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@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012790211 201868242 /nfs/dbraw/zinc/86/82/42/201868242.db2.gz QMPYINVCSNPUNZ-QGZVFWFLSA-N 0 0 326.352 3.581 50 5 EHBARN COc1ccc(CN(C(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000024236075 202114255 /nfs/dbraw/zinc/11/42/55/202114255.db2.gz ZNOFAOXVXCFZLF-UHFFFAOYSA-N 0 0 341.367 3.800 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000032768064 202233772 /nfs/dbraw/zinc/23/37/72/202233772.db2.gz LIEHHVIAVIQEQM-LBPRGKRZSA-N 0 0 346.770 3.746 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1Cc1ccccc1 ZINC000032900940 202240412 /nfs/dbraw/zinc/24/04/12/202240412.db2.gz YIXIFSKCTIGZDY-QGZVFWFLSA-N 0 0 325.368 3.834 50 5 EHBARN CCC(=O)Nc1ccc(C)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000032930643 202243076 /nfs/dbraw/zinc/24/30/76/202243076.db2.gz ZXNAZZVYTYYERK-UHFFFAOYSA-N 0 0 347.396 3.874 50 5 EHBARN O[C@]1(C(F)(F)F)CC(c2c3ccccc3cc3ccccc32)=NN1 ZINC000000114901 201435870 /nfs/dbraw/zinc/43/58/70/201435870.db2.gz TXMPFSPKFQEZCI-KRWDZBQOSA-N 0 0 330.309 3.941 50 5 EHBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccccc1 ZINC000000178453 201444473 /nfs/dbraw/zinc/44/44/73/201444473.db2.gz KLGYEOKZLKFCBU-RIYZIHGNSA-N 0 0 328.711 3.593 50 5 EHBARN COc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 ZINC000000432252 201472285 /nfs/dbraw/zinc/47/22/85/201472285.db2.gz HRMKNWQZQPNTBX-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000002648351 201539732 /nfs/dbraw/zinc/53/97/32/201539732.db2.gz ICGSJUAKPHAQIK-JTQLQIEISA-N 0 0 334.759 3.999 50 5 EHBARN O=C(CSc1nc2ccccc2o1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003229209 201561187 /nfs/dbraw/zinc/56/11/87/201561187.db2.gz JYPZYOCAAYOLJF-UHFFFAOYSA-N 0 0 347.327 3.606 50 5 EHBARN O=c1oc(/C=C/c2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc12 ZINC000003899912 201584763 /nfs/dbraw/zinc/58/47/63/201584763.db2.gz NEKBATUTCVMRFH-QPJJXVBHSA-N 0 0 328.711 3.920 50 5 EHBARN COc1cc(C(=O)N[C@H](C)CCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000004591340 201607287 /nfs/dbraw/zinc/60/72/87/201607287.db2.gz YGZVNSIYZCBNPG-GFCCVEGCSA-N 0 0 338.404 3.557 50 5 EHBARN Cc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000005612350 201657710 /nfs/dbraw/zinc/65/77/10/201657710.db2.gz MBIUCJYDWUKHBI-UHFFFAOYSA-N 0 0 328.412 3.849 50 5 EHBARN Nc1c(NC(=O)Cc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000096012015 203796675 /nfs/dbraw/zinc/79/66/75/203796675.db2.gz ZNHZGIFVLMUDES-UHFFFAOYSA-N 0 0 340.166 3.665 50 5 EHBARN COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000860125 206254099 /nfs/dbraw/zinc/25/40/99/206254099.db2.gz NHERPISHCYYISI-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN CC(C)C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000012930772 207265643 /nfs/dbraw/zinc/26/56/43/207265643.db2.gz QQFIUNDGNAZYBZ-INIZCTEOSA-N 0 0 342.395 3.877 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)c(OCc2nnc(C3CC3)n2C2CC2)c1 ZINC000097083551 527355995 /nfs/dbraw/zinc/35/59/95/527355995.db2.gz XPGZRUOYIFANRU-UHFFFAOYSA-N 0 0 334.763 3.631 50 5 EHBARN O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1 ZINC000004684935 563964033 /nfs/dbraw/zinc/96/40/33/563964033.db2.gz ZLKXILKGYZCJSZ-UHFFFAOYSA-N 0 0 348.794 3.921 50 5 EHBARN O=C1S/C(=C/c2cccs2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000004694925 563964427 /nfs/dbraw/zinc/96/44/27/563964427.db2.gz GZTSMHNRJUEKMK-MDWZMJQESA-N 0 0 346.389 3.893 50 5 EHBARN COc1ccc(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000004699596 563964441 /nfs/dbraw/zinc/96/44/41/563964441.db2.gz OGIKBJXTTWFYNA-UHFFFAOYSA-N 0 0 328.368 3.873 50 5 EHBARN Cc1ccccc1OCCNc1cc(N2CCCC2)ccc1[N+](=O)[O-] ZINC000004713185 563965913 /nfs/dbraw/zinc/96/59/13/563965913.db2.gz UINQJWGNSANDKB-UHFFFAOYSA-N 0 0 341.411 3.994 50 5 EHBARN O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1 ZINC000006276927 563981520 /nfs/dbraw/zinc/98/15/20/563981520.db2.gz CIDXIPSDHYLSMN-UHFFFAOYSA-N 0 0 342.746 3.920 50 5 EHBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cccc(F)c1 ZINC000000178442 563987747 /nfs/dbraw/zinc/98/77/47/563987747.db2.gz FJYOSGXPARLDQV-AUWJEWJLSA-N 0 0 346.701 3.732 50 5 EHBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)Sc2nc3ccccc3n21 ZINC000000240043 563989134 /nfs/dbraw/zinc/98/91/34/563989134.db2.gz ZQRMBNJTHJWGOB-CQSZACIVSA-N 0 0 325.349 3.822 50 5 EHBARN Cc1ccccc1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000000283054 563990220 /nfs/dbraw/zinc/99/02/20/563990220.db2.gz DENFHYYOMGHXBV-UHFFFAOYSA-N 0 0 332.315 3.857 50 5 EHBARN CCN(CC)C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000303086 563990824 /nfs/dbraw/zinc/99/08/24/563990824.db2.gz QSYHEHWAPZABBF-UHFFFAOYSA-N 0 0 336.335 3.574 50 5 EHBARN O=C(COc1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000315382 563990936 /nfs/dbraw/zinc/99/09/36/563990936.db2.gz PERRVYSPGDOWKC-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000354418 563991569 /nfs/dbraw/zinc/99/15/69/563991569.db2.gz QAAFKCPIFSTHAO-QGZVFWFLSA-N 0 0 343.770 3.946 50 5 EHBARN COCCCNc1ccc(C(=O)Nc2ccccc2C)cc1[N+](=O)[O-] ZINC000005068964 563994105 /nfs/dbraw/zinc/99/41/05/563994105.db2.gz KLTFMWSWMJPCTM-UHFFFAOYSA-N 0 0 343.383 3.604 50 5 EHBARN O=[N+]([O-])c1cccc(-c2noc(COc3ccccc3Cl)n2)c1 ZINC000000435954 563999327 /nfs/dbraw/zinc/99/93/27/563999327.db2.gz BKDPXHHLWRWOKF-UHFFFAOYSA-N 0 0 331.715 3.877 50 5 EHBARN Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000450411 563999786 /nfs/dbraw/zinc/99/97/86/563999786.db2.gz QPFKVSYRFANUNL-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC000000456158 563999815 /nfs/dbraw/zinc/99/98/15/563999815.db2.gz ZEBHYMZEBPZQFZ-UHFFFAOYSA-N 0 0 343.408 3.647 50 5 EHBARN O=C(Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000467177 564000788 /nfs/dbraw/zinc/00/07/88/564000788.db2.gz UOESBOWYBYQXRR-UHFFFAOYSA-N 0 0 327.123 3.860 50 5 EHBARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005514875 564004928 /nfs/dbraw/zinc/00/49/28/564004928.db2.gz WYJTXTAGSKIAKI-ZROIWOOFSA-N 0 0 328.711 3.593 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000000470326 564006174 /nfs/dbraw/zinc/00/61/74/564006174.db2.gz QKPWWQJDQMZWIW-LLVKDONJSA-N 0 0 332.381 3.723 50 5 EHBARN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)c1ccccc1 ZINC000005650938 564007013 /nfs/dbraw/zinc/00/70/13/564007013.db2.gz BNPJJUAYGVZHHG-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN CCOc1cccc(=O)c2c(C)n(-c3cccc([N+](=O)[O-])c3)c(C)c21 ZINC000000540158 564022459 /nfs/dbraw/zinc/02/24/59/564022459.db2.gz RVQVLLXHTJGAQF-UHFFFAOYSA-N 0 0 338.363 3.914 50 5 EHBARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@H]1CC1[N+](=O)[O-] ZINC000047248321 564025958 /nfs/dbraw/zinc/02/59/58/564025958.db2.gz GMHQFGHREYXNBA-JSGCOSHPSA-N 0 0 339.376 3.567 50 5 EHBARN O=[N+]([O-])c1cc(F)ccc1-n1nc(C(F)(F)F)c2c1CCCC2 ZINC000012396596 564050191 /nfs/dbraw/zinc/05/01/91/564050191.db2.gz WMXHJLRVOZGRHM-UHFFFAOYSA-N 0 0 329.253 3.817 50 5 EHBARN Cc1ccc(C(=O)Nc2nnc(CC3CCCC3)s2)cc1[N+](=O)[O-] ZINC000001005737 564054032 /nfs/dbraw/zinc/05/40/32/564054032.db2.gz NGXLUAPCFGVKPB-UHFFFAOYSA-N 0 0 346.412 3.740 50 5 EHBARN O=[N+]([O-])c1cccnc1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000052409051 564054271 /nfs/dbraw/zinc/05/42/71/564054271.db2.gz CSQBDDITYFWALH-UHFFFAOYSA-N 0 0 340.314 3.928 50 5 EHBARN C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000005971256 564057359 /nfs/dbraw/zinc/05/73/59/564057359.db2.gz AXMLFINANIMTAL-LBPRGKRZSA-N 0 0 337.335 3.549 50 5 EHBARN CC[C@@H](C)c1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-] ZINC000005971589 564057365 /nfs/dbraw/zinc/05/73/65/564057365.db2.gz UMOITUJBCWHAAI-GFCCVEGCSA-N 0 0 329.356 3.521 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000084581866 564068781 /nfs/dbraw/zinc/06/87/81/564068781.db2.gz DUSPHPCGRZPKQC-IBGZPJMESA-N 0 0 336.391 3.816 50 5 EHBARN C[C@H](NC(=O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000012856200 564075483 /nfs/dbraw/zinc/07/54/83/564075483.db2.gz IJBORVNMSYILKW-STQMWFEESA-N 0 0 347.440 3.527 50 5 EHBARN CC(C)(C)NC(=O)[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000075110521 564080287 /nfs/dbraw/zinc/08/02/87/564080287.db2.gz SWCPJAOFPGSGMM-CQSZACIVSA-N 0 0 339.823 3.522 50 5 EHBARN CCC(=O)Nc1nc(-c2ccccc2)nc2c3ccccc3oc(=O)c12 ZINC000016609861 564090699 /nfs/dbraw/zinc/09/06/99/564090699.db2.gz ZBQVTHMAMNGLTE-UHFFFAOYSA-N 0 0 345.358 3.752 50 5 EHBARN CC(=O)c1csc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000170603806 564109518 /nfs/dbraw/zinc/10/95/18/564109518.db2.gz UYBDBNZUHLKZSE-UHFFFAOYSA-N 0 0 341.348 3.659 50 5 EHBARN CC[C@@H](NC(=O)N(C)[C@@H](C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000089947857 564115705 /nfs/dbraw/zinc/11/57/05/564115705.db2.gz RCYBOBHNFJBVQD-SUMWQHHRSA-N 0 0 342.399 3.844 50 5 EHBARN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccsc1 ZINC000252452650 564118587 /nfs/dbraw/zinc/11/85/87/564118587.db2.gz UGWVAISODHQJIW-LRDDRELGSA-N 0 0 345.424 3.820 50 5 EHBARN COc1cccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 ZINC000007781288 564123221 /nfs/dbraw/zinc/12/32/21/564123221.db2.gz XGHBTKJABKNKKR-UHFFFAOYSA-N 0 0 331.715 3.974 50 5 EHBARN COc1ccccc1-c1csc(=N)n1-c1ccc([N+](=O)[O-])cc1 ZINC000019912272 564129108 /nfs/dbraw/zinc/12/91/08/564129108.db2.gz VNUZMWCQFYOCPS-UHFFFAOYSA-N 0 0 327.365 3.602 50 5 EHBARN C=Cc1ccc(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)cc1 ZINC000253429508 564131215 /nfs/dbraw/zinc/13/12/15/564131215.db2.gz SSXMAYUCGOQPAE-UHFFFAOYSA-N 0 0 335.363 3.692 50 5 EHBARN CC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155067701 564138181 /nfs/dbraw/zinc/13/81/81/564138181.db2.gz XDKYVPFVFKDPMH-UHFFFAOYSA-N 0 0 335.319 3.598 50 5 EHBARN O=[N+]([O-])c1cccnc1N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000022500643 564149438 /nfs/dbraw/zinc/14/94/38/564149438.db2.gz ATPJREVVCMRNFW-LBPRGKRZSA-N 0 0 340.408 3.984 50 5 EHBARN C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)C1 ZINC000002785593 564152618 /nfs/dbraw/zinc/15/26/18/564152618.db2.gz FOSBANRDECFAIY-ZDUSSCGKSA-N 0 0 344.367 3.639 50 5 EHBARN Cc1cccc(C)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000002835406 564152809 /nfs/dbraw/zinc/15/28/09/564152809.db2.gz BTGXRRBJYZAOMT-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN CCOc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002887377 564152952 /nfs/dbraw/zinc/15/29/52/564152952.db2.gz WVHLVPDZZZUKRI-UHFFFAOYSA-N 0 0 346.408 3.865 50 5 EHBARN Cc1c2cc([N+](=O)[O-])ccc2oc1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003051179 564154701 /nfs/dbraw/zinc/15/47/01/564154701.db2.gz NGFCXQJABWHOHN-UHFFFAOYSA-N 0 0 326.264 3.789 50 5 EHBARN C[P@](=O)(Nc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 ZINC000003178812 564155619 /nfs/dbraw/zinc/15/56/19/564155619.db2.gz LHPVJFKFEOASAG-OAQYLSRUSA-N 0 0 337.341 3.575 50 5 EHBARN Cc1ccc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000003416236 564158036 /nfs/dbraw/zinc/15/80/36/564158036.db2.gz QFMYCMANHCGFPX-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN O=[N+]([O-])c1ccc(NCCCOc2nonc2-c2ccccc2)cc1 ZINC000003877912 564159556 /nfs/dbraw/zinc/15/95/56/564159556.db2.gz YASKGWXBRMFQCC-UHFFFAOYSA-N 0 0 340.339 3.526 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000357723453 564161154 /nfs/dbraw/zinc/16/11/54/564161154.db2.gz FDVKRTZJZLOREH-UHFFFAOYSA-N 0 0 343.364 3.801 50 5 EHBARN CCOc1ccccc1-c1nnc(Sc2ncccc2[N+](=O)[O-])o1 ZINC000008788327 564167399 /nfs/dbraw/zinc/16/73/99/564167399.db2.gz MOKFKXNGOGVBRI-UHFFFAOYSA-N 0 0 344.352 3.590 50 5 EHBARN Cc1cc2nnc(Sc3ccc([N+](=O)[O-])nc3)n2c2ccccc12 ZINC000009368133 564173057 /nfs/dbraw/zinc/17/30/57/564173057.db2.gz NKAOTZRTYGMXDB-UHFFFAOYSA-N 0 0 337.364 3.645 50 5 EHBARN O=C(NCCOc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000010994901 201805386 /nfs/dbraw/zinc/80/53/86/201805386.db2.gz RZGGRDVYEWVHPG-UHFFFAOYSA-N 0 0 336.347 3.557 50 5 EHBARN CNc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-] ZINC000012633717 201859257 /nfs/dbraw/zinc/85/92/57/201859257.db2.gz NVYOWPUOFFRULF-UHFFFAOYSA-N 0 0 346.412 3.614 50 5 EHBARN Cc1nnc(SCc2cccc([N+](=O)[O-])c2)c2cc3occc3n21 ZINC000020386408 202040291 /nfs/dbraw/zinc/04/02/91/202040291.db2.gz NTJMRVRAFLCKSS-UHFFFAOYSA-N 0 0 340.364 3.984 50 5 EHBARN CCCc1noc(-c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)n1 ZINC000020898021 202057322 /nfs/dbraw/zinc/05/73/22/202057322.db2.gz GDLCUFWLJWYELD-UHFFFAOYSA-N 0 0 339.355 3.604 50 5 EHBARN C[N+]1([O-])CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 ZINC000022055066 202078917 /nfs/dbraw/zinc/07/89/17/202078917.db2.gz OGUCZBIQSYYWEF-UHFFFAOYSA-N 0 0 342.830 3.735 50 5 world EHBARN CN(CCOc1ccccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024236652 202114324 /nfs/dbraw/zinc/11/43/24/202114324.db2.gz JFBQTDFOVMUMAD-UHFFFAOYSA-N 0 0 349.774 3.791 50 5 EHBARN Cc1cn2c(/C=C\C(=O)Oc3cccc([N+](=O)[O-])c3)c(C)nc2s1 ZINC000096926616 201378463 /nfs/dbraw/zinc/37/84/63/201378463.db2.gz GYQWNDDRZPYYIC-SREVYHEPSA-N 0 0 343.364 3.540 50 5 EHBARN COc1cc(SC)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000337769 201462135 /nfs/dbraw/zinc/46/21/35/201462135.db2.gz GOPQYQAUGLRMTQ-UHFFFAOYSA-N 0 0 332.381 3.886 50 5 EHBARN COCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000001774802 201519528 /nfs/dbraw/zinc/51/95/28/201519528.db2.gz RBYBEEPKZVHFPU-UHFFFAOYSA-N 0 0 338.367 3.653 50 5 EHBARN CC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000002881011 201550518 /nfs/dbraw/zinc/55/05/18/201550518.db2.gz INMHQGSHONASGU-UHFFFAOYSA-N 0 0 348.742 3.564 50 5 EHBARN CCOc1ncccc1C(=O)Nc1ccc2cccc([N+](=O)[O-])c2c1 ZINC000003910366 201585000 /nfs/dbraw/zinc/58/50/00/201585000.db2.gz YRCYGAVLLTXWRI-UHFFFAOYSA-N 0 0 337.335 3.794 50 5 EHBARN CCN(C(=O)c1c(C)c([N+](=O)[O-])c(C)nc1Cl)c1ccccc1 ZINC000004754019 201616553 /nfs/dbraw/zinc/61/65/53/201616553.db2.gz NCXVSWMNTKOTEF-UHFFFAOYSA-N 0 0 333.775 3.927 50 5 EHBARN Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005533007 201654322 /nfs/dbraw/zinc/65/43/22/201654322.db2.gz BGZBITFHYLECLE-UHFFFAOYSA-N 0 0 325.118 3.511 50 5 EHBARN O=[N+]([O-])c1ccc(Nc2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000070040684 203072935 /nfs/dbraw/zinc/07/29/35/203072935.db2.gz OKQKWARBEXKXIZ-UHFFFAOYSA-N 0 0 328.328 3.847 50 5 EHBARN COc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000072496100 203234202 /nfs/dbraw/zinc/23/42/02/203234202.db2.gz XTFLUVQTAOPVIL-LBPRGKRZSA-N 0 0 326.352 3.585 50 5 EHBARN CC(C)CC(=O)N[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000102004837 204030644 /nfs/dbraw/zinc/03/06/44/204030644.db2.gz UKUUUKTWXDVWKF-OAHLLOKOSA-N 0 0 346.387 3.504 50 5 EHBARN COc1cccc(-c2nnc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000000153157 205416916 /nfs/dbraw/zinc/41/69/16/205416916.db2.gz RJKGFXOOHQDIJC-UHFFFAOYSA-N 0 0 331.715 3.974 50 5 EHBARN O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005050848 205749290 /nfs/dbraw/zinc/74/92/90/205749290.db2.gz XKERFMALTBEROZ-UHFFFAOYSA-N 0 0 331.416 3.648 50 5 EHBARN Cc1nc(CN2CCC(CNc3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000071894597 258064047 