)c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000000980255 518025633 /nfs/dbraw/zinc/02/56/33/518025633.db2.gz YXNXHRNDYGHOLH-UHFFFAOYSA-N 0 0 374.418 3.562 50 5 FHBARN Cc1ccccc1OC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000020899668 525276884 /nfs/dbraw/zinc/27/68/84/525276884.db2.gz HDVZQUONURIDQZ-UHFFFAOYSA-N 0 0 371.374 3.651 50 5 FHBARN CSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 ZINC000000778723 568200616 /nfs/dbraw/zinc/20/06/16/568200616.db2.gz RSUHAPOSEQAWEN-OAHLLOKOSA-N 0 0 367.390 3.672 50 5 FHBARN COC[C@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000014064033 570512558 /nfs/dbraw/zinc/51/25/58/570512558.db2.gz DJQWHRKDEQOSOB-NSHDSACASA-N 0 0 364.785 3.805 50 5 FHBARN Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000014139541 570517497 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CC(C)C(=O)n1nc(-c2cccs2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000009667655 207281691 /nfs/dbraw/zinc/28/16/91/207281691.db2.gz LONVPAFPKMMXGK-UHFFFAOYSA-N 0 0 371.422 3.823 50 5 FHBARN O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccccc2)CC1 ZINC000009986144 207292153 /nfs/dbraw/zinc/29/21/53/207292153.db2.gz KLCXYZUACPKXON-ZHACJKMWSA-N 0 0 364.401 3.730 50 5 FHBARN COc1cc(Cl)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC ZINC000011014479 207307911 /nfs/dbraw/zinc/30/79/11/207307911.db2.gz TYHHCMYMIGNFNL-VOTSOKGWSA-N 0 0 362.769 3.917 50 5 FHBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000010647200 207303409 /nfs/dbraw/zinc/30/34/09/207303409.db2.gz CCGDQCVCWVAWKF-PGBBXINNSA-N 0 0 357.406 3.926 50 5 FHBARN Nc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000011452529 207313301 /nfs/dbraw/zinc/31/33/01/207313301.db2.gz GRBTZVDCZBQKKM-UHFFFAOYSA-N 0 0 353.422 3.662 50 5 FHBARN CCOc1cc2c(cc1NC(=O)c1ccc(NC)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000012556166 207394714 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O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000004090610 571355188 /nfs/dbraw/zinc/35/51/88/571355188.db2.gz BSDWKIZSAZPSJS-UHFFFAOYSA-N 0 0 351.387 3.875 50 5 FHBARN Cc1ccccc1CSC1=NCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000004120030 571355647 /nfs/dbraw/zinc/35/56/47/571355647.db2.gz JBWWNWSZTIZMFP-UHFFFAOYSA-N 0 0 355.419 3.648 50 5 FHBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C)cc1 ZINC000004188695 571356524 /nfs/dbraw/zinc/35/65/24/571356524.db2.gz RNLJLSAWTQRPIN-CQSZACIVSA-N 0 0 373.840 3.908 50 5 FHBARN CCOC(=O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ncc(Cl)n1C ZINC000098055339 932933227 /nfs/dbraw/zinc/93/32/27/932933227.db2.gz QNFJZVARKJXXTP-POHAHGRESA-N 0 0 370.192 3.739 50 5 FHBARN COC(=O)c1ccc(Sc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 ZINC000001066345 219362562 /nfs/dbraw/zinc/36/25/62/219362562.db2.gz JNFVDTWJQMRGHP-UHFFFAOYSA-N 0 0 355.375 3.923 50 5 FHBARN C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1cc([N+](=O)[O-])cn1 ZINC000001069762 219364423 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FHBARN Cc1ccn2cc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2n1 ZINC000009572084 210841874 /nfs/dbraw/zinc/84/18/74/210841874.db2.gz GGVASYKTXRBLOI-UHFFFAOYSA-N 0 0 373.372 3.865 50 5 FHBARN Cc1ccc2nc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)sc2c1 ZINC000008728062 210799106 /nfs/dbraw/zinc/79/91/06/210799106.db2.gz BDWYQPIHOMJDKP-UHFFFAOYSA-N 0 0 371.374 3.536 50 5 FHBARN C[C@H]1CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H](C)O1 ZINC000008937345 210809841 /nfs/dbraw/zinc/80/98/41/210809841.db2.gz DLTAPIHJEIGTLY-QWRGUYRKSA-N 0 0 364.785 3.758 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000007827509 210756668 /nfs/dbraw/zinc/75/66/68/210756668.db2.gz NPCOQPIXFAZLCE-SUMWQHHRSA-N 0 0 370.405 3.565 50 5 FHBARN CC(=O)Oc1cn(Cc2ccco2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005236104 210609340 /nfs/dbraw/zinc/60/93/40/210609340.db2.gz JBJLISOYESFASP-UHFFFAOYSA-N 0 0 360.373 3.712 50 5 FHBARN O=[N+]([O-])c1ccc(SCc2ccc(I)cc2)nc1 ZINC000004748922 210560743 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COc1ccc(C(=O)OCc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000003294474 210464443 /nfs/dbraw/zinc/46/44/43/210464443.db2.gz JUYVQMOVTVCOBQ-UHFFFAOYSA-N 0 0 366.167 3.723 50 5 FHBARN COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000002860837 210431976 /nfs/dbraw/zinc/43/19/76/210431976.db2.gz SDIVMSVENIHGNL-LLVKDONJSA-N 0 0 364.785 3.513 50 5 FHBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccco2)c1=O ZINC000002449065 210399883 /nfs/dbraw/zinc/39/98/83/210399883.db2.gz FFEZTSVMQVLISC-CYBMUJFWSA-N 0 0 373.416 3.907 50 5 FHBARN Cc1cccc(N[C@@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000002347860 210393190 /nfs/dbraw/zinc/39/31/90/210393190.db2.gz WMTKNWMANCLNTM-OAHLLOKOSA-N 0 0 357.391 3.537 50 5 FHBARN Cc1ccccc1N[C@@H]1SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000002297342 210390433 /nfs/dbraw/zinc/39/04/33/210390433.db2.gz UBNLKGXHDDNXKQ-OAHLLOKOSA-N 0 0 357.391 3.537 50 5 FHBARN COCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000001758520 210369981 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Cc1ccccc1OCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000001143058 210325099 /nfs/dbraw/zinc/32/50/99/210325099.db2.gz YVPVIEQHTDSPTN-UHFFFAOYSA-N 0 0 370.434 3.903 50 5 FHBARN O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1)N1CCOCC1 ZINC000001140768 210324548 /nfs/dbraw/zinc/32/45/48/210324548.db2.gz FWDWCZBLORTLKT-UHFFFAOYSA-N 0 0 362.769 3.513 50 5 FHBARN CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000001184214 210332184 /nfs/dbraw/zinc/33/21/84/210332184.db2.gz CXYFUVZBVZNBRT-YBEGLDIGSA-N 0 0 370.386 3.840 50 5 FHBARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000001183551 210331353 /nfs/dbraw/zinc/33/13/53/210331353.db2.gz HSRPWUQGWJIRFM-RMKNXTFCSA-N 0 0 361.810 3.775 50 5 FHBARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001053930 210309276 /nfs/dbraw/zinc/30/92/76/210309276.db2.gz NBJHLTUCYIQJQD-UHFFFAOYSA-N 0 0 368.368 3.848 50 5 FHBARN COc1cc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)nc(C)c2cc1OC ZINC000001043255 210305868 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COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000000834236 210279600 /nfs/dbraw/zinc/27/96/00/210279600.db2.gz JZIACAOHSOXLMK-UHFFFAOYSA-N 0 0 354.406 3.698 50 5 FHBARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000025117617 220474889 /nfs/dbraw/zinc/47/48/89/220474889.db2.gz ZXZNRLPSTVWFRZ-UHFFFAOYSA-N 0 0 351.362 3.754 50 5 FHBARN Cc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000026157740 220503794 /nfs/dbraw/zinc/50/37/94/220503794.db2.gz BFNHYLLBEGOFCP-KRWDZBQOSA-N 0 0 356.378 3.713 50 5 FHBARN O=C(NCc1ccco1)c1cccc(COc2cccc([N+](=O)[O-])c2)c1 ZINC000048362865 221011303 /nfs/dbraw/zinc/01/13/03/221011303.db2.gz OMVLEGGUAZEUPE-UHFFFAOYSA-N 0 0 352.346 3.697 50 5 FHBARN Cc1ccc(F)c(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000096003898 132217008 /nfs/dbraw/zinc/21/70/08/132217008.db2.gz INASSLLLJLHJRG-UHFFFAOYSA-N 0 0 371.412 3.750 50 5 FHBARN O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)N2)cc1 ZINC000033902991 132374464 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CCOP(=O)(CCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC ZINC000071770107 221374053 /nfs/dbraw/zinc/37/40/53/221374053.db2.gz UCCWDXXXZKJHEZ-UHFFFAOYSA-N 0 0 362.275 3.538 50 5 FHBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(Cl)cn1 ZINC000095470975 132211442 /nfs/dbraw/zinc/21/14/42/132211442.db2.gz VGFDZZOXARBWEV-UHFFFAOYSA-N 0 0 353.721 3.597 50 5 FHBARN Cc1csc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000006249452 132258385 /nfs/dbraw/zinc/25/83/85/132258385.db2.gz MCEPYVVVTFFWTI-NSHDSACASA-N 0 0 360.439 3.848 50 5 FHBARN CC[C@H]1CCCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000008184159 132259629 /nfs/dbraw/zinc/25/96/29/132259629.db2.gz NQBJSLWYBLIVJE-JTQLQIEISA-N 0 0 366.361 3.657 50 5 FHBARN O=[N+]([O-])c1ccc2c(c1N1CCC(Oc3ccc(F)cc3)CC1)CCN2 ZINC000170602003 132264414 /nfs/dbraw/zinc/26/44/14/132264414.db2.gz XACRVYWFEFVQIE-UHFFFAOYSA-N 0 0 357.385 3.750 50 5 FHBARN Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000003445935 132385329 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FHBARN CCOC(=O)c1ccc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001121691 219373628 /nfs/dbraw/zinc/37/36/28/219373628.db2.gz DWUUXUXTQJSQKZ-UHFFFAOYSA-N 0 0 363.753 3.782 50 5 FHBARN O=C1OC(c2ccco2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001121516 219373903 /nfs/dbraw/zinc/37/39/03/219373903.db2.gz IUVJVMRITNPLAB-GXDHUFHOSA-N 0 0 350.286 3.792 50 5 FHBARN CC(=O)[C@H](C)Oc1cc(O[C@@H](C)C(C)=O)c2c(c1)oc1ccccc1c2=O ZINC000004084083 219539643 /nfs/dbraw/zinc/53/96/43/219539643.db2.gz LJIJXYYMPSFBML-KBPBESRZSA-N 0 0 368.385 3.659 50 5 biogenic FHBARN Cc1ccccc1Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000006218123 219720393 /nfs/dbraw/zinc/72/03/93/219720393.db2.gz JOLLKKRHZNEWPD-UHFFFAOYSA-N 0 0 350.378 3.709 50 5 FHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cncc(Br)c1 ZINC000007066133 219791467 /nfs/dbraw/zinc/79/14/67/219791467.db2.gz GCGHXFHRZHDCKA-JTQLQIEISA-N 0 0 364.199 3.586 50 5 FHBARN CN(CC(=O)Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008052660 219843719 /nfs/dbraw/zinc/84/37/19/219843719.db2.gz TWNPYFHDGNZFRH-UHFFFAOYSA-N 0 0 371.290 3.828 50 5 FHBARN Cc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cccc1[N+](=O)[O-] ZINC000010544577 219906188 /nfs/dbraw/zinc/90/61/88/219906188.db2.gz BHOKZYFUSHJOSA-CQSZACIVSA-N 0 0 364.405 3.799 50 5 FHBARN O=C(COc1cccnc1[N+](=O)[O-])N(C1CCCCC1)C1CCCCC1 ZINC000060385069 212021456 /nfs/dbraw/zinc/02/14/56/212021456.db2.gz XAILCLHUWMNYDN-UHFFFAOYSA-N 0 0 361.442 3.863 50 5 FHBARN Cc1c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cccc1[N+](=O)[O-] ZINC000012775016 220028260 /nfs/dbraw/zinc/02/82/60/220028260.db2.gz URIZNBFBYXRDOH-AWEZNQCLSA-N 0 0 350.378 3.580 50 5 FHBARN COc1cc(C(=O)NC2(c3ccc(F)cc3)CCC2)c([N+](=O)[O-])cc1OC ZINC000058305398 212003117 /nfs/dbraw/zinc/00/31/17/212003117.db2.gz IUMJFFZXZWBILK-UHFFFAOYSA-N 0 0 374.368 3.560 50 5 FHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1OCC(F)(F)F ZINC000032906985 211571630 /nfs/dbraw/zinc/57/16/30/211571630.db2.gz SFIBDSJHPMYGAA-UHFFFAOYSA-N 0 0 372.274 3.856 50 5 FHBARN COc1ccc(NC(=O)NCC2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000032895615 211570157 /nfs/dbraw/zinc/57/01/57/211570157.db2.gz LYBGYQCLEIMXJD-UHFFFAOYSA-N 0 0 355.394 3.847 50 5 FHBARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000031483037 211533016 /nfs/dbraw/zinc/53/30/16/211533016.db2.gz SMUIXKPWBRZCPE-QMTHXVAHSA-N 0 0 357.341 3.581 50 5 FHBARN NC(=O)c1ccc(CNc2ccccc2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000025057254 211421155 /nfs/dbraw/zinc/42/11/55/211421155.db2.gz DVSLGQMUJDJBOJ-UHFFFAOYSA-N 0 0 361.401 3.897 50 5 FHBARN CSc1ccc([C@H]2OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 ZINC000021090662 211305427 /nfs/dbraw/zinc/30/54/27/211305427.db2.gz JQGGBXGIUIAESZ-QGZVFWFLSA-N 0 0 357.391 3.556 50 5 FHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000020457072 211280512 /nfs/dbraw/zinc/28/05/12/211280512.db2.gz MWTWTXYUWIOFEJ-UHFFFAOYSA-N 0 0 369.324 3.992 50 5 FHBARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000018948737 211200365 /nfs/dbraw/zinc/20/03/65/211200365.db2.gz UQAJPVPLVBXLNA-UHFFFAOYSA-N 0 0 370.796 3.706 50 5 FHBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccnn3C(F)F)nc12 ZINC000017076063 211179745 /nfs/dbraw/zinc/17/97/45/211179745.db2.gz ZGIZUFZQCSAZTA-UHFFFAOYSA-N 0 0 371.376 3.763 50 5 FHBARN COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc1[N+](=O)[O-] ZINC000017086064 211179324 /nfs/dbraw/zinc/17/93/24/211179324.db2.gz KBDPCYOLXCDKME-FVMDXXJSSA-N 0 0 373.434 3.644 50 5 FHBARN CC(C)C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000016966940 211172733 /nfs/dbraw/zinc/17/27/33/211172733.db2.gz ZJVNNYXUIINVTK-MRXNPFEDSA-N 0 0 352.394 3.988 50 5 FHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCSc1ccc(F)cc1 ZINC000016201608 211157556 /nfs/dbraw/zinc/15/75/56/211157556.db2.gz PIHBEEMIJWGXDA-UHFFFAOYSA-N 0 0 363.414 3.688 50 5 FHBARN COc1ccc(-c2nc(CNC(=O)c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000015832674 211145352 /nfs/dbraw/zinc/14/53/52/211145352.db2.gz DUPYKISYSZNVOA-UHFFFAOYSA-N 0 0 369.402 3.657 50 5 FHBARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000014836111 211101701 /nfs/dbraw/zinc/10/17/01/211101701.db2.gz XFNPDBCXWBWSLG-UHFFFAOYSA-N 0 0 367.405 3.863 50 5 FHBARN COC[C@@H](C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000014064031 211069861 /nfs/dbraw/zinc/06/98/61/211069861.db2.gz DJQWHRKDEQOSOB-LLVKDONJSA-N 0 0 364.785 3.805 50 5 FHBARN COc1cccc(-n2c(=O)c3ccccc3nc2-c2cccc([N+](=O)[O-])c2)c1 ZINC000013942966 211065581 /nfs/dbraw/zinc/06/55/81/211065581.db2.gz QPMXXEUKIRQZGP-UHFFFAOYSA-N 0 0 373.368 3.970 50 5 FHBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013846174 211062804 /nfs/dbraw/zinc/06/28/04/211062804.db2.gz JBCBGAQNGBPQBF-QZTJIDSGSA-N 0 0 350.374 3.941 50 5 FHBARN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000013330177 211031092 /nfs/dbraw/zinc/03/10/92/211031092.db2.gz IVUIAPNJUWMEGS-HNNXBMFYSA-N 0 0 354.815 3.678 50 5 FHBARN CC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000012999942 211017584 /nfs/dbraw/zinc/01/75/84/211017584.db2.gz IECRPYFQORCVAA-UHFFFAOYSA-N 0 0 355.394 3.761 50 5 FHBARN CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1)O[C@H](C)C2 ZINC000012975548 211014394 /nfs/dbraw/zinc/01/43/94/211014394.db2.gz XCFBITBOZFNFHV-GFCCVEGCSA-N 0 0 356.378 3.878 50 5 FHBARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012861656 211000325 /nfs/dbraw/zinc/00/03/25/211000325.db2.gz RORXARFLOACPTM-UHFFFAOYSA-N 0 0 365.393 3.719 50 5 FHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccn2)cs1 ZINC000006347210 210667942 /nfs/dbraw/zinc/66/79/42/210667942.db2.gz NHDASTWPXDAQHK-RMKNXTFCSA-N 0 0 352.375 3.765 50 5 FHBARN CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000006099822 210656710 /nfs/dbraw/zinc/65/67/10/210656710.db2.gz CUZRAZRKRPDINW-UHFFFAOYSA-N 0 0 370.405 3.979 50 5 FHBARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005574634 210628315 /nfs/dbraw/zinc/62/83/15/210628315.db2.gz PXUVKWDILUUMEM-UHFFFAOYSA-N 0 0 372.768 3.870 50 5 FHBARN O=C(Nc1nccs1)c1cccc(OCc2ccccc2)c1[N+](=O)[O-] ZINC000005518530 210625230 /nfs/dbraw/zinc/62/52/30/210625230.db2.gz OZELBACSHGPROH-UHFFFAOYSA-N 0 0 355.375 3.883 50 5 FHBARN Cc1ccc2ccc(S(=O)(=O)n3cnc4cc([N+](=O)[O-])ccc43)cc2c1 ZINC000005173987 210605950 /nfs/dbraw/zinc/60/59/50/210605950.db2.gz HXDVLYJUOVSGLH-UHFFFAOYSA-N 0 0 367.386 3.643 50 5 FHBARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)n1 