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COC(=O)Cn1c2ccc(C)cc2c2nc3cc(C)c(C)cc3nc21 ZINC000013693445 563712965 /nfs/dbraw/zinc/71/29/65/563712965.db2.gz VABUOZOJTVHSFS-UHFFFAOYSA-N 0 0 333.391 3.836 50 5 EHBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004525573 563757208 /nfs/dbraw/zinc/75/72/08/563757208.db2.gz UOGILMHGDBCCSU-VFZGTOFNSA-N 0 0 343.408 3.635 50 5 EHBARN CCCC[C@@H](CC)CNC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004600068 563926416 /nfs/dbraw/zinc/92/64/16/563926416.db2.gz QHDZIPRFYPIEIY-CQSZACIVSA-N 0 0 349.431 3.646 50 5 EHBARN Cc1nc(-c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)no1 ZINC000058402570 563944939 /nfs/dbraw/zinc/94/49/39/563944939.db2.gz DOUUNIYCGRLGCX-UHFFFAOYSA-N 0 0 342.267 3.654 50 5 EHBARN C[C@@H]1CCCN(c2ccc(C(=O)NC3CCCC3)cc2[N+](=O)[O-])C1 ZINC000004660674 563963512 /nfs/dbraw/zinc/96/35/12/563963512.db2.gz SWCOLCWHSGFQQH-CYBMUJFWSA-N 0 0 331.416 3.504 50 5 EHBARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000048121 563968626 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CN(Cc1cccs1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000004906563 563992416 /nfs/dbraw/zinc/99/24/16/563992416.db2.gz MDYFMSPFAHDIKW-UHFFFAOYSA-N 0 0 331.397 3.503 50 5 EHBARN COc1c(C(=O)N(C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000408515326 563992969 /nfs/dbraw/zinc/99/29/69/563992969.db2.gz VZCLHHKSNMWDIZ-UHFFFAOYSA-N 0 0 344.367 3.667 50 5 EHBARN Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000005126700 563994454 /nfs/dbraw/zinc/99/44/54/563994454.db2.gz DRUIJEOYEREEHO-UHFFFAOYSA-N 0 0 334.397 3.827 50 5 EHBARN CCC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000444432 563999555 /nfs/dbraw/zinc/99/95/55/563999555.db2.gz NDTSNBOGRHWGGY-UHFFFAOYSA-N 0 0 327.340 3.504 50 5 EHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1Cl ZINC000000447732 563999578 /nfs/dbraw/zinc/99/95/78/563999578.db2.gz NHACPWHUFCPHBE-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 ZINC000005617485 564006485 /nfs/dbraw/zinc/00/64/85/564006485.db2.gz 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EHBARN Cc1cc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1[N+](=O)[O-] ZINC000012919282 564078153 /nfs/dbraw/zinc/07/81/53/564078153.db2.gz FAFBTKMJRRXMQO-UHFFFAOYSA-N 0 0 339.351 3.504 50 5 EHBARN CCNc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000016022495 564079105 /nfs/dbraw/zinc/07/91/05/564079105.db2.gz VYMCATBFXSJRQK-UHFFFAOYSA-N 0 0 343.427 3.725 50 5 EHBARN CC(=O)Nc1ccc(OC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001741913 564086194 /nfs/dbraw/zinc/08/61/94/564086194.db2.gz XJNWASOYVTXEGP-UHFFFAOYSA-N 0 0 349.730 3.818 50 5 EHBARN COc1ccc(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000001753789 564087206 /nfs/dbraw/zinc/08/72/06/564087206.db2.gz PWGXKLVYXGCPLL-UHFFFAOYSA-N 0 0 331.328 3.564 50 5 EHBARN CSc1nc2ncnc(Oc3ccc(F)cc3[N+](=O)[O-])c2s1 ZINC000092642519 564089069 /nfs/dbraw/zinc/08/90/69/564089069.db2.gz MRAQVQFGLSIVJM-UHFFFAOYSA-N 0 0 338.345 3.648 50 5 EHBARN Cc1cc(Cl)ccc1NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000006784397 564097650 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CCCCNc1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] ZINC000008587163 564165925 /nfs/dbraw/zinc/16/59/25/564165925.db2.gz SEAUUBSULSEXJV-UHFFFAOYSA-N 0 0 339.355 3.919 50 5 EHBARN COc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000067991423 564167469 /nfs/dbraw/zinc/16/74/69/564167469.db2.gz RJQOGWGEFOPIPY-UHFFFAOYSA-N 0 0 342.685 3.787 50 5 EHBARN O=C(NCc1ccco1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000040128009 564168267 /nfs/dbraw/zinc/16/82/67/564168267.db2.gz ZMILLHBWPWDZLO-UHFFFAOYSA-N 0 0 338.319 3.910 50 5 EHBARN CN(CC1CC1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000040151991 564168436 /nfs/dbraw/zinc/16/84/36/564168436.db2.gz BNZAFTADRWVDIZ-UHFFFAOYSA-N 0 0 325.368 3.820 50 5 EHBARN Cc1cccc2nc(CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)cn21 ZINC000009065812 564168751 /nfs/dbraw/zinc/16/87/51/564168751.db2.gz MSHIMUGEPKRTPV-UHFFFAOYSA-N 0 0 339.380 3.720 50 5 EHBARN CCOC(=O)Cn1c2nc3ccccc3nc2c2cccc(Cl)c21 ZINC000040487573 564169907 /nfs/dbraw/zinc/16/99/07/564169907.db2.gz 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ZINC000025494003 202132428 /nfs/dbraw/zinc/13/24/28/202132428.db2.gz PFHUTXZMNWQQGF-UHFFFAOYSA-N 0 0 333.351 3.656 50 5 EHBARN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2n1 ZINC000040073743 202168237 /nfs/dbraw/zinc/16/82/37/202168237.db2.gz QNYSPFJNEALZOZ-UHFFFAOYSA-N 0 0 325.299 3.843 50 5 EHBARN CCOCc1cccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC000068004894 202203489 /nfs/dbraw/zinc/20/34/89/202203489.db2.gz LAVBHCYDJAAXES-UHFFFAOYSA-N 0 0 336.294 3.662 50 5 EHBARN O=[N+]([O-])c1cc(Cl)ccc1OCc1nc(Cc2ccccc2)no1 ZINC000031651688 202208431 /nfs/dbraw/zinc/20/84/31/202208431.db2.gz IYUVBNCKUUXPPT-UHFFFAOYSA-N 0 0 345.742 3.801 50 5 EHBARN CC(=C\c1ccccc1)/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000033921573 202271793 /nfs/dbraw/zinc/27/17/93/202271793.db2.gz YHKYPNUYZHSYSW-NEOBQEPSSA-N 0 0 334.331 3.886 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)c1ccccc1F ZINC000040083185 202422419 /nfs/dbraw/zinc/42/24/19/202422419.db2.gz MBKQVDOJVBOOGB-CQSZACIVSA-N 0 0 344.264 3.898 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2ccccc2)CCC1 ZINC000040158660 202426691 /nfs/dbraw/zinc/42/66/91/202426691.db2.gz BRCPNWKYFHTZSZ-UHFFFAOYSA-N 0 0 341.367 3.804 50 5 EHBARN C[C@H](Sc1nnc(N2CCCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000052912512 202651821 /nfs/dbraw/zinc/65/18/21/202651821.db2.gz KJSGVXGFTLDQSI-JTQLQIEISA-N 0 0 336.442 3.900 50 5 EHBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F ZINC000000090741 201432637 /nfs/dbraw/zinc/43/26/37/201432637.db2.gz GAGWKXCARNYRCN-UHFFFAOYSA-N 0 0 329.205 3.972 50 5 EHBARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000000179461 201444163 /nfs/dbraw/zinc/44/41/63/201444163.db2.gz UBXANLQVKBQMCL-UHFFFAOYSA-N 0 0 344.327 3.505 50 5 EHBARN CCCC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000444648 201474203 /nfs/dbraw/zinc/47/42/03/201474203.db2.gz YHVFFNDUIPUMFS-UHFFFAOYSA-N 0 0 327.340 3.586 50 5 EHBARN Cc1nc([N+](=O)[O-])cn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000426656 201471061 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COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C)cc1SC ZINC000069777034 203048645 /nfs/dbraw/zinc/04/86/45/203048645.db2.gz RCDCSEFEPPONEW-ZYHUDNBSSA-N 0 0 338.429 3.634 50 5 EHBARN Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000006506609 205809313 /nfs/dbraw/zinc/80/93/13/205809313.db2.gz XRVWKQFDKOAMDU-UHFFFAOYSA-N 0 0 342.380 3.510 50 5 EHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(Br)c1 ZINC000008728135 205859894 /nfs/dbraw/zinc/85/98/94/205859894.db2.gz XYGVYJHVJQUCHU-UHFFFAOYSA-N 0 0 325.118 3.511 50 5 EHBARN CS[C@@H]1CCCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000156029543 206051017 /nfs/dbraw/zinc/05/10/17/206051017.db2.gz XUMFBJQOYPYCSF-CYBMUJFWSA-N 0 0 337.445 3.961 50 5 EHBARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000319228 206232829 /nfs/dbraw/zinc/23/28/29/206232829.db2.gz MHQAZSJEAGSQIT-LBPRGKRZSA-N 0 0 332.787 3.999 50 5 EHBARN CC(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000001137704 206266532 /nfs/dbraw/zinc/26/65/32/206266532.db2.gz CYJTUBCWGIBXKA-UHFFFAOYSA-N 0 0 340.792 3.551 50 5 EHBARN O=C1NC(=S)SC1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000012693489 207186184 /nfs/dbraw/zinc/18/61/84/207186184.db2.gz URVIRCVXYRWMIM-WQLSENKSSA-N 0 0 331.378 3.715 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)OC/C=C/c1ccccc1 ZINC000004797190 210280224 /nfs/dbraw/zinc/28/02/24/210280224.db2.gz XNVPZRDJTRNOJN-VMPITWQZSA-N 0 0 328.324 3.865 50 5 EHBARN C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172754017 257954438 /nfs/dbraw/zinc/95/44/38/257954438.db2.gz JBCWBYABGZJMSJ-LLVKDONJSA-N 0 0 334.322 3.635 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(F)cc3)CC2)c(F)c1 ZINC000057140027 132198640 /nfs/dbraw/zinc/19/86/40/132198640.db2.gz ONHRUYJGQFBYKL-UHFFFAOYSA-N 0 0 333.338 3.954 50 5 EHBARN Cc1cc(C(=O)N2CCCc3c(F)cc(F)cc32)ccc1[N+](=O)[O-] ZINC000040090384 132397753 /nfs/dbraw/zinc/39/77/53/132397753.db2.gz CPGABWXWXZMXTR-UHFFFAOYSA-N 0 0 332.306 3.774 50 5 EHBARN O=c1c2ccccc2c2ccccc2c(=O)n1CCc1ccccc1 ZINC000000481553 563336470 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Cc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000004682336 563963987 /nfs/dbraw/zinc/96/39/87/563963987.db2.gz AYISQFWUVDVSJI-UHFFFAOYSA-N 0 0 343.408 3.647 50 5 EHBARN O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccccc3)cccc21 ZINC000004818007 563974943 /nfs/dbraw/zinc/97/49/43/563974943.db2.gz FBPVMMOORMOZDW-UHFFFAOYSA-N 0 0 328.349 3.549 50 5 EHBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccs1 ZINC000043944575 563976400 /nfs/dbraw/zinc/97/64/00/563976400.db2.gz PUCBSXMGIUPWBO-CYBMUJFWSA-N 0 0 347.352 3.542 50 5 EHBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccccc1F ZINC000000197294 563988239 /nfs/dbraw/zinc/98/82/39/563988239.db2.gz WJRHXIKQIMPSLM-QPEQYQDCSA-N 0 0 346.701 3.732 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000000302792 563990786 /nfs/dbraw/zinc/99/07/86/563990786.db2.gz BGACUBIDEQLCKV-UHFFFAOYSA-N 0 0 340.257 3.631 50 5 EHBARN Cc1ccccc1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000000344991 563991355 /nfs/dbraw/zinc/99/13/55/563991355.db2.gz QNNPRKARJKHJJN-UHFFFAOYSA-N 0 0 332.315 3.857 50 5 EHBARN CCOc1ccccc1NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000000359498 563991511 /nfs/dbraw/zinc/99/15/11/563991511.db2.gz MPXLTIJOAZNGBC-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN CCC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000000372851 563991805 /nfs/dbraw/zinc/99/18/05/563991805.db2.gz BERKVFMNCNMUJI-UHFFFAOYSA-N 0 0 334.401 3.695 50 5 EHBARN COc1ccc(Cl)cc1NC(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000004937526 563992660 /nfs/dbraw/zinc/99/26/60/563992660.db2.gz ZLRWCRTUCLFJNW-UHFFFAOYSA-N 0 0 339.735 3.621 50 5 EHBARN Cc1cc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000004996739 563993684 /nfs/dbraw/zinc/99/36/84/563993684.db2.gz NNTGUFQIOMHZIP-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000011725441 563994836 /nfs/dbraw/zinc/99/48/36/563994836.db2.gz HZXFYYQLHHWVPC-UHFFFAOYSA-N 0 0 348.742 3.662 50 5 EHBARN CCc1c(C)sc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)OC ZINC000000433829 563999326 /nfs/dbraw/zinc/99/93/26/563999326.db2.gz QICGANFGZAQGFR-UHFFFAOYSA-N 0 0 348.380 3.566 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc2ccccc2c1 ZINC000000469530 564000766 /nfs/dbraw/zinc/00/07/66/564000766.db2.gz WZXIZTIZSLWXGQ-UHFFFAOYSA-N 0 0 349.342 3.717 50 5 EHBARN Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000468350 564000801 /nfs/dbraw/zinc/00/08/01/564000801.db2.gz XJGRUBZPJOCBIU-UHFFFAOYSA-N 0 0 344.371 3.822 50 5 EHBARN Cc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000000463000 564000825 /nfs/dbraw/zinc/00/08/25/564000825.db2.gz OJBMBKSKNVRLHO-AWEZNQCLSA-N 0 0 328.368 3.926 50 5 EHBARN COc1ccc(OCc2coc(-c3cccs3)n2)c([N+](=O)[O-])c1 ZINC000005429572 564003914 /nfs/dbraw/zinc/00/39/14/564003914.db2.gz WKKZMLANSFUDSG-UHFFFAOYSA-N 0 0 332.337 3.899 50 5 EHBARN CN(Cc1ccccc1F)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000004906574 564005561 /nfs/dbraw/zinc/00/55/61/564005561.db2.gz 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O=c1[nH]cnc2cc(NCC3CCCCCCC3)c([N+](=O)[O-])cc21 ZINC000084338836 564067826 /nfs/dbraw/zinc/06/78/26/564067826.db2.gz LAFQXWFMJHHODK-UHFFFAOYSA-N 0 0 330.388 3.604 50 5 EHBARN CC(C)c1noc(-c2ccc(NCc3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000015833949 564076128 /nfs/dbraw/zinc/07/61/28/564076128.db2.gz XXHXSZYKOZEBRY-UHFFFAOYSA-N 0 0 339.355 3.775 50 5 EHBARN O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccccc2Cl)cs1 ZINC000186343329 564077289 /nfs/dbraw/zinc/07/72/89/564077289.db2.gz HKFBJHNNLLHHNZ-UHFFFAOYSA-N 0 0 347.783 3.582 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000053751571 564082861 /nfs/dbraw/zinc/08/28/61/564082861.db2.gz QJILAGVZVUCKTK-HNNXBMFYSA-N 0 0 345.330 3.769 50 5 EHBARN CCCCOc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000001777474 564087462 /nfs/dbraw/zinc/08/74/62/564087462.db2.gz ZBDQATDFYBSWLN-UHFFFAOYSA-N 0 0 344.367 3.791 50 5 EHBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1Br ZINC000006507713 564091174 /nfs/dbraw/zinc/09/11/74/564091174.db2.gz TVZGOIYYBHETMX-UHFFFAOYSA-N 0 0 341.186 3.980 50 5 EHBARN O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002054517 564093386 /nfs/dbraw/zinc/09/33/86/564093386.db2.gz HBMKYWLXJOKSMB-UHFFFAOYSA-N 0 0 341.323 3.634 50 5 EHBARN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 ZINC000006851667 564099615 /nfs/dbraw/zinc/09/96/15/564099615.db2.gz ZCAIGYHFERQWEC-UHFFFAOYSA-N 0 0 330.369 3.759 50 5 EHBARN O=C(c1ccccc1)c1ccc(N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000065491668 564106502 /nfs/dbraw/zinc/10/65/02/564106502.db2.gz YWSKDSHIAWRAAY-WMZOPIPTSA-N 0 0 340.379 3.541 50 5 EHBARN CN(C)C(=O)Sc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000065523817 564106868 /nfs/dbraw/zinc/10/68/68/564106868.db2.gz JOIRHEJUVYMZAC-UHFFFAOYSA-N 0 0 345.380 3.621 50 5 EHBARN O=[N+]([O-])c1ccc(NC(=S)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000065710582 564109560 /nfs/dbraw/zinc/10/95/60/564109560.db2.gz WZFOLYGSDMAJJH-ZAQWFSBCSA-N 0 0 331.441 3.802 50 5 EHBARN 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1137485062 /nfs/dbraw/zinc/48/50/62/1137485062.db2.gz OELBCSRTBIAERP-UHFFFAOYSA-N 0 0 342.403 3.662 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000055542843 214328453 /nfs/dbraw/zinc/32/84/53/214328453.db2.gz YFISBISPUQNHLD-UHFFFAOYSA-N 0 0 349.793 3.710 50 5 EHBARN CC1=C(C)[C@H](Nc2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O ZINC000004560541 210220675 /nfs/dbraw/zinc/22/06/75/210220675.db2.gz NNPLNKBTRDRNRK-GOSISDBHSA-N 0 0 337.379 3.712 50 5 EHBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008562372 201753743 /nfs/dbraw/zinc/75/37/43/201753743.db2.gz FEGNBFIOBGXKDQ-SECBINFHSA-N 0 0 338.722 3.793 50 5 EHBARN CC(=O)c1ccc(NCCCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000016738046 201979363 /nfs/dbraw/zinc/97/93/63/201979363.db2.gz QKIQIXFJTPXZIB-UHFFFAOYSA-N 0 0 328.368 3.987 50 5 EHBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Br)c1 ZINC000037500561 202000940 /nfs/dbraw/zinc/00/09/40/202000940.db2.gz NHULREPYYDNYRI-UHFFFAOYSA-N 0 0 349.184 3.630 50 5 EHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1Cl ZINC000040012832 213250578 /nfs/dbraw/zinc/25/05/78/213250578.db2.gz JKNJCUZCTOSWAN-MRVPVSSYSA-N 0 0 342.182 3.731 50 5 EHBARN Nc1cc(Cl)nc(Nc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000023283612 202102131 /nfs/dbraw/zinc/10/21/31/202102131.db2.gz FJMGSSIRMHZXNZ-UHFFFAOYSA-N 0 0 343.568 3.732 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000024542425 202117088 /nfs/dbraw/zinc/11/70/88/202117088.db2.gz KZYREYOOWSNOST-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN Cc1cccc2c1N[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1)NC2=O ZINC000028923752 202178842 /nfs/dbraw/zinc/17/88/42/202178842.db2.gz LLIZCCGZMMRIKN-GOSISDBHSA-N 0 0 348.362 3.548 50 5 EHBARN CC[C@@H](Nc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1ccccc1OC ZINC000029589045 202189144 /nfs/dbraw/zinc/18/91/44/202189144.db2.gz ODJWZGHSNSYIGV-CYBMUJFWSA-N 0 0 343.387 3.531 50 5 EHBARN O=[N+]([O-])c1cccc(OCc2noc(-c3ccccc3Cl)n2)c1 ZINC000031676933 202208269 /nfs/dbraw/zinc/20/82/69/202208269.db2.gz XEXOWDJNDBSGTK-UHFFFAOYSA-N 0 0 331.715 3.877 50 5 EHBARN Cc1cccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000032777256 202234301 /nfs/dbraw/zinc/23/43/01/202234301.db2.gz PKQSLBPXICXNJD-UHFFFAOYSA-N 0 0 343.364 3.775 50 5 EHBARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000032719714 202231268 /nfs/dbraw/zinc/23/12/68/202231268.db2.gz QLWSZYAKGDQQFB-UHFFFAOYSA-N 0 0 346.358 3.713 50 5 EHBARN CCn1cnc2cc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)ccc21 ZINC000035453489 202303731 /nfs/dbraw/zinc/30/37/31/202303731.db2.gz FSZSSRWVNNPXJI-UHFFFAOYSA-N 0 0 335.323 3.681 50 5 EHBARN O=[N+]([O-])c1cccc([C@@H]2c3cccn3CCCN2Cc2cccnc2)c1 ZINC000037522409 202345997 /nfs/dbraw/zinc/34/59/97/202345997.db2.gz FZQOULUSLRWQCR-HXUWFJFHSA-N 0 0 348.406 3.787 50 5 EHBARN Cc1nc(SCCn2cc([N+](=O)[O-])cn2)n(C2CCCC2)c1C ZINC000074783182 202372949 /nfs/dbraw/zinc/37/29/49/202372949.db2.gz KTSFYXAFYPJUCY-UHFFFAOYSA-N 0 0 335.433 3.512 50 5 EHBARN COc1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1NC(C)=O ZINC000024213908 212413119 /nfs/dbraw/zinc/41/31/19/212413119.db2.gz OSUKPVCQBGRMBI-UHFFFAOYSA-N 0 0 343.339 3.508 50 5 EHBARN O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc12 ZINC000000063589 201429156 /nfs/dbraw/zinc/42/91/56/201429156.db2.gz FTYJZVFPQSKQQE-UHFFFAOYSA-N 0 0 347.124 3.526 50 5 EHBARN Cc1ccc([C@@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000520824 201482817 /nfs/dbraw/zinc/48/28/17/201482817.db2.gz URUHSVUUYGSFBK-KRWDZBQOSA-N 0 0 328.393 3.791 50 5 EHBARN COc1cccc(OC)c1OCCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000002984197 201553729 /nfs/dbraw/zinc/55/37/29/201553729.db2.gz SVZLQGAOTLEZNR-UHFFFAOYSA-N 0 0 347.367 3.768 50 5 EHBARN O=C([C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005540264 201654459 /nfs/dbraw/zinc/65/44/59/201654459.db2.gz CBNWFPTVXBGBFO-WNASQKBVSA-N 0 0 327.380 3.820 50 5 EHBARN O=C(c1ccccc1)c1ccc(N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000065491665 202853775 /nfs/dbraw/zinc/85/37/75/202853775.db2.gz YWSKDSHIAWRAAY-AEFFLSMTSA-N 0 0 340.379 3.541 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(F)(F)F)c1ccccn1 ZINC000069741593 203044974 /nfs/dbraw/zinc/04/49/74/203044974.db2.gz KLUDEHRWFBJKPQ-UHFFFAOYSA-N 0 0 339.273 3.507 50 5 EHBARN C[C@H](O)C(C)(C)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095447231 203745069 /nfs/dbraw/zinc/74/50/69/203745069.db2.gz OYAAMNYTVRSBQI-LURJTMIESA-N 0 0 326.702 3.838 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000097142227 203926651 /nfs/dbraw/zinc/92/66/51/203926651.db2.gz MSGLQKHPNNEDBN-WBVHZDCISA-N 0 0 341.367 3.637 50 5 EHBARN CS[C@H]1CCCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000156029451 206051233 /nfs/dbraw/zinc/05/12/33/206051233.db2.gz XUMFBJQOYPYCSF-ZDUSSCGKSA-N 0 0 337.445 3.961 50 5 EHBARN O=C(Nc1nc2c(s1)CCCC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000567808 206243250 /nfs/dbraw/zinc/24/32/50/206243250.db2.gz JTHNEEXAZRSMLZ-UHFFFAOYSA-N 0 0 337.788 3.836 50 5 EHBARN Cc1ccc(C)c2c1s/c(=N\C(=O)c1cccc([N+](=O)[O-])c1)n2C ZINC000100908628 206263837 /nfs/dbraw/zinc/26/38/37/206263837.db2.gz RQIDLQPYAQHAMV-ZCXUNETKSA-N 0 0 341.392 3.506 50 5 EHBARN CSc1ccc(Cl)c(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000170619872 206589916 /nfs/dbraw/zinc/58/99/16/206589916.db2.gz PJSBLSWTASJJRN-UHFFFAOYSA-N 0 0 337.788 3.642 50 5 EHBARN O=[N+]([O-])c1cnccc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067373933 132811586 /nfs/dbraw/zinc/81/15/86/132811586.db2.gz LADQZORPKBUCIR-KRWDZBQOSA-N 0 0 347.802 3.593 50 5 EHBARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004660687 135665277 /nfs/dbraw/zinc/66/52/77/135665277.db2.gz MEFFEMPVOVKYLL-HOCLYGCPSA-N 0 0 345.443 3.894 50 5 EHBARN Cc1cccc(CSCCNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000004819885 524460683 /nfs/dbraw/zinc/46/06/83/524460683.db2.gz VCJAEDPUSNCVHV-UHFFFAOYSA-N 0 0 344.436 3.875 50 5 EHBARN COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000097757204 563648954 /nfs/dbraw/zinc/64/89/54/563648954.db2.gz KWYWCHQVJPDDJC-UHFFFAOYSA-N 0 0 341.241 3.947 50 5 EHBARN Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000004479437 563729101 /nfs/dbraw/zinc/72/91/01/563729101.db2.gz LCDJVHFRRJLDAA-UHFFFAOYSA-N 0 0 338.323 3.514 50 5 EHBARN CC(=O)c1ccc(Sc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000007983454 563920149 /nfs/dbraw/zinc/92/01/49/563920149.db2.gz SABMVUOLLPTPEP-UHFFFAOYSA-N 0 0 331.349 3.720 50 5 EHBARN CCCCCc1nnc(NC(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC000004814254 563974945 /nfs/dbraw/zinc/97/49/45/563974945.db2.gz RQIFFZLRHCYQCB-UHFFFAOYSA-N 0 0 334.401 3.740 50 5 EHBARN Cc1ccc(C)c(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000000099464 563976453 /nfs/dbraw/zinc/97/64/53/563976453.db2.gz BGVBTAWARSBCEA-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000000165482 563987491 /nfs/dbraw/zinc/98/74/91/563987491.db2.gz XEFXXMHTSAVUEF-UHFFFAOYSA-N 0 0 325.168 3.818 50 5 EHBARN O=C(c1ccccc1)n1nccc1-c1ccc([N+](=O)[O-])cc1Cl ZINC000000172358 563987580 /nfs/dbraw/zinc/98/75/80/563987580.db2.gz 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ZINC000024537701 564023127 /nfs/dbraw/zinc/02/31/27/564023127.db2.gz ZDPOEBVKXNMMIT-UHFFFAOYSA-N 0 0 341.411 3.616 50 5 EHBARN COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000000609423 564027173 /nfs/dbraw/zinc/02/71/73/564027173.db2.gz AHZFYZFBXWPVSP-UHFFFAOYSA-N 0 0 331.328 3.564 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000044884751 564027615 /nfs/dbraw/zinc/02/76/15/564027615.db2.gz FWRIOKZSKDUUPU-GHMZBOCLSA-N 0 0 346.305 3.911 50 5 EHBARN COc1ccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000613069 564031795 /nfs/dbraw/zinc/03/17/95/564031795.db2.gz AWYGHUCNZYRTHY-UHFFFAOYSA-N 0 0 346.408 3.784 50 5 EHBARN O=[N+]([O-])c1ccc(-n2nnnc2SCc2cccc(Cl)c2)cc1 ZINC000000617074 564031803 /nfs/dbraw/zinc/03/18/03/564031803.db2.gz FVBXIDGUAODNIO-UHFFFAOYSA-N 0 0 347.787 3.516 50 5 EHBARN CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000612811 564031833 /nfs/dbraw/zinc/03/18/33/564031833.db2.gz UDUAZOWRSKHYMB-CQSZACIVSA-N 0 0 329.381 3.744 50 5 EHBARN Cc1[nH]nc2c1[C@@H](c1cccc([N+](=O)[O-])c1)N(c1ccc(C)cc1)C2=O ZINC000005818271 564053610 /nfs/dbraw/zinc/05/36/10/564053610.db2.gz OAWXVMDTUSBPPH-GOSISDBHSA-N 0 0 348.362 3.685 50 5 EHBARN O=C1NC(=S)SC1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000001212846 564056555 /nfs/dbraw/zinc/05/65/55/564056555.db2.gz FWVSOGBLFFIYHS-XYOKQWHBSA-N 0 0 331.378 3.715 50 5 EHBARN CCCCC(=O)NCCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000003768006 564060244 /nfs/dbraw/zinc/06/02/44/564060244.db2.gz HSDGTFZMBTUWJT-UHFFFAOYSA-N 0 0 333.413 3.567 50 5 EHBARN Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(F)c1 ZINC000015313898 564060597 /nfs/dbraw/zinc/06/05/97/564060597.db2.gz QCUDLRWLJPUFLE-UHFFFAOYSA-N 0 0 329.331 3.869 50 5 EHBARN C[C@@H](Sc1nnc(N2CCCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000052912513 564063066 /nfs/dbraw/zinc/06/30/66/564063066.db2.gz KJSGVXGFTLDQSI-SNVBAGLBSA-N 0 0 336.442 3.900 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000084581867 564068800 /nfs/dbraw/zinc/06/88/00/564068800.db2.gz DUSPHPCGRZPKQC-LJQANCHMSA-N 0 0 336.391 3.816 50 5 EHBARN COC(=O)Nc1ccc(SCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001811992 564088709 /nfs/dbraw/zinc/08/87/09/564088709.db2.gz VUSHRTPMEIBENK-UHFFFAOYSA-N 0 0 346.364 3.748 50 5 EHBARN COC(=O)c1ccc(CSc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000006605302 564093066 /nfs/dbraw/zinc/09/30/66/564093066.db2.gz MXWLMYKSFHEWKE-UHFFFAOYSA-N 0 0 327.745 3.920 50 5 EHBARN CC(C)N(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000064906938 564097595 /nfs/dbraw/zinc/09/75/95/564097595.db2.gz AKLMILKRPYYQFM-UHFFFAOYSA-N 0 0 331.397 3.731 50 5 EHBARN Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)ccc1[N+](=O)[O-] ZINC000006969742 564102449 /nfs/dbraw/zinc/10/24/49/564102449.db2.gz UNAXXAIHSRYAKD-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000006977711 564102624 /nfs/dbraw/zinc/10/26/24/564102624.db2.gz XIHCGLJUOIRZSJ-GOSISDBHSA-N 0 0 333.347 3.509 50 5 EHBARN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc2ncccc21 ZINC000089844815 564114256 /nfs/dbraw/zinc/11/42/56/564114256.db2.gz FNLKYZYUKGQQFQ-UHFFFAOYSA-N 0 0 335.363 3.739 50 5 EHBARN Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000002132572 564118817 /nfs/dbraw/zinc/11/88/17/564118817.db2.gz DMYLQHAEXGJOSF-UHFFFAOYSA-N 0 0 329.312 3.681 50 5 EHBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCCCCC2)CC1 ZINC000007912471 564125111 /nfs/dbraw/zinc/12/51/11/564125111.db2.gz DVDAQYTTXPEANU-UHFFFAOYSA-N 0 0 345.443 3.847 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc3ccccc3[nH]2)c(F)c1 ZINC000079097797 564134653 /nfs/dbraw/zinc/13/46/53/564134653.db2.gz NGNCODUEUQSIAF-INIZCTEOSA-N 0 0 326.331 3.952 50 5 EHBARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000012137662 564135126 /nfs/dbraw/zinc/13/51/26/564135126.db2.gz MURURWRZBSUGQC-INIZCTEOSA-N 0 0 344.367 3.708 50 5 EHBARN Nc1ccc(CNc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000096004733 564144505 /nfs/dbraw/zinc/14/45/05/564144505.db2.gz LWKBPQYBCORXJF-UHFFFAOYSA-N 0 0 340.152 3.691 50 5 EHBARN CN(Cc1ccco1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000096009429 564144646 /nfs/dbraw/zinc/14/46/46/564144646.db2.gz GYGSXZBSNSCTIV-UHFFFAOYSA-N 0 0 340.788 3.592 50 5 EHBARN COc1cc([C@@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1F ZINC000225562784 564149739 /nfs/dbraw/zinc/14/97/39/564149739.db2.gz DIOVPHDQOWHABL-LLVKDONJSA-N 0 0 332.331 3.542 50 5 EHBARN CCSc1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000055703718 564150687 /nfs/dbraw/zinc/15/06/87/564150687.db2.gz DZZHHMZFYQPORB-UHFFFAOYSA-N 0 0 332.381 3.724 50 5 EHBARN Cc1c([N+](=O)[O-])c(C(=O)N(C2CCCCC2)C2CCCCC2)nn1C ZINC000002777870 564152571 /nfs/dbraw/zinc/15/25/71/564152571.db2.gz MIFVIGQQRYOZST-UHFFFAOYSA-N 0 0 348.447 3.744 50 5 EHBARN O=[N+]([O-])c1cc2snc(OCc3ccccc3)c2c([N+](=O)[O-])c1 ZINC000003664964 564159324 /nfs/dbraw/zinc/15/93/24/564159324.db2.gz BAEFCAFOBAAYQA-UHFFFAOYSA-N 0 0 331.309 3.692 50 5 EHBARN Cc1ccc(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])c(C)c1 ZINC000004116734 564160628 /nfs/dbraw/zinc/16/06/28/564160628.db2.gz GJVZDYSRGUWVQA-UHFFFAOYSA-N 0 0 327.344 3.557 50 5 EHBARN Cc1[nH]c2ccccc2c1C(=O)CSc1ncccc1[N+](=O)[O-] ZINC000067648492 564166255 /nfs/dbraw/zinc/16/62/55/564166255.db2.gz ZQOYWQKSEGFTJG-UHFFFAOYSA-N 0 0 327.365 3.755 50 5 EHBARN O=C(NCc1cccnc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000008672302 564166274 /nfs/dbraw/zinc/16/62/74/564166274.db2.gz DVUUBTYOROJLIY-UHFFFAOYSA-N 0 0 347.783 3.788 50 5 EHBARN C[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000245227227 564168735 /nfs/dbraw/zinc/16/87/35/564168735.db2.gz HBLSRPRAUIYMFC-BFQNTYOBSA-N 0 0 347.371 3.686 50 5 EHBARN O=c1nc(-c2ccc([N+](=O)[O-])s2)[nH]c2sc3c(c21)CCCC3 ZINC000009235770 564171745 /nfs/dbraw/zinc/17/17/45/564171745.db2.gz OPPMEVGUIRUOEZ-UHFFFAOYSA-N 0 0 333.394 3.500 50 5 EHBARN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000009364385 564172951 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O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000013008158 201882270 /nfs/dbraw/zinc/88/22/70/201882270.db2.gz AIKIXZJXSPBXLD-MRXNPFEDSA-N 0 0 336.347 3.902 50 5 EHBARN CCc1noc(-c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000020897985 202057371 /nfs/dbraw/zinc/05/73/71/202057371.db2.gz GEAQRDBHRKCDEX-UHFFFAOYSA-N 0 0 338.367 3.844 50 5 EHBARN Cc1nccc(-c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000031802968 202209416 /nfs/dbraw/zinc/20/94/16/202209416.db2.gz FEKCYHPUXLYUSD-UHFFFAOYSA-N 0 0 348.362 3.921 50 5 EHBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000032779341 202234913 /nfs/dbraw/zinc/23/49/13/202234913.db2.gz MKMKVTRFACGXFW-NSHDSACASA-N 0 0 326.356 3.511 50 5 EHBARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000032970399 202245012 /nfs/dbraw/zinc/24/50/12/202245012.db2.gz CROVFXHGWAOFRB-BLLLJJGKSA-N 0 0 328.368 3.512 50 5 EHBARN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc(C(C)(C)C)nc2)c1 ZINC000058228795 202746249 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RELGDZNQLYOOKE-UHFFFAOYSA-N 0 0 331.378 3.575 50 5 EHBARN Cc1ccc(F)cc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000012555107 201854616 /nfs/dbraw/zinc/85/46/16/201854616.db2.gz YTDPFDQYEYOTFO-UHFFFAOYSA-N 0 0 331.347 3.873 50 5 EHBARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000012788232 201868176 /nfs/dbraw/zinc/86/81/76/201868176.db2.gz SHCGLZQARJOXPG-NWDGAFQWSA-N 0 0 330.306 3.754 50 5 EHBARN O=[N+]([O-])c1cc(-c2nc(-c3ccco3)no2)ccc1N1CCCC1 ZINC000020898091 202056889 /nfs/dbraw/zinc/05/68/89/202056889.db2.gz OKFIYRQHPULVJN-UHFFFAOYSA-N 0 0 326.312 3.505 50 5 EHBARN O=C(COc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000024840751 202121225 /nfs/dbraw/zinc/12/12/25/202121225.db2.gz PKWCNXOVZWCTOU-UHFFFAOYSA-N 0 0 342.685 3.544 50 5 EHBARN COc1cccc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000040098677 202168678 /nfs/dbraw/zinc/16/86/78/202168678.db2.gz YEGIUBVFPQLMQC-UHFFFAOYSA-N 0 0 335.747 3.579 50 5 EHBARN O=[N+]([O-])c1cccc(OCCN(Cc2ccco2)Cc2ccco2)c1 ZINC000040105723 202168961 /nfs/dbraw/zinc/16/89/61/202168961.db2.gz KGNWKSPFOMAWAU-UHFFFAOYSA-N 0 0 342.351 3.862 50 5 EHBARN O=[N+]([O-])c1cccnc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC000030678900 202198334 /nfs/dbraw/zinc/19/83/34/202198334.db2.gz XBPYXWUDDMFCFS-ZDUSSCGKSA-N 0 0 326.381 3.941 50 5 EHBARN CC1CCC(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000032777352 202234815 /nfs/dbraw/zinc/23/48/15/202234815.db2.gz GKWROTCCBCODRP-UHFFFAOYSA-N 0 0 349.412 3.523 50 5 EHBARN O=C(COc1cccc([N+](=O)[O-])c1)N1CCCSc2ccccc21 ZINC000032816192 202236595 /nfs/dbraw/zinc/23/65/95/202236595.db2.gz TYDRDUZLVDEFCR-UHFFFAOYSA-N 0 0 344.392 3.503 50 5 EHBARN COc1ccc(C(Cc2cn(C(C)=O)c3ccccc23)[N+](=O)[O-])cc1 ZINC000036640166 202327791 /nfs/dbraw/zinc/32/77/91/202327791.db2.gz IUAIAMVDBYYRFY-IBGZPJMESA-N 0 0 338.363 3.871 50 5 EHBARN O=[N+]([O-])c1ccc(Oc2ccc(I)cc2)cc1 ZINC000039203124 202411335 /nfs/dbraw/zinc/41/13/35/202411335.db2.gz HVIBZWDKOFXLDD-UHFFFAOYSA-N 0 0 341.104 3.992 50 5 EHBARN CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000613490 201490011 /nfs/dbraw/zinc/49/00/11/201490011.db2.gz GBIKZSKZMDIUPH-CQSZACIVSA-N 0 0 329.381 3.744 50 5 EHBARN CCCOC(=O)COc1ccc2c3ccccc3c(=O)oc2c1C ZINC000002980394 201553959 /nfs/dbraw/zinc/55/39/59/201553959.db2.gz DCPOMJKUQINBQH-UHFFFAOYSA-N 0 0 326.348 3.587 50 5 EHBARN CNc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1[N+](=O)[O-] ZINC000006216094 201676463 /nfs/dbraw/zinc/67/64/63/201676463.db2.gz