ZINC000004965869 210585918 /nfs/dbraw/zinc/58/59/18/210585918.db2.gz ZMAZVAYIKIXQQR-UHFFFAOYSA-N 0 0 350.378 3.958 50 5 FHBARN CCCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000004774809 210561171 /nfs/dbraw/zinc/56/11/71/210561171.db2.gz VKYWBURNJNDXCR-LLVKDONJSA-N 0 0 354.621 3.619 50 5 FHBARN O=C1C[C@H](c2cccc(F)c2)c2c(n[nH]c2-c2cccc([N+](=O)[O-])c2)O1 ZINC000004626560 210547657 /nfs/dbraw/zinc/54/76/57/210547657.db2.gz ZTQHLXLQBQIWKF-CQSZACIVSA-N 0 0 353.309 3.565 50 5 FHBARN CSc1ccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000004644387 210546886 /nfs/dbraw/zinc/54/68/86/210546886.db2.gz HOLKUWQEJSTBEX-OQLLNIDSSA-N 0 0 354.387 3.970 50 5 FHBARN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br ZINC000004525209 210537821 /nfs/dbraw/zinc/53/78/21/210537821.db2.gz YOYXYQTXYFKMIO-UHFFFAOYSA-N 0 0 365.183 3.927 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000003376867 210473198 /nfs/dbraw/zinc/47/31/98/210473198.db2.gz LKZABLKENPZQFB-UHFFFAOYSA-N 0 0 366.377 3.658 50 5 FHBARN COc1ccc(C(=O)OCC(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] ZINC000003331916 210467464 /nfs/dbraw/zinc/46/74/64/210467464.db2.gz ZJTGWWGQGDHPSO-UHFFFAOYSA-N 0 0 357.362 3.568 50 5 FHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000003064968 210448556 /nfs/dbraw/zinc/44/85/56/210448556.db2.gz OQKWGPHXWSRDHU-AUWJEWJLSA-N 0 0 373.708 3.501 50 5 FHBARN CN(C)C(=O)N[C@H](Sc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000003130633 210450789 /nfs/dbraw/zinc/45/07/89/210450789.db2.gz FZZRGKDVCXVUIU-SECBINFHSA-N 0 0 372.661 3.654 50 5 FHBARN COc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000002304349 210390468 /nfs/dbraw/zinc/39/04/68/210390468.db2.gz HNJGAMYHHFUBKV-UHFFFAOYSA-N 0 0 373.368 3.970 50 5 FHBARN Cc1cccc2cc3c(NC(=O)c4cccc([N+](=O)[O-])c4)nn(C)c3nc12 ZINC000002393033 210395391 /nfs/dbraw/zinc/39/53/91/210395391.db2.gz VCDKZJNMVAESOC-UHFFFAOYSA-N 0 0 361.361 3.590 50 5 FHBARN CCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001852882 210372913 /nfs/dbraw/zinc/37/29/13/210372913.db2.gz OWVBGHBYHONZQX-UHFFFAOYSA-N 0 0 357.362 3.813 50 5 FHBARN CCOc1ccccc1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O ZINC000001812784 210371439 /nfs/dbraw/zinc/37/14/39/210371439.db2.gz NLHTXUGYVIQXFP-ZROIWOOFSA-N 0 0 372.764 3.991 50 5 FHBARN O=[N+]([O-])c1ccc([C@@H](O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000001738464 210368214 /nfs/dbraw/zinc/36/82/14/210368214.db2.gz OMTOHUADTUJUHA-AWEZNQCLSA-N 0 0 361.354 3.610 50 5 FHBARN O=C(OCCn1c2ccccc2c2nc3ccccc3nc21)c1cccnc1 ZINC000001448949 210355072 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CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000001143687 210324419 /nfs/dbraw/zinc/32/44/19/210324419.db2.gz KSPQVAHOQBMEJJ-UHFFFAOYSA-N 0 0 354.391 3.837 50 5 FHBARN CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(N)=O ZINC000001209382 210335252 /nfs/dbraw/zinc/33/52/52/210335252.db2.gz SCHXQYDEIPTCIK-UHFFFAOYSA-N 0 0 367.814 3.532 50 5 FHBARN COc1cc(C(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])cc1OC ZINC000001189895 210332449 /nfs/dbraw/zinc/33/24/49/210332449.db2.gz XGVRUEAIWWCYKH-UHFFFAOYSA-N 0 0 350.758 3.826 50 5 FHBARN COC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000001097960 210316987 /nfs/dbraw/zinc/31/69/87/210316987.db2.gz FGUNBJMTETUZHJ-UHFFFAOYSA-N 0 0 368.267 3.653 50 5 FHBARN COc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2c1 ZINC000001072212 210313849 /nfs/dbraw/zinc/31/38/49/210313849.db2.gz WQFVFHJJVUCINZ-UHFFFAOYSA-N 0 0 367.405 3.674 50 5 biogenic,in-vitro FHBARN CCOc1ccc([C@@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OC ZINC000001069720 210313595 /nfs/dbraw/zinc/31/35/95/210313595.db2.gz FIZMCCKJDIVIBC-SFHVURJKSA-N 0 0 357.362 3.854 50 5 FHBARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000000837618 210278914 /nfs/dbraw/zinc/27/89/14/210278914.db2.gz KWCUYJSFZWJSCJ-GFCCVEGCSA-N 0 0 373.796 3.548 50 5 FHBARN CCOc1ccccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000783707 210271405 /nfs/dbraw/zinc/27/14/05/210271405.db2.gz NMTZCQIZAFXHKT-UHFFFAOYSA-N 0 0 373.390 3.621 50 5 FHBARN CCCC(=O)Nc1ccc(C(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000022052214 220376084 /nfs/dbraw/zinc/37/60/84/220376084.db2.gz DLDUDAKRONYQHM-UHFFFAOYSA-N 0 0 356.378 3.904 50 5 FHBARN Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000024214743 220445240 /nfs/dbraw/zinc/44/52/40/220445240.db2.gz DDUGDAMPBATCFH-UHFFFAOYSA-N 0 0 351.765 3.538 50 5 FHBARN Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000048325619 221007968 /nfs/dbraw/zinc/00/79/68/221007968.db2.gz UTMXRSHQJGRWSA-UHFFFAOYSA-N 0 0 354.284 3.940 50 5 FHBARN COC(=O)c1ccc([N+](=O)[O-])c(OCc2coc(-c3cccc(F)c3)n2)c1 ZINC000048342852 221008918 /nfs/dbraw/zinc/00/89/18/221008918.db2.gz UTAHZEWOORQQGV-UHFFFAOYSA-N 0 0 372.308 3.755 50 5 FHBARN COc1ccc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000064808960 221153007 /nfs/dbraw/zinc/15/30/07/221153007.db2.gz WDHCWPMSKDYUEC-SFHVURJKSA-N 0 0 352.390 3.896 50 5 FHBARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)no1 ZINC000064984833 221162069 /nfs/dbraw/zinc/16/20/69/221162069.db2.gz HQYCNFHEOXXEED-INIZCTEOSA-N 0 0 374.397 3.913 50 5 FHBARN O=C(Nc1ccc(Cl)cc1)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000071775248 221374918 /nfs/dbraw/zinc/37/49/18/221374918.db2.gz JVCGOPRBYKQELR-UHFFFAOYSA-N 0 0 356.769 3.745 50 5 FHBARN Cc1ccc([C@@H]2CCCCN2c2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 ZINC000079017326 132192675 /nfs/dbraw/zinc/19/26/75/132192675.db2.gz AFFJARLCVWKRMV-INIZCTEOSA-N 0 0 364.405 3.643 50 5 FHBARN Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 ZINC000004896570 132254922 /nfs/dbraw/zinc/25/49/22/132254922.db2.gz DSTODDWRLIZQIW-UHFFFAOYSA-N 0 0 369.421 3.609 50 5 FHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000998014 132379451 /nfs/dbraw/zinc/37/94/51/132379451.db2.gz UQPUYOVXUSKZDE-RUDMXATFSA-N 0 0 371.824 3.610 50 5 FHBARN Cc1cccc(N2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000001135686 132380418 /nfs/dbraw/zinc/38/04/18/132380418.db2.gz QZFQQJONGCUNNY-ZHACJKMWSA-N 0 0 365.433 3.574 50 5 FHBARN C[C@H]1CN(c2ccc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000004054428 132386304 /nfs/dbraw/zinc/38/63/04/132386304.db2.gz IMADVXJZSHNWTC-STQMWFEESA-N 0 0 372.381 3.860 50 5 FHBARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004895855 132825094 /nfs/dbraw/zinc/82/50/94/132825094.db2.gz SMBYWCJHHGTKKK-UHFFFAOYSA-N 0 0 369.377 3.566 50 5 FHBARN Cc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000012555092 132860422 /nfs/dbraw/zinc/86/04/22/132860422.db2.gz YZYZKZGWXNJSOM-UHFFFAOYSA-N 0 0 371.412 3.575 50 5 FHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033333754 132932547 /nfs/dbraw/zinc/93/25/47/132932547.db2.gz PSWYOBRYMKJHGW-TWGQIWQCSA-N 0 0 371.824 3.610 50 5 FHBARN CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000048287450 136123215 /nfs/dbraw/zinc/12/32/15/136123215.db2.gz LXQXFAOAFAGSJB-UHFFFAOYSA-N 0 0 357.385 3.613 50 5 FHBARN COc1cccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000055291819 136126457 /nfs/dbraw/zinc/12/64/57/136126457.db2.gz YMPLMWOHEOESDR-UHFFFAOYSA-N 0 0 361.829 3.579 50 5 FHBARN O=C(CCN1CCN(c2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000058445959 136131790 /nfs/dbraw/zinc/13/17/90/136131790.db2.gz PPHNPXNBZCYMOU-UHFFFAOYSA-N 0 0 373.840 3.643 50 5 FHBARN O=C(NC[C@@H]1CCCCN1c1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000072310233 136144280 /nfs/dbraw/zinc/14/42/80/136144280.db2.gz PYISQUSEKNZQLY-INIZCTEOSA-N 0 0 357.385 3.523 50 5 FHBARN CCC(=O)Nc1cccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1C ZINC000096997691 222148987 /nfs/dbraw/zinc/14/89/87/222148987.db2.gz WPZVZGPHHGTCMC-KHPPLWFESA-N 0 0 353.378 3.904 50 5 FHBARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008209092 263353164 /nfs/dbraw/zinc/35/31/64/263353164.db2.gz UPFGVNNGVHQHQH-UHFFFAOYSA-N 0 0 370.390 3.684 50 5 FHBARN O=C(CCOc1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)F)cc1 ZINC000031489510 263392027 /nfs/dbraw/zinc/39/20/27/263392027.db2.gz KTDFDOZZJOPAPM-UHFFFAOYSA-N 0 0 352.293 3.604 50 5 FHBARN CCN(Cc1ccccc1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012515279 535787792 /nfs/dbraw/zinc/78/77/92/535787792.db2.gz XRKZIKQKUKVKOT-UHFFFAOYSA-N 0 0 367.449 3.860 50 5 FHBARN CCc1cc(N2CC(C)(C)OC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170612224 536143686 /nfs/dbraw/zinc/14/36/86/536143686.db2.gz DAWUHGUDUUYOBQ-ZDUSSCGKSA-N 0 0 356.426 3.618 50 5 FHBARN Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004822492 570498811 /nfs/dbraw/zinc/49/88/11/570498811.db2.gz FZADMTCPPRPIQV-UHFFFAOYSA-N 0 0 365.183 3.683 50 5 FHBARN Cc1c(C(=O)N2CCCC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931039 570562002 /nfs/dbraw/zinc/56/20/02/570562002.db2.gz NGHJRGRHMMRHCB-UHFFFAOYSA-N 0 0 356.407 3.515 50 5 FHBARN CN(CCOc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000408512942 570563798 /nfs/dbraw/zinc/56/37/98/570563798.db2.gz UUZYERRHOCXFLE-UHFFFAOYSA-N 0 0 370.739 3.677 50 5 FHBARN COC(=O)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1C ZINC000003667858 570567505 /nfs/dbraw/zinc/56/75/05/570567505.db2.gz VKPOJJKREKDAFU-UHFFFAOYSA-N 0 0 371.392 3.599 50 5 FHBARN Cc1cccc(NC(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)c1 ZINC000004984069 570571351 /nfs/dbraw/zinc/57/13/51/570571351.db2.gz ZUXPEEYVDZKXJO-MRXNPFEDSA-N 0 0 355.394 3.746 50 5 FHBARN Cc1cc(C)c(NC(=S)NC(=O)C=Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004119047 570576859 /nfs/dbraw/zinc/57/68/59/570576859.db2.gz JKGIKZIECFLUSU-VMPITWQZSA-N 0 0 373.409 3.877 50 5 FHBARN COc1ccccc1Nc1cc(N2CCCCC2)c2nonc2c1[N+](=O)[O-] ZINC000005092666 570583759 /nfs/dbraw/zinc/58/37/59/570583759.db2.gz BMGCNRKQXQTQTO-UHFFFAOYSA-N 0 0 369.381 3.874 50 5 FHBARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005118514 570586678 /nfs/dbraw/zinc/58/66/78/570586678.db2.gz BXYVGGDUQIHPAK-NSHDSACASA-N 0 0 362.769 3.857 50 5 FHBARN CN(C)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1 ZINC000005129074 570587317 /nfs/dbraw/zinc/58/73/17/570587317.db2.gz XGCAOKDMVHOVHZ-UHFFFAOYSA-N 0 0 353.338 3.861 50 5 FHBARN O=C(NC1CC1)[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000011837631 570595983 /nfs/dbraw/zinc/59/59/83/570595983.db2.gz FZYGMOUAPHXGCM-INIZCTEOSA-N 0 0 364.760 3.786 50 5 FHBARN Cc1ccc(-n2nc(C)c(=O)c3c4nc5ccccc5n4c(C)nc32)cc1C ZINC000005206674 570633632 /nfs/dbraw/zinc/63/36/32/570633632.db2.gz WZTGSVALNOQHFV-UHFFFAOYSA-N 0 0 369.428 3.815 50 5 FHBARN CC[C@@H]1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000033926745 570633633 /nfs/dbraw/zinc/63/36/33/570633633.db2.gz HWXXVUJFLTWVEW-AOIWGVFYSA-N 0 0 369.377 3.874 50 5 FHBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)Cc3ccc(F)cc3)nc21 ZINC000005268273 570642847 /nfs/dbraw/zinc/64/28/47/570642847.db2.gz CXCOZASTVFXICL-UHFFFAOYSA-N 0 0 361.354 3.533 50 5 FHBARN CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-] ZINC000005315724 570646899 /nfs/dbraw/zinc/64/68/99/570646899.db2.gz RSVPPPHXAASNOL-UHFFFAOYSA-N 0 0 350.297 3.730 50 5 in-vitro FHBARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc([N+](=O)[O-])c3)NC(=O)CN21 ZINC000005374203 570650496 /nfs/dbraw/zinc/65/04/96/570650496.db2.gz DMGWHSWYTXBYCB-GLCJEOIMSA-N 0 0 363.417 3.540 50 5 FHBARN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1N1CCCC1=O ZINC000005439978 570656010 /nfs/dbraw/zinc/65/60/10/570656010.db2.gz VOCQZSLCXKBBSK-UHFFFAOYSA-N 0 0 373.796 3.936 50 5 FHBARN CCSc1nnc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000005450480 570656880 /nfs/dbraw/zinc/65/68/80/570656880.db2.gz FETMTLFVNFJOGT-MRVPVSSYSA-N 0 0 370.481 3.678 50 5 FHBARN CN(Cc1ccccc1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005569833 570673435 /nfs/dbraw/zinc/67/34/35/570673435.db2.gz CTPSMDLZNPNBAW-UHFFFAOYSA-N 0 0 353.422 3.857 50 5 FHBARN CCOc1ccc2[nH]c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000005625455 570681678 /nfs/dbraw/zinc/68/16/78/570681678.db2.gz DLBLIVGHSPLLKT-UHFFFAOYSA-N 0 0 372.406 3.601 50 5 FHBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NCCC1=CCCCC1 ZINC000032777318 570795439 /nfs/dbraw/zinc/79/54/39/570795439.db2.gz QNTPYVIQVMKTEA-UHFFFAOYSA-N 0 0 361.423 3.835 50 5 FHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000032789251 570801388 /nfs/dbraw/zinc/80/13/88/570801388.db2.gz FBPUXRCPORUHNR-LLVKDONJSA-N 0 0 372.352 3.750 50 5 FHBARN Cc1nc(CSCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cs1 ZINC000032796447 570803275 /nfs/dbraw/zinc/80/32/75/570803275.db2.gz TXUXEOLWOKVLQW-UHFFFAOYSA-N 0 0 351.453 3.930 50 5 FHBARN C[C@@H]1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000032803812 570805492 /nfs/dbraw/zinc/80/54/92/570805492.db2.gz CDFODLITSRMLLS-AOOOYVTPSA-N 0 0 366.215 3.519 50 5 FHBARN CNc1ccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004508918 570807160 /nfs/dbraw/zinc/80/71/60/570807160.db2.gz XFAMUBCRLLGKDS-UHFFFAOYSA-N 0 0 372.421 3.579 50 5 FHBARN CCOC(=O)c1oc2ccccc2c1COc1ccc(C)nc1[N+](=O)[O-] ZINC000005699621 570818207 /nfs/dbraw/zinc/81/82/07/570818207.db2.gz PRCRPCCIIPBGJR-UHFFFAOYSA-N 0 0 356.334 3.800 50 5 FHBARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005715400 570843567 /nfs/dbraw/zinc/84/35/67/570843567.db2.gz BRIUPTBYGXOUQV-UHFFFAOYSA-N 0 0 371.227 3.654 50 5 FHBARN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1c1ccsc1 ZINC000044539303 570897817 /nfs/dbraw/zinc/89/78/17/570897817.db2.gz MHXYSWRJFPFTHE-KRWDZBQOSA-N 0 0 368.418 3.819 50 5 FHBARN CN(Cc1ccc(Cl)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048343102 570948711 /nfs/dbraw/zinc/94/87/11/570948711.db2.gz VRHFJDLVYPMXQU-UHFFFAOYSA-N 0 0 357.801 3.596 50 5 FHBARN O=C(Nc1nc2ccc(F)cn2n1)c1cc2ccccc2c2cccnc12 ZINC000225437840 571035373 /nfs/dbraw/zinc/03/53/73/571035373.db2.gz QCGLOCWETHIPQM-UHFFFAOYSA-N 0 0 357.348 3.822 50 5 FHBARN C[C@H](Nc1ccc(C(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052916337 571048661 /nfs/dbraw/zinc/04/86/61/571048661.db2.gz VKWKXVUVOIAPKN-AWEZNQCLSA-N 0 0 354.410 3.789 50 5 FHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1cnc2ccccc21 ZINC000025832905 571056024 /nfs/dbraw/zinc/05/60/24/571056024.db2.gz VXQIQEPKUJGSEF-AWEZNQCLSA-N 0 0 352.394 3.554 50 5 FHBARN O=[N+]([O-])c1c(Sc2nnc(-c3cccs3)o2)nc2sccn21 ZINC000008778669 571061526 /nfs/dbraw/zinc/06/15/26/571061526.db2.gz GKJVDYSIWVUOCX-UHFFFAOYSA-N 0 0 351.394 3.567 50 5 FHBARN CCOc1cc([N+](=O)[O-])c(C(=O)NCCCCc2ccccc2)cc1OC ZINC000040018305 571068308 /nfs/dbraw/zinc/06/83/08/571068308.db2.gz QXDLJCKMMPZSAV-UHFFFAOYSA-N 0 0 372.421 3.755 50 5 FHBARN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cc([N+](=O)[O-])c1 ZINC000040074643 571073247 /nfs/dbraw/zinc/07/32/47/571073247.db2.gz IXNYWJLMKSROCC-QMMMGPOBSA-N 