OIQCZLULXWPEOG-UHFFFAOYSA-N 0 0 342.380 3.807 50 5 EHBARN Cc1nc([N+](=O)[O-])c(N(C)Cc2ccc(-c3ccccc3)cc2)n1C ZINC000065227319 202829995 /nfs/dbraw/zinc/82/99/95/202829995.db2.gz VSBXYCQTLBCYRU-UHFFFAOYSA-N 0 0 336.395 3.940 50 5 EHBARN COc1cc(C=O)c(Oc2cc(C)c([N+](=O)[O-])cc2OC)cc1OC ZINC000003125007 202950290 /nfs/dbraw/zinc/95/02/90/202950290.db2.gz KUWMRKLHESUOLS-UHFFFAOYSA-N 0 0 347.323 3.534 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(F)c1 ZINC000079097804 203440101 /nfs/dbraw/zinc/44/01/01/203440101.db2.gz NGNCODUEUQSIAF-MRXNPFEDSA-N 0 0 326.331 3.952 50 5 EHBARN O=C(CCCc1c[nH]c2ccccc12)NCc1ccc([N+](=O)[O-])cc1 ZINC000048038959 204340555 /nfs/dbraw/zinc/34/05/55/204340555.db2.gz PQMFDVAZSFFFBB-UHFFFAOYSA-N 0 0 337.379 3.715 50 5 EHBARN NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000008149334 205844969 /nfs/dbraw/zinc/84/49/69/205844969.db2.gz HPKJASCHGNPPRY-UHFFFAOYSA-N 0 0 327.123 3.793 50 5 EHBARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001027544 206265509 /nfs/dbraw/zinc/26/55/09/206265509.db2.gz OERCDGAJPCXUPL-UHFFFAOYSA-N 0 0 333.347 3.833 50 5 EHBARN Cc1ncc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(Cl)c1Cl ZINC000095460479 218402352 /nfs/dbraw/zinc/40/23/52/218402352.db2.gz LZUUIMLDDHJCJY-UHFFFAOYSA-N 0 0 340.166 3.535 50 5 EHBARN Cc1c(CC(=O)Nc2cccc(-c3ncco3)c2)cccc1[N+](=O)[O-] ZINC000155044802 257956273 /nfs/dbraw/zinc/95/62/73/257956273.db2.gz OHHOMZDYCLISLB-UHFFFAOYSA-N 0 0 337.335 3.739 50 5 EHBARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004660689 135665260 /nfs/dbraw/zinc/66/52/60/135665260.db2.gz MEFFEMPVOVKYLL-GOEBONIOSA-N 0 0 345.443 3.894 50 5 EHBARN COc1ccc(Cl)cc1NCCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000025539930 524243231 /nfs/dbraw/zinc/24/32/31/524243231.db2.gz WTRZZEPPQLFWEK-UHFFFAOYSA-N 0 0 334.759 3.942 50 5 EHBARN O[C@@]1(C(F)(F)F)CC(c2c3ccccc3cc3ccccc32)=NN1 ZINC000000114903 563231451 /nfs/dbraw/zinc/23/14/51/563231451.db2.gz TXMPFSPKFQEZCI-QGZVFWFLSA-N 0 0 330.309 3.941 50 5 EHBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2O)c2ncccc12 ZINC000004428016 563700404 /nfs/dbraw/zinc/70/04/04/563700404.db2.gz SPPVJPWIYFULQG-UHFFFAOYSA-N 0 0 326.268 3.500 50 5 EHBARN CSc1ccccc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C ZINC000004593343 563925061 /nfs/dbraw/zinc/92/50/61/563925061.db2.gz LGEJCQDNVVZDLO-UHFFFAOYSA-N 0 0 348.428 3.549 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000004652370 563963410 /nfs/dbraw/zinc/96/34/10/563963410.db2.gz OATVMUMREJTDPU-UHFFFAOYSA-N 0 0 346.211 3.851 50 5 EHBARN Cc1csc(N(CC(F)(F)F)C(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000060543482 563964874 /nfs/dbraw/zinc/96/48/74/563964874.db2.gz WLRVMSVHVLDBKU-UHFFFAOYSA-N 0 0 345.302 3.569 50 5 EHBARN COc1ccc(CSc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-] ZINC000000062402 563971267 /nfs/dbraw/zinc/97/12/67/563971267.db2.gz AYQOFUVCONRHIM-UHFFFAOYSA-N 0 0 333.325 3.539 50 5 EHBARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000000070716 563973740 /nfs/dbraw/zinc/97/37/40/563973740.db2.gz VTRDZEXWTGNKHR-NTEUORMPSA-N 0 0 328.711 3.593 50 5 EHBARN O=C(Nc1ncc([N+](=O)[O-])s1)Nc1cccc(C(F)(F)F)c1 ZINC000004863616 563992150 /nfs/dbraw/zinc/99/21/50/563992150.db2.gz HCDMBAXNRSPNJA-UHFFFAOYSA-N 0 0 332.263 3.714 50 5 EHBARN O=[N+]([O-])c1cc(F)ccc1NC(=S)NCc1ccc(Cl)cc1 ZINC000005041245 563994027 /nfs/dbraw/zinc/99/40/27/563994027.db2.gz ZHUBFJJECFPMCJ-UHFFFAOYSA-N 0 0 339.779 3.874 50 5 EHBARN O=C(Nc1ccc(F)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000013141418 563997534 /nfs/dbraw/zinc/99/75/34/563997534.db2.gz KECUJLBOKCQCJD-UHFFFAOYSA-N 0 0 333.294 3.700 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)c2cccc3cccc(c32)C1=O ZINC000000449053 563999579 /nfs/dbraw/zinc/99/95/79/563999579.db2.gz NYTVXXBYGSGLAO-UHFFFAOYSA-N 0 0 348.314 3.557 50 5 EHBARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000451104 563999814 /nfs/dbraw/zinc/99/98/14/563999814.db2.gz BOXATXVYNXMJMT-UHFFFAOYSA-N 0 0 338.722 3.713 50 5 EHBARN Cc1cc(C(=O)Nc2ccccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000000466359 564000838 /nfs/dbraw/zinc/00/08/38/564000838.db2.gz GBPUBVJHAUVMRY-UHFFFAOYSA-N 0 0 325.368 3.756 50 5 EHBARN O=C(Nc1ncccc1Cl)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000179950732 564006881 /nfs/dbraw/zinc/00/68/81/564006881.db2.gz UHGARJFHMHIKBP-UHFFFAOYSA-N 0 0 345.664 3.914 50 5 EHBARN O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000005656704 564007065 /nfs/dbraw/zinc/00/70/65/564007065.db2.gz PCWPCFMDLRGLSB-UHFFFAOYSA-N 0 0 339.273 3.664 50 5 EHBARN O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000580900 564024755 /nfs/dbraw/zinc/02/47/55/564024755.db2.gz JYSSODHJJJYCEV-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN O=[N+]([O-])c1c(NCc2ccccc2N2CCCC2)nc2sccn21 ZINC000049979857 564032910 /nfs/dbraw/zinc/03/29/10/564032910.db2.gz KNEQSZKLTVJBHD-UHFFFAOYSA-N 0 0 343.412 3.516 50 5 EHBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1cccc2ccccc21 ZINC000008389696 564035574 /nfs/dbraw/zinc/03/55/74/564035574.db2.gz JKXNVMALQBSSTP-UHFFFAOYSA-N 0 0 331.331 3.506 50 5 EHBARN O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005889575 564056788 /nfs/dbraw/zinc/05/67/88/564056788.db2.gz VVKILLNCCZZHSP-UHFFFAOYSA-N 0 0 325.368 3.837 50 5 EHBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl ZINC000003885247 564057772 /nfs/dbraw/zinc/05/77/72/564057772.db2.gz YLMLWSBCUSFAHZ-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN Cc1ccc(F)c(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c1 ZINC000012555663 564059336 /nfs/dbraw/zinc/05/93/36/564059336.db2.gz FSNULOUQHPWZHN-UHFFFAOYSA-N 0 0 331.347 3.873 50 5 EHBARN CC(C)COC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000004056232 564061670 /nfs/dbraw/zinc/06/16/70/564061670.db2.gz YUSDQCZGVSKCLA-ZDUSSCGKSA-N 0 0 340.375 3.913 50 5 EHBARN COC(=O)Nc1cc2c(nc1C(F)(F)F)oc1ccccc1c2=O ZINC000001395585 564064880 /nfs/dbraw/zinc/06/48/80/564064880.db2.gz DEPTVEGYWMLRSI-UHFFFAOYSA-N 0 0 338.241 3.538 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(F)c1 ZINC000084583291 564068805 /nfs/dbraw/zinc/06/88/05/564068805.db2.gz FBAJYGCTRDWLRJ-LBPRGKRZSA-N 0 0 340.358 3.994 50 5 EHBARN C[C@@H]1c2ccsc2CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000012825205 564075049 /nfs/dbraw/zinc/07/50/49/564075049.db2.gz HZONIQBEVMEKEQ-GFCCVEGCSA-N 0 0 345.424 3.604 50 5 EHBARN Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000088464531 564079409 /nfs/dbraw/zinc/07/94/09/564079409.db2.gz ICZWHUJTUQZGLA-UHFFFAOYSA-N 0 0 328.368 3.913 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000122647665 564085019 /nfs/dbraw/zinc/08/50/19/564085019.db2.gz WSPINTCBHZJESC-UHFFFAOYSA-N 0 0 341.298 3.569 50 5 EHBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000006560088 564092070 /nfs/dbraw/zinc/09/20/70/564092070.db2.gz PHEHNZZPTVPWOO-UHFFFAOYSA-N 0 0 338.722 3.713 50 5 EHBARN COc1ccc(NC(=O)CNc2cc(Cl)ccc2C)c([N+](=O)[O-])c1 ZINC000006598767 564092587 /nfs/dbraw/zinc/09/25/87/564092587.db2.gz IXSNWMKAFSJYPL-UHFFFAOYSA-N 0 0 349.774 3.616 50 5 EHBARN Cn1c2ccccc2nc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002057163 564093366 /nfs/dbraw/zinc/09/33/66/564093366.db2.gz JLPGIGXEZJRTAK-UHFFFAOYSA-N 0 0 330.325 3.541 50 5 EHBARN CCc1ccccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000006623588 564094554 /nfs/dbraw/zinc/09/45/54/564094554.db2.gz MHJCJMNSUMFTHW-UHFFFAOYSA-N 0 0 325.368 3.984 50 5 EHBARN COc1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000007270122 564106197 /nfs/dbraw/zinc/10/61/97/564106197.db2.gz JYXSTHDIPJVKSH-UHFFFAOYSA-N 0 0 337.173 3.978 50 5 EHBARN O=C(c1ccccc1)c1ccc(N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000065491675 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CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000007949601 564135504 /nfs/dbraw/zinc/13/55/04/564135504.db2.gz AWIKSYGAEJFOJU-SNVBAGLBSA-N 0 0 332.381 3.692 50 5 EHBARN CC(=O)N1N=C(c2c(C)coc2C)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000079112431 564137977 /nfs/dbraw/zinc/13/79/77/564137977.db2.gz PUJKMJGMLILPGS-INIZCTEOSA-N 0 0 327.340 3.502 50 5 EHBARN CNc1ccc(CNc2cccc(-c3nnc(C)o3)c2)cc1[N+](=O)[O-] ZINC000095429198 564140307 /nfs/dbraw/zinc/14/03/07/564140307.db2.gz PLCTTZKZMAKMKH-UHFFFAOYSA-N 0 0 339.355 3.607 50 5 EHBARN O=C(c1cccc2ncccc21)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000095436685 564140445 /nfs/dbraw/zinc/14/04/45/564140445.db2.gz IPBCJLFQQXITST-UHFFFAOYSA-N 0 0 333.347 3.736 50 5 EHBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])s2)N3)C1 ZINC000002489331 564149802 /nfs/dbraw/zinc/14/98/02/564149802.db2.gz ROPXMBNDHPMQDE-FUXBKTLASA-N 0 0 349.437 3.697 50 5 EHBARN Cc1ccc2[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000002769932 564152481 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C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccsc1 ZINC000052803215 564061454 /nfs/dbraw/zinc/06/14/54/564061454.db2.gz UGWVAISODHQJIW-MLGOLLRUSA-N 0 0 345.424 3.820 50 5 EHBARN Cc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1[N+](=O)[O-] ZINC000012755409 564067197 /nfs/dbraw/zinc/06/71/97/564067197.db2.gz YTQKVRALPMRFCF-UHFFFAOYSA-N 0 0 331.397 3.881 50 5 EHBARN CCN(CC)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000016598605 564090583 /nfs/dbraw/zinc/09/05/83/564090583.db2.gz WDIQDXRJNYFYFC-UHFFFAOYSA-N 0 0 327.384 3.622 50 5 EHBARN CCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006561103 564092133 /nfs/dbraw/zinc/09/21/33/564092133.db2.gz MBINWWVHQMFHRU-GFCCVEGCSA-N 0 0 342.351 3.594 50 5 EHBARN O=[N+]([O-])c1c(N[C@@H]2CCCOc3ccc(F)cc32)nc2ccccn21 ZINC000064916438 564097661 /nfs/dbraw/zinc/09/76/61/564097661.db2.gz JMAZGWMGRNCFNQ-CYBMUJFWSA-N 0 0 342.330 3.707 50 5 EHBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nccc2ccccc21 ZINC000065474659 564106210 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Cc1[nH]c2ccccc2c1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000003269146 564156712 /nfs/dbraw/zinc/15/67/12/564156712.db2.gz PYDYLKOUXRDILM-YVLHZVERSA-N 0 0 347.330 3.729 50 5 EHBARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003569859 564158970 /nfs/dbraw/zinc/15/89/70/564158970.db2.gz WBQBEFLSVUGNTL-UHFFFAOYSA-N 0 0 342.248 3.934 50 5 EHBARN Cc1c(NC(=O)c2cnc(-c3ccccc3)nc2)cccc1[N+](=O)[O-] ZINC000058425117 564159108 /nfs/dbraw/zinc/15/91/08/564159108.db2.gz TTYJLWFVHARZBK-UHFFFAOYSA-N 0 0 334.335 3.613 50 5 EHBARN CC(C)(C)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003958587 564159776 /nfs/dbraw/zinc/15/97/76/564159776.db2.gz CCOWHEKJUXSQRW-UHFFFAOYSA-N 0 0 328.368 3.910 50 5 EHBARN COc1ccc(Cn2c(C)nc3c2cc(C)c(C)c3[N+](=O)[O-])cc1 ZINC000004052662 564160210 /nfs/dbraw/zinc/16/02/10/564160210.db2.gz BUUOSKGDHHHKLK-UHFFFAOYSA-N 0 0 325.368 3.927 50 5 EHBARN COc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000004264301 564161363 /nfs/dbraw/zinc/16/13/63/564161363.db2.gz XBJXIFGYGKBUCZ-UHFFFAOYSA-N 0 0 349.393 3.835 50 5 EHBARN Cc1c(CSc2nc3sccc3c(N)n2)cccc1[N+](=O)[O-] ZINC000058377839 214566534 /nfs/dbraw/zinc/56/65/34/214566534.db2.gz RSDWZFSXAACFRY-UHFFFAOYSA-N 0 0 332.410 3.782 50 5 EHBARN CCc1ncc(CN(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000067461275 215149385 /nfs/dbraw/zinc/14/93/85/215149385.db2.gz QFCMPDYHMLKHFT-NSHDSACASA-N 0 0 348.428 3.516 50 5 EHBARN CN(C(=O)c1scnc1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000183884493 235252581 /nfs/dbraw/zinc/25/25/81/235252581.db2.gz WUNRCFBAIICSDL-UHFFFAOYSA-N 0 0 331.397 3.986 50 5 EHBARN Cc1c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cccc1[N+](=O)[O-] ZINC000025135044 202127091 /nfs/dbraw/zinc/12/70/91/202127091.db2.gz XBGYBOTURPTGLD-UHFFFAOYSA-N 0 0 339.351 3.504 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000040082772 202168196 /nfs/dbraw/zinc/16/81/96/202168196.db2.gz NXBDYJUIIBYCGO-UHFFFAOYSA-N 0 0 342.742 3.891 50 5 EHBARN Cc1ccc(NC(=O)NCc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000040095611 202168551 /nfs/dbraw/zinc/16/85/51/202168551.db2.gz JIQFFKCQCQVLSE-UHFFFAOYSA-N 0 0 342.380 3.835 50 5 EHBARN Cc1nc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc1C ZINC000029581819 202189594 /nfs/dbraw/zinc/18/95/94/202189594.db2.gz LAFPLSZQCOZHGX-UHFFFAOYSA-N 0 0 346.412 3.521 50 5 EHBARN O=[N+]([O-])c1cccc(OCc2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000031676943 202208788 /nfs/dbraw/zinc/20/87/88/202208788.db2.gz VUXTUVWSQKBKIN-UHFFFAOYSA-N 0 0 331.715 3.877 50 5 EHBARN Cc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC000024830624 212442439 /nfs/dbraw/zinc/44/24/39/212442439.db2.gz ZDUPYEOVZUTVBK-JTQLQIEISA-N 0 0 336.294 3.587 50 5 EHBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cccs1 ZINC000000178449 201444342 /nfs/dbraw/zinc/44/43/42/201444342.db2.gz BDDMBDVSYYMDQQ-GHXNOFRVSA-N 0 0 334.740 3.654 50 5 EHBARN C[C@@H](C(=O)Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000001108228 201498396 /nfs/dbraw/zinc/49/83/96/201498396.db2.gz QBQBVHKIMGQJFM-SNVBAGLBSA-N 0 0 327.365 3.947 50 5 EHBARN COc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000471248 201477868 /nfs/dbraw/zinc/47/78/68/201477868.db2.gz ZVYDVGZRVKDXFK-SNVBAGLBSA-N 0 0 334.759 3.999 50 5 EHBARN COc1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000002660311 201539181 /nfs/dbraw/zinc/53/91/81/201539181.db2.gz XBQQXNZOSULEQQ-UHFFFAOYSA-N 0 0 339.706 3.753 50 5 EHBARN CCc1c(C)sc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c12 ZINC000002808984 201546890 /nfs/dbraw/zinc/54/68/90/201546890.db2.gz RQMASGFDUFSHGW-UHFFFAOYSA-N 0 0 339.380 3.785 50 5 EHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl ZINC000003317787 201565503 /nfs/dbraw/zinc/56/55/03/201565503.db2.gz UXSFGUZQPHMJML-UHFFFAOYSA-N 0 0 327.670 3.883 50 5 EHBARN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(c1cc(C)ccc1C)C(C)C ZINC000069770528 203045756 /nfs/dbraw/zinc/04/57/56/203045756.db2.gz WSFASFWJKXFJFC-UHFFFAOYSA-N 0 0 344.415 3.548 50 5 EHBARN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000071883110 203136131 /nfs/dbraw/zinc/13/61/31/203136131.db2.gz FTPOXJZHOPVSNX-SECBINFHSA-N 0 0 337.376 3.640 50 5 EHBARN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nc(C(F)(F)F)cs1 ZINC000073278222 203262966 /nfs/dbraw/zinc/26/29/66/203262966.db2.gz JYEHVUJLPRZYOR-LURJTMIESA-N 0 0 349.290 3.544 50 5 EHBARN Cc1nn([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)c(C)c1[N+](=O)[O-] ZINC000075147250 203307790 /nfs/dbraw/zinc/30/77/90/203307790.db2.gz WIKBAPIREYLAIN-SNVBAGLBSA-N 0 0 347.762 3.721 50 5 EHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ncoc1-c1ccccc1 ZINC000075108904 203301561 /nfs/dbraw/zinc/30/15/61/203301561.db2.gz UTRXRUUGOPZRDD-ZHACJKMWSA-N 0 0 349.346 3.579 50 5 EHBARN COc1ccccc1C(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000097212294 203933521 /nfs/dbraw/zinc/93/35/21/203933521.db2.gz ZEDREZXAEHLVMF-UHFFFAOYSA-N 0 0 329.356 3.660 50 5 EHBARN CC(=O)N1N=C(c2c(C)coc2C)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008774999 205866317 /nfs/dbraw/zinc/86/63/17/205866317.db2.gz YWKKCNFWHSDUGO-MRXNPFEDSA-N 0 0 327.340 3.502 50 5 EHBARN C[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000461420 206241524 /nfs/dbraw/zinc/24/15/24/206241524.db2.gz