0 0 368.798 3.587 50 5 FHBARN O=Cc1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000009219792 571101585 /nfs/dbraw/zinc/10/15/85/571101585.db2.gz KIABCWDTZNPYSK-CQSZACIVSA-N 0 0 350.378 3.668 50 5 FHBARN Nc1nc(Nc2cccc(F)c2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000009328365 571105103 /nfs/dbraw/zinc/10/51/03/571105103.db2.gz QHMQBXCMQUHXFA-UHFFFAOYSA-N 0 0 358.308 3.732 50 5 FHBARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000009364162 571106491 /nfs/dbraw/zinc/10/64/91/571106491.db2.gz FLHIOVPZACZUGL-UHFFFAOYSA-N 0 0 370.434 3.731 50 5 FHBARN Cc1nn(CSc2c(F)c(F)c(F)c(F)c2F)c(C)c1[N+](=O)[O-] ZINC000002785833 571113465 /nfs/dbraw/zinc/11/34/65/571113465.db2.gz YCEVPCJWDYVWPM-UHFFFAOYSA-N 0 0 353.272 3.853 50 5 FHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012813084 571114090 /nfs/dbraw/zinc/11/40/90/571114090.db2.gz QWBALOXUINMSND-KRWDZBQOSA-N 0 0 368.389 3.733 50 5 FHBARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004622093 571114942 /nfs/dbraw/zinc/11/49/42/571114942.db2.gz LUGJEJNPJGZCKR-UHFFFAOYSA-N 0 0 373.434 3.819 50 5 FHBARN CN(CC(=O)Nc1c(F)cccc1F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000009690525 571116998 /nfs/dbraw/zinc/11/69/98/571116998.db2.gz AHRDKWHVYLGLEH-UHFFFAOYSA-N 0 0 369.755 3.597 50 5 FHBARN Cc1cc(N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)n1 ZINC000009690074 571117107 /nfs/dbraw/zinc/11/71/07/571117107.db2.gz DPFPPBSNDIEIED-MRXNPFEDSA-N 0 0 369.469 3.700 50 5 FHBARN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCSc3ccc(F)cc31)OCO2 ZINC000071008970 571118949 /nfs/dbraw/zinc/11/89/49/571118949.db2.gz DKEOIWIVRPNDRC-ZDUSSCGKSA-N 0 0 362.382 3.789 50 5 FHBARN COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000006085188 571119110 /nfs/dbraw/zinc/11/91/10/571119110.db2.gz PJTDWTJMWBZMQK-UHFFFAOYSA-N 0 0 351.742 3.527 50 5 FHBARN O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009970813 571122064 /nfs/dbraw/zinc/12/20/64/571122064.db2.gz LMTPZJLLEYCVMJ-OAHLLOKOSA-N 0 0 351.318 3.772 50 5 FHBARN Cc1ccc(S(=O)(=O)Oc2cccc3nc4ccccc4nc32)cc1 ZINC000247997673 571126910 /nfs/dbraw/zinc/12/69/10/571126910.db2.gz BTTJQQGIKRJZMI-UHFFFAOYSA-N 0 0 350.399 3.859 50 5 FHBARN COc1ccc2c(c1)c(O)c1c(=O)c3ccccc3oc1c2OC(C)=O ZINC000075271281 571158791 /nfs/dbraw/zinc/15/87/91/571158791.db2.gz HIXWSJBCTBGKCM-UHFFFAOYSA-N 0 0 350.326 3.739 50 5 FHBARN COc1ccc(NC(=O)CCn2c3ccccc3oc2=S)c([N+](=O)[O-])c1 ZINC000004686764 571160124 /nfs/dbraw/zinc/16/01/24/571160124.db2.gz JULTXXIOJSWWBW-UHFFFAOYSA-N 0 0 373.390 3.909 50 5 FHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000004694302 571161842 /nfs/dbraw/zinc/16/18/42/571161842.db2.gz NTCJLCQZHKYUGK-UHFFFAOYSA-N 0 0 364.785 3.891 50 5 FHBARN COc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004695563 571162136 /nfs/dbraw/zinc/16/21/36/571162136.db2.gz RAVYRUISGPKEJZ-UHFFFAOYSA-N 0 0 365.183 3.927 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000002507081 571162555 /nfs/dbraw/zinc/16/25/55/571162555.db2.gz 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CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000076017600 571203965 /nfs/dbraw/zinc/20/39/65/571203965.db2.gz SWCRCHGOCRUROA-SFHVURJKSA-N 0 0 357.410 3.646 50 5 FHBARN Cc1nn(CCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] ZINC000006526331 571207181 /nfs/dbraw/zinc/20/71/81/571207181.db2.gz DXNMMILOKHEMMF-KMYSJOAASA-N 0 0 374.485 3.519 50 5 FHBARN CC(C)Cn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1 ZINC000006814832 571247902 /nfs/dbraw/zinc/24/79/02/571247902.db2.gz WEBYDJIGWVSBRC-UHFFFAOYSA-N 0 0 359.429 3.571 50 5 FHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000036394152 571252779 /nfs/dbraw/zinc/25/27/79/571252779.db2.gz NVCNGFNXTKUOPA-WCQYABFASA-N 0 0 361.320 3.606 50 5 FHBARN O=[N+]([O-])c1ccccc1NCCNc1ncnc2sc3c(c21)CCC3 ZINC000007365900 571264952 /nfs/dbraw/zinc/26/49/52/571264952.db2.gz STAAZKXAKNFFEI-UHFFFAOYSA-N 0 0 355.423 3.612 50 5 FHBARN O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000007651333 571285323 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FHBARN Cc1c(NC(=O)c2ccc(N3CCCCCC3)nc2)cccc1[N+](=O)[O-] ZINC000029754157 571342812 /nfs/dbraw/zinc/34/28/12/571342812.db2.gz HCNDOLSWCZUGBW-UHFFFAOYSA-N 0 0 354.410 3.931 50 5 FHBARN O=C(NCc1ccco1)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000002957464 571342918 /nfs/dbraw/zinc/34/29/18/571342918.db2.gz APLLZXGLKNZHCC-UHFFFAOYSA-N 0 0 369.380 3.524 50 5 FHBARN CCCOc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002984816 571343244 /nfs/dbraw/zinc/34/32/44/571343244.db2.gz OBTOLAXSWQTRQF-UHFFFAOYSA-N 0 0 359.407 3.510 50 5 FHBARN Cc1cc(C)c(C(=O)COC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000003323040 571347334 /nfs/dbraw/zinc/34/73/34/571347334.db2.gz JOEOFURTVTYLCB-RMKNXTFCSA-N 0 0 353.374 3.959 50 5 FHBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1Cl ZINC000003330042 571347537 /nfs/dbraw/zinc/34/75/37/571347537.db2.gz VQRNBYXMUYOHQB-UHFFFAOYSA-N 0 0 367.716 3.611 50 5 FHBARN O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000003349602 571347995 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/nfs/dbraw/zinc/80/98/84/210809884.db2.gz OTAKCTHMKCYZIV-UHFFFAOYSA-N 0 0 357.391 3.880 50 5 FHBARN O=C1CCCc2[nH]c(=O)c(-c3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc21 ZINC000008592675 210792352 /nfs/dbraw/zinc/79/23/52/210792352.db2.gz GEIFUGUDRGMOME-UHFFFAOYSA-N 0 0 367.386 3.593 50 5 FHBARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007915967 210760639 /nfs/dbraw/zinc/76/06/39/210760639.db2.gz LUDKDVRYIIVJAI-UHFFFAOYSA-N 0 0 350.378 3.579 50 5 FHBARN CC(=O)N(c1nc(COc2cccnc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000007549796 210743277 /nfs/dbraw/zinc/74/32/77/210743277.db2.gz ZLFIIJHIIGHKBX-UHFFFAOYSA-N 0 0 370.390 3.710 50 5 FHBARN Cc1c(OCC(=O)Nc2ccccn2)ccc2c3ccccc3c(=O)oc12 ZINC000006662278 210686810 /nfs/dbraw/zinc/68/68/10/210686810.db2.gz BIKGXDIEBUPGFA-UHFFFAOYSA-N 0 0 360.369 3.667 50 5 FHBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000006524153 210676722 /nfs/dbraw/zinc/67/67/22/210676722.db2.gz HZOROHZGJBVODB-MRXNPFEDSA-N 0 0 368.433 3.843 50 5 FHBARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000006315244 210666809 /nfs/dbraw/zinc/66/68/09/210666809.db2.gz PVZMDZIHSHZSHT-UHFFFAOYSA-N 0 0 356.407 3.521 50 5 FHBARN C[C@H](Cc1cccs1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004881394 210574637 /nfs/dbraw/zinc/57/46/37/210574637.db2.gz SEWGTZVDVLLSAH-CYBMUJFWSA-N 0 0 359.451 3.618 50 5 FHBARN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccccc1[N+](=O)[O-] ZINC000004820939 210566787 /nfs/dbraw/zinc/56/67/87/210566787.db2.gz UOIDYPILOYIRCS-UHFFFAOYSA-N 0 0 367.386 3.580 50 5 FHBARN COc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000004856464 210571320 /nfs/dbraw/zinc/57/13/20/210571320.db2.gz RBZQZPFCXXVFEX-UHFFFAOYSA-N 0 0 370.283 3.640 50 5 FHBARN Cc1ccc(/C=C/C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000004676022 210550129 /nfs/dbraw/zinc/55/01/29/210550129.db2.gz VKMQAGRIASETQI-CSKARUKUSA-N 0 0 355.419 3.738 50 5 FHBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000004590104 210544074 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O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)Nc1ccc(F)cc1 ZINC000002246466 210387370 /nfs/dbraw/zinc/38/73/70/210387370.db2.gz OKIIQXLJYVBALX-UHFFFAOYSA-N 0 0 372.381 3.855 50 5 FHBARN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000002069179 210378203 /nfs/dbraw/zinc/37/82/03/210378203.db2.gz KXXJVFMPAXUEPZ-UHFFFAOYSA-N 0 0 352.306 3.612 50 5 FHBARN CC(C)c1nc2oc3ccccc3c(=O)c2c(=O)n1CCc1ccccc1 ZINC000002212836 210383432 /nfs/dbraw/zinc/38/34/32/210383432.db2.gz DUYHKNXONINWTJ-UHFFFAOYSA-N 0 0 360.413 3.869 50 5 FHBARN Cc1ccc2cccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2n1 ZINC000002162731 210381197 /nfs/dbraw/zinc/38/11/97/210381197.db2.gz APPNFIWNYVCWBH-UHFFFAOYSA-N 0 0 358.375 3.528 50 5 FHBARN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N(CC)C1=S ZINC000001167391 210329569 /nfs/dbraw/zinc/32/95/69/210329569.db2.gz DQPDTGFXZPCTNB-RVDMUPIBSA-N 0 0 371.418 3.665 50 5 FHBARN COC(=O)c1cn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 ZINC000001170324 210329292 /nfs/dbraw/zinc/32/92/92/210329292.db2.gz MBESVYRKJJTMEM-UHFFFAOYSA-N 0 0 358.737 3.678 50 5 FHBARN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000001157320 210328169 /nfs/dbraw/zinc/32/81/69/210328169.db2.gz XQEUJVBUVFFFHR-UHFFFAOYSA-N 0 0 374.809 3.943 50 5 FHBARN O=C(COc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001140199 210324917 /nfs/dbraw/zinc/32/49/17/210324917.db2.gz YLGGSQLANACRKH-UHFFFAOYSA-N 0 0 363.782 3.875 50 5 FHBARN O=C(Cc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000001183424 210332797 /nfs/dbraw/zinc/33/27/97/210332797.db2.gz STXLWUKUPYYRMU-UHFFFAOYSA-N 0 0 353.147 3.678 50 5 FHBARN CCc1c(C)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(N)=O ZINC000001116594 210320056 /nfs/dbraw/zinc/32/00/56/210320056.db2.gz NMRKQNIQJIMBHK-UHFFFAOYSA-N 0 0 367.814 3.532 50 5 FHBARN Cc1nn([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000001067543 210311625 /nfs/dbraw/zinc/31/16/25/210311625.db2.gz MRJSLFIOTYQJHS-JTQLQIEISA-N 0 0 356.304 3.627 50 5 FHBARN O=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 ZINC000001022421 210302930 /nfs/dbraw/zinc/30/29/30/210302930.db2.gz UTBITCARMYVFAD-WUXMJOGZSA-N 0 0 350.739 3.832 50 5 FHBARN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001002283 210300725 /nfs/dbraw/zinc/30/07/25/210300725.db2.gz WSLRXBMCHRHMFD-UHFFFAOYSA-N 0 0 356.769 3.745 50 5 FHBARN O=[N+]([O-])c1ccc(-c2csc(COc3ccc4nonc4c3)n2)cc1 ZINC000001039238 210305829 /nfs/dbraw/zinc/30/58/29/210305829.db2.gz PRLWNOLCJWTWPI-UHFFFAOYSA-N 0 0 354.347 3.834 50 5 FHBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)cccc1-c1nc2ncccc2o1 ZINC000000830413 210277906 /nfs/dbraw/zinc/27/79/06/210277906.db2.gz DLMGJYALOGMYEL-UHFFFAOYSA-N 0 0 364.317 3.952 50 5 FHBARN CCn1c2ccccc2c(NCCc2ccc(OC)cc2)c([N+](=O)[O-])c1=O ZINC000009328414 210271162 /nfs/dbraw/zinc/27/11/62/210271162.db2.gz PZZGQYFYRTWFFA-UHFFFAOYSA-N 0 0 367.405 3.593 50 5 FHBARN CSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000000805188 210274425 /nfs/dbraw/zinc/27/44/25/210274425.db2.gz MMPIDXIPABNAER-HNNXBMFYSA-N 0 0 367.390 3.672 50 5 FHBARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])o1 ZINC000000800764 210272843 /nfs/dbraw/zinc/27/28/43/210272843.db2.gz SWLQAKOUPZETBK-UHFFFAOYSA-N 0 0 350.290 3.643 50 5 FHBARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000024752082 220459705 /nfs/dbraw/zinc/45/97/05/220459705.db2.gz ZYVYMICNHUNSFC-UHFFFAOYSA-N 0 0 356.712 3.852 50 5 FHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000032789255 220680475 /nfs/dbraw/zinc/68/04/75/220680475.db2.gz FBPUXRCPORUHNR-NSHDSACASA-N 0 0 372.352 3.750 50 5 FHBARN C[C@H]1CC(=O)c2c1c(Cl)ccc2OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000032815509 220684269 /nfs/dbraw/zinc/68/42/69/220684269.db2.gz XRSVUDVZLBPZRA-JTQLQIEISA-N 0 0 374.780 3.956 50 5 FHBARN CSc1cc(C(=O)COc2cccc([N+](=O)[O-])c2)ccc1NC(C)=O ZINC000043242958 220946070 /nfs/dbraw/zinc/94/60/70/220946070.db2.gz XBZPVONVLXYHIH-UHFFFAOYSA-N 0 0 360.391 3.537 50 5 FHBARN COc1ccc(NC(=O)[C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000048364409 221011625 /nfs/dbraw/zinc/01/16/25/221011625.db2.gz ZMIFHMJIKKYLOZ-LJQANCHMSA-N 0 0 369.421 3.515 50 5 FHBARN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000057369038 221087522 /nfs/dbraw/zinc/08/75/22/221087522.db2.gz PLOHKMIZTMBAOA-CQSZACIVSA-N 0 0 356.378 3.795 50 5 FHBARN CCN(C[C@@H]1CCCO1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000058130406 221098098 /nfs/dbraw/zinc/09/80/98/221098098.db2.gz QCLLCPHQLSVQLU-KRWDZBQOSA-N 0 0 354.406 3.831 50 5 FHBARN CC(C)OC(=O)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000071796239 221376310 /nfs/dbraw/zinc/37/63/10/221376310.db2.gz STTHJBDSUTVNTG-MRXNPFEDSA-N 0 0 371.393 3.799 50 5 FHBARN O=C(Cc1ccccc1Cl)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000071799100 221377400 /nfs/dbraw/zinc/37/74/00/221377400.db2.gz LPGNKMBWNMOKBG-UHFFFAOYSA-N 0 0 356.769 3.820 50 5 FHBARN CC[C@@H]1CCCCN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000008184151 132259453 /nfs/dbraw/zinc/25/94/53/132259453.db2.gz NQBJSLWYBLIVJE-SNVBAGLBSA-N 0 0 366.361 3.657 50 5 FHBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C)o1 ZINC000005337698 132828083 /nfs/dbraw/zinc/82/80/83/132828083.db2.gz ZWTVNACLLCVFBB-LLVKDONJSA-N 0 0 363.801 3.501 50 5 FHBARN C[C@H]1CCCN(c2ccc(-c3n[nH]c(=O)c4ccccc43)cc2[N+](=O)[O-])C1 ZINC000034641008 136117807 /nfs/dbraw/zinc/11/78/07/136117807.db2.gz RONCACUJIDMPEP-ZDUSSCGKSA-N 0 0 364.405 3.735 50 5 FHBARN COc1ccccc1N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000055543957 136127075 /nfs/dbraw/zinc/12/70/75/136127075.db2.gz DVQAETAAGAOFIB-UHFFFAOYSA-N 0 0 361.829 3.579 50 5 FHBARN O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000057140010 136128278 /nfs/dbraw/zinc/12/82/78/136128278.db2.gz FXAZDHOSAJMEHO-UHFFFAOYSA-N 0 0 360.345 3.723 50 5 FHBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000057449515 136129311 /nfs/dbraw/zinc/12/93/11/136129311.db2.gz UQVVTMLGONPDGU-UHFFFAOYSA-N 0 0 364.405 3.572 50 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FHBARN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(Oc3ccccn3)c2)cc1 ZINC000012609641 571191007 /nfs/dbraw/zinc/19/10/07/571191007.db2.gz DEUMUZZYIBPYCQ-UHFFFAOYSA-N 0 0 372.358 3.550 50 5 FHBARN Cn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccc(F)c1 ZINC000013956322 571200515 /nfs/dbraw/zinc/20/05/15/571200515.db2.gz SQDRYRXUPIMRNH-UHFFFAOYSA-N 0 0 372.381 3.504 50 5 FHBARN O=C(NC[C@@H]1CCCO1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000006542730 571208590 /nfs/dbraw/zinc/20/85/90/571208590.db2.gz JMCDJPNPLXKXCH-AWEZNQCLSA-N 0 0 358.419 3.655 50 5 FHBARN CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004733326 571227113 /nfs/dbraw/zinc/22/71/13/571227113.db2.gz LUAUTPCBCXZGDT-KONDSOJQSA-N 0 0 363.417 3.622 50 5 FHBARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)s1 ZINC000004744902 571230646 /nfs/dbraw/zinc/23/06/46/571230646.db2.gz ZZHFRCGDZCMDLN-UHFFFAOYSA-N 0 0 353.208 3.764 50 5 FHBARN Cc1cc(OS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000006626143 571237781 /nfs/dbraw/zinc/23/77/81/571237781.db2.gz UIAHQKITDVGGAX-UHFFFAOYSA-N 0 0 362.190 3.978 50 5 FHBARN CC(C)CCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1 ZINC000006767972 571245645 /nfs/dbraw/zinc/24/56/45/571245645.db2.gz DLGGQSAWZBANIW-UHFFFAOYSA-N 0 0 373.456 3.962 50 5 FHBARN Cc1c(C(=O)NC(C)C)nn(C(C)(C)C)c1Oc1ccccc1[N+](=O)[O-] ZINC000006775789 571246078 /nfs/dbraw/zinc/24/60/78/571246078.db2.gz HXNSEFUQJJQQBV-UHFFFAOYSA-N 0 0 360.414 3.785 50 5 