YNNILCSFDKPGIX-GFCCVEGCSA-N 0 0 332.787 3.999 50 5 EHBARN O=C(NCc1ccon1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000095449718 218394134 /nfs/dbraw/zinc/39/41/34/218394134.db2.gz XNLWMRVKTOAWFT-UHFFFAOYSA-N 0 0 347.396 3.548 50 5 EHBARN COc1ccc(Cl)cc1NC(=O)n1cnc2ccc([N+](=O)[O-])cc21 ZINC000004795427 210280205 /nfs/dbraw/zinc/28/02/05/210280205.db2.gz WZKQOMCFAFLIKT-UHFFFAOYSA-N 0 0 346.730 3.687 50 5 EHBARN Cc1cc(NC(=O)N2CCC(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000328588389 258045231 /nfs/dbraw/zinc/04/52/31/258045231.db2.gz DPIZKBRHYNUDCC-UHFFFAOYSA-N 0 0 346.412 3.771 50 5 EHBARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000004804370 135666885 /nfs/dbraw/zinc/66/68/85/135666885.db2.gz FDOZRIJNVPPKQY-GFCCVEGCSA-N 0 0 328.343 3.644 50 5 EHBARN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000032905785 563795127 /nfs/dbraw/zinc/79/51/27/563795127.db2.gz PEFKIMWZCZKKBZ-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccccc1F ZINC000004590055 563811760 /nfs/dbraw/zinc/81/17/60/563811760.db2.gz NHSCLNKEDLYHMU-RPKXPYLJSA-N 0 0 338.294 3.744 50 5 EHBARN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000096469345 563954467 /nfs/dbraw/zinc/95/44/67/563954467.db2.gz HAAQAIYGTHQKQU-ABAIWWIYSA-N 0 0 347.396 3.650 50 5 EHBARN Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000004699800 563964481 /nfs/dbraw/zinc/96/44/81/563964481.db2.gz GKMKCEBPQOMAMS-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN CCCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000047676 563968625 /nfs/dbraw/zinc/96/86/25/563968625.db2.gz SKESRUHKBLFFAU-UHFFFAOYSA-N 0 0 328.368 3.873 50 5 EHBARN Cc1ncc(/C=C\C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000098009982 563971120 /nfs/dbraw/zinc/97/11/20/563971120.db2.gz WHOITSGOSMYVEE-SKVAFPRGSA-N 0 0 331.397 3.593 50 5 EHBARN O=C1Nc2ccc(Br)cc2[C@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000004843204 563984343 /nfs/dbraw/zinc/98/43/43/563984343.db2.gz WZGHEUSFJZLQIM-CYBMUJFWSA-N 0 0 347.168 3.636 50 5 EHBARN COc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)cc1 ZINC000000138763 563986917 /nfs/dbraw/zinc/98/69/17/563986917.db2.gz ZIKQHGFYRPNJBE-UHFFFAOYSA-N 0 0 348.314 3.557 50 5 EHBARN COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OC ZINC000000184137 563987884 /nfs/dbraw/zinc/98/78/84/563987884.db2.gz LEEFDBUYZXURGL-UHFFFAOYSA-N 0 0 344.367 3.790 50 5 EHBARN O=C(Cc1cccc2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000243207 563989115 /nfs/dbraw/zinc/98/91/15/563989115.db2.gz FZINIVRBOMKECK-UHFFFAOYSA-N 0 0 349.342 3.717 50 5 EHBARN O=C(c1ccc(SCc2ccncc2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000000257381 563989589 /nfs/dbraw/zinc/98/95/89/563989589.db2.gz RTNUMRYRSGGKGT-UHFFFAOYSA-N 0 0 343.408 3.518 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C/c1cccc(F)c1 ZINC000000296581 563990441 /nfs/dbraw/zinc/99/04/41/563990441.db2.gz KLTKKWBUIBXNGW-VGOFMYFVSA-N 0 0 346.701 3.732 50 5 EHBARN CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000000303446 563990799 /nfs/dbraw/zinc/99/07/99/563990799.db2.gz OIZNFKHDSVVNOU-UHFFFAOYSA-N 0 0 326.381 3.955 50 5 EHBARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000354419 563991597 /nfs/dbraw/zinc/99/15/97/563991597.db2.gz QAAFKCPIFSTHAO-KRWDZBQOSA-N 0 0 343.770 3.946 50 5 EHBARN CC[C@H](C)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005000160 563993673 /nfs/dbraw/zinc/99/36/73/563993673.db2.gz SMIBEIRLVGHCOM-LBPRGKRZSA-N 0 0 334.397 3.909 50 5 EHBARN CCSc1ccccc1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000005041595 563994018 /nfs/dbraw/zinc/99/40/18/563994018.db2.gz TXXPLMJRBMTDQW-UHFFFAOYSA-N 0 0 332.381 3.968 50 5 EHBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(C)cc(C(F)(F)F)c12 ZINC000005078278 563994166 /nfs/dbraw/zinc/99/41/66/563994166.db2.gz GAYWYMUWPSSSRZ-UHFFFAOYSA-N 0 0 336.273 3.964 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc(Cl)c1 ZINC000000430106 563999351 /nfs/dbraw/zinc/99/93/51/563999351.db2.gz MOLSEHLOGQHAGL-ZROIWOOFSA-N 0 0 328.711 3.593 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccc(Cl)c1 ZINC000000430105 563999352 /nfs/dbraw/zinc/99/93/52/563999352.db2.gz MOLSEHLOGQHAGL-NTEUORMPSA-N 0 0 328.711 3.593 50 5 EHBARN Cc1cc2ncn(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2cc1C ZINC000000449816 563999575 /nfs/dbraw/zinc/99/95/75/563999575.db2.gz NHJPRNKQBDGRID-UHFFFAOYSA-N 0 0 329.743 3.903 50 5 EHBARN CCc1nc2oc3cc(OC)ccc3c(=O)c2c2nc3ccccc3n21 ZINC000005208625 564000609 /nfs/dbraw/zinc/00/06/09/564000609.db2.gz KCSSCRCBBWRMEW-UHFFFAOYSA-N 0 0 345.358 3.713 50 5 EHBARN Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 ZINC000000469674 564000809 /nfs/dbraw/zinc/00/08/09/564000809.db2.gz KFTDFVRIWMYECN-UHFFFAOYSA-N 0 0 344.371 3.915 50 5 EHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1 ZINC000005338380 564002766 /nfs/dbraw/zinc/00/27/66/564002766.db2.gz VDJWXHUDCATMJN-UHFFFAOYSA-N 0 0 328.371 3.793 50 5 EHBARN O=C1Nc2ccccc2/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005354484 564002887 /nfs/dbraw/zinc/00/28/87/564002887.db2.gz HHHDOBKJRIYDNT-VBKFSLOCSA-N 0 0 335.363 3.688 50 5 EHBARN O=C(Nc1ccc(Cl)cc1Cl)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000005642281 564006883 /nfs/dbraw/zinc/00/68/83/564006883.db2.gz YFYDGIREOMGXBW-UHFFFAOYSA-N 0 0 335.534 3.530 50 5 EHBARN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005671087 564017777 /nfs/dbraw/zinc/01/77/77/564017777.db2.gz PHNKUAQJNFYDKX-QPJJXVBHSA-N 0 0 347.714 3.808 50 5 EHBARN Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000000566974 564023247 /nfs/dbraw/zinc/02/32/47/564023247.db2.gz YYCFQQNBDIISTI-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000049764655 564032870 /nfs/dbraw/zinc/03/28/70/564032870.db2.gz NNSIGFPMYLNKIZ-KRWDZBQOSA-N 0 0 339.395 3.676 50 5 EHBARN O=Cc1cn(-c2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000000732217 564033986 /nfs/dbraw/zinc/03/39/86/564033986.db2.gz JDHUDMBLPMXREV-UHFFFAOYSA-N 0 0 327.727 3.913 50 5 EHBARN Cc1cccc(C(=O)OCc2cc3c(c(Cl)c2)OCO3)c1[N+](=O)[O-] ZINC000024892605 564034307 /nfs/dbraw/zinc/03/43/07/564034307.db2.gz BLXKXVCFRFFWDI-UHFFFAOYSA-N 0 0 349.726 3.642 50 5 EHBARN CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000005939876 564057159 /nfs/dbraw/zinc/05/71/59/564057159.db2.gz UVEHOSNUISZMMQ-IBGZPJMESA-N 0 0 337.379 3.843 50 5 EHBARN N=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 ZINC000003899316 564057860 /nfs/dbraw/zinc/05/78/60/564057860.db2.gz UXBYECZJGLSKMF-WUXMJOGZSA-N 0 0 349.755 3.647 50 5 EHBARN CC(=O)c1ccc(N[C@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000012521980 564058111 /nfs/dbraw/zinc/05/81/11/564058111.db2.gz YFOSBBTYFRKULM-SNVBAGLBSA-N 0 0 328.324 3.699 50 5 EHBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000012545821 564058879 /nfs/dbraw/zinc/05/88/79/564058879.db2.gz PIVKHHHNUSZFCH-UHFFFAOYSA-N 0 0 343.383 3.522 50 5 EHBARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012554302 564059273 /nfs/dbraw/zinc/05/92/73/564059273.db2.gz ALAXFCYWOXDQPT-GFCCVEGCSA-N 0 0 325.368 3.523 50 5 EHBARN C[C@H](c1ccco1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000012618963 564060678 /nfs/dbraw/zinc/06/06/78/564060678.db2.gz YWUMXEXYDPVSMD-CYBMUJFWSA-N 0 0 337.335 3.991 50 5 EHBARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])o2)cs1 ZINC000012619063 564060683 /nfs/dbraw/zinc/06/06/83/564060683.db2.gz QTTWKRGEJOIUFE-UHFFFAOYSA-N 0 0 343.364 3.550 50 5 EHBARN CCCCCC[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004557313 564063138 /nfs/dbraw/zinc/06/31/38/564063138.db2.gz ZZIIAVVDXBHZOY-NSHDSACASA-N 0 0 344.389 3.636 50 5 EHBARN CC(C)(C)C[C@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000084169752 564067145 /nfs/dbraw/zinc/06/71/45/564067145.db2.gz HGBSHNRLBKNJNQ-GFCCVEGCSA-N 0 0 330.388 3.512 50 5 EHBARN C[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000016158779 564079896 /nfs/dbraw/zinc/07/98/96/564079896.db2.gz YBVFTSNQPZRHSX-OCAPTIKFSA-N 0 0 338.713 3.881 50 5 EHBARN CCCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001782785 564087576 /nfs/dbraw/zinc/08/75/76/564087576.db2.gz QUOWIDUMJLSPMI-UHFFFAOYSA-N 0 0 342.351 3.804 50 5 EHBARN O=C(COc1ccccc1)Nc1ccc2c(c1)oc1ccccc1c2=O ZINC000006661049 564095570 /nfs/dbraw/zinc/09/55/70/564095570.db2.gz RPTBEKYOBUXUTG-UHFFFAOYSA-N 0 0 345.354 3.964 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(F)cc1F ZINC000017071075 564116326 /nfs/dbraw/zinc/11/63/26/564116326.db2.gz KOTCHSBDEJFRLF-UHFFFAOYSA-N 0 0 339.323 3.691 50 5 EHBARN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C)c2[N+](=O)[O-])C12CCCC2 ZINC000170636836 564117332 /nfs/dbraw/zinc/11/73/32/564117332.db2.gz LFWNSCOSGHLVMI-HZPDHXFCSA-N 0 0 346.427 3.713 50 5 EHBARN C[S@@](=O)Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000195558950 564123826 /nfs/dbraw/zinc/12/38/26/564123826.db2.gz GHZQLZUGWPHERG-JOCHJYFZSA-N 0 0 338.816 3.739 50 5 EHBARN CNc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] ZINC000008024650 564124171 /nfs/dbraw/zinc/12/41/71/564124171.db2.gz DDCZIARXIKLHBC-UHFFFAOYSA-N 0 0 349.774 3.859 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc([C@H]2CCCOC2)cc1 ZINC000253425643 564131127 /nfs/dbraw/zinc/13/11/27/564131127.db2.gz KBTDRVCOIVHTTG-AWEZNQCLSA-N 0 0 344.342 3.880 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc([C@@H]2CCCOC2)cc1 ZINC000253425651 564131128 /nfs/dbraw/zinc/13/11/28/564131128.db2.gz KBTDRVCOIVHTTG-CQSZACIVSA-N 0 0 344.342 3.880 50 5 EHBARN Cc1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000009009230 564134159 /nfs/dbraw/zinc/13/41/59/564134159.db2.gz KRZRIUFVBRFAAZ-UHFFFAOYSA-N 0 0 342.380 3.510 50 5 EHBARN Cc1cccc(C)c1NC(=O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301757581 564134313 /nfs/dbraw/zinc/13/43/13/564134313.db2.gz ADRPSHVUQYWSDH-UHFFFAOYSA-N 0 0 335.310 3.540 50 5 EHBARN O=[N+]([O-])c1ccccc1CSc1nnc(Cc2cccs2)o1 ZINC000066262061 564135675 /nfs/dbraw/zinc/13/56/75/564135675.db2.gz CYZKYPPJKSEVJV-UHFFFAOYSA-N 0 0 333.394 3.922 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCOc2ccccc2C1 ZINC000079506504 564138254 /nfs/dbraw/zinc/13/82/54/564138254.db2.gz AFWKINOQLJWZGL-UHFFFAOYSA-N 0 0 347.758 3.675 50 5 EHBARN O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)C1(Cc2ccccc2)CCC1 ZINC000095965125 564142911 /nfs/dbraw/zinc/14/29/11/564142911.db2.gz AZQMNNOOACMSAL-UHFFFAOYSA-N 0 0 336.391 3.850 50 5 EHBARN CC[C@H](c1ccncc1)N(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000096416820 564147822 /nfs/dbraw/zinc/14/78/22/564147822.db2.gz NRPXTHBSTCGOMR-QGZVFWFLSA-N 0 0 327.384 3.532 50 5 EHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nccn1CC(F)(F)F ZINC000057845160 564156142 /nfs/dbraw/zinc/15/61/42/564156142.db2.gz FQVSORKZAPMBPG-NSHDSACASA-N 0 0 342.321 3.547 50 5 EHBARN O=[N+]([O-])c1ccc(-n2nncc2-c2ccc(Br)cc2)cc1 ZINC000003243474 564156511 /nfs/dbraw/zinc/15/65/11/564156511.db2.gz XFBBCXWARRYPFM-UHFFFAOYSA-N 0 0 345.156 3.605 50 5 EHBARN COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(OC)c1 ZINC000003615232 564159208 /nfs/dbraw/zinc/15/92/08/564159208.db2.gz YIMGULLQKMQJFM-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=[N+]([O-])c1c2nonc2c(N2CCCCC2)cc1Nc1ccccc1 ZINC000004116742 564160616 /nfs/dbraw/zinc/16/06/16/564160616.db2.gz PJHKWALJTNVQIV-UHFFFAOYSA-N 0 0 339.355 3.865 50 5 EHBARN O=C(NCc1ncc(-c2ccccc2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000040123022 564168276 /nfs/dbraw/zinc/16/82/76/564168276.db2.gz AHMBAAXHMFMZPP-UHFFFAOYSA-N 0 0 338.323 3.572 50 5 EHBARN COc1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1O ZINC000051123316 1021187187 /nfs/dbraw/zinc/18/71/87/1021187187.db2.gz ZLBWYYRNYALDBC-IZZDOVSWSA-N 0 0 345.742 3.922 50 5 EHBARN COc1cccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl ZINC000004542733 210218396 /nfs/dbraw/zinc/21/83/96/210218396.db2.gz QANUOYNMLKTFPU-CMDGGOBGSA-N 0 0 332.743 3.909 50 5 EHBARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000012788241 201868326 /nfs/dbraw/zinc/86/83/26/201868326.db2.gz SHCGLZQARJOXPG-VXGBXAGGSA-N 0 0 330.306 3.754 50 5 EHBARN CNc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000017062274 201984034 /nfs/dbraw/zinc/98/40/34/201984034.db2.gz DQBIKPLMORNZIB-UHFFFAOYSA-N 0 0 343.427 3.583 50 5 EHBARN CCc1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1[N+](=O)[O-] ZINC000023112402 202097926 /nfs/dbraw/zinc/09/79/26/202097926.db2.gz RIQUZRJXDJSTOR-UHFFFAOYSA-N 0 0 344.396 3.666 50 5 EHBARN CC(=O)Nc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C ZINC000032754025 202232282 /nfs/dbraw/zinc/23/22/82/202232282.db2.gz ZMKOHXUKDCEBAV-RMKNXTFCSA-N 0 0 339.351 3.514 50 5 EHBARN CCOc1ccc(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc1OC ZINC000032796324 202234434 /nfs/dbraw/zinc/23/44/34/202234434.db2.gz MVTFKLIXQHDORL-UHFFFAOYSA-N 0 0 344.367 3.817 50 5 EHBARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000032837448 202238135 /nfs/dbraw/zinc/23/81/35/202238135.db2.gz CEIQTNGBWSBQOA-WCQYABFASA-N 0 0 329.356 3.975 50 5 EHBARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000069421286 202279903 /nfs/dbraw/zinc/27/99/03/202279903.db2.gz JDBJMCYFICEDQB-NSHDSACASA-N 0 0 332.331 3.576 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N[C@@H](C)c1cccs1 ZINC000037222252 202337837 /nfs/dbraw/zinc/33/78/37/202337837.db2.gz IJBORVNMSYILKW-QWHCGFSZSA-N 0 0 347.440 3.527 50 5 EHBARN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2cncnc2)cc1 ZINC000073250468 202369978 /nfs/dbraw/zinc/36/99/78/202369978.db2.gz CAGFXZUFIFPTMH-CYBMUJFWSA-N 0 0 348.362 3.543 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1Cl)CCC2=O ZINC000191824092 239321149 /nfs/dbraw/zinc/32/11/49/239321149.db2.gz LOOOASRHTPBFIA-UHFFFAOYSA-N 0 0 344.754 3.558 50 5 EHBARN COC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N ZINC000000036892 201425615 /nfs/dbraw/zinc/42/56/15/201425615.db2.gz POZSDOMOSSHYLS-UHFFFAOYSA-N 0 0 340.426 3.926 50 5 EHBARN COc1ccc(Cl)cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000617803 201490719 /nfs/dbraw/zinc/49/07/19/201490719.db2.gz ZGLYDBKPPWBNDX-UHFFFAOYSA-N 0 0 331.715 3.974 50 5 EHBARN CC(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000002753413 201542747 /nfs/dbraw/zinc/54/27/47/201542747.db2.gz KLKFQJTWFZOUMH-UHFFFAOYSA-N 0 0 329.312 3.879 50 5 EHBARN C[C@@H]1CCC[C@@H](NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000006536917 201685107 /nfs/dbraw/zinc/68/51/07/201685107.db2.gz NGYPEHIGJOVDMW-NQBHXWOUSA-N 0 0 340.807 3.568 50 5 EHBARN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066512814 202886932 /nfs/dbraw/zinc/88/69/32/202886932.db2.gz HTIMAEZYOBNRRW-ZDUSSCGKSA-N 0 0 346.408 3.649 50 5 EHBARN Cc1ccc2oc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2n1 ZINC000069374521 202992184 /nfs/dbraw/zinc/99/21/84/202992184.db2.gz KHPDHBWHWSLPLX-LBPRGKRZSA-N 0 0 339.351 3.878 50 5 EHBARN CC(C)c1nnc(Sc2ccc([N+](=O)[O-])c3cnccc23)n1C ZINC000069437334 203000242 /nfs/dbraw/zinc/00/02/42/203000242.db2.gz QEHPWRKFBUKOJT-UHFFFAOYSA-N 0 0 329.385 3.546 50 5 EHBARN Cc1csc(C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000069816174 203054363 /nfs/dbraw/zinc/05/43/63/203054363.db2.gz LMRNGVFLBXIFII-UHFFFAOYSA-N 0 0 345.424 3.688 50 5 EHBARN