FHBARN O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006862922 571251171 /nfs/dbraw/zinc/25/11/71/571251171.db2.gz AJMQGWLAZKNXCK-UHFFFAOYSA-N 0 0 354.790 3.700 50 5 FHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000036394151 571252844 /nfs/dbraw/zinc/25/28/44/571252844.db2.gz NVCNGFNXTKUOPA-DGCLKSJQSA-N 0 0 361.320 3.606 50 5 FHBARN COc1ccc(C(=O)Oc2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000007058460 571259711 /nfs/dbraw/zinc/25/97/11/571259711.db2.gz BDCNTANZSBNBMW-UHFFFAOYSA-N 0 0 370.130 3.724 50 5 FHBARN COC(=O)c1cc(C(=O)N[C@H](c2cccs2)C(C)C)cc([N+](=O)[O-])c1 ZINC000007078192 571260665 /nfs/dbraw/zinc/26/06/65/571260665.db2.gz NMYMSEPOYMQCCI-HNNXBMFYSA-N 0 0 362.407 3.570 50 5 FHBARN C[C@H](OC(=O)Cc1cccc(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007113821 571260965 /nfs/dbraw/zinc/26/09/65/571260965.db2.gz MLAGKZQQBOEVKD-NSHDSACASA-N 0 0 371.324 3.631 50 5 FHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccc2c(c1)OCO2 ZINC000004583048 571271040 /nfs/dbraw/zinc/27/10/40/571271040.db2.gz CHBDBBXGHKHULN-UHFFFAOYSA-N 0 0 350.714 3.726 50 5 FHBARN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C12CCCCC2 ZINC000170638946 571276752 /nfs/dbraw/zinc/27/67/52/571276752.db2.gz UAKFENKKHXGGRL-IAGOWNOFSA-N 0 0 364.417 3.934 50 5 FHBARN NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=Nc1cccc2ccccc21 ZINC000252666087 571292296 /nfs/dbraw/zinc/29/22/96/571292296.db2.gz AMAXHYNGTVZQDG-UHFFFAOYSA-N 0 0 359.341 3.826 50 5 FHBARN Cc1ccc2[nH]c([C@H]3CCCN3CCOc3ccccc3[N+](=O)[O-])nc2c1 ZINC000253431855 571316425 /nfs/dbraw/zinc/31/64/25/571316425.db2.gz XVLQOPBGGMCENO-GOSISDBHSA-N 0 0 366.421 3.995 50 5 FHBARN O=C1COc2ccc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2N1 ZINC000055050591 571318501 /nfs/dbraw/zinc/31/85/01/571318501.db2.gz YNQABLUKJHVRNP-UHFFFAOYSA-N 0 0 353.359 3.716 50 5 FHBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccnc1 ZINC000012633864 571322569 /nfs/dbraw/zinc/32/25/69/571322569.db2.gz KRWCVSJCMMTYRL-UHFFFAOYSA-N 0 0 357.313 3.739 50 5 FHBARN Cc1ccc(OCc2ccc(C(=O)Nc3cccnc3)o2)c([N+](=O)[O-])c1 ZINC000012649501 571322624 /nfs/dbraw/zinc/32/26/24/571322624.db2.gz NJJIAXNIPDUXMV-UHFFFAOYSA-N 0 0 353.334 3.723 50 5 FHBARN CC1CCN(c2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])CC1 ZINC000020897851 571331905 /nfs/dbraw/zinc/33/19/05/571331905.db2.gz VICAPZPOXWEYSP-UHFFFAOYSA-N 0 0 365.393 3.943 50 5 FHBARN COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1[N+](=O)[O-] ZINC000007967728 571333856 /nfs/dbraw/zinc/33/38/56/571333856.db2.gz YQHUBZJYXXTKES-UHFFFAOYSA-N 0 0 359.363 3.881 50 5 FHBARN CCCC(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002667180 571340243 /nfs/dbraw/zinc/34/02/43/571340243.db2.gz CEJIZRUNPCIGNF-LLVKDONJSA-N 0 0 354.621 3.619 50 5 FHBARN Cc1c(C(=O)NCCSc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000002720998 571340467 /nfs/dbraw/zinc/34/04/67/571340467.db2.gz NQYXXQPDLOQAEU-UHFFFAOYSA-N 0 0 355.419 3.907 50 5 FHBARN Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(C)cc2)o1 ZINC000002764372 571340826 /nfs/dbraw/zinc/34/08/26/571340826.db2.gz UCXHROCPMINVMR-UHFFFAOYSA-N 0 0 374.784 3.955 50 5 FHBARN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000002890173 571341481 /nfs/dbraw/zinc/34/14/81/571341481.db2.gz ZGXKAZQMVHDDOL-UHFFFAOYSA-N 0 0 368.418 3.848 50 5 FHBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(Cl)cc1 ZINC000002886212 571341508 /nfs/dbraw/zinc/34/15/08/571341508.db2.gz FTKHGHFXVKQZMT-UHFFFAOYSA-N 0 0 357.197 3.825 50 5 FHBARN CCOC(=O)c1sc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1C ZINC000003129597 571344948 /nfs/dbraw/zinc/34/49/48/571344948.db2.gz AXAPUSQHQVMXAX-UHFFFAOYSA-N 0 0 369.380 3.596 50 5 FHBARN Cc1cc(OC(=O)c2ccco2)c(Sc2ccccc2[N+](=O)[O-])c(=O)o1 ZINC000003206256 571345531 /nfs/dbraw/zinc/34/55/31/571345531.db2.gz JZZOZDSYDXLBSN-UHFFFAOYSA-N 0 0 373.342 3.820 50 5 FHBARN CSc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000003347613 571348046 /nfs/dbraw/zinc/34/80/46/571348046.db2.gz CKHVBIFTZAJXEL-CYBMUJFWSA-N 0 0 359.451 3.776 50 5 FHBARN CCc1cccc2c(C(=O)COC(=O)c3ccc([N+](=O)[O-])s3)c[nH]c21 ZINC000003380947 571348774 /nfs/dbraw/zinc/34/87/74/571348774.db2.gz PXWQEPOPSFZYOW-UHFFFAOYSA-N 0 0 358.375 3.740 50 5 aggregator FHBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(C)no3)cc2C)c1 ZINC000058173454 571349051 /nfs/dbraw/zinc/34/90/51/571349051.db2.gz VMNUUTMKZVNXTN-UHFFFAOYSA-N 0 0 368.349 3.523 50 5 FHBARN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC000031021169 571350291 /nfs/dbraw/zinc/35/02/91/571350291.db2.gz BGNAOOHBTKJYFD-MBNYWOFBSA-N 0 0 350.415 3.557 50 5 FHBARN O=[N+]([O-])c1cc(CSc2ncnc3ccccc32)c2c(c1)COCO2 ZINC000003536687 571350850 /nfs/dbraw/zinc/35/08/50/571350850.db2.gz SNFFFKOOETTYTR-UHFFFAOYSA-N 0 0 355.375 3.697 50 5 FHBARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000031483035 571352576 /nfs/dbraw/zinc/35/25/76/571352576.db2.gz SMUIXKPWBRZCPE-HZMBPMFUSA-N 0 0 357.341 3.581 50 5 FHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003893876 571352934 /nfs/dbraw/zinc/35/29/34/571352934.db2.gz ARYAFKUNYYSYCU-UHFFFAOYSA-N 0 0 360.313 3.723 50 5 FHBARN CCC(CC)C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000003893236 571352983 /nfs/dbraw/zinc/35/29/83/571352983.db2.gz KABYBQWBMGBLKA-UHFFFAOYSA-N 0 0 360.439 3.902 50 5 FHBARN Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2c([N+](=O)[O-])c1 ZINC000003902695 571353042 /nfs/dbraw/zinc/35/30/42/571353042.db2.gz WQMMKRMRWVVWQT-UHFFFAOYSA-N 0 0 358.335 3.673 50 5 FHBARN CCCCOC(=O)c1ccc(Nc2c3nonc3ccc2[N+](=O)[O-])cc1 ZINC000003904293 571353088 /nfs/dbraw/zinc/35/30/88/571353088.db2.gz DLPXQSMOLXHRSO-UHFFFAOYSA-N 0 0 356.338 3.832 50 5 FHBARN COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000003957293 571353455 /nfs/dbraw/zinc/35/34/55/571353455.db2.gz OMVCDMJKIGXSCZ-UHFFFAOYSA-N 0 0 358.394 3.918 50 5 FHBARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004120322 571355661 /nfs/dbraw/zinc/35/56/61/571355661.db2.gz QHBXHKKYTNIIRJ-UHFFFAOYSA-N 0 0 369.446 3.957 50 5 FHBARN CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000008076697 571358873 /nfs/dbraw/zinc/35/88/73/571358873.db2.gz FSZFVDJOANNPLT-UHFFFAOYSA-N 0 0 353.378 3.650 50 5 FHBARN O=C(OCc1nc2ccccc2o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008192412 571359787 /nfs/dbraw/zinc/35/97/87/571359787.db2.gz QOZBSBCQLXRLPH-UHFFFAOYSA-N 0 0 367.361 3.693 50 5 FHBARN CCOc1c([N+](=O)[O-])cc2c(C)c(Br)c(=O)oc2c1OCC ZINC000003173049 939020221 /nfs/dbraw/zinc/02/02/21/939020221.db2.gz JVHBOSSWLVHAQQ-UHFFFAOYSA-N 0 0 372.171 3.570 50 5 FHBARN Cc1cc(OC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000000670514 219311734 /nfs/dbraw/zinc/31/17/34/219311734.db2.gz PXAOSFBYCUPLPJ-UHFFFAOYSA-N 0 0 366.167 3.650 50 5 FHBARN CCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(c2ccc(Cl)cc2)C1 ZINC000000825698 219326472 /nfs/dbraw/zinc/32/64/72/219326472.db2.gz ONALEILBEBSSML-GOSISDBHSA-N 0 0 373.796 3.705 50 5 FHBARN COc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000822600 219326748 /nfs/dbraw/zinc/32/67/48/219326748.db2.gz QHMCFFBBTGJOFP-RIYZIHGNSA-N 0 0 358.737 3.601 50 5 FHBARN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cc([N+](=O)[O-])ccc1Cl ZINC000001069958 219364322 /nfs/dbraw/zinc/36/43/22/219364322.db2.gz ZZDYSIRHSFAQQR-UHFFFAOYSA-N 0 0 356.668 3.822 50 5 FHBARN CCOc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCC ZINC000001078373 219365252 /nfs/dbraw/zinc/36/52/52/219365252.db2.gz ZXCXBKGZWLABRJ-UHFFFAOYSA-N 0 0 360.366 3.653 50 5 FHBARN COC(=O)c1cc(C(=O)Nc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 ZINC000001097964 219368266 /nfs/dbraw/zinc/36/82/66/219368266.db2.gz DNQSIBXGMBKJNE-UHFFFAOYSA-N 0 0 369.160 3.941 50 5 FHBARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000001117458 219373228 /nfs/dbraw/zinc/37/32/28/219373228.db2.gz ZJKNCOWIRNGSEQ-UHFFFAOYSA-N 0 0 371.393 3.840 50 5 FHBARN CC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000001134028 219378139 /nfs/dbraw/zinc/37/81/39/219378139.db2.gz DKNRTPRVEOWASV-LBPRGKRZSA-N 0 0 353.330 3.725 50 5 FHBARN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000001156939 219382282 /nfs/dbraw/zinc/38/22/82/219382282.db2.gz RNBLPWCYKMOITO-UHFFFAOYSA-N 0 0 365.183 3.683 50 5 FHBARN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccco1 ZINC000001166172 219384741 /nfs/dbraw/zinc/38/47/41/219384741.db2.gz GZNCMWBKSPZEFS-UHFFFAOYSA-N 0 0 351.318 3.692 50 5 FHBARN COC(=O)c1cc(C(=O)Nc2nc3ccc(C)cc3s2)cc([N+](=O)[O-])c1 ZINC000001180660 219385919 /nfs/dbraw/zinc/38/59/19/219385919.db2.gz VUMZYIAQZOBHMZ-UHFFFAOYSA-N 0 0 371.374 3.552 50 5 FHBARN COC(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000001206962 219389062 /nfs/dbraw/zinc/38/90/62/219389062.db2.gz DHLITBMGGTUXNG-UHFFFAOYSA-N 0 0 368.267 3.653 50 5 FHBARN COc1cc2c(cc1OC)CN(C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000001226207 219391386 /nfs/dbraw/zinc/39/13/86/219391386.db2.gz CCWIMBIGBIRCFQ-FNORWQNLSA-N 0 0 354.406 3.684 50 5 FHBARN O=C(Nc1ccccc1C(=O)Nc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000001296991 219394193 /nfs/dbraw/zinc/39/41/93/219394193.db2.gz PWYORBBJLWLGEF-UHFFFAOYSA-N 0 0 368.374 3.556 50 5 FHBARN Cc1ccc(C(=O)NCCSc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000002721035 219459464 /nfs/dbraw/zinc/45/94/64/219459464.db2.gz PWDOQMLKOXCTGD-UHFFFAOYSA-N 0 0 355.419 3.907 50 5 FHBARN COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000003416554 219507401 /nfs/dbraw/zinc/50/74/01/219507401.db2.gz JIGORAUPQZJFNH-UHFFFAOYSA-N 0 0 373.390 3.954 50 5 FHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccncc2)cs1 ZINC000004063233 219538103 /nfs/dbraw/zinc/53/81/03/219538103.db2.gz QCEXTNAGQHAYRV-ZZXKWVIFSA-N 0 0 352.375 3.765 50 5 FHBARN Cc1ccc(CSC2=NCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004120389 219545404 /nfs/dbraw/zinc/54/54/04/219545404.db2.gz ROOOAYIUBRCTTK-UHFFFAOYSA-N 0 0 355.419 3.648 50 5 FHBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@H]2Sc1ccc(Cl)cc1 ZINC000004362757 219570026 /nfs/dbraw/zinc/57/00/26/219570026.db2.gz QWRXSTSPNBVTHW-CYBMUJFWSA-N 0 0 355.824 3.869 50 5 FHBARN C[C@@H]1CCCCN1C(=O)c1cc(C(=O)N2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000004558057 219586137 /nfs/dbraw/zinc/58/61/37/219586137.db2.gz XPXVZZHVJGJKSG-HUUCEWRRSA-N 0 0 373.453 3.624 50 5 FHBARN COc1ccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004644325 219591929 /nfs/dbraw/zinc/59/19/29/219591929.db2.gz IDBBJXNARNUMRX-JYRVWZFOSA-N 0 0 358.737 3.601 50 5 FHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000004749430 219604514 /nfs/dbraw/zinc/60/45/14/219604514.db2.gz PURMSRIQDSWSRL-UHFFFAOYSA-N 0 0 370.796 3.674 50 5 FHBARN Cc1ccc([C@@H]2N(c3ccc([N+](=O)[O-])cc3)C(=S)N3CCCN23)cc1 ZINC000004845727 219613570 /nfs/dbraw/zinc/61/35/70/219613570.db2.gz YABIUEWYLJPONW-KRWDZBQOSA-N 0 0 354.435 3.630 50 5 FHBARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccccc1[N+](=O)[O-] ZINC000005137389 219654295 /nfs/dbraw/zinc/65/42/95/219654295.db2.gz MDEMYPMVWINRID-UHFFFAOYSA-N 0 0 371.393 3.830 50 5 FHBARN Cc1nc(Nc2ccc(O)cc2)c([N+](=O)[O-])c(Nc2ccc(O)cc2)n1 ZINC000005390716 219675039 /nfs/dbraw/zinc/67/50/39/219675039.db2.gz TUSUKUFAJDILTG-UHFFFAOYSA-N 0 0 353.338 3.592 50 5 FHBARN O=C(Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1)C1CCCC1 ZINC000006740662 219765092 /nfs/dbraw/zinc/76/50/92/219765092.db2.gz NJWOSRYRBIJMGO-UHFFFAOYSA-N 0 0 364.452 3.867 50 5 FHBARN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007889758 219832424 /nfs/dbraw/zinc/83/24/24/219832424.db2.gz HEJVJOKVBKYBAM-LJQANCHMSA-N 0 0 368.414 3.941 50 5 FHBARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000009314536 219877308 /nfs/dbraw/zinc/87/73/08/219877308.db2.gz LMWRDZKYGHERLD-UHFFFAOYSA-N 0 0 355.394 3.638 50 5 FHBARN CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009722290 219885232 /nfs/dbraw/zinc/88/52/32/219885232.db2.gz CTJYPCZCFIHNLT-UHFFFAOYSA-N 0 0 366.377 3.696 50 5 FHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c1C ZINC000010677840 219908868 /nfs/dbraw/zinc/90/88/68/219908868.db2.gz LCMISASDVNWCDD-GOSISDBHSA-N 0 0 360.435 3.641 50 5 FHBARN O=C(NC1CC1)[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000011837632 219935591 /nfs/dbraw/zinc/93/55/91/219935591.db2.gz FZYGMOUAPHXGCM-MRXNPFEDSA-N 0 0 364.760 3.786 50 5 FHBARN C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000012547757 220006281 /nfs/dbraw/zinc/00/62/81/220006281.db2.gz AEZJCYLAPCCCJT-LLVKDONJSA-N 0 0 365.393 3.536 50 5 FHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012577627 220009844 /nfs/dbraw/zinc/00/98/44/220009844.db2.gz NLTPBOCWUNFKRU-PEKVBPLLSA-N 0 0 362.389 3.848 50 5 FHBARN C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000012589298 220010587 /nfs/dbraw/zinc/01/05/87/220010587.db2.gz FVXKDTYGTGIWER-GFCCVEGCSA-N 0 0 362.817 3.721 50 5 FHBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000012822166 220033711 /nfs/dbraw/zinc/03/37/11/220033711.db2.gz HOIGGGMXBLUSEQ-ZDUSSCGKSA-N 0 0 354.362 3.906 50 5 FHBARN O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012999116 220050664 /nfs/dbraw/zinc/05/06/64/220050664.db2.gz PUQBLBLNZRVUIR-UHFFFAOYSA-N 0 0 373.796 3.527 50 5 FHBARN CCOc1cccc(COC(=O)c2cccc([N+](=O)[O-])c2)c1OC(F)F ZINC000013001041 220051712 /nfs/dbraw/zinc/05/17/12/220051712.db2.gz WAUDEKMCJRBLME-UHFFFAOYSA-N 0 0 367.304 3.952 50 5 FHBARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000013010837 220052509 /nfs/dbraw/zinc/05/25/09/220052509.db2.gz RCLUFEIEEHWLOT-MRXNPFEDSA-N 0 0 370.405 3.898 50 5 FHBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1 ZINC000014223795 220117657 /nfs/dbraw/zinc/11/76/57/220117657.db2.gz KQWJWRMHVWCZCE-UHFFFAOYSA-N 0 0 368.414 3.990 50 5 FHBARN COc1ccc2oc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c(C)c2c1 ZINC000014198757 220115715 /nfs/dbraw/zinc/11/57/15/220115715.db2.gz YVVPFGDPCGCNOW-UHFFFAOYSA-N 0 0 356.334 3.919 50 5 FHBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014429906 220124589 /nfs/dbraw/zinc/12/45/89/220124589.db2.gz DNVMUJZOHZKXCO-UHFFFAOYSA-N 0 0 353.300 3.932 50 5 FHBARN Cc1c(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cccc1[N+](=O)[O-] ZINC000015520151 220154402 /nfs/dbraw/zinc/15/44/02/220154402.db2.gz WQHXDLPYGCCHNR-UHFFFAOYSA-N 0 0 362.389 3.830 50 5 FHBARN C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000015599877 220157240 /nfs/dbraw/zinc/15/72/40/220157240.db2.gz CGTPXKQCBUUWOW-MMQHEFTJSA-N 0 0 354.362 3.556 50 5 FHBARN O=C1NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc21 ZINC000015662095 220158150 /nfs/dbraw/zinc/15/81/50/220158150.db2.gz IAIGNXDBWMUHFD-WJDWOHSUSA-N 0 0 360.325 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220205116 /nfs/dbraw/zinc/20/51/16/220205116.db2.gz VHJBLGFRRKYSGG-ZROIWOOFSA-N 0 