O=c1cc(CNc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2[nH]1 ZINC000072296170 203196717 /nfs/dbraw/zinc/19/67/17/203196717.db2.gz UVGZCRAFUQROKT-UHFFFAOYSA-N 0 0 329.743 3.702 50 5 EHBARN O=[N+]([O-])c1cn(Cc2ccc(F)c3cccnc23)nc1-c1ccncc1 ZINC000075146431 203307948 /nfs/dbraw/zinc/30/79/48/203307948.db2.gz VUKSZRZZONFUMJ-UHFFFAOYSA-N 0 0 349.325 3.589 50 5 EHBARN CC(C)N(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000040555803 203409372 /nfs/dbraw/zinc/40/93/72/203409372.db2.gz WHJGKRGVARCGAM-UHFFFAOYSA-N 0 0 333.775 3.694 50 5 EHBARN CC(C)(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000016158980 203708488 /nfs/dbraw/zinc/70/84/88/203708488.db2.gz BCJBWJAUOWWQSC-UHFFFAOYSA-N 0 0 339.367 3.545 50 5 EHBARN Cc1ccc(C(=O)NCc2cccc(COC(C)C)c2)cc1[N+](=O)[O-] ZINC000048354657 204347504 /nfs/dbraw/zinc/34/75/04/204347504.db2.gz KSUDMTUQABPZLO-UHFFFAOYSA-N 0 0 342.395 3.758 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Br ZINC000000255438 206222659 /nfs/dbraw/zinc/22/26/59/206222659.db2.gz ZVINVXBSLAIINJ-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN C[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C1(Br)Br ZINC000000500277 206236502 /nfs/dbraw/zinc/23/65/02/206236502.db2.gz OJUKEDPMMWQXBR-IMTBSYHQSA-N 0 0 334.995 3.814 50 5 EHBARN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000012820216 207250009 /nfs/dbraw/zinc/25/00/09/207250009.db2.gz NAICBEBFKXBHEM-UHFFFAOYSA-N 0 0 330.365 3.772 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000055543384 132195818 /nfs/dbraw/zinc/19/58/18/132195818.db2.gz JFXMJJVSQBAVLO-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN O=[N+]([O-])c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000055543739 132196070 /nfs/dbraw/zinc/19/60/70/132196070.db2.gz RSZVNTYERRGQNC-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3nccs3)cc2[N+](=O)[O-])C1 ZINC000004896928 135667760 /nfs/dbraw/zinc/66/77/60/135667760.db2.gz 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ZINC000004600595 563929243 /nfs/dbraw/zinc/92/92/43/563929243.db2.gz DGHMMYJTXLDULJ-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN CCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000004608425 563930793 /nfs/dbraw/zinc/93/07/93/563930793.db2.gz NXAKIASBPATKJG-QGZVFWFLSA-N 0 0 325.368 3.961 50 5 EHBARN O=C(CSc1ccc([N+](=O)[O-])c2ncccc12)Nc1ccccc1 ZINC000013843395 563935252 /nfs/dbraw/zinc/93/52/52/563935252.db2.gz BJKBZWNJWBRUHO-UHFFFAOYSA-N 0 0 339.376 3.874 50 5 EHBARN COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000004699110 563964429 /nfs/dbraw/zinc/96/44/29/563964429.db2.gz XNRKTJVXWZVYHT-UHFFFAOYSA-N 0 0 344.367 3.744 50 5 EHBARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC000014266750 563983794 /nfs/dbraw/zinc/98/37/94/563983794.db2.gz POEPVBYZQANPJP-HNNXBMFYSA-N 0 0 332.356 3.698 50 5 EHBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000000294259 563990241 /nfs/dbraw/zinc/99/02/41/563990241.db2.gz BQGVMZWXMWNYCD-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=C(Cc1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000302927 563990802 /nfs/dbraw/zinc/99/08/02/563990802.db2.gz KILJLUNAKMOWSF-UHFFFAOYSA-N 0 0 331.328 3.525 50 5 EHBARN COc1ccc(NC(=O)COc2cc(C)cc(C)c2C)c([N+](=O)[O-])c1 ZINC000004907640 563992330 /nfs/dbraw/zinc/99/23/30/563992330.db2.gz IYUGFJVJOOIOJO-UHFFFAOYSA-N 0 0 344.367 3.546 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004902293 563992355 /nfs/dbraw/zinc/99/23/55/563992355.db2.gz AVYYMJNHWMNMTO-UHFFFAOYSA-N 0 0 330.384 3.758 50 5 EHBARN O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2ccc3c(O)cccc3c2N1 ZINC000004912920 563992410 /nfs/dbraw/zinc/99/24/10/563992410.db2.gz XOFFELYSMRAXAC-HNNXBMFYSA-N 0 0 334.331 3.928 50 5 EHBARN CC(C)c1onc(C(=O)Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000004937508 563992676 /nfs/dbraw/zinc/99/26/76/563992676.db2.gz YSGJYCOPUXNGPP-UHFFFAOYSA-N 0 0 343.261 3.977 50 5 EHBARN COc1ccc(C(=O)Oc2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000005059536 563994071 /nfs/dbraw/zinc/99/40/71/563994071.db2.gz NMUVZDFATVNGKX-UHFFFAOYSA-N 0 0 327.336 3.701 50 5 EHBARN CCc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000073180198 563994996 /nfs/dbraw/zinc/99/49/96/563994996.db2.gz KIGOLOHQPVYXMB-SECBINFHSA-N 0 0 332.360 3.645 50 5 EHBARN Cc1nn(CCC(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000252516506 563997818 /nfs/dbraw/zinc/99/78/18/563997818.db2.gz SWWRNQVOODZYGO-HRCADAONSA-N 0 0 349.431 3.700 50 5 EHBARN Cc1cc2ccccc2n1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000427907 563998823 /nfs/dbraw/zinc/99/88/23/563998823.db2.gz GJLYQFOCFXOTAQ-UHFFFAOYSA-N 0 0 337.379 3.596 50 5 EHBARN COc1ccc(OCc2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000005453864 564004247 /nfs/dbraw/zinc/00/42/47/564004247.db2.gz DUZJUXMTTUDWAP-UHFFFAOYSA-N 0 0 333.340 3.508 50 5 EHBARN CCCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000003431868 564004521 /nfs/dbraw/zinc/00/45/21/564004521.db2.gz LNMXUQXBLHCFGL-UHFFFAOYSA-N 0 0 334.401 3.740 50 5 EHBARN COc1ccc(C)cc1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000017742343 564012857 /nfs/dbraw/zinc/01/28/57/564012857.db2.gz KJVIRJYKTAWBEZ-UHFFFAOYSA-N 0 0 329.356 3.576 50 5 EHBARN CC1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000000558377 564022833 /nfs/dbraw/zinc/02/28/33/564022833.db2.gz ZBWQNLDDTPCSDQ-UHFFFAOYSA-N 0 0 329.356 3.676 50 5 EHBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(OC)c1 ZINC000047611812 564026546 /nfs/dbraw/zinc/02/65/46/564026546.db2.gz OQRCYNRVANKBPE-UHFFFAOYSA-N 0 0 329.356 3.657 50 5 EHBARN O=C(Oc1ccccc1[N+](=O)[O-])c1cc2c(nc3sccn23)s1 ZINC000049455189 564032747 /nfs/dbraw/zinc/03/27/47/564032747.db2.gz CZRLXUMIRUQHCV-UHFFFAOYSA-N 0 0 345.361 3.738 50 5 EHBARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000004032011 564061523 /nfs/dbraw/zinc/06/15/23/564061523.db2.gz XFHUVRDOFXUZPY-XOKHGSTOSA-N 0 0 335.400 3.978 50 5 EHBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004054382 564061712 /nfs/dbraw/zinc/06/17/12/564061712.db2.gz 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Cc1c2oc3c(nc4c(cnn4C)c3-c3ccc[nH]c3=O)c2ccc1O ZINC000253623688 244040425 /nfs/dbraw/zinc/04/04/25/244040425.db2.gz GUXVBBXMAWVJFG-UHFFFAOYSA-N 0 0 346.346 3.649 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1sccc1OC(F)F ZINC000071857388 203130180 /nfs/dbraw/zinc/13/01/80/203130180.db2.gz MVPORPWUMYLIKF-UHFFFAOYSA-N 0 0 344.295 3.519 50 5 EHBARN CCC[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000045797846 204333965 /nfs/dbraw/zinc/33/39/65/204333965.db2.gz VQXIPBDXEGTXCZ-KRWDZBQOSA-N 0 0 348.424 3.556 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000001057684 206265415 /nfs/dbraw/zinc/26/54/15/206265415.db2.gz CIKFGZVWHRTPMW-UHFFFAOYSA-N 0 0 330.340 3.643 50 5 EHBARN Cn1c2cc(=[NH2+])ccc-2c2ccc(N)cc2c1-c1ccc(C(=O)[O-])cc1 ZINC000409419464 257851417 /nfs/dbraw/zinc/85/14/17/257851417.db2.gz BACYQOWCVRPKAG-UHFFFAOYSA-N 0 0 343.386 3.710 50 5 EHBARN Cc1nn2c(=O)c3c4c(sc3nc2c2ccccc12)C[C@H](C)CC4 ZINC000001017594 563368720 /nfs/dbraw/zinc/36/87/20/563368720.db2.gz 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EHBARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000176574 563987664 /nfs/dbraw/zinc/98/76/64/563987664.db2.gz SWVYOHIOFQKUJK-ZSOIEALJSA-N 0 0 328.711 3.593 50 5 EHBARN O=C(NCc1cnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000000358672 563991553 /nfs/dbraw/zinc/99/15/53/563991553.db2.gz KWLKJCOPWNZWHY-UHFFFAOYSA-N 0 0 339.376 3.648 50 5 EHBARN C[C@H]1CCCCN1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000000374243 563991814 /nfs/dbraw/zinc/99/18/14/563991814.db2.gz RIWNBWGSJTWCOI-ZDUSSCGKSA-N 0 0 344.367 3.781 50 5 EHBARN O=[N+]([O-])c1cccnc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000024107440 563991936 /nfs/dbraw/zinc/99/19/36/563991936.db2.gz NXPZXWUGXXDNTL-UHFFFAOYSA-N 0 0 340.408 3.984 50 5 EHBARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cn1 ZINC000004863743 563992110 /nfs/dbraw/zinc/99/21/10/563992110.db2.gz JPHOWVYZDCNXKZ-UHFFFAOYSA-N 0 0 326.234 3.653 50 5 EHBARN Cc1ccc(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])cc1C ZINC000005024539 563993846 /nfs/dbraw/zinc/99/38/46/563993846.db2.gz ATSILMDPXVXBMH-UHFFFAOYSA-N 0 0 327.344 3.557 50 5 EHBARN CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1 ZINC000005119802 563994427 /nfs/dbraw/zinc/99/44/27/563994427.db2.gz NJSGXBGWTGCZQK-QMMMGPOBSA-N 0 0 336.783 3.574 50 5 EHBARN CC(=O)[C@@H](C)Oc1cc(O)c2c(c1)oc1cc(Cl)ccc1c2=O ZINC000005345713 564002934 /nfs/dbraw/zinc/00/29/34/564002934.db2.gz GIOSYYASRPWMBG-SECBINFHSA-N 0 0 332.739 3.662 50 5 EHBARN CSc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000005677460 564018093 /nfs/dbraw/zinc/01/80/93/564018093.db2.gz FVOOIHVSNXRWSE-UHFFFAOYSA-N 0 0 330.365 3.772 50 5 EHBARN CC(C)Cc1nc2sc3c(ncn4cnnc34)c2c2c1CCCC2 ZINC000000545830 564022707 /nfs/dbraw/zinc/02/27/07/564022707.db2.gz MXTYBXJSVZFDIC-UHFFFAOYSA-N 0 0 337.452 3.965 50 5 EHBARN O=C(Nc1cccc(Cl)c1)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000001385533 564063938 /nfs/dbraw/zinc/06/39/38/564063938.db2.gz LIHHGKHLMZDBDT-UHFFFAOYSA-N 0 0 342.742 3.686 50 5 EHBARN COc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000012932033 564078786 /nfs/dbraw/zinc/07/87/86/564078786.db2.gz ZKRLSHLJKMUEMB-HNNXBMFYSA-N 0 0 344.342 3.720 50 5 EHBARN CCOCc1ccccc1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000075108450 564080205 /nfs/dbraw/zinc/08/02/05/564080205.db2.gz XHQBORGRZRZJSH-UHFFFAOYSA-N 0 0 346.358 3.509 50 5 EHBARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000053642234 564082195 /nfs/dbraw/zinc/08/21/95/564082195.db2.gz UMPYQWKTARMADZ-DOMZBBRYSA-N 0 0 328.368 3.512 50 5 EHBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000001738743 564084418 /nfs/dbraw/zinc/08/44/18/564084418.db2.gz FPWRPEFGPVSSDR-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN COc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000001746110 564087014 /nfs/dbraw/zinc/08/70/14/564087014.db2.gz ASKZBFFGCYRIMF-UHFFFAOYSA-N 0 0 335.366 3.527 50 5 EHBARN Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000006558475 564092009 /nfs/dbraw/zinc/09/20/09/564092009.db2.gz GMLPICCSDJMQIS-UHFFFAOYSA-N 0 0 330.315 3.644 50 5 EHBARN O=C(Nc1ccccc1)[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000054389242 564094508 /nfs/dbraw/zinc/09/45/08/564094508.db2.gz ZDZVVRXLVCKLPW-SFHVURJKSA-N 0 0 348.362 3.782 50 5 EHBARN CCCc1ccc(N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007220801 564105863 /nfs/dbraw/zinc/10/58/63/564105863.db2.gz LIRAILZNCHEJCD-ZDUSSCGKSA-N 0 0 327.384 3.986 50 5 EHBARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000007474216 564108743 /nfs/dbraw/zinc/10/87/43/564108743.db2.gz IUPPFBNYEHPECQ-GFCCVEGCSA-N 0 0 344.392 3.917 50 5 EHBARN C[C@](Cc1ccccc1)([N+](=O)[O-])[C@](C)(Cc1ccccc1)[N+](=O)[O-] ZINC000002141647 564119179 /nfs/dbraw/zinc/11/91/79/564119179.db2.gz OZEQJUXGNUYFFN-HDICACEKSA-N 0 0 328.368 3.543 50 5 EHBARN O=[N+]([O-])c1cnc(NCc2csc(COc3ccccc3)n2)s1 ZINC000241160555 564122208 /nfs/dbraw/zinc/12/22/08/564122208.db2.gz JYETVDUWSXCSFU-UHFFFAOYSA-N 0 0 348.409 3.699 50 5 EHBARN CCc1ccc2c(COc3cc(F)ccc3[N+](=O)[O-])cc(=O)oc2c1 ZINC000007757925 564122702 /nfs/dbraw/zinc/12/27/02/564122702.db2.gz FBRCHNWNEYPRLU-UHFFFAOYSA-N 0 0 343.310 3.982 50 5 EHBARN O=C(Nc1ccncc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000195371308 564123360 /nfs/dbraw/zinc/12/33/60/564123360.db2.gz JOIPQUHANSEMPD-UHFFFAOYSA-N 0 0 349.346 3.821 50 5 EHBARN CCc1cc([N+](=O)[O-])c(N2CCC(c3ncc[nH]3)CC2)cc1Cl ZINC000253415519 564130722 /nfs/dbraw/zinc/13/07/22/564130722.db2.gz PIXHPKKOXUNLQO-UHFFFAOYSA-N 0 0 334.807 3.918 50 5 EHBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccco1 ZINC000008916665 564134156 /nfs/dbraw/zinc/13/41/56/564134156.db2.gz ONOWRZZTCKIOJR-UHFFFAOYSA-N 0 0 326.308 3.623 50 5 EHBARN CCN(Cc1ccoc1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000095430631 564140349 /nfs/dbraw/zinc/14/03/49/564140349.db2.gz MHUVPRPDIDAKFA-GFCCVEGCSA-N 0 0 342.355 3.821 50 5 EHBARN Cc1csc([C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000162555247 564153159 /nfs/dbraw/zinc/15/31/59/564153159.db2.gz WZGRXERBHRTWJW-JTQLQIEISA-N 0 0 334.401 3.593 50 5 EHBARN COC(=O)c1ccc(COc2cc([N+](=O)[O-])cc3cccnc32)cc1 ZINC000003256144 564156654 /nfs/dbraw/zinc/15/66/54/564156654.db2.gz NJVMYCIHVXYCQS-UHFFFAOYSA-N 0 0 338.319 3.509 50 5 EHBARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003285899 564156972 /nfs/dbraw/zinc/15/69/72/564156972.db2.gz CUIDULPBUBXDAJ-LLVKDONJSA-N 0 0 345.786 3.638 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)CCC2 ZINC000003323959 564157316 /nfs/dbraw/zinc/15/73/16/564157316.db2.gz BTWSLTMBYWSJCQ-UHFFFAOYSA-N 0 0 346.770 3.754 50 5 EHBARN COc1ccc(NC(=O)COc2c(C)cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000030953689 564158204 /nfs/dbraw/zinc/15/82/04/564158204.db2.gz RTXUDFZIRPPESI-UHFFFAOYSA-N 0 0 344.367 3.546 50 5 EHBARN CCCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000003878226 564159570 /nfs/dbraw/zinc/15/95/70/564159570.db2.gz SQIDKSVHTOXXAH-UHFFFAOYSA-N 0 0 349.412 3.608 50 5 EHBARN COc1ccc(NC(=S)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000004306800 564161562 /nfs/dbraw/zinc/16/15/62/564161562.db2.gz PSUFPCPTTRXCER-UHFFFAOYSA-N 0 0 339.323 3.691 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)c1ccccc1 ZINC000008178377 564163338 /nfs/dbraw/zinc/16/33/38/564163338.db2.gz LSQWDWZWWNIYSJ-CQSZACIVSA-N 0 0 326.274 3.759 50 5 EHBARN O=C(COc1cc(O)c2c(c1)oc1ccccc1c2=O)c1ccccc1 ZINC000008516208 564165535 /nfs/dbraw/zinc/16/55/35/564165535.db2.gz IQWZSZFWAWILPV-UHFFFAOYSA-N 0 0 346.338 3.914 50 5 biogenic EHBARN Cc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1[N+](=O)[O-] ZINC000008704744 564166451 /nfs/dbraw/zinc/16/64/51/564166451.db2.gz SOPVVXSYPFXSJO-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN O=[N+]([O-])c1ccc(Br)cc1Nc1ccnc(Cl)n1 ZINC000218898067 1134404309 /nfs/dbraw/zinc/40/43/09/1134404309.db2.gz AKCMJGJYTFFZJU-UHFFFAOYSA-N 0 0 329.541 3.544 50 5 EHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21 ZINC000014517587 201938477 /nfs/dbraw/zinc/93/84/77/201938477.db2.gz KCOZOSSPGJVQFH-UHFFFAOYSA-N 0 0 339.376 3.874 50 5 EHBARN O=c1cc(CSc2cccc[n+]2[O-])c2c(ccc3ccccc32)o1 ZINC000003365850 210018862 /nfs/dbraw/zinc/01/88/62/210018862.db2.gz RETDXMAIUWRGBX-UHFFFAOYSA-N 0 0 335.384 3.872 50 5 EHBARN Cc1ccc(OCCN(C)c2ccc([N+](=O)[O-])c3cnccc32)cc1 ZINC000015143073 201951773 /nfs/dbraw/zinc/95/17/73/201951773.db2.gz XYYNOALEDWSMKC-UHFFFAOYSA-N 0 0 337.379 3.967 50 5 EHBARN Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)o1 ZINC000020897010 202057329 /nfs/dbraw/zinc/05/73/29/202057329.db2.gz RFDRUOGLRSQTMA-UHFFFAOYSA-N 0 0 337.335 3.738 50 5 EHBARN CCC(CC)N(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000040151510 202426723 /nfs/dbraw/zinc/42/67/23/202426723.db2.gz LXKOAVXFYAOSQM-UHFFFAOYSA-N 0 0 340.445 3.553 50 5 EHBARN Cc1ccc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1 ZINC000096759278 201378644 /nfs/dbraw/zinc/37/86/44/201378644.db2.gz BUYSZSVRJZOGGZ-UVTDQMKNSA-N 0 0 333.347 3.557 50 5 EHBARN CCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12 ZINC000000101189 201434159 /nfs/dbraw/zinc/43/41/59/201434159.db2.gz