0 373.752 3.514 50 5 FHBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1cccc2cccnc21 ZINC000019205856 220238696 /nfs/dbraw/zinc/23/86/96/220238696.db2.gz YXULOVWJXQURFB-UHFFFAOYSA-N 0 0 350.378 3.974 50 5 FHBARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000019164703 220238812 /nfs/dbraw/zinc/23/88/12/220238812.db2.gz CPWOQPNYGYTJRU-UHFFFAOYSA-N 0 0 350.378 3.958 50 5 FHBARN O=C(NC1CCCCC1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020177630 220318034 /nfs/dbraw/zinc/31/80/34/220318034.db2.gz CHMVXMAENQUYEE-UHFFFAOYSA-N 0 0 372.469 3.779 50 5 FHBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1ccc(C(C)C)cc1 ZINC000021091070 220350233 /nfs/dbraw/zinc/35/02/33/220350233.db2.gz UULLBGTWRDIWBY-IBGZPJMESA-N 0 0 353.378 3.957 50 5 FHBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2Cl)O[C@H]1c1cccc(F)c1 ZINC000021091429 220351008 /nfs/dbraw/zinc/35/10/08/220351008.db2.gz FYHKHXQNQZTMLJ-INIZCTEOSA-N 0 0 363.732 3.626 50 5 FHBARN COC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc([N+](=O)[O-])cc21 ZINC000021658094 220362684 /nfs/dbraw/zinc/36/26/84/220362684.db2.gz HUXQSOBMMGMJEL-UHFFFAOYSA-N 0 0 356.309 3.501 50 5 FHBARN O=[N+]([O-])c1c(N2CCC(c3nc4ccccc4[nH]3)CC2)nc2sccn21 ZINC000022318153 220382442 /nfs/dbraw/zinc/38/24/42/220382442.db2.gz RPHDLQGLVOZPQJ-UHFFFAOYSA-N 0 0 368.422 3.564 50 5 FHBARN CCCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040030646 220872188 /nfs/dbraw/zinc/87/21/88/220872188.db2.gz RIAINKNLDRQRSH-MRXNPFEDSA-N 0 0 371.393 3.679 50 5 FHBARN CN(c1ccccc1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040158483 220893839 /nfs/dbraw/zinc/89/38/39/220893839.db2.gz OBUZASOJOQXRJY-UHFFFAOYSA-N 0 0 354.410 3.728 50 5 FHBARN C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000045830361 220974879 /nfs/dbraw/zinc/97/48/79/220974879.db2.gz UMEGBHFIVRRNEQ-SECBINFHSA-N 0 0 374.740 3.611 50 5 FHBARN Cc1ccc(NC(=O)c2nnc(COc3ccccc3[N+](=O)[O-])s2)cc1 ZINC000048312473 221007205 /nfs/dbraw/zinc/00/72/05/221007205.db2.gz IXFYXSXNGFERCX-UHFFFAOYSA-N 0 0 370.390 3.586 50 5 FHBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000048554659 221013330 /nfs/dbraw/zinc/01/33/30/221013330.db2.gz BXIKQDOWVAVQTB-UHFFFAOYSA-N 0 0 359.338 3.759 50 5 FHBARN Cc1cc(NC[C@H]2Cc3ccccc3O2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048265656 221004137 /nfs/dbraw/zinc/00/41/37/221004137.db2.gz PNQOAYUPNPBRMF-QGZVFWFLSA-N 0 0 362.389 3.776 50 5 FHBARN Cc1ccc2oc3nc(N)c(-c4nc5ccccc5n4C)cc3c(=O)c2c1 ZINC000049597420 221026474 /nfs/dbraw/zinc/02/64/74/221026474.db2.gz LRZAKTWHASIBSY-UHFFFAOYSA-N 0 0 356.385 3.786 50 5 FHBARN Cc1sc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000054283900 221052135 /nfs/dbraw/zinc/05/21/35/221052135.db2.gz XCKHLRZDLJDKFT-GFCCVEGCSA-N 0 0 350.371 3.748 50 5 FHBARN Cc1ccc(OCc2cccc(C(=O)N3CCCCC3)c2)c([N+](=O)[O-])n1 ZINC000054913623 221056811 /nfs/dbraw/zinc/05/68/11/221056811.db2.gz NMONQWRYERZERV-UHFFFAOYSA-N 0 0 355.394 3.503 50 5 FHBARN Cc1cccc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000055943297 221076395 /nfs/dbraw/zinc/07/63/95/221076395.db2.gz WLGNUUPPIYEOQP-DLBZAZTESA-N 0 0 358.369 3.692 50 5 FHBARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1CC1[N+](=O)[O-] ZINC000058406071 221117610 /nfs/dbraw/zinc/11/76/10/221117610.db2.gz WPRYVQVLRDPQCT-KOLCDFICSA-N 0 0 372.233 3.644 50 5 FHBARN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000058417513 221118240 /nfs/dbraw/zinc/11/82/40/221118240.db2.gz WAXUOWXZBVGPAH-UHFFFAOYSA-N 0 0 362.389 3.700 50 5 FHBARN CC(C)[C@H](NCc1cccc([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 ZINC000069170090 221321127 /nfs/dbraw/zinc/32/11/27/221321127.db2.gz YAVAWGVNUQOSFL-INIZCTEOSA-N 0 0 353.382 3.527 50 5 FHBARN Cc1cccc(C(=O)NCCCc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000069349295 221323793 /nfs/dbraw/zinc/32/37/93/221323793.db2.gz NQBZMCQVWMEZRF-UHFFFAOYSA-N 0 0 359.451 3.601 50 5 FHBARN Cc1cccc(N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000001181638 132380891 /nfs/dbraw/zinc/38/08/91/132380891.db2.gz MHNYXXLZJJDQHP-MDZDMXLPSA-N 0 0 365.433 3.574 50 5 FHBARN CC1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000003908825 132386049 /nfs/dbraw/zinc/38/60/49/132386049.db2.gz PNEGUXGVJRQSJO-UHFFFAOYSA-N 0 0 364.405 3.735 50 5 FHBARN COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000004978158 132825533 /nfs/dbraw/zinc/82/55/33/132825533.db2.gz BFHJMLDCDBCOCW-UHFFFAOYSA-N 0 0 355.394 3.846 50 5 FHBARN O=[N+]([O-])c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000055543200 136127065 /nfs/dbraw/zinc/12/70/65/136127065.db2.gz VPUAKYMPELBFHE-UHFFFAOYSA-N 0 0 365.355 3.936 50 5 FHBARN Cc1cccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000089688881 221740735 /nfs/dbraw/zinc/74/07/35/221740735.db2.gz WQUVUUNOFSATND-INIZCTEOSA-N 0 0 370.405 3.716 50 5 FHBARN CCCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)C1CCC1 ZINC000096278629 222109686 /nfs/dbraw/zinc/10/96/86/222109686.db2.gz JAHLSGKSKAUJDC-UHFFFAOYSA-N 0 0 372.425 3.616 50 5 FHBARN O=C(CSC1=N[C@@H]2Nc3ccccc3[C@@H]2N=N1)c1ccc([N+](=O)[O-])cc1 ZINC000096191571 222071332 /nfs/dbraw/zinc/07/13/32/222071332.db2.gz AQUFQFGFIGASOB-HOTGVXAUSA-N 0 0 367.390 3.825 50 5 FHBARN CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1C(=O)CCCC1=N2 ZINC000102674963 222304291 /nfs/dbraw/zinc/30/42/91/222304291.db2.gz ORECHXZYRQMFBR-HNNXBMFYSA-N 0 0 371.422 3.970 50 5 FHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000105888980 222378442 /nfs/dbraw/zinc/37/84/42/222378442.db2.gz ZUNKPEVBEFIOPG-CHWSQXEVSA-N 0 0 352.394 3.585 50 5 FHBARN Cc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000004616602 263335035 /nfs/dbraw/zinc/33/50/35/263335035.db2.gz FVTMDCCYANUOPE-UHFFFAOYSA-N 0 0 373.372 3.889 50 5 FHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000004614574 263335246 /nfs/dbraw/zinc/33/52/46/263335246.db2.gz GUBIMAQHVNVDIO-UHFFFAOYSA-N 0 0 356.769 3.745 50 5 FHBARN C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005246259 263339729 /nfs/dbraw/zinc/33/97/29/263339729.db2.gz GXQARNNFIZCVMT-UHFFFAOYSA-N 0 0 368.389 3.590 50 5 FHBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1NC[C@H]1CCCO1 ZINC000008586985 263356825 /nfs/dbraw/zinc/35/68/25/263356825.db2.gz OWFBJIZMPGXASV-OAHLLOKOSA-N 0 0 366.377 3.903 50 5 FHBARN O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000031482973 263391884 /nfs/dbraw/zinc/39/18/84/263391884.db2.gz PMVVOLPRLZOLBW-UHFFFAOYSA-N 0 0 371.393 3.962 50 5 FHBARN Cc1cc(OCc2nc(N(C)Cc3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000328595013 534027574 /nfs/dbraw/zinc/02/75/74/534027574.db2.gz INQVWRGVGMPYPN-UHFFFAOYSA-N 0 0 354.366 3.502 50 5 FHBARN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(C(=O)N2CCCC2)cc1 ZINC000083115671 521281789 /nfs/dbraw/zinc/28/17/89/521281789.db2.gz FFIVGFRKURFDEI-UHFFFAOYSA-N 0 0 369.421 3.842 50 5 FHBARN Cc1ccc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000001170430 526047473 /nfs/dbraw/zinc/04/74/73/526047473.db2.gz VZPWDFBQAXTULH-UHFFFAOYSA-N 0 0 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FHBARN CCOC(=O)c1cc(C(=O)N(C)Cc2ccc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000008097490 571358925 /nfs/dbraw/zinc/35/89/25/571358925.db2.gz WARDJCNPTIORCW-UHFFFAOYSA-N 0 0 370.405 3.661 50 5 FHBARN Cc1ccc(F)cc1NC(=O)/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000096911698 932441614 /nfs/dbraw/zinc/44/16/14/932441614.db2.gz DRSGOMCDKGWSOH-HYXAFXHYSA-N 0 0 358.325 3.561 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Br)cc1 ZINC000000669900 219311665 /nfs/dbraw/zinc/31/16/65/219311665.db2.gz OARHXJUWBOYGSZ-UHFFFAOYSA-N 0 0 365.183 3.547 50 5 FHBARN O=C(c1ccccc1)N1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000851560 219331089 /nfs/dbraw/zinc/33/10/89/219331089.db2.gz KOWPCUWQBRFDAO-NRFANRHFSA-N 0 0 374.352 3.969 50 5 FHBARN COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000000834217 219328769 /nfs/dbraw/zinc/32/87/69/219328769.db2.gz ZERRAHSBASCLQK-UHFFFAOYSA-N 0 0 366.757 3.526 50 5 FHBARN COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000000834240 219329139 /nfs/dbraw/zinc/32/91/39/219329139.db2.gz WBPYQBBMVRQVIQ-UHFFFAOYSA-N 0 0 369.146 3.757 50 5 FHBARN COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000000904703 219338995 /nfs/dbraw/zinc/33/89/95/219338995.db2.gz OXZIRDOOWKLZRZ-UHFFFAOYSA-N 0 0 355.375 3.979 50 5 FHBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC1CCCCC1 ZINC000001059421 219360860 /nfs/dbraw/zinc/36/08/60/219360860.db2.gz OHWVMTQFUKYKQS-UHFFFAOYSA-N 0 0 351.453 3.746 50 5 FHBARN CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000001138806 219377589 /nfs/dbraw/zinc/37/75/89/219377589.db2.gz GNNJXLAJJNEMRG-MDZDMXLPSA-N 0 0 353.378 3.841 50 5 FHBARN O=C(Nc1nccs1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000001134571 219378019 /nfs/dbraw/zinc/37/80/19/219378019.db2.gz MINGTMVKBULXKP-UHFFFAOYSA-N 0 0 368.374 3.556 50 5 FHBARN Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1NC(=O)C(C)C ZINC000001141164 219378847 /nfs/dbraw/zinc/37/88/47/219378847.db2.gz XDWCAQWPBHIWKD-UHFFFAOYSA-N 0 0 356.378 3.855 50 5 FHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(Cl)cc2s1 ZINC000001143233 219380309 /nfs/dbraw/zinc/38/03/09/219380309.db2.gz QHPRHQASTJLERX-UHFFFAOYSA-N 0 0 363.782 3.875 50 5 FHBARN Cc1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000001180543 219385826 /nfs/dbraw/zinc/38/58/26/219385826.db2.gz VKWGHJSYCOSCON-VQHVLOKHSA-N 0 0 355.419 3.738 50 5 FHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccccc1Cl ZINC000001183557 219386802 /nfs/dbraw/zinc/38/68/02/219386802.db2.gz RVDUBZOHRILQKZ-CMDGGOBGSA-N 0 0 361.810 3.775 50 5 FHBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1nc(-c2ccccc2)cs1 ZINC000001206233 219388964 /nfs/dbraw/zinc/38/89/64/219388964.db2.gz MEEVTFUQWJDQOB-UHFFFAOYSA-N 0 0 351.343 3.519 50 5 FHBARN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000002053679 219423817 /nfs/dbraw/zinc/42/38/17/219423817.db2.gz JIDOOEHYZIAFQS-UHFFFAOYSA-N 0 0 373.434 3.901 50 5 FHBARN CCCCn1c(=O)nc2n(-c3ccc(F)cc3)c3ccccc3cc-2c1=O ZINC000002124417 219428524 /nfs/dbraw/zinc/42/85/24/219428524.db2.gz MFFISMNUQULKHW-UHFFFAOYSA-N 0 0 363.392 3.591 50 5 FHBARN O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 ZINC000002468327 219446480 /nfs/dbraw/zinc/44/64/80/219446480.db2.gz ASSWLQHUSCNWPJ-UHFFFAOYSA-N 0 0 372.381 3.650 50 5 FHBARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000002949878 219476957 /nfs/dbraw/zinc/47/69/57/219476957.db2.gz GIXAZDQLIRVTIA-GOSISDBHSA-N 0 0 372.402 3.719 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1SCCC2=O ZINC000003007420 219482507 /nfs/dbraw/zinc/48/25/07/219482507.db2.gz CVIYWWNIMXXMEI-UHFFFAOYSA-N 0 0 358.375 3.534 50 5 FHBARN COc1ccc(CCNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1OC ZINC000004065366 219538310 /nfs/dbraw/zinc/53/83/10/219538310.db2.gz KRTAFKARPWNUEE-UHFFFAOYSA-N 0 0 371.437 3.867 50 5 FHBARN C[C@H]1CC(=O)N(c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000004684280 219594854 /nfs/dbraw/zinc/59/48/54/219594854.db2.gz DQQXYHCCMVMWPL-NSHDSACASA-N 0 0 373.796 3.760 50 5 FHBARN O=C1CCC(=O)N1c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004684441 219596073 /nfs/dbraw/zinc/59/60/73/219596073.db2.gz CRLKGSBLYNZLLI-UHFFFAOYSA-N 0 0 359.769 3.514 50 5 FHBARN O=[N+]([O-])c1cccc(OCCOCCOc2cccc3cccnc32)c1 ZINC000004841440 219612365 /nfs/dbraw/zinc/61/23/65/219612365.db2.gz OQSOVJLTHVGADQ-UHFFFAOYSA-N 0 0 354.362 3.617 50 5 FHBARN CC[C@H](C)NC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C ZINC000004931075 219625977 /nfs/dbraw/zinc/62/59/77/219625977.db2.gz VVJMHGJLQRIMRA-JTQLQIEISA-N 0 0 358.423 3.808 50 5 FHBARN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc([N+](=O)[O-])cc1 ZINC000004989920 219634360 /nfs/dbraw/zinc/63/43/60/219634360.db2.gz JNHHAORIYCGJKA-UHFFFAOYSA-N 0 0 372.377 3.627 50 5 FHBARN CCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1 ZINC000005345472 219671963 /nfs/dbraw/zinc/67/19/63/219671963.db2.gz ZCQZOALJAIUFIN-UHFFFAOYSA-N 0 0 359.429 3.716 50 5 FHBARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000005439863 219678995 /nfs/dbraw/zinc/67/89/95/219678995.db2.gz ZAAGJWAMKYCZMP-UHFFFAOYSA-N 0 0 359.769 3.627 50 5 FHBARN O=c1c2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])sn1-c1ccc(F)c(Cl)c1 ZINC000006668336 219745411 /nfs/dbraw/zinc/74/54/11/219745411.db2.gz YXYPHECATYPGTA-UHFFFAOYSA-N 0 0 369.717 3.661 50 5 FHBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000006830986 219775116 /nfs/dbraw/zinc/77/51/16/219775116.db2.gz HLJMUGRCONBRJE-UHFFFAOYSA-N 0 0 353.300 3.932 50 5 FHBARN COc1ccc(CSc2nnc(C)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000007367558 219801728 /nfs/dbraw/zinc/80/17/28/219801728.db2.gz UROYMICFLJYHRD-UHFFFAOYSA-N 0 0 356.407 3.785 50 5 FHBARN Cc1nc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nc(C)c1C ZINC000007239023 219796845 /nfs/dbraw/zinc/79/68/45/219796845.db2.gz ARJJXNPSKKQYBG-UHFFFAOYSA-N 0 0 366.830 3.694 50 5 FHBARN CCOC(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2C)cc([N+](=O)[O-])c1 ZINC000007830215 219830555 /nfs/dbraw/zinc/83/05/55/219830555.db2.gz WUXFTYONEAQLJA-LLVKDONJSA-N 0 0 374.418 3.593 50 5 FHBARN O=C(CSc1nccn1C1CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008725643 219867567 /nfs/dbraw/zinc/86/75/67/219867567.db2.gz SUINROZMXHDCLK-UHFFFAOYSA-N 0 0 352.803 3.510 50 5 FHBARN CCN(CC)C(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000009458811 219880782 /nfs/dbraw/zinc/88/07/82/219880782.db2.gz KQBFAGOWBHHJEE-UHFFFAOYSA-N 0 0 355.394 3.638 50 5 FHBARN COc1ccc(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000012521531 220001609 /nfs/dbraw/zinc/00/16/09/220001609.db2.gz POTJJWBQLRITCG-UHFFFAOYSA-N 0 0 374.396 3.707 50 5 FHBARN Nc1ccc(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000012511834 220001900 /nfs/dbraw/zinc/00/19/00/220001900.db2.gz DGXLHDHQCAABMD-UHFFFAOYSA-N 0 0 373.752 3.842 50 5 FHBARN Cc1ccccc1OCCN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000012594625 220010992 /nfs/dbraw/zinc/01/09/92/220010992.db2.gz ADKXJSMUWKYXCQ-UHFFFAOYSA-N 0 0 371.437 3.633 50 5 FHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000012634326 220016059 /nfs/dbraw/zinc/01/60/59/220016059.db2.gz RKOUGYTUVNLWHA-NSHDSACASA-N 0 0 368.349 3.605 50 5 FHBARN Cc1ccc(F)cc1NC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012686475 220018408 /nfs/dbraw/zinc/01/84/08/220018408.db2.gz DRSGOMCDKGWSOH-HWKANZROSA-N 0 0 358.325 3.561 50 5 FHBARN Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000012766597 220027160 /nfs/dbraw/zinc/02/71/60/220027160.db2.gz CPSLFCNJKHHJNC-OAHLLOKOSA-N 0 0 356.378 3.713 50 5 FHBARN CC(C)n1ncc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cnc21 ZINC000012772728 220028229 /nfs/dbraw/zinc/02/82/29/220028229.db2.gz FOWKNXVBJDHVBA-UHFFFAOYSA-N 0 0 359.773 3.826 50 5 FHBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000012800535 220031827 /nfs/dbraw/zinc/03/18/27/220031827.db2.gz QWSQUUIYDDQWOT-UHFFFAOYSA-N 0 0 363.801 3.867 50 5 FHBARN COC(=O)c1cc(C(=O)N2CCCSc3ccccc32)cc([N+](=O)[O-])c1 ZINC000012821201 220034004 /nfs/dbraw/zinc/03/40/04/220034004.db2.gz SPVJUMAZLZLMOW-UHFFFAOYSA-N 0 0 372.402 3.524 50 5 FHBARN CC(C)n1ncc2cc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)cnc21 ZINC000012866260 220036965 /nfs/dbraw/zinc/03/69/65/220036965.db2.gz GGEAUSIFEGVCBN-CYBMUJFWSA-N 0 0 367.409 3.754 50 5 FHBARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000012905083 220041238 /nfs/dbraw/zinc/04/12/38/220041238.db2.gz GVKCMNNNFBKQRP-CHWSQXEVSA-N 0 0 374.466 3.782 50 5 FHBARN Cc1cccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000012953434 220045993 /nfs/dbraw/zinc/04/59/93/220045993.db2.gz PPPYTJRHYAAMBR-MRXNPFEDSA-N 0 0 356.378 3.713 50 5 FHBARN CCOc1cc2c(cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000012988372 220049868 /nfs/dbraw/zinc/04/98/68/220049868.db2.gz NRESWBFSGCGYDT-LBPRGKRZSA-N 0 0 356.378 3.878 50 5 FHBARN O=C1S/C(=C\c2ccccc2F)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000013546626 220071966 /nfs/dbraw/zinc/07/19/66/220071966.db2.gz OAIIYVQBCASVED-DHDCSXOGSA-N 0 0 358.350 3.970 50 5 FHBARN Cc1cc2c(ncnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000014076116 220104354 /nfs/dbraw/zinc/10/43/54/220104354.db2.gz AABIOGILHALVKN-UHFFFAOYSA-N 0 0 360.420 3.639 50 5 FHBARN COc1cc(CCNC(=O)CCC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000016143294 220178913 /nfs/dbraw/zinc/17/89/13/220178913.db2.gz RPRDLUJOLYSNSU-UHFFFAOYSA-N 0 0 364.442 3.631 50 5 FHBARN COc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000016300438 220182747 /nfs/dbraw/zinc/18/27/47/220182747.db2.gz NEWYWLLKZVUYKO-CYBMUJFWSA-N 0 0 362.382 3.709 50 5 FHBARN CC[C@H]1c2ccsc2CCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000016778166 220193828 /nfs/dbraw/zinc/19/38/28/220193828.db2.gz JJOVPVQHKPEMAP-HNNXBMFYSA-N 0 0 374.418 3.593 50 5 FHBARN O=C(c1ccccc1)c1ccc(Nc2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000020666690 220337468 /nfs/dbraw/zinc/33/74/68/220337468.db2.gz NPGNPJCCDYBDRU-UHFFFAOYSA-N 0 0 374.356 3.739 50 5 FHBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@@H]1c1c(C)cc(C)cc1C ZINC000020946084 220345725 /nfs/dbraw/zinc/34/57/25/220345725.db2.gz STOPTLQHHWDKOO-LJQANCHMSA-N 0 0 353.378 3.759 50 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571352152 /nfs/dbraw/zinc/35/21/52/571352152.db2.gz IPZQQHGRHKQRST-UHFFFAOYSA-N 0 0 368.227 3.741 50 5 FHBARN O=[N+]([O-])c1cccc(-c2noc(CSc3ncnc4ccccc43)n2)c1 ZINC000031841124 571354007 /nfs/dbraw/zinc/35/40/07/571354007.db2.gz WWNNANVXYZFBCM-UHFFFAOYSA-N 0 0 365.374 3.880 50 5 FHBARN COc1ccc(OCc2cc(Cl)c3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000008129494 571359248 /nfs/dbraw/zinc/35/92/48/571359248.db2.gz FZWHYOASVSZSLS-UHFFFAOYSA-N 0 0 351.742 3.607 50 5 FHBARN C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008231663 571359945 /nfs/dbraw/zinc/35/99/45/571359945.db2.gz VJPBDLPMMOWYIS-NSHDSACASA-N 0 0 370.390 3.764 50 5 FHBARN CSc1ccccc1NC(=O)COC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000006379862 948420083 /nfs/dbraw/zinc/42/00/83/948420083.db2.gz KNKXYDIAHAEJNQ-KHPPLWFESA-N 0 0 372.402 3.512 50 5 FHBARN CCc1ccccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000790705 219321642 /nfs/dbraw/zinc/32/16/42/219321642.db2.gz YHNXLYKKNHZBAW-UHFFFAOYSA-N 0 0 357.391 3.784 50 5 FHBARN O=C(Oc1cccc(C(=S)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000866315 219333400 /nfs/dbraw/zinc/33/34/00/219333400.db2.gz LEZPFBXXBFZKLV-UHFFFAOYSA-N 0 0 370.430 3.975 50 5 FHBARN O=C(Oc1cccc(C(=S)N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000000885687 219336575 /nfs/dbraw/zinc/33/65/75/219336575.db2.gz WQJUJKOGOSLTEZ-UHFFFAOYSA-N 0 0 370.430 3.975 50 5 FHBARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000878040 219335259 /nfs/dbraw/zinc/33/52/59/219335259.db2.gz RGUPKGLMCHIULH-NSHDSACASA-N 0 0 373.434 3.941 50 5 FHBARN COCc1cc(C)nc2sc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)c(N)c21 ZINC000001026899 219355208 /nfs/dbraw/zinc/35/52/08/219355208.db2.gz XSMLADZMTDGAFH-UHFFFAOYSA-N 0 0 369.406 3.785 50 5 FHBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C[C@@H]2Sc1ccc(Cl)cc1 ZINC000001039408 219355665 /nfs/dbraw/zinc/35/56/65/219355665.db2.gz QWRXSTSPNBVTHW-ZDUSSCGKSA-N 0 0 355.824 3.869 50 5 FHBARN CC(C)(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000001005604 219352385 /nfs/dbraw/zinc/35/23/85/219352385.db2.gz CXEPJPBGHQDSSN-UHFFFAOYSA-N 0 0 354.819 3.941 50 5 FHBARN COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000001053031 219359352 /nfs/dbraw/zinc/35/93/52/219359352.db2.gz GTUDZEIUGHHJAX-UHFFFAOYSA-N 0 0 351.156 3.618 50 5 FHBARN Cc1ccc(-c2noc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000001062780 219361633 /nfs/dbraw/zinc/36/16/33/219361633.db2.gz SEGNIKGNNUPXMO-UHFFFAOYSA-N 0 0 352.350 3.525 50 5 FHBARN COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000001072978 219364683 /nfs/dbraw/zinc/36/46/83/219364683.db2.gz LTSQLQSSNULQRV-UHFFFAOYSA-N 0 0 354.406 3.845 50 5 biogenic FHBARN COc1ccccc1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O ZINC000001086356 219367712 /nfs/dbraw/zinc/36/77/12/219367712.db2.gz RPFRNQCVVNMTRZ-JYRVWZFOSA-N 0 0 358.737 3.601 50 5 FHBARN O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCOCC1 ZINC000001108221 219370439 /nfs/dbraw/zinc/37/04/39/219370439.db2.gz UKIVBITXCWHPSS-UHFFFAOYSA-N 0 0 362.769 3.513 50 5 FHBARN CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C)c1CC ZINC000001113209 219371279 /nfs/dbraw/zinc/37/12/79/219371279.db2.gz REOWVMCJDZIGPU-UHFFFAOYSA-N 0 0 362.407 3.956 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001138574 219378005 /nfs/dbraw/zinc/37/80/05/219378005.db2.gz PYGRUGPCCRBLPG-UHFFFAOYSA-N 0 0 367.357 3.778 50 5 FHBARN Cc1cc(C(=O)Nc2ccc(Br)c(C)n2)ccc1[N+](=O)[O-] ZINC000001130400 219377270 /nfs/dbraw/zinc/37/72/70/219377270.db2.gz GZKOBAULZVGXJU-UHFFFAOYSA-N 0 0 350.172 3.621 50 5 FHBARN COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000001140311 219379264 /nfs/dbraw/zinc/37/92/64/219379264.db2.gz VWZDKXRVVQQQDH-UHFFFAOYSA-N 0 0 362.411 3.755 50 5 FHBARN CCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 ZINC000001144745 219379806 /nfs/dbraw/zinc/37/98/06/219379806.db2.gz DKSNUUJNMXXLKS-UHFFFAOYSA-N 0 0 355.423 3.951 50 5 FHBARN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000001144971 219380684 /nfs/dbraw/zinc/38/06/84/219380684.db2.gz OWGPMMPNKQCKMU-UHFFFAOYSA-N 0 0 353.762 3.514 50 5 FHBARN O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C/c1ccc(Br)cc1 ZINC000001156958 219382746 /nfs/dbraw/zinc/38/27/46/219382746.db2.gz XYZPTFQIOFGEEX-UKTHLTGXSA-N 0 0 373.162 3.702 50 5 FHBARN O=C(Nc1nccs1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000001163114 219383510 /nfs/dbraw/zinc/38/35/10/219383510.db2.gz ORTDYYVAFCFUIY-UHFFFAOYSA-N 0 0 368.374 3.556 50 5 FHBARN COc1cccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000001166255 219384570 /nfs/dbraw/zinc/38/45/70/219384570.db2.gz OREYDSZLECYBFB-MHWRWJLKSA-N 0 0 370.386 3.840 50 5 FHBARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000001204004 219388549 /nfs/dbraw/zinc/38/85/49/219388549.db2.gz YWNFKDLOJLOCHX-UHFFFAOYSA-N 0 0 357.366 3.594 50 5 FHBARN COc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000001188417 219387393 /nfs/dbraw/zinc/38/73/93/219387393.db2.gz BAYIFUWKFGWICX-UHFFFAOYSA-N 0 0 366.757 3.526 50 5 FHBARN O=C(Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F ZINC000002162748 219430917 /nfs/dbraw/zinc/43/09/17/219430917.db2.gz FSHVVNAKCKQLLY-UHFFFAOYSA-N 0 0 374.202 3.880 50 5 FHBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000002818598 219467667 /nfs/dbraw/zinc/46/76/67/219467667.db2.gz NGHVUTFIQVYELU-UHFFFAOYSA-N 0 0 374.352 3.974 50 5 FHBARN CCCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000002879378 219472872 /nfs/dbraw/zinc/47/28/72/219472872.db2.gz QCRXBHUJRBXLDP-UHFFFAOYSA-N 0 0 357.435 3.522 50 5 FHBARN O=C(c1ccc2nc3ccc(Cl)cc3c(=O)n2c1)N1CCCCCC1 ZINC000002965680 219477992 /nfs/dbraw/zinc/47/79/92/219477992.db2.gz LULKBFLYKJWLES-UHFFFAOYSA-N 0 0 355.825 3.517 50 5 FHBARN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004071419 219538920 /nfs/dbraw/zinc/53/89/20/219538920.db2.gz PMRIXSQNXAEKAA-JTQLQIEISA-N 0 0 365.183 3.763 50 5 FHBARN CCOC(=O)[C@H](Cc1ccccc1)c1ccnn1-c1cccc([N+](=O)[O-])c1 ZINC000004091977 219542645 /nfs/dbraw/zinc/54/26/45/219542645.db2.gz YSYBUNJBMFQDEN-GOSISDBHSA-N 0 0 365.389 3.670 50 5 FHBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(C(F)(F)F)c1 ZINC000004644377 219592174 /nfs/dbraw/zinc/59/21/74/219592174.db2.gz QKRMWJQIIAZFHA-RIYZIHGNSA-N 0 0 362.263 3.958 50 5 FHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000004750597 219604274 /nfs/dbraw/zinc/60/42/74/219604274.db2.gz SXIIQXLLQANNDJ-UHFFFAOYSA-N 0 0 374.736 3.616 50 5 FHBARN O=C(COc1ccc2c(c1)CCC2)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004750421 219604364 /nfs/dbraw/zinc/60/43/64/219604364.db2.gz BZRBPARLCIMWLL-UHFFFAOYSA-N 0 0 369.402 3.711 50 5 FHBARN COc1cc(C=O)ccc1OC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004771280 219605833 /nfs/dbraw/zinc/60/58/33/219605833.db2.gz KQZRDOXPHKKQLV-UHFFFAOYSA-N 0 0 350.714 3.680 50 5 FHBARN CC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000004870637 219617741 /nfs/dbraw/zinc/61/77/41/219617741.db2.gz KTHCQXWCCFOMSN-HNNXBMFYSA-N 0 0 356.378 3.579 50 5 FHBARN CC[C@@H](C(=O)OCC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000004870646 219617960 /nfs/dbraw/zinc/61/79/60/219617960.db2.gz QMGPMGVWNWNRQQ-MRXNPFEDSA-N 0 0 370.405 3.887 50 5 FHBARN COc1cc(OC)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000005041712 219643326 /nfs/dbraw/zinc/64/33/26/219643326.db2.gz KGXHLKFOHOWGKO-UHFFFAOYSA-N 0 0 351.746 3.909 50 5 FHBARN O=c1oc2ccccc2c(NCCOc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000005776761 219698718 /nfs/dbraw/zinc/69/87/18/219698718.db2.gz OJKGSCDXEJKJAL-UHFFFAOYSA-N 0 0 360.753 3.846 50 5 FHBARN Cn1c(SCc2c(Cl)cccc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000006223895 219721264 /nfs/dbraw/zinc/72/12/64/219721264.db2.gz KNEVGFLAIULCNV-UHFFFAOYSA-N 0 0 361.814 3.731 50 5 FHBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)NCc1ccc(F)cc1 ZINC000006720352 219762225 /nfs/dbraw/zinc/76/22/25/219762225.db2.gz ZPWPYQHILSHMAD-UHFFFAOYSA-N 0 0 374.415 3.919 50 5 FHBARN CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)c1 ZINC000008726632 219867941 /nfs/dbraw/zinc/86/79/41/219867941.db2.gz NUJPCIHLUAHBBN-UHFFFAOYSA-N 0 0 369.406 3.679 50 5 FHBARN Cc1cc(C)c2c(n1)sc1c2N[C@H](c2ccc(C)c([N+](=O)[O-])c2)NC1=O ZINC000009216983 219876227 /nfs/dbraw/zinc/87/62/27/219876227.db2.gz WYYHHYTZMBRTFF-INIZCTEOSA-N 0 0 368.418 3.984 50 5 FHBARN Cc1ccccc1/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCO ZINC000010187286 219895067 /nfs/dbraw/zinc/89/50/67/219895067.db2.gz ICKHTACSBSJOPU-HNENSFHCSA-N 0 0 355.419 3.658 50 5 FHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1cn2c(n1)CCCC2 ZINC000012520681 220002051 /nfs/dbraw/zinc/00/20/51/220002051.db2.gz ZNINYKSCLMJOII-UHFFFAOYSA-N 0 0 354.332 3.801 50 5 FHBARN Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000012560114 220006914 /nfs/dbraw/zinc/00/69/14/220006914.db2.gz ORDRALYKQJOPJU-QGZVFWFLSA-N 0 0 350.378 3.757 50 5 FHBARN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000012586784 220009200 /nfs/dbraw/zinc/00/92/00/220009200.db2.gz UOHQOMIUSJNXPF-LBPRGKRZSA-N 0 0 362.817 3.721 50 5 FHBARN Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1[N+](=O)[O-] ZINC000012765431 220027619 /nfs/dbraw/zinc/02/76/19/220027619.db2.gz RONWZBOBJDRCGN-MRXNPFEDSA-N 0 0 361.829 3.589 50 5 FHBARN CN(Cc1ccc2ccccc2c1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000012758879 220026412 /nfs/dbraw/zinc/02/64/12/220026412.db2.gz CDTREFYJTWUCDP-UHFFFAOYSA-N 0 0 350.374 3.785 50 5 FHBARN COc1ccc(OC)c(CCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000012848560 220034476 /nfs/dbraw/zinc/03/44/76/220034476.db2.gz VWHPJLWTXGMSAJ-UHFFFAOYSA-N 0 0 364.785 3.837 50 5 FHBARN CCOc1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000012863407 220036665 /nfs/dbraw/zinc/03/66/65/220036665.db2.gz URMUFQMUBUNXRH-UHFFFAOYSA-N 0 0 357.391 3.880 50 5 FHBARN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccc2ccccc2c1 ZINC000012889125 220038452 /nfs/dbraw/zinc/03/84/52/220038452.db2.gz JUNXIFXWOGKTEF-UHFFFAOYSA-N 0 0 363.417 3.843 50 5 FHBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccccc1C(F)(F)F ZINC000012977395 220048639 /nfs/dbraw/zinc/04/86/39/220048639.db2.gz ABYKHXAAPQEBIE-UHFFFAOYSA-N 0 0 354.284 3.940 50 5 FHBARN CC(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000012977328 220048893 /nfs/dbraw/zinc/04/88/93/220048893.db2.gz VGAQTNJMBVJJSM-GOSISDBHSA-N 0 0 371.393 3.885 50 5 FHBARN CC[C@@H]1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013151791 220059515 /nfs/dbraw/zinc/05/95/15/220059515.db2.gz HWXXVUJFLTWVEW-LMMKCTJWSA-N 0 0 369.377 3.874 50 5 FHBARN Cc1ccc(-c2nc(CNC(=O)c3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000015832500 220166787 /nfs/dbraw/zinc/16/67/87/220166787.db2.gz AIQXTWIOONHJMP-UHFFFAOYSA-N 0 0 353.403 3.957 50 5 FHBARN O=C(CN1CCCCCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000016484828 220184836 /nfs/dbraw/zinc/18/48/36/220184836.db2.gz ABSCQWOCLOCSDF-UHFFFAOYSA-N 0 0 370.247 3.562 50 5 FHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCOc1ccc2ccccc2c1 ZINC000016964197 220198940 /nfs/dbraw/zinc/19/89/40/220198940.db2.gz WBWUNQOWDLPFCH-DHZHZOJOSA-N 0 0 362.385 3.956 50 5 FHBARN Nc1nc(Nc2ccc(Cl)cc2)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000017207776 220209560 /nfs/dbraw/zinc/20/95/60/220209560.db2.gz MALOHMIENOTYNC-UHFFFAOYSA-N 0 0 360.761 3.569 50 5 FHBARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000017076209 220205848 /nfs/dbraw/zinc/20/58/48/220205848.db2.gz ZNNXTWVOFDXTFL-KRWDZBQOSA-N 0 0 372.421 3.738 50 5 FHBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)cc1 ZINC000017251619 220211168 /nfs/dbraw/zinc/21/11/68/220211168.db2.gz HWNUUIWHMYXQPP-UHFFFAOYSA-N 0 0 370.344 3.602 50 5 FHBARN CC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000020900454 220344614 /nfs/dbraw/zinc/34/46/14/220344614.db2.gz KZCOHKRTJZRUOG-HNNXBMFYSA-N 0 0 358.398 3.712 50 5 FHBARN O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)ccc1NCc1cccnc1 ZINC000020898055 220344620 /nfs/dbraw/zinc/34/46/20/220344620.db2.gz KLRBQZRLJMEFAV-UHFFFAOYSA-N 0 0 374.360 3.714 50 5 FHBARN O=c1c2ccc[nH]c-2c(Nc2ccccc2[N+](=O)[O-])n1Cc1ccccc1 ZINC000021107643 220352095 /nfs/dbraw/zinc/35/20/95/220352095.db2.gz SVLGPJOEYSSYQD-IBGZPJMESA-N 0 0 360.373 3.757 50 5 FHBARN O=c1c2ccccc2nc(/C=C\c2cccc([N+](=O)[O-])c2)n1-c1cccnc1 ZINC000035251609 220775088 /nfs/dbraw/zinc/77/50/88/220775088.db2.gz AKGSUGWOCKKHOO-KHPPLWFESA-N 0 0 370.368 3.859 50 5 FHBARN CCCCNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(C)c21 ZINC000036618336 220822515 /nfs/dbraw/zinc/82/25/15/220822515.db2.gz MJDSHSORWLKAPG-UHFFFAOYSA-N 0 0 354.366 3.636 50 5 FHBARN Cc1nn(CC(=O)Nc2ccccc2Oc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000036654494 220826301 /nfs/dbraw/zinc/82/63/01/220826301.db2.gz GEXJSJHYWJEZHB-UHFFFAOYSA-N 0 0 366.377 3.839 50 5 FHBARN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000055174994 221061185 /nfs/dbraw/zinc/06/11/85/221061185.db2.gz FBOCKLGXRKTILH-IBGZPJMESA-N 0 0 365.364 3.781 50 5 FHBARN Cc1nc2ccc(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cc2nc1C ZINC000055466364 221070845 /nfs/dbraw/zinc/07/08/45/221070845.db2.gz PDVBIXOFTJRSSO-CYBMUJFWSA-N 0 0 350.378 3.646 50 5 FHBARN Cc1cccc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000055943299 221076158 /nfs/dbraw/zinc/07/61/58/221076158.db2.gz WLGNUUPPIYEOQP-IAGOWNOFSA-N 0 0 358.369 3.692 50 5 FHBARN Cc1cccc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000055943296 221076675 /nfs/dbraw/zinc/07/66/75/221076675.db2.gz WLGNUUPPIYEOQP-IRXDYDNUSA-N 0 0 358.369 3.692 50 5 FHBARN O=C(Nc1cc(Cl)ccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000057681287 221092018 /nfs/dbraw/zinc/09/20/18/221092018.db2.gz YJGKNMCQNIUYFG-UHFFFAOYSA-N 0 0 361.785 3.806 50 5 FHBARN O=C(NCc1cnc2ccccc2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000058018072 221097596 /nfs/dbraw/zinc/09/75/96/221097596.db2.gz SGWLNCYACNQRBO-UHFFFAOYSA-N 0 0 362.389 3.647 50 5 FHBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000058158210 221099616 /nfs/dbraw/zinc/09/96/16/221099616.db2.gz OXLWAFIKASHISU-QGZVFWFLSA-N 0 0 374.462 3.689 50 5 FHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000058363121 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O=C(NCCSCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000002986824 219480763 /nfs/dbraw/zinc/48/07/63/219480763.db2.gz VPMHFIVAXZCFQM-UHFFFAOYSA-N 0 0 350.827 3.911 50 5 FHBARN O=C(NC1CCCCC1)c1cccn2c(=O)c3cc(Cl)ccc3nc12 ZINC000002957339 219478579 /nfs/dbraw/zinc/47/85/79/219478579.db2.gz ZUOTZMPIVNLEPU-UHFFFAOYSA-N 0 0 355.825 3.564 50 5 FHBARN Cc1cc(-n2c(C)cc(C(=O)COc3ccccc3[N+](=O)[O-])c2C)no1 ZINC000003382359 219506121 /nfs/dbraw/zinc/50/61/21/219506121.db2.gz KZRMAJHICOSUBV-UHFFFAOYSA-N 0 0 355.350 3.560 50 5 FHBARN CCc1ccccc1NC(=O)CCCn1nc([N+](=O)[O-])c(Cl)c1C ZINC000003896217 219529091 /nfs/dbraw/zinc/52/90/91/219529091.db2.gz NDRSUBSLJIXRBU-UHFFFAOYSA-N 0 0 350.806 3.734 50 5 FHBARN CC1=C[C@@H]2[C@H](C[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2(C)C ZINC000004152440 219548247 /nfs/dbraw/zinc/54/82/47/219548247.db2.gz DLFSOUYCIDGKLT-WQVCFCJDSA-N 0 0 360.366 3.898 50 5 FHBARN CCc1cc2c(ncnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000004320518 219565999 /nfs/dbraw/zinc/56/59/99/219565999.db2.gz RNPOMMGENBAZDD-UHFFFAOYSA-N 0 0 374.447 3.893 50 5 FHBARN Nc1nnc(Sc2cc(-n3cccc3)c(Cl)cc2[N+](=O)[O-])s1 ZINC000004336251 219567949 /nfs/dbraw/zinc/56/79/49/219567949.db2.gz HDQXDNODMAUJHA-UHFFFAOYSA-N 0 0 353.816 3.624 50 5 FHBARN O=C1CCC(=O)N1c1ccc(N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004684430 219595859 /nfs/dbraw/zinc/59/58/59/219595859.db2.gz XQZUZBLHJPWOSP-MRXNPFEDSA-N 0 0 365.389 3.738 50 5 FHBARN Cc1cccc(-c2noc(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000004810473 219609193 /nfs/dbraw/zinc/60/91/93/219609193.db2.gz NGLQQDGGUFAWHW-UHFFFAOYSA-N 0 0 366.377 3.915 50 5 FHBARN Cc1ccc(Nc2nc(NCc3ccccc3)nc(N)c2[N+](=O)[O-])cc1C ZINC000005048937 219644907 /nfs/dbraw/zinc/64/49/07/219644907.db2.gz UEHIOJRMEAAUAJ-UHFFFAOYSA-N 0 0 364.409 3.940 50 5 FHBARN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005101334 219649626 /nfs/dbraw/zinc/64/96/26/219649626.db2.gz ONSCSZKVOYAVPW-RMKNXTFCSA-N 0 0 361.810 3.775 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1ccc(F)cc1 ZINC000005192892 219659305 /nfs/dbraw/zinc/65/93/05/219659305.db2.gz WKAPOXHKRPHSBT-UHFFFAOYSA-N 0 0 350.371 3.863 50 5 FHBARN Cc1cc(F)ccc1S(=O)(=O)Nc1cccc2c1cccc2[N+](=O)[O-] ZINC000005234381 219663540 /nfs/dbraw/zinc/66/35/40/219663540.db2.gz HDFHXOTUESFOEN-UHFFFAOYSA-N 0 0 360.366 3.996 50 5 FHBARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1[N+](=O)[O-] ZINC000005562007 219689975 /nfs/dbraw/zinc/68/99/75/219689975.db2.gz SHCIEVUWAOOQET-UHFFFAOYSA-N 0 0 372.768 3.870 50 5 FHBARN C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(F)c1F ZINC000005966097 219707149 /nfs/dbraw/zinc/70/71/49/219707149.db2.gz LVVBXJPPKPGYAF-ZETCQYMHSA-N 0 0 358.247 3.557 50 5 FHBARN O=C(COc1ccccc1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007167571 219793261 /nfs/dbraw/zinc/79/32/61/219793261.db2.gz QEVKGAXXKVWHHT-UHFFFAOYSA-N 0 0 358.247 3.770 50 5 FHBARN CN(CCc1ccccn1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008148682 219849243 /nfs/dbraw/zinc/84/92/43/219849243.db2.gz PQMFAJPGYKMRTE-UHFFFAOYSA-N 0 0 361.401 3.900 50 5 FHBARN O=[N+]([O-])c1ccc2cnn(-c3nc(C(F)(F)F)nc4ccccc43)c2c1 ZINC000008325943 219859729 /nfs/dbraw/zinc/85/97/29/219859729.db2.gz BVEQXJIIMDMTIB-UHFFFAOYSA-N 0 0 359.267 3.896 50 5 FHBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)o2)cs1 ZINC000012618854 220014453 /nfs/dbraw/zinc/01/44/53/220014453.db2.gz KVUMXIMJYRAHGZ-UHFFFAOYSA-N 0 0 357.391 3.858 50 5 FHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2cscn2)c1 ZINC000012776070 220028306 /nfs/dbraw/zinc/02/83/06/220028306.db2.gz MJLPMDDIYBIDRC-UHFFFAOYSA-N 0 0 370.386 3.987 50 5 FHBARN Cc1cccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000012745682 220023953 /nfs/dbraw/zinc/02/39/53/220023953.db2.gz BDAJBSXEVJHANB-UHFFFAOYSA-N 0 0 350.321 3.777 50 5 FHBARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000012758765 220025995 /nfs/dbraw/zinc/02/59/95/220025995.db2.gz WRDJZSKLDPCEAM-UHFFFAOYSA-N 0 0 367.386 3.906 50 5 FHBARN Cc1cccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000012793484 220030091 /nfs/dbraw/zinc/03/00/91/220030091.db2.gz YEVYKWFAIBLHRT-GFCCVEGCSA-N 0 0 374.466 3.844 50 5 FHBARN CN(Cc1ccc2ccccc2c1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000012788777 220030422 /nfs/dbraw/zinc/03/04/22/220030422.db2.gz IBNKOATXNAFNPS-UHFFFAOYSA-N 0 0 350.374 3.785 50 5 FHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2ccccc2)c1C ZINC000012922693 220043090 /nfs/dbraw/zinc/04/30/90/220043090.db2.gz SPIYHENRXBMYSH-KRWDZBQOSA-N 0 0 360.435 3.737 50 5 FHBARN Cc1cccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000012953430 220045902 /nfs/dbraw/zinc/04/59/02/220045902.db2.gz PPPYTJRHYAAMBR-INIZCTEOSA-N 0 0 356.378 3.713 50 5 FHBARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000013016536 220054397 /nfs/dbraw/zinc/05/43/97/220054397.db2.gz DGQNKGWRWSJCSJ-UHFFFAOYSA-N 0 0 358.354 3.813 50 5 FHBARN O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N1CCc2ccccc2C1 ZINC000013574170 220076143 /nfs/dbraw/zinc/07/61/43/220076143.db2.gz XNYRXNZJUNCLKV-UHFFFAOYSA-N 0 0 358.444 3.843 50 5 FHBARN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000013880550 220097987 /nfs/dbraw/zinc/09/79/87/220097987.db2.gz YZWDRRHABCBYSC-YCRREMRBSA-N 0 0 360.753 3.687 50 5 FHBARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013858141 220098002 /nfs/dbraw/zinc/09/80/02/220098002.db2.gz LCIXXLZSAAJUMP-UHFFFAOYSA-N 0 0 357.753 3.859 50 5 FHBARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013987694 220100298 /nfs/dbraw/zinc/10/02/98/220100298.db2.gz YXWDHLRJRILZME-ZDUSSCGKSA-N 0 0 355.394 3.684 50 5 FHBARN Cc1nn(Cc2ccc(C(=O)N3CCCCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000013988342 220100301 /nfs/dbraw/zinc/10/03/01/220100301.db2.gz UNLXBEPTCRZTEA-UHFFFAOYSA-N 0 0 370.453 3.863 50 5 FHBARN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000014254855 220121218 /nfs/dbraw/zinc/12/12/18/220121218.db2.gz JYGVSKWROAKUAH-UHFFFAOYSA-N 0 0 364.276 3.554 50 5 FHBARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C ZINC000014256464 220121301 /nfs/dbraw/zinc/12/13/01/220121301.db2.gz NFEYRGWWTAKBNB-UHFFFAOYSA-N 0 0 352.387 3.768 50 5 FHBARN Cc1cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)ccc1[N+](=O)[O-] ZINC000014526925 220126311 /nfs/dbraw/zinc/12/63/11/220126311.db2.gz SOGPMJQWVQCFIC-UHFFFAOYSA-N 0 0 374.466 3.844 50 5 FHBARN Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000015391395 220153486 /nfs/dbraw/zinc/15/34/86/220153486.db2.gz HFYMOTZTRVMXHS-UXBLZVDNSA-N 0 0 364.361 3.914 50 5 FHBARN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000015545233 220155648 /nfs/dbraw/zinc/15/56/48/220155648.db2.gz YSGOBLPWMXPOSP-INIZCTEOSA-N 0 0 368.389 3.652 50 5 FHBARN COc1ccc(-c2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000015832664 220166646 /nfs/dbraw/zinc/16/66/46/220166646.db2.gz BWTBZRBAQNLVFN-UHFFFAOYSA-N 0 0 369.402 3.657 50 5 FHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000016144214 220179160 /nfs/dbraw/zinc/17/91/60/220179160.db2.gz OBUSNRWRUJUMET-APPDUMDISA-N 0 0 360.797 3.771 50 5 FHBARN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3cccnc32)cc1OC ZINC000019358356 220253523 /nfs/dbraw/zinc/25/35/23/220253523.db2.gz PNNXZPTZEUZEAH-UHFFFAOYSA-N 0 0 367.361 3.803 50 5 FHBARN O=C(Nc1ccccc1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020177517 220319124 /nfs/dbraw/zinc/31/91/24/220319124.db2.gz NCXNDUVHTKGTIV-UHFFFAOYSA-N 0 0 366.421 3.969 50 5 FHBARN CC(=O)N1N=C(c2cccc3ccccc32)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021092091 220350327 /nfs/dbraw/zinc/35/03/27/220350327.db2.gz UGXUPWJPAOGMPG-FQEVSTJZSA-N 0 0 361.357 3.987 50 5 FHBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027385351 220533007 /nfs/dbraw/zinc/53/30/07/220533007.db2.gz YAZAWCFEKWJJBJ-OAHLLOKOSA-N 0 0 365.389 3.685 50 5 FHBARN Cc1nc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2s1 ZINC000040070109 220876165 /nfs/dbraw/zinc/87/61/65/220876165.db2.gz FXGDDYATRJJVCV-UHFFFAOYSA-N 0 0 353.363 3.642 50 5 FHBARN Cc1cc(NCCc2cn3ccccc3n2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048247961 221002639 /nfs/dbraw/zinc/00/26/39/221002639.db2.gz UNGAGDOQVOZRHH-UHFFFAOYSA-N 0 0 374.404 3.663 50 5 FHBARN CNC(=O)c1ccc(CN(C)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000049980567 221028717 /nfs/dbraw/zinc/02/87/17/221028717.db2.gz ZGNGUAGRTALBRG-UHFFFAOYSA-N 0 0 367.327 3.610 50 5 FHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(OCc2ccccn2)c1 ZINC000055645663 221072638 /nfs/dbraw/zinc/07/26/38/221072638.db2.gz LNQGOZHPNXRTRL-ZDUSSCGKSA-N 0 0 367.361 3.653 50 5 FHBARN Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])n(-c2ccccc2F)n1 ZINC000058152108 221099264 /nfs/dbraw/zinc/09/92/64/221099264.db2.gz WRCVTXIONFPCRX-UHFFFAOYSA-N 0 0 354.341 3.789 50 5 FHBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000058158211 221099781 /nfs/dbraw/zinc/09/97/81/221099781.db2.gz OXLWAFIKASHISU-KRWDZBQOSA-N 0 0 374.462 3.689 50 5 FHBARN COc1cc(C)cc2c1OCC[C@@H]2NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000058251694 221111074 /nfs/dbraw/zinc/11/10/74/221111074.db2.gz HNFVXRJJXKXJID-HNNXBMFYSA-N 0 0 357.366 3.557 50 5 FHBARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2OC)no1 ZINC000064984876 221161334 /nfs/dbraw/zinc/16/13/34/221161334.db2.gz OZNOPUQETOLICJ-MRXNPFEDSA-N 0 0 374.397 3.913 50 5 FHBARN CCCn1nnc2cc(-c3noc(-c4ccc([N+](=O)[O-])c(C)c4)n3)ccc21 ZINC000064980006 221161525 /nfs/dbraw/zinc/16/15/25/221161525.db2.gz MLXZNOMAWQYMNK-UHFFFAOYSA-N 0 0 364.365 3.775 50 5 FHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2ccccn2)n1 ZINC000065530622 221230603 /nfs/dbraw/zinc/23/06/03/221230603.db2.gz YVXTVYIQBVEOML-GFCCVEGCSA-N 0 0 368.418 3.947 50 5 FHBARN CCn1c2ccccc2nc1[C@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000065947319 221238346 /nfs/dbraw/zinc/23/83/46/221238346.db2.gz RHZPGKXFOAAQEK-LBPRGKRZSA-N 0 0 350.382 3.785 50 5 FHBARN O=[N+]([O-])c1cnc(N2CCC[C@H]2CCc2ccccc2)nc1NC1CC1 ZINC000071811732 221378652 /nfs/dbraw/zinc/37/86/52/221378652.db2.gz RYHTXWZMTMKAMK-INIZCTEOSA-N 0 0 353.426 3.561 50 5 FHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1 ZINC000003894030 132251913 /nfs/dbraw/zinc/25/19/13/132251913.db2.gz IVQRXLYUPBPQTO-UHFFFAOYSA-N 0 0 351.328 3.940 50 5 FHBARN Cc1cc(C(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)ccc1[N+](=O)[O-] ZINC000005441341 132257696 /nfs/dbraw/zinc/25/76/96/132257696.db2.gz DYYNPDYPONFVGI-UHFFFAOYSA-N 0 0 367.405 3.981 50 5 FHBARN Cc1csc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000006249454 132258242 /nfs/dbraw/zinc/25/82/42/132258242.db2.gz MCEPYVVVTFFWTI-LLVKDONJSA-N 0 0 360.439 3.848 50 5 FHBARN COc1ccccc1N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000055543710 132303447 /nfs/dbraw/zinc/30/34/47/132303447.db2.gz XPNSISWFSXFHDS-UHFFFAOYSA-N 0 0 361.829 3.579 50 5 FHBARN COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000001126843 132380332 /nfs/dbraw/zinc/38/03/32/132380332.db2.gz OQYWMOXYTFWQFX-UHFFFAOYSA-N 0 0 355.394 3.846 50 5 FHBARN Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000003894035 132385801 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CNc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000004116707 571355425 /nfs/dbraw/zinc/35/54/25/571355425.db2.gz SFRYJBWGIITLBU-UHFFFAOYSA-N 0 0 362.389 3.879 50 5 FHBARN Cc1ccc(CSC2=NCCN2C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000004120390 571355669 /nfs/dbraw/zinc/35/56/69/571355669.db2.gz ABTINJAZNZYRDZ-UHFFFAOYSA-N 0 0 369.446 3.957 50 5 FHBARN Cc1cccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)c1 ZINC000004120644 571355752 /nfs/dbraw/zinc/35/57/52/571355752.db2.gz OMDVHVLOIUNZRZ-UHFFFAOYSA-N 0 0 355.419 3.648 50 5 FHBARN O=c1[nH][nH]c(-c2ccccc2O)c1[C@@H](C[N+](=O)[O-])c1cccc(Cl)c1 ZINC000004247756 571357110 /nfs/dbraw/zinc/35/71/10/571357110.db2.gz BZPUTHWFSYUYKM-ZDUSSCGKSA-N 0 0 359.769 3.550 50 5 FHBARN Cc1ccc(SCCC(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000008145793 571359560 /nfs/dbraw/zinc/35/95/60/571359560.db2.gz MYRPTHUBKNWUQC-UHFFFAOYSA-N 0 0 359.451 3.614 50 5 FHBARN O=C(OCc1nc2ccccc2o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000008192169 571359800 /nfs/dbraw/zinc/35/98/00/571359800.db2.gz BJTYSSHYCQFHJV-UHFFFAOYSA-N 0 0 367.361 3.693 50 5 FHBARN CCOc1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000001179783 941761861 /nfs/dbraw/zinc/76/18/61/941761861.db2.gz IZFXVOZBJXKCMB-IZZDOVSWSA-N 0 0 371.418 3.520 50 5 FHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(Br)c1 ZINC000000674493 219312137 /nfs/dbraw/zinc/31/21/37/219312137.db2.gz YGMMTPZUULJIIJ-UHFFFAOYSA-N 0 0 365.183 3.927 50 5 FHBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000000797420 219322495 /nfs/dbraw/zinc/32/24/95/219322495.db2.gz OQEKRHCWSIIVKS-UHFFFAOYSA-N 0 0 363.588 3.699 50 5 FHBARN CSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000000805187 219323560 /nfs/dbraw/zinc/32/35/60/219323560.db2.gz MMPIDXIPABNAER-OAHLLOKOSA-N 0 0 367.390 3.672 50 5 FHBARN O=C(c1ccco1)N(C(=O)c1ccco1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000851621 219330690 /nfs/dbraw/zinc/33/06/90/219330690.db2.gz MVERHDYPBTWRNW-UHFFFAOYSA-N 0 0 360.709 3.921 50 5 FHBARN COc1cccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000000829670 219327383 /nfs/dbraw/zinc/32/73/83/219327383.db2.gz GECUWUBZZHIQFR-RIYZIHGNSA-N 0 0 358.737 3.601 50 5 FHBARN Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000000827197 219327447 /nfs/dbraw/zinc/32/74/47/219327447.db2.gz CTRMQOKVUTVQDN-LBPRGKRZSA-N 0 0 373.796 3.548 50 5 FHBARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000830412 219327729 /nfs/dbraw/zinc/32/77/29/219327729.db2.gz KPPHBMOZKRLTCW-UHFFFAOYSA-N 0 0 350.290 3.643 50 5 FHBARN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 ZINC000000835958 219328937 /nfs/dbraw/zinc/32/89/37/219328937.db2.gz REAUKVLOJOJXHK-UHFFFAOYSA-N 0 0 351.318 3.692 50 5 FHBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(NC[C@@H]3CCCO3)n2)cc1 ZINC000000949101 219345810 /nfs/dbraw/zinc/34/58/10/219345810.db2.gz WSTYMFXGRCOWBC-HNNXBMFYSA-N 0 0 350.378 3.796 50 5 FHBARN Cc1nn(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1Br ZINC000001085584 219367111 /nfs/dbraw/zinc/36/71/11/219367111.db2.gz GGPUIFKDHLJARS-UHFFFAOYSA-N 0 0 358.579 3.513 50 5 FHBARN COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000001097961 219368347 /nfs/dbraw/zinc/36/83/47/219368347.db2.gz UUKZJCNZDREYII-UHFFFAOYSA-N 0 0 369.160 3.941 50 5 FHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000001136596 219377680 /nfs/dbraw/zinc/37/76/80/219377680.db2.gz YIUJPWIIECQQSW-UHFFFAOYSA-N 0 0 373.372 3.640 50 5 FHBARN O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000001154792 219382682 /nfs/dbraw/zinc/38/26/82/219382682.db2.gz OAIIYVQBCASVED-OQLLNIDSSA-N 0 0 358.350 3.970 50 5 FHBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000001176850 219385356 /nfs/dbraw/zinc/38/53/56/219385356.db2.gz GRZGXFUDEWHUIZ-UHFFFAOYSA-N 0 0 353.762 3.514 50 5 FHBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000001185474 219386686 /nfs/dbraw/zinc/38/66/86/219386686.db2.gz IMNRJAXVSNLDJB-UHFFFAOYSA-N 0 0 373.372 3.889 50 5 FHBARN CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000001186607 219386716 /nfs/dbraw/zinc/38/67/16/219386716.db2.gz QQPSYRUGEZGNFY-YBEGLDIGSA-N 0 0 370.386 3.840 50 5 FHBARN Cc1c(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cccc1[N+](=O)[O-] ZINC000001206474 219388655 /nfs/dbraw/zinc/38/86/55/219388655.db2.gz IKGFTJMTTGLYPE-UHFFFAOYSA-N 0 0 373.372 3.889 50 5 FHBARN CCOc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000001207364 219389922 /nfs/dbraw/zinc/38/99/22/219389922.db2.gz VJCWLMNRJBHXNC-UHFFFAOYSA-N 0 0 350.168 3.987 50 5 FHBARN CC(C)OC(=O)c1ccccc1Nc1ccn2c(n1)nc1ccccc1c2=O ZINC000002124290 219428487 /nfs/dbraw/zinc/42/84/87/219428487.db2.gz GYKKIECWUNFAMT-UHFFFAOYSA-N 0 0 374.400 3.552 50 5 biogenic FHBARN COCCOc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000002144153 219428847 /nfs/dbraw/zinc/42/88/47/219428847.db2.gz XRJYWLOCXCRRSK-UHFFFAOYSA-N 0 0 350.758 3.526 50 5 FHBARN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002762618 219462879 /nfs/dbraw/zinc/46/28/79/219462879.db2.gz VSPHANCORQJTOW-UHFFFAOYSA-N 0 0 374.759 3.884 50 5 FHBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002970053 219479340 /nfs/dbraw/zinc/47/93/40/219479340.db2.gz AYHURMLJLWKOIY-UHFFFAOYSA-N 0 0 373.372 3.889 50 5 FHBARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000003237804 219494013 /nfs/dbraw/zinc/49/40/13/219494013.db2.gz NBEOLNVNNMIUBF-QWRGUYRKSA-N 0 0 365.480 3.801 50 5 FHBARN CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000003312001 219499339 /nfs/dbraw/zinc/49/93/39/219499339.db2.gz DOBTXETZZFLMTB-XNTDXEJSSA-N 0 0 373.821 3.853 50 5 FHBARN COc1cc(C(=O)OCc2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000003370913 219504137 /nfs/dbraw/zinc/50/41/37/219504137.db2.gz CQSUYURMUDFDMV-UHFFFAOYSA-N 0 0 351.742 3.622 50 5 FHBARN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1Br ZINC000003382261 219505213 /nfs/dbraw/zinc/50/52/13/219505213.db2.gz NCUYIDJJYODOQG-UHFFFAOYSA-N 0 0 365.183 3.683 50 5 FHBARN COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000004550916 219585235 /nfs/dbraw/zinc/58/52/35/219585235.db2.gz UNYIVKRUQNCEPH-UHFFFAOYSA-N 0 0 351.156 3.618 50 5 FHBARN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3cccc4c3c2CC4)c1 ZINC000005234729 219663460 /nfs/dbraw/zinc/66/34/60/219663460.db2.gz NYKXXOFEYLXTMZ-UHFFFAOYSA-N 0 0 354.387 3.647 50 5 FHBARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000005417174 219677264 /nfs/dbraw/zinc/67/72/64/219677264.db2.gz VMSCQOOUHXGKKS-CKEIUWERSA-N 0 0 363.410 3.756 50 5 FHBARN C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2S1 ZINC000006051392 219711607 /nfs/dbraw/zinc/71/16/07/219711607.db2.gz WWHURQCXJHFHGE-CYBMUJFWSA-N 0 0 358.419 3.891 50 5 FHBARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006335276 219724163 /nfs/dbraw/zinc/72/41/63/219724163.db2.gz PAFQHGUHKLTDQU-UHFFFAOYSA-N 0 0 372.450 3.783 50 5 FHBARN O=[N+]([O-])c1ccc(-n2ncnc2-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000261494825 223075978 /nfs/dbraw/zinc/07/59/78/223075978.db2.gz KDEQEGOHXWQVOY-UHFFFAOYSA-N 0 0 369.690 3.910 50 5 FHBARN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000008772648 219869848 /nfs/dbraw/zinc/86/98/48/219869848.db2.gz NXNNDLOBNSKVOQ-UHFFFAOYSA-N 0 0 368.311 3.604 50 5 FHBARN O=[N+]([O-])c1cccc(-c2cs/c(=N\c3ccccc3)n2CCCO)c1 ZINC000009317555 219877682 /nfs/dbraw/zinc/87/76/82/219877682.db2.gz QLWCDLNJTKCUCM-HNENSFHCSA-N 0 0 355.419 3.740 50 5 FHBARN COC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 ZINC000328592736 223115355 /nfs/dbraw/zinc/11/53/55/223115355.db2.gz BXGJIOKCBJLIQB-UHFFFAOYSA-N 0 0 352.456 3.736 50 5 FHBARN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000012578760 220009155 /nfs/dbraw/zinc/00/91/55/220009155.db2.gz ATFYVBRTLZGGJY-INIZCTEOSA-N 0 0 350.378 3.757 50 5 FHBARN O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012774936 220027834 /nfs/dbraw/zinc/02/78/34/220027834.db2.gz CJCZUHPTODPKPS-UHFFFAOYSA-N 0 0 354.753 3.958 50 5 FHBARN Cc1c(NC(=O)CN(C)Cc2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000012864277 220036853 /nfs/dbraw/zinc/03/68/53/220036853.db2.gz GCDMVYAJGHUJKM-UHFFFAOYSA-N 0 0 370.434 3.583 50 5 FHBARN C[C@@H]1CCc2c(sc3ncn(Cc4cccc([N+](=O)[O-])c4)c(=O)c23)C1 ZINC000012894324 220040444 /nfs/dbraw/zinc/04/04/44/220040444.db2.gz WWOQDTHKJNNYOK-LLVKDONJSA-N 0 0 355.419 3.539 50 5 FHBARN CCOc1cc([N+](=O)[O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000013003854 220051428 /nfs/dbraw/zinc/05/14/28/220051428.db2.gz UFGNELUWLOOKPQ-UHFFFAOYSA-N 0 0 374.437 3.701 50 5 FHBARN C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000014159629 220110529 /nfs/dbraw/zinc/11/05/29/220110529.db2.gz NMAJMVJWHHEGGE-MYSGNRETSA-N 0 0 368.389 3.694 50 5 FHBARN Cc1cc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1F ZINC000014900120 220135435 /nfs/dbraw/zinc/13/54/35/220135435.db2.gz SBNVQGWJOOLCQI-UHFFFAOYSA-N 0 0 374.415 3.919 50 5 FHBARN COc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000015199215 220149851 /nfs/dbraw/zinc/14/98/51/220149851.db2.gz BHVDHICLECPXOE-CYBMUJFWSA-N 0 0 362.382 3.709 50 5 FHBARN CC[C@@H](C)[C@@H](C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000016817297 220194880 /nfs/dbraw/zinc/19/48/80/220194880.db2.gz ORPZIYFCXKHXGE-FZKQIMNGSA-N 0 0 370.405 3.567 50 5 FHBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000018241443 220229284 /nfs/dbraw/zinc/22/92/84/220229284.db2.gz JBCBGAQNGBPQBF-ROUUACIJSA-N 0 0 350.374 3.941 50 5 FHBARN CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@]1(C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000021090882 220350683 /nfs/dbraw/zinc/35/06/83/220350683.db2.gz QISHJGMDIPYTGE-SFHVURJKSA-N 0 0 373.796 3.970 50 5 FHBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1ccc(C(C)C)cc1 ZINC000021091074 220351083 /nfs/dbraw/zinc/35/10/83/220351083.db2.gz UULLBGTWRDIWBY-LJQANCHMSA-N 0 0 353.378 3.957 50 5 FHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000022759152 220397705 /nfs/dbraw/zinc/39/77/05/220397705.db2.gz RUULXVHTKAVBKJ-GOSISDBHSA-N 0 0 355.394 3.572 50 5 FHBARN CCc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000032796317 220682482 /nfs/dbraw/zinc/68/24/82/220682482.db2.gz ZIJDIRNYDDRJKT-UHFFFAOYSA-N 0 0 367.405 3.532 50 5 FHBARN Cc1c([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000045517732 220972758 /nfs/dbraw/zinc/97/27/58/220972758.db2.gz RRNQULBUKVRCSG-LBPRGKRZSA-N 0 0 368.368 3.719 50 5 FHBARN O=C(NCc1ccco1)c1cccc(COc2ccccc2[N+](=O)[O-])c1 ZINC000048366008 221010806 /nfs/dbraw/zinc/01/08/06/221010806.db2.gz FYISUGUSSYBDBM-UHFFFAOYSA-N 0 0 352.346 3.697 50 5 FHBARN CN(C)c1c(Cl)cccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000058167519 221102119 /nfs/dbraw/zinc/10/21/19/221102119.db2.gz YSRVUPUYGJBYOI-UHFFFAOYSA-N 0 0 355.728 3.845 50 5 FHBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2ccccc2F)n1 ZINC000058003804 221096580 /nfs/dbraw/zinc/09/65/80/221096580.db2.gz XOXNRQZQNDPHJA-UHFFFAOYSA-N 0 0 354.341 3.789 50 5 FHBARN 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Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000012578753 220009901 /nfs/dbraw/zinc/00/99/01/220009901.db2.gz ATFYVBRTLZGGJY-MRXNPFEDSA-N 0 0 350.378 3.757 50 5 FHBARN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000012589304 220010475 /nfs/dbraw/zinc/01/04/75/220010475.db2.gz FVXKDTYGTGIWER-LBPRGKRZSA-N 0 0 362.817 3.721 50 5 FHBARN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000012757494 220026401 /nfs/dbraw/zinc/02/64/01/220026401.db2.gz BRYMGEUQACOXJU-LBPRGKRZSA-N 0 0 360.391 3.723 50 5 FHBARN Cc1cc(Br)ccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000012814117 220032715 /nfs/dbraw/zinc/03/27/15/220032715.db2.gz DXFIPLAURUTTDJ-UHFFFAOYSA-N 0 0 350.172 3.500 50 5 FHBARN COc1ccc(CCCN(C)C(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000012888208 220038724 /nfs/dbraw/zinc/03/87/24/220038724.db2.gz XGTPWXVGJIYUAU-UHFFFAOYSA-N 0 0 372.421 3.625 50 5 FHBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)c1C ZINC000012922691 220043085 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O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccccc1F ZINC000013672302 220082706 /nfs/dbraw/zinc/08/27/06/220082706.db2.gz CAEZANOWSYQSMY-JXMROGBWSA-N 0 0 360.410 3.797 50 5 FHBARN Cc1[nH]c2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2c1C ZINC000015093531 220148419 /nfs/dbraw/zinc/14/84/19/220148419.db2.gz UFKAAYCXLZHZBC-UHFFFAOYSA-N 0 0 352.394 3.535 50 5 FHBARN CCOC(=O)c1cc(C(=O)Nc2cccc3ncccc32)cc([N+](=O)[O-])c1 ZINC000015979849 220174773 /nfs/dbraw/zinc/17/47/73/220174773.db2.gz BFRUSBQUHLIZKW-UHFFFAOYSA-N 0 0 365.345 3.572 50 5 FHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000016685383 220191197 /nfs/dbraw/zinc/19/11/97/220191197.db2.gz ZUNKPEVBEFIOPG-STQMWFEESA-N 0 0 352.394 3.585 50 5 FHBARN Cc1cs/c(=N/c2ccccc2)n1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000016711474 220191988 /nfs/dbraw/zinc/19/19/88/220191988.db2.gz HRUVCIFYTWUDAJ-SISFKGJESA-N 0 0 355.419 3.732 50 5 FHBARN CCCCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000017073011 220202242 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COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](C)c1ccccc1C ZINC000048311559 221006583 /nfs/dbraw/zinc/00/65/83/221006583.db2.gz ZTJAESCXSHSIQM-NSHDSACASA-N 0 0 359.338 3.771 50 5 FHBARN Nc1c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc(F)cc1[N+](=O)[O-] ZINC000048321574 221008030 /nfs/dbraw/zinc/00/80/30/221008030.db2.gz NRKFOLGEVULBLR-UHFFFAOYSA-N 0 0 356.313 3.587 50 5 FHBARN CC(C)Sc1ccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000048200989 221001179 /nfs/dbraw/zinc/00/11/79/221001179.db2.gz JWKGZIDXLNDETI-KRWDZBQOSA-N 0 0 360.435 3.559 50 5 FHBARN CCN(Cc1ccccc1[N+](=O)[O-])Cn1nc(C2CC2)n(CC)c1=S ZINC000054477050 221053488 /nfs/dbraw/zinc/05/34/88/221053488.db2.gz XNDMZIWIUQOUAA-UHFFFAOYSA-N 0 0 361.471 3.699 50 5 FHBARN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000054774733 221055565 /nfs/dbraw/zinc/05/55/65/221055565.db2.gz LBGXEYCLNNAOGG-UHFFFAOYSA-N 0 0 351.362 3.912 50 5 FHBARN Cc1nc2ccc(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2nc1C ZINC000055466363 221070452 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FHBARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000005252301 132256639 /nfs/dbraw/zinc/25/66/39/132256639.db2.gz NGYGBEVJBXZFPL-UHFFFAOYSA-N 0 0 365.389 3.536 50 5 FHBARN Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000000728417 132378179 /nfs/dbraw/zinc/37/81/79/132378179.db2.gz NVNLNPHWRIKRNH-UHFFFAOYSA-N 0 0 359.813 3.519 50 5 FHBARN Cc1cccc(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000001200448 132380920 /nfs/dbraw/zinc/38/09/20/132380920.db2.gz NSZSPEHHVITIBI-DHZHZOJOSA-N 0 0 365.433 3.574 50 5 FHBARN C[C@@H]1CCCN(c2cc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c3nonc32)C1 ZINC000004020624 132386247 /nfs/dbraw/zinc/38/62/47/132386247.db2.gz UVMSNKSWMRQCFR-OLZOCXBDSA-N 0 0 359.430 3.604 50 5 FHBARN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1nnc(C)c2ccccc21 ZINC000095452383 221906378 /nfs/dbraw/zinc/90/63/78/221906378.db2.gz PCUCOGRGHABBPK-UHFFFAOYSA-N 0 0 350.378 3.822 50 5 FHBARN CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000001120853 263142798 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O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)cc1 ZINC000031489511 263391990 /nfs/dbraw/zinc/39/19/90/263391990.db2.gz IMQNSRDVJQQDTI-UHFFFAOYSA-N 0 0 352.293 3.604 50 5 FHBARN CCN(c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1)C(C)C ZINC000032350118 263393089 /nfs/dbraw/zinc/39/30/89/263393089.db2.gz LUTNTGYKHOOFKQ-UHFFFAOYSA-N 0 0 367.409 3.958 50 5 FHBARN Cc1nc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)n[nH]1 ZINC000117622274 263453758 /nfs/dbraw/zinc/45/37/58/263453758.db2.gz LRNSMGPWYORXMK-UHFFFAOYSA-N 0 0 371.784 3.523 50 5 FHBARN CCN(C(=O)COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000006113037 519918445 /nfs/dbraw/zinc/91/84/45/519918445.db2.gz YXWCFICMHXJJCI-UHFFFAOYSA-N 0 0 352.749 3.819 50 5 FHBARN O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)ccc1[O-] ZINC000247324510 527328559 /nfs/dbraw/zinc/32/85/59/527328559.db2.gz NBBNVPBSDZBGFS-YLJYHZDGSA-N 0 0 359.470 3.529 50 5 FHBARN CC1CCN(c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2[N+](=O)[O-])CC1 ZINC000009366399 535284798 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