PGHPEYSQOFSBGQ-GFCCVEGCSA-N 0 0 326.348 3.585 50 5 EHBARN COc1cccc(C(=O)Nc2cccnc2-c2ccccc2)c1[N+](=O)[O-] ZINC000194767691 240709996 /nfs/dbraw/zinc/70/99/96/240709996.db2.gz AVNNXXCGNZRBNC-UHFFFAOYSA-N 0 0 349.346 3.918 50 5 EHBARN Nc1ccc(OCc2csc(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000225823833 242052208 /nfs/dbraw/zinc/05/22/08/242052208.db2.gz PTHZKGHQPHPDGO-UHFFFAOYSA-N 0 0 341.392 3.803 50 5 EHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000003902714 201583960 /nfs/dbraw/zinc/58/39/60/201583960.db2.gz VLAJUXYGZCEFKR-UHFFFAOYSA-N 0 0 346.361 3.933 50 5 EHBARN COc1c(C)c(OC)c([N+](=O)[O-])cc1NC(=O)Nc1ccccc1C ZINC000004820630 201620586 /nfs/dbraw/zinc/62/05/86/201620586.db2.gz GBMPDFASFNNPPO-UHFFFAOYSA-N 0 0 345.355 3.873 50 5 EHBARN Cc1ccc(C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)cn1 ZINC000069775279 203048390 /nfs/dbraw/zinc/04/83/90/203048390.db2.gz DCRWZURYLVQORZ-UHFFFAOYSA-N 0 0 325.368 3.888 50 5 EHBARN CCc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000104230463 204101113 /nfs/dbraw/zinc/10/11/13/204101113.db2.gz KIWKPYOCJVLFBE-UHFFFAOYSA-N 0 0 332.272 3.717 50 5 EHBARN COc1ccccc1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043331642 204246527 /nfs/dbraw/zinc/24/65/27/204246527.db2.gz RPRRZXIPZNJZKQ-UHFFFAOYSA-N 0 0 335.747 3.579 50 5 EHBARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000048308846 204346120 /nfs/dbraw/zinc/34/61/20/204346120.db2.gz KANKUOOMLIXUCF-UHFFFAOYSA-N 0 0 334.335 3.613 50 5 EHBARN O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000473512 206241317 /nfs/dbraw/zinc/24/13/17/206241317.db2.gz RWOTZXJBDLYMGF-UHFFFAOYSA-N 0 0 339.178 3.874 50 5 EHBARN COc1ccc(CSCC(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000032815667 563748873 /nfs/dbraw/zinc/74/88/73/563748873.db2.gz BJSSELMMVKNKQH-UHFFFAOYSA-N 0 0 346.408 3.784 50 5 EHBARN Cc1ccc([S@@](C)(=O)=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004557369 563766859 /nfs/dbraw/zinc/76/68/59/563766859.db2.gz JGDBHKWXBSELDS-HSZRJFAPSA-N 0 0 335.341 3.600 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)nc1 ZINC000058153017 563937847 /nfs/dbraw/zinc/93/78/47/563937847.db2.gz XEQYXTHOLCPROD-UHFFFAOYSA-N 0 0 348.362 3.915 50 5 EHBARN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000096469340 563954455 /nfs/dbraw/zinc/95/44/55/563954455.db2.gz HAAQAIYGTHQKQU-IAQYHMDHSA-N 0 0 347.396 3.650 50 5 EHBARN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000096469348 563954490 /nfs/dbraw/zinc/95/44/90/563954490.db2.gz HAAQAIYGTHQKQU-NHYWBVRUSA-N 0 0 347.396 3.650 50 5 EHBARN Cc1nnc(CN(Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C)o1 ZINC000097082860 563967259 /nfs/dbraw/zinc/96/72/59/563967259.db2.gz TXOQPSCNHDASQO-UHFFFAOYSA-N 0 0 338.795 3.740 50 5 EHBARN Cc1cc(NC(=O)N2CCC(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000097095975 563967453 /nfs/dbraw/zinc/96/74/53/563967453.db2.gz SHQKOFKTHBNKSC-UHFFFAOYSA-N 0 0 347.415 3.574 50 5 EHBARN O=C(NCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000000059006 563971178 /nfs/dbraw/zinc/97/11/78/563971178.db2.gz RQTKYXPMZRCWPN-UHFFFAOYSA-N 0 0 325.151 3.832 50 5 EHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2oc1=O ZINC000004802222 563974813 /nfs/dbraw/zinc/97/48/13/563974813.db2.gz BMZQTNCMYLGGMG-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1c1ccccc1 ZINC000014077191 563983131 /nfs/dbraw/zinc/98/31/31/563983131.db2.gz LFFUBCGIFUNSED-SFHVURJKSA-N 0 0 339.395 3.679 50 5 EHBARN Cc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)cc1 ZINC000000187804 563987852 /nfs/dbraw/zinc/98/78/52/563987852.db2.gz NBPWOZGENZPLMD-UHFFFAOYSA-N 0 0 332.315 3.857 50 5 EHBARN COc1cc(C(=O)Nc2ccc(C(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000000184105 563987873 /nfs/dbraw/zinc/98/78/73/563987873.db2.gz CGTVBKPDJRVNJS-UHFFFAOYSA-N 0 0 344.367 3.988 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Br)o3)o2)cc1 ZINC000000276095 563990130 /nfs/dbraw/zinc/99/01/30/563990130.db2.gz GPZCIHCUJAEOHB-UHFFFAOYSA-N 0 0 336.101 3.667 50 5 EHBARN O=Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000308377 563990789 /nfs/dbraw/zinc/99/07/89/563990789.db2.gz GVDIUWOAAWUOKI-UHFFFAOYSA-N 0 0 340.118 3.933 50 5 EHBARN CCCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000303615 563990805 /nfs/dbraw/zinc/99/08/05/563990805.db2.gz JNQXLYILGZKFCS-UHFFFAOYSA-N 0 0 341.367 3.894 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N1c2ccccc2C[C@@H]1C ZINC000005041643 563994021 /nfs/dbraw/zinc/99/40/21/563994021.db2.gz LWBOUTPRSIGQOO-NSHDSACASA-N 0 0 343.408 3.751 50 5 EHBARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000005136678 563994528 /nfs/dbraw/zinc/99/45/28/563994528.db2.gz FTDOESWPVBRJQF-JYRVWZFOSA-N 0 0 346.701 3.732 50 5 EHBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1c(F)cccc1F ZINC000000424077 563998434 /nfs/dbraw/zinc/99/84/34/563998434.db2.gz XHVFFPQZNQSUPP-OAHLLOKOSA-N 0 0 336.319 3.652 50 5 EHBARN Cc1c(C)c(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000000535312 564021480 /nfs/dbraw/zinc/02/14/80/564021480.db2.gz BPAHELUFQXKRPY-UHFFFAOYSA-N 0 0 325.320 3.897 50 5 EHBARN COc1ccc(Cl)cc1NC(=O)CNc1cccc([N+](=O)[O-])c1C ZINC000007975204 564034586 /nfs/dbraw/zinc/03/45/86/564034586.db2.gz KWDBOJHZHPNMBQ-UHFFFAOYSA-N 0 0 349.774 3.616 50 5 EHBARN Cc1[nH]nc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1ccc(C)cc1)C2=O ZINC000005818268 564053633 /nfs/dbraw/zinc/05/36/33/564053633.db2.gz SKNWPRZWIIRZFE-GOSISDBHSA-N 0 0 348.362 3.685 50 5 EHBARN Cc1noc(C)c1C(=O)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063449450 564057501 /nfs/dbraw/zinc/05/75/01/564057501.db2.gz APARWHVPIMPVRY-UHFFFAOYSA-N 0 0 349.774 3.910 50 5 EHBARN CCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003897677 564057852 /nfs/dbraw/zinc/05/78/52/564057852.db2.gz VBZUGBGYJSWEJJ-BJMVGYQFSA-N 0 0 330.315 3.785 50 5 EHBARN O=[N+]([O-])c1ncccc1Oc1nc(-c2cccnc2)nc2ccccc21 ZINC000012645170 564062048 /nfs/dbraw/zinc/06/20/48/564062048.db2.gz POTMFOHRDUQVBZ-UHFFFAOYSA-N 0 0 345.318 3.787 50 5 EHBARN CN(Cc1cccc2ccccc21)c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000083864215 564064018 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563992143 /nfs/dbraw/zinc/99/21/43/563992143.db2.gz QPGFHKDDKOUEEI-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN O=C(NCc1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004895895 563992289 /nfs/dbraw/zinc/99/22/89/563992289.db2.gz WUCDNFZEQYSPDL-UHFFFAOYSA-N 0 0 339.395 3.515 50 5 EHBARN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CCCCC1 ZINC000005050642 563994096 /nfs/dbraw/zinc/99/40/96/563994096.db2.gz TXEBPZKXANXDTG-UHFFFAOYSA-N 0 0 331.416 3.600 50 5 EHBARN CC1(C)C(=O)O[C@@H](c2ccccc2[N+](=O)[O-])C2(CCCCC2)C1=O ZINC000000459881 563999834 /nfs/dbraw/zinc/99/98/34/563999834.db2.gz PMAIISAAALKIDD-AWEZNQCLSA-N 0 0 331.368 3.739 50 5 EHBARN CC(C)[C@H]1Oc2cc([N+](=O)[O-])ccc2N(Cc2ccccc2F)C1=O ZINC000061997488 564002659 /nfs/dbraw/zinc/00/26/59/564002659.db2.gz RORMSANYIODWED-QGZVFWFLSA-N 0 0 344.342 3.684 50 5 EHBARN CCc1cnc(CN(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000081080560 564013046 /nfs/dbraw/zinc/01/30/46/564013046.db2.gz ZNJDKHDKHLHQAG-UHFFFAOYSA-N 0 0 339.804 3.539 50 5 EHBARN COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000102980565 564021047 /nfs/dbraw/zinc/02/10/47/564021047.db2.gz ZPNBFCJRLBXAGN-ZDUSSCGKSA-N 0 0 328.368 3.760 50 5 EHBARN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000000522935 564021137 /nfs/dbraw/zinc/02/11/37/564021137.db2.gz UPCYVYWARJLBNN-INIZCTEOSA-N 0 0 338.367 3.742 50 5 EHBARN C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000120495426 564021247 /nfs/dbraw/zinc/02/12/47/564021247.db2.gz LLFUHXXSUVQNPB-AAEUAGOBSA-N 0 0 330.344 3.588 50 5 EHBARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014386282 564022231 /nfs/dbraw/zinc/02/22/31/564022231.db2.gz CAYGWCCXZQEWPX-UHFFFAOYSA-N 0 0 348.742 3.662 50 5 EHBARN Cc1csc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000006861372 564033715 /nfs/dbraw/zinc/03/37/15/564033715.db2.gz JORCIHPIZOWNAV-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN Cc1[nH]nc2c1[C@H](c1cccc([N+](=O)[O-])c1)N(c1ccc(C)cc1)C2=O ZINC000005818282 564053625 /nfs/dbraw/zinc/05/36/25/564053625.db2.gz OAWXVMDTUSBPPH-SFHVURJKSA-N 0 0 348.362 3.685 50 5 EHBARN COc1ccc(OCc2coc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000012622907 564061017 /nfs/dbraw/zinc/06/10/17/564061017.db2.gz FELBZPQALDJBMR-UHFFFAOYSA-N 0 0 326.308 3.837 50 5 EHBARN CC(C)CSc1nnc(Sc2ncccc2[N+](=O)[O-])s1 ZINC000004049748 564061684 /nfs/dbraw/zinc/06/16/84/564061684.db2.gz VWJGGBFFEYETLR-UHFFFAOYSA-N 0 0 328.444 3.741 50 5 EHBARN CN(Cc1ccc(O)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000052962364 564063179 /nfs/dbraw/zinc/06/31/79/564063179.db2.gz NAVVXPLFCLUCCK-UHFFFAOYSA-N 0 0 342.376 3.787 50 5 EHBARN O=[N+]([O-])c1cccnc1-n1ccc(-c2cnc(-c3ccccc3)s2)n1 ZINC000001389013 564064348 /nfs/dbraw/zinc/06/43/48/564064348.db2.gz BIAUAVFGMYHTOQ-UHFFFAOYSA-N 0 0 349.375 3.966 50 5 EHBARN C[C@@H](c1ccccc1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000015567028 564068309 /nfs/dbraw/zinc/06/83/09/564068309.db2.gz FINALXJQYHSOOW-ZDUSSCGKSA-N 0 0 330.409 3.907 50 5 EHBARN Cc1ccc([C@@H](C)N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000053212789 564073377 /nfs/dbraw/zinc/07/33/77/564073377.db2.gz HSDWYRWDMBLVTL-GFCCVEGCSA-N 0 0 333.413 3.596 50 5 EHBARN CCc1nc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000085635023 564074380 /nfs/dbraw/zinc/07/43/80/564074380.db2.gz CWBMDRYPZAXLER-UHFFFAOYSA-N 0 0 334.401 3.552 50 5 EHBARN Cc1c([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)cnn1-c1ccc(F)cc1 ZINC000012855499 564075482 /nfs/dbraw/zinc/07/54/82/564075482.db2.gz VEKDUMFPKZUISU-LLVKDONJSA-N 0 0 341.346 3.796 50 5 EHBARN O=c1[nH]cnc2cc(NCc3cccc4ccccc43)c([N+](=O)[O-])cc21 ZINC000063736205 564076712 /nfs/dbraw/zinc/07/67/12/564076712.db2.gz MHHFQULMXDXKCI-UHFFFAOYSA-N 0 0 346.346 3.597 50 5 EHBARN Cc1ncc(-c2ccccc2)cc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000374839213 564095805 /nfs/dbraw/zinc/09/58/05/564095805.db2.gz MXVZDCDVQNUKJP-UHFFFAOYSA-N 0 0 348.362 3.800 50 5 EHBARN O=[N+]([O-])c1ccc(NCCc2ccc3c(c2)OCO3)c2ccncc21 ZINC000065586272 564107712 /nfs/dbraw/zinc/10/77/12/564107712.db2.gz LEELFAAKWPBMTN-UHFFFAOYSA-N 0 0 337.335 3.526 50 5 EHBARN Cc1ccc(-c2nc(C(=O)Nc3ccncc3[N+](=O)[O-])cs2)cc1 ZINC000065614136 564108405 /nfs/dbraw/zinc/10/84/05/564108405.db2.gz PZRZVQUAHZZOOH-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN CC1=C(C)[C@H](Nc2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)C1=O ZINC000004560998 564111690 /nfs/dbraw/zinc/11/16/90/564111690.db2.gz JOOHWPQDLDHWDY-GOSISDBHSA-N 0 0 337.379 3.712 50 5 EHBARN O=C(Nc1ccc(Cl)c(Br)c1)c1ccc([N+](=O)[O-])o1 ZINC000094670755 564117137 /nfs/dbraw/zinc/11/71/37/564117137.db2.gz ZFCSQJDTDREDMP-UHFFFAOYSA-N 0 0 345.536 3.856 50 5 EHBARN O=C(c1ccc(SCc2csc([N+](=O)[O-])c2)nc1)N1CCCC1 ZINC000054452834 564118013 /nfs/dbraw/zinc/11/80/13/564118013.db2.gz JTCBNJNUDWCRJH-UHFFFAOYSA-N 0 0 349.437 3.580 50 5 EHBARN O=C(Nc1ccc(F)cc1F)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000002156391 564119518 /nfs/dbraw/zinc/11/95/18/564119518.db2.gz YYQSCHYLMXYORF-UHFFFAOYSA-N 0 0 338.266 3.501 50 5 EHBARN CC(C)(C)c1ccc(C(=O)NC[C@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000170651160 564120437 /nfs/dbraw/zinc/12/04/37/564120437.db2.gz HLLJEOSFIAQYTD-OAHLLOKOSA-N 0 0 338.407 3.962 50 5 EHBARN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000007871785 564124313 /nfs/dbraw/zinc/12/43/13/564124313.db2.gz AXRBAPBXJBLTBH-UHFFFAOYSA-N 0 0 334.759 3.529 50 5 EHBARN O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1C1CC1 ZINC000007889742 564124459 /nfs/dbraw/zinc/12/44/59/564124459.db2.gz ZTBLRSDSQSENAP-INIZCTEOSA-N 0 0 343.770 3.977 50 5 EHBARN COc1ccc(Cl)cc1NCCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012952489 564135681 /nfs/dbraw/zinc/13/56/81/564135681.db2.gz MWQDAKJFIKCDOO-UHFFFAOYSA-N 0 0 334.759 3.942 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000282436027 564146771 /nfs/dbraw/zinc/14/67/71/564146771.db2.gz FNGMIXKIXBQLDW-OAHLLOKOSA-N 0 0 347.415 3.682 50 5 EHBARN CC(=O)c1ccc(N2CCC[C@H]2c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000302399962 564150466 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O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cccs1 ZINC000004257955 564161264 /nfs/dbraw/zinc/16/12/64/564161264.db2.gz FYBJURZUPHXKBD-UHFFFAOYSA-N 0 0 327.159 3.671 50 5 EHBARN CC(=O)c1ccc(Oc2ccc3ccc(=O)oc3c2)c([N+](=O)[O-])c1 ZINC000007982731 564161729 /nfs/dbraw/zinc/16/17/29/564161729.db2.gz MTLXDAPJGLLLOZ-UHFFFAOYSA-N 0 0 325.276 3.696 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc2cc(F)ccc2s1 ZINC000040135181 564168305 /nfs/dbraw/zinc/16/83/05/564168305.db2.gz BXFNMEAQYPGVEF-UHFFFAOYSA-N 0 0 344.367 3.808 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cnccc1Oc1ccccc1 ZINC000069419120 564169368 /nfs/dbraw/zinc/16/93/68/564169368.db2.gz LUUOGCFDXXEHKM-UHFFFAOYSA-N 0 0 349.346 3.963 50 5 EHBARN CN(C)C(=O)c1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000042633228 564175091 /nfs/dbraw/zinc/17/50/91/564175091.db2.gz TZKGJTJNNUITLG-UHFFFAOYSA-N 0 0 333.775 3.562 50 5 EHBARN O=C(CCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000003313799 1129924060 /nfs/dbraw/zinc/92/40/60/1129924060.db2.gz 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3.944 50 5 biogenic EHBARN O=C(NCc1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000060017 201427367 /nfs/dbraw/zinc/42/73/67/201427367.db2.gz DRJBGJJMAALWFS-UHFFFAOYSA-N 0 0 325.151 3.832 50 5 EHBARN COc1ccc2c3ccc(OC(=O)c4ccco4)cc3oc(=O)c2c1 ZINC000000317440 201460014 /nfs/dbraw/zinc/46/00/14/201460014.db2.gz FYZNAUPIEQOVIN-UHFFFAOYSA-N 0 0 336.299 3.767 50 5 EHBARN CCCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000444408 201474532 /nfs/dbraw/zinc/47/45/32/201474532.db2.gz ZOYKSZOFKQJRBB-UHFFFAOYSA-N 0 0 327.340 3.586 50 5 EHBARN Cc1nn(Cc2ccc(C(=O)OC3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000060943438 202785117 /nfs/dbraw/zinc/78/51/17/202785117.db2.gz MFSCZPFDLKKNAN-UHFFFAOYSA-N 0 0 343.383 3.556 50 5 EHBARN O=[N+]([O-])c1ccccc1SNc1ccc(Br)cn1 ZINC000002584058 201536236 /nfs/dbraw/zinc/53/62/36/201536236.db2.gz ABUQWJFROWCBCZ-UHFFFAOYSA-N 0 0 326.175 3.872 50 5 EHBARN CCOc1ccc(NC(=O)Nc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000003899898 201584158 /nfs/dbraw/zinc/58/41/58/201584158.db2.gz LEPPDOZWLLILKP-UHFFFAOYSA-N 0 0 331.328 3.646 50 5 EHBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004525578 201605122 /nfs/dbraw/zinc/60/51/22/201605122.db2.gz UNGFEEYPGAUFRO-RFAUZJTJSA-N 0 0 343.408 3.635 50 5 EHBARN Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 ZINC000073438504 203266834 /nfs/dbraw/zinc/26/68/34/203266834.db2.gz VYSWTTIRUQVOCH-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000453146 206241060 /nfs/dbraw/zinc/24/10/60/206241060.db2.gz BGJQUBRNWLDTFK-UHFFFAOYSA-N 0 0 334.803 3.803 50 5 EHBARN Cc1ccc(C2=NNC(=NC3CCCCC3)SC2)cc1[N+](=O)[O-] ZINC000006672053 210676835 /nfs/dbraw/zinc/67/68/35/210676835.db2.gz PQIUSWWCNCYXEY-UHFFFAOYSA-N 0 0 332.429 3.632 50 5 EHBARN CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000119855329 257974949 /nfs/dbraw/zinc/97/49/49/257974949.db2.gz MBWQNOXVTINEIO-SECBINFHSA-N 0 0 339.442 3.817 50 5 EHBARN CC[C@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000050124553 132179383 /nfs/dbraw/zinc/17/93/83/132179383.db2.gz FMQFSPAOTQZVEJ-INIZCTEOSA-N 0 0 345.443 3.602 50 5 EHBARN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nccs3)cc2[N+](=O)[O-])C1 ZINC000004896922 135667835 /nfs/dbraw/zinc/66/78/35/135667835.db2.gz ZKFMVBLRSVKDBX-LLVKDONJSA-N 0 0 346.412 3.540 50 5 EHBARN COc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O ZINC000000242033 563265361 /nfs/dbraw/zinc/26/53/61/563265361.db2.gz HSZFUMOBSYDLLF-UHFFFAOYSA-N 0 0 329.355 3.513 50 5 EHBARN CC(C)N(CC1CC1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000032912886 563806283 /nfs/dbraw/zinc/80/62/83/563806283.db2.gz YQTMWFAOYQXHCD-UHFFFAOYSA-N 0 0 345.443 3.846 50 5 EHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCc2cc(F)ccc21 ZINC000046295746 563920633 /nfs/dbraw/zinc/92/06/33/563920633.db2.gz PZNOBMAAEVODJW-UHFFFAOYSA-N 0 0 346.383 3.805 50 5 EHBARN O=c1c2cc(F)c(F)c(F)c2sc2nc3cc(F)c(F)cc3n21 ZINC000004624377 563935404 /nfs/dbraw/zinc/93/54/04/563935404.db2.gz RDCPHQGMEHPUNK-UHFFFAOYSA-N 0 0 342.248 3.758 50 5 EHBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000004657029 563963396 /nfs/dbraw/zinc/96/33/96/563963396.db2.gz KUISYYFLAWATCI-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN CC(C)(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2o1 ZINC000033215312 563965837 /nfs/dbraw/zinc/96/58/37/563965837.db2.gz JDRUMKYWNCDBCL-UHFFFAOYSA-N 0 0 329.312 3.879 50 5 EHBARN CC(C)P(=O)(C(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004746800 563973027 /nfs/dbraw/zinc/97/30/27/563973027.db2.gz WVUGHVRHHKMALQ-UHFFFAOYSA-N 0 0 339.376 3.812 50 5 EHBARN COc1cc(C(C)=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000073814 563973743 /nfs/dbraw/zinc/97/37/43/563973743.db2.gz HXRYUSCCMFYTIU-UHFFFAOYSA-N 0 0 349.726 3.679 50 5 EHBARN CCOC(=O)c1cc2c(ccc3cc(Br)ccc32)oc1=O ZINC000000090249 563976535 /nfs/dbraw/zinc/97/65/35/563976535.db2.gz ZLMMMOQAMLZBRG-UHFFFAOYSA-N 0 0 347.164 3.885 50 5 EHBARN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000094399 563976616 /nfs/dbraw/zinc/97/66/16/563976616.db2.gz KKIVPOXYVUDHPE-UHFFFAOYSA-N 0 0 337.379 3.665 50 5 biogenic,in-vitro EHBARN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000138774 563986943 /nfs/dbraw/zinc/98/69/43/563986943.db2.gz FILPQMKYKXXSAT-UHFFFAOYSA-N 0 0 341.367 3.832 50 5 EHBARN Cc1cc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)no1 ZINC000000182067 563987888 /nfs/dbraw/zinc/98/78/88/563987888.db2.gz PUTQNEUUTXJHIT-UHFFFAOYSA-N 0 0 339.307 3.936 50 5 EHBARN O=C(Nc1cc2ccccc2oc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000253513 563989655 /nfs/dbraw/zinc/98/96/55/563989655.db2.gz XKLCTQOSYJTJKZ-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C/c1cccs1 ZINC000000296578 563990406 /nfs/dbraw/zinc/99/04/06/563990406.db2.gz RGSMWIHSWRURKL-KPKJPENVSA-N 0 0 334.740 3.654 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cccs1 ZINC000000296579 563990446 /nfs/dbraw/zinc/99/04/46/563990446.db2.gz RGSMWIHSWRURKL-GHXNOFRVSA-N 0 0 334.740 3.654 50 5 EHBARN O=[N+]([O-])c1ccc2[nH]c(CSc3nc4ccccc4o3)nc2c1 ZINC000000304897 563990792 /nfs/dbraw/zinc/99/07/92/563990792.db2.gz AKYRFPVYJQICLN-UHFFFAOYSA-N 0 0 326.337 3.905 50 5 EHBARN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000004870755 563992209 /nfs/dbraw/zinc/99/22/09/563992209.db2.gz UPCYVYWARJLBNN-MRXNPFEDSA-N 0 0 338.367 3.742 50 5 EHBARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004904494 563992338 /nfs/dbraw/zinc/99/23/38/563992338.db2.gz BLFXAHAWDNPTEC-LLVKDONJSA-N 0 0 334.759 3.963 50 5 EHBARN Cc1c(NC(=O)CCSCCc2ccccn2)cccc1[N+](=O)[O-] ZINC000004908729 563992390 /nfs/dbraw/zinc/99/23/90/563992390.db2.gz WNUGYCKUDLOXLL-UHFFFAOYSA-N 0 0 345.424 3.603 50 5 EHBARN CC(=O)c1ccc(N2CCC(F)(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000408524534 563993262 /nfs/dbraw/zinc/99/32/62/563993262.db2.gz VITWPBHBJZWQCU-UHFFFAOYSA-N 0 0 343.358 3.658 50 5 EHBARN Cc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1[N+](=O)[O-] ZINC000005013141 563993787 /nfs/dbraw/zinc/99/37/87/563993787.db2.gz NNNOILGCCLYMRJ-UHFFFAOYSA-N 0 0 341.392 3.747 50 5 EHBARN Cc1cccc(Nc2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])c1 ZINC000005051695 563994093 /nfs/dbraw/zinc/99/40/93/563994093.db2.gz KYJPQVQDUBYRKX-UHFFFAOYSA-N 0 0 342.403 3.764 50 5 EHBARN Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000454281 563999753 /nfs/dbraw/zinc/99/97/53/563999753.db2.gz YDJQUUBXZFZSKT-UHFFFAOYSA-N 0 0 343.408 3.647 50 5 EHBARN O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000473586 564006203 /nfs/dbraw/zinc/00/62/03/564006203.db2.gz RIWHOCWZCDKMML-UHFFFAOYSA-N 0 0 339.178 3.874 50 5 EHBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1 ZINC000000472713 564006213 /nfs/dbraw/zinc/00/62/13/564006213.db2.gz LXQLJEVWWJRDGG-UHFFFAOYSA-N 0 0 334.441 3.835 50 5 EHBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)cc1 ZINC000005636867 564006852 /nfs/dbraw/zinc/00/68/52/564006852.db2.gz KRVYYYLSZGYPLH-UHFFFAOYSA-N 0 0 345.374 3.510 50 5 EHBARN COc1cc(C(=O)Nc2ncccc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000181430080 564016088 /nfs/dbraw/zinc/01/60/88/564016088.db2.gz TYOBWLKXKVIGDD-UHFFFAOYSA-N 0 0 349.346 3.918 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000000555159 564022856 /nfs/dbraw/zinc/02/28/56/564022856.db2.gz AXGVWUBSBBWQLM-UHFFFAOYSA-N 0 0 339.178 3.761 50 5 EHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2c3c(cccc31)CC2 ZINC000000570043 564023213 /nfs/dbraw/zinc/02/32/13/564023213.db2.gz HRTJRMATTNPOSU-UHFFFAOYSA-N 0 0 348.358 3.864 50 5 EHBARN O=C(Nc1ccccc1N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000000569690 564023495 /nfs/dbraw/zinc/02/34/95/564023495.db2.gz GUIGXKABESUXKI-UHFFFAOYSA-N 0 0 325.368 3.837 50 5 EHBARN CCCCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000048300475 564030819 /nfs/dbraw/zinc/03/08/19/564030819.db2.gz ZPGMCXSUJSGAGN-UHFFFAOYSA-N 0 0 339.823 3.523 50 5 EHBARN O=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] ZINC000048342701 564031253 /nfs/dbraw/zinc/03/12/53/564031253.db2.gz CZMOUJGSHGVOFZ-UHFFFAOYSA-N 0 0 325.349 3.971 50 5 EHBARN CC(=O)c1ccc(Sc2nnc(-c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000008198865 564034856 /nfs/dbraw/zinc/03/48/56/564034856.db2.gz IIRKBMOPGBIOJD-UHFFFAOYSA-N 0 0 331.309 3.592 50 5 EHBARN Cc1nnc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1C1CC1 ZINC000129193856 564054333 /nfs/dbraw/zinc/05/43/33/564054333.db2.gz JRNFOSKARHKAPI-UHFFFAOYSA-N 0 0 342.186 3.749 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)o1 ZINC000003897748 564057848 /nfs/dbraw/zinc/05/78/48/564057848.db2.gz UVRQNQBPDVMWDZ-UHFFFAOYSA-N 0 0 345.536 3.856 50 5 EHBARN COc1ccc([C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000015541778 564067915 /nfs/dbraw/zinc/06/79/15/564067915.db2.gz XILNEZOKEYYDRL-QGZVFWFLSA-N 0 0 340.379 3.510 50 5 EHBARN CC[C@H]1c2ccsc2CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000012769337 564068567 /nfs/dbraw/zinc/06/85/67/564068567.db2.gz ZFVHNEFRDIFDET-ZDUSSCGKSA-N 0 0 346.408 3.571 50 5 EHBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000001518263 564075741 /nfs/dbraw/zinc/07/57/41/564075741.db2.gz PHKANBZTMIYJHK-UHFFFAOYSA-N 0 0 347.327 3.605 50 5 EHBARN O=c1oc2ccc3ccccc3c2cc1S(=O)(=O)c1ccccc1 ZINC000035577838 564085401 /nfs/dbraw/zinc/08/54/01/564085401.db2.gz FNIDEZRNTLNOFE-UHFFFAOYSA-N 0 0 336.368 3.779 50 5 EHBARN COc1ccc(OC)c(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000001753780 564087205 /nfs/dbraw/zinc/08/72/05/564087205.db2.gz LAAPAEMUJINBQQ-UHFFFAOYSA-N 0 0 331.328 3.564 50 5 EHBARN O=C(CCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Cl)cc1 ZINC000006665222 564095625 /nfs/dbraw/zinc/09/56/25/564095625.db2.gz JITVCNREOHGWMI-UHFFFAOYSA-N 0 0 344.758 3.696 50 5 EHBARN N=C1c2ccccc2CN1c1ccc([N+](=O)[O-])cc1Br ZINC000006757331 564097320 /nfs/dbraw/zinc/09/73/20/564097320.db2.gz PQKOPXCTLZCEQV-UHFFFAOYSA-N 0 0 332.157 3.703 50 5 EHBARN CC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000006788177 564097791 /nfs/dbraw/zinc/09/77/91/564097791.db2.gz BPRJRIUZKMOXFA-UHFFFAOYSA-N 0 0 345.443 3.703 50 5 EHBARN Cc1ccc2[nH]c([C@H]3CCCN(c4ncc([N+](=O)[O-])s4)C3)nc2c1 ZINC000170606608 564109662 /nfs/dbraw/zinc/10/96/62/564109662.db2.gz JJZNGLWAVJYXNF-NSHDSACASA-N 0 0 343.412 3.620 50 5 EHBARN Cc1ccc(C)c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000016811289 564113530 /nfs/dbraw/zinc/11/35/30/564113530.db2.gz FZZZKJBCWDDOPD-UHFFFAOYSA-N 0 0 342.420 3.893 50 5 EHBARN COc1ccc(OC)c(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000002170545 564120640 /nfs/dbraw/zinc/12/06/40/564120640.db2.gz DBHLWRZVIMDRRO-ONEGZZNKSA-N 0 0 330.296 3.691 50 5 EHBARN CCOc1cc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000007865434 564124312 /nfs/dbraw/zinc/12/43/12/564124312.db2.gz ANTWPNVDEUJHNQ-GFCCVEGCSA-N 0 0 345.351 3.920 50 5 EHBARN COc1ccc2oc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000007942944 564135347 /nfs/dbraw/zinc/13/53/47/564135347.db2.gz AIIPTABPWPGORE-UHFFFAOYSA-N 0 0 326.308 3.910 50 5 EHBARN CC(C)(C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000096111304 564145387 /nfs/dbraw/zinc/14/53/87/564145387.db2.gz MDFPPRZYASBLMY-UHFFFAOYSA-N 0 0 334.397 3.693 50 5 EHBARN CC1(C)C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1=O ZINC000002601171 564151093 /nfs/dbraw/zinc/15/10/93/564151093.db2.gz QFIKZFLDORQCPL-CQSZACIVSA-N 0 0 331.368 3.739 50 5 EHBARN CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2s1 ZINC000002699349 564152122 /nfs/dbraw/zinc/15/21/22/564152122.db2.gz RLWHYLRJFAHRSF-UHFFFAOYSA-N 0 0 335.366 3.772 50 5 EHBARN CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000002848355 564152828 /nfs/dbraw/zinc/15/28/28/564152828.db2.gz BCQUHCBKPBGUBW-UHFFFAOYSA-N 0 0 329.356 3.676 50 5 EHBARN COc1cccc(OC)c1OCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000002937501 564153121 /nfs/dbraw/zinc/15/31/21/564153121.db2.gz WUMFAUZNFNMAIW-UHFFFAOYSA-N 0 0 347.367 3.850 50 5 EHBARN Cc1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000003131787 564155358 /nfs/dbraw/zinc/15/53/58/564155358.db2.gz RCVOHMGXBKLPOP-UHFFFAOYSA-N 0 0 336.687 3.684 50 5 EHBARN O=[N+]([O-])c1cccc(NCn2nc(-c3ccccc3O)oc2=S)c1 ZINC000003178175 564155698 /nfs/dbraw/zinc/15/56/98/564155698.db2.gz KHBDLFWIQXKYKK-UHFFFAOYSA-N 0 0 344.352 3.556 50 5 EHBARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1C ZINC000003355233 564157625 /nfs/dbraw/zinc/15/76/25/564157625.db2.gz NDQZVJNYRIHJIY-UHFFFAOYSA-N 0 0 334.397 3.629 50 5 EHBARN Cc1[nH]c2ccccc2c1C(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000003572617 564159024 /nfs/dbraw/zinc/15/90/24/564159024.db2.gz QTKTVFUVQIJEBC-UHFFFAOYSA-N 0 0 328.299 3.785 50 5 EHBARN C[C@@H](NC(=O)CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000031484224 564159421 /nfs/dbraw/zinc/15/94/21/564159421.db2.gz VSGRGUOWVSQSHW-GFCCVEGCSA-N 0 0 348.786 3.895 50 5 EHBARN O=C(OCc1nc2ccccc2o1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000008508640 564165502 /nfs/dbraw/zinc/16/55/02/564165502.db2.gz VJLHFIARWBZAQY-UHFFFAOYSA-N 0 0 332.699 3.746 50 5 EHBARN COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000068815722 564167736 /nfs/dbraw/zinc/16/77/36/564167736.db2.gz NBVSRDSNPQYMBB-LBPRGKRZSA-N 0 0 332.381 3.642 50 5 EHBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCCCC1 ZINC000009368957 564173078 /nfs/dbraw/zinc/17/30/78/564173078.db2.gz UJHPKDUXLKUXBL-UHFFFAOYSA-N 0 0 345.443 3.604 50 5 EHBARN Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 ZINC000002831434 1025910593 /nfs/dbraw/zinc/91/05/93/1025910593.db2.gz AZGVJXAGTMYMKJ-GFCCVEGCSA-N 0 0 343.339 3.611 50 5 EHBARN COc1ccc(Cl)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033315456 1122593866 /nfs/dbraw/zinc/59/38/66/1122593866.db2.gz BNSOUKGLSUMJDD-WTKPLQERSA-N 0 0 332.743 3.909 50 5 EHBARN Cc1ccccc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000009690524 201785259 /nfs/dbraw/zinc/78/52/59/201785259.db2.gz PGOWUCXZQXPIBM-UHFFFAOYSA-N 0 0 347.802 3.627 50 5 EHBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sccc2C1 ZINC000010923567 201803995 /nfs/dbraw/zinc/80/39/95/201803995.db2.gz XJNBZHPLHGXEMA-NSHDSACASA-N 0 0 348.449 3.722 50 5 EHBARN Cc1cc(C(=O)NCc2coc(-c3cccs3)n2)ccc1[N+](=O)[O-] ZINC000010875667 201804172 /nfs/dbraw/zinc/80/41/72/201804172.db2.gz ZWEMGNSGOPIRAT-UHFFFAOYSA-N 0 0 343.364 3.550 50 5 EHBARN COC(=O)CC12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 ZINC000016662283 201978423 /nfs/dbraw/zinc/97/84/23/201978423.db2.gz RYYGMURXMWRUFA-BAUKFBFWSA-N 0 0 329.396 3.996 50 5 EHBARN COc1cc(CC(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000026252927 202139751 /nfs/dbraw/zinc/13/97/51/202139751.db2.gz GASACGPWLFWODV-CYBMUJFWSA-N 0 0 329.352 3.759 50 5 EHBARN Nc1ncnc(SCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000028405806 202170371 /nfs/dbraw/zinc/17/03/71/202170371.db2.gz DNFCZNZPOKLUIZ-UHFFFAOYSA-N 0 0 331.184 3.566 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000032191513 202222668 /nfs/dbraw/zinc/22/26/68/202222668.db2.gz VDHQJGHQZCITBD-UHFFFAOYSA-N 0 0 330.300 3.764 50 5 EHBARN COc1ccccc1CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000032818853 202236183 /nfs/dbraw/zinc/23/61/83/202236183.db2.gz GPUXPRYYAWNFHZ-CYBMUJFWSA-N 0 0 340.379 3.514 50 5 EHBARN C[C@@H](OCCCNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000032907557 202240423 /nfs/dbraw/zinc/24/04/23/202240423.db2.gz ISXYZPKATCHSMV-GFCCVEGCSA-N 0 0 334.397 3.554 50 5 EHBARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000032970398 202245040 /nfs/dbraw/zinc/24/50/40/202245040.db2.gz CROVFXHGWAOFRB-MLGOLLRUSA-N 0 0 328.368 3.512 50 5 EHBARN COc1ccc(C(=O)Nc2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000075250247 202379599 /nfs/dbraw/zinc/37/95/99/202379599.db2.gz QEVBGUGBDUOSFX-UHFFFAOYSA-N 0 0 344.370 3.942 50 5 EHBARN CCOC(=O)c1c(C)nc(C)c2c(=O)oc3ccc(Cl)cc3c12 ZINC000072422409 216212193 /nfs/dbraw/zinc/21/21/93/216212193.db2.gz SKXJPDBNXYLBIJ-UHFFFAOYSA-N 0 0 331.755 3.788 50 5 EHBARN CCC(=O)Nc1nc2c(c3c4ccccc4oc(=O)c13)CCCCC2 ZINC000000054493 201428042 /nfs/dbraw/zinc/42/80/42/201428042.db2.gz KBSPLJOJVHEXJE-UHFFFAOYSA-N 0 0 336.391 3.959 50 5 EHBARN COc1cccc(C(=O)Nc2cc(-c3ccccc3)on2)c1[N+](=O)[O-] ZINC000193226640 240067617 /nfs/dbraw/zinc/06/76/17/240067617.db2.gz LNWSAJYEYHZLIA-UHFFFAOYSA-N 0 0 339.307 3.511 50 5 EHBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)OC(C)C ZINC000000526352 201482863 /nfs/dbraw/zinc/48/28/63/201482863.db2.gz YYFSTFSPQNPVJW-UHFFFAOYSA-N 0 0 349.390 3.698 50 5 EHBARN CCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000000541561 201486248 /nfs/dbraw/zinc/48/62/48/201486248.db2.gz RLYOMAAIWRBOHX-UHFFFAOYSA-N 0 0 333.351 3.965 50 5 EHBARN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1-c1cccc(Cl)c1 ZINC000003133781 201558371 /nfs/dbraw/zinc/55/83/71/201558371.db2.gz TUPLRSGQCOPSGX-UHFFFAOYSA-N 0 0 328.759 3.992 50 5 EHBARN O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc12 ZINC000004826401 201621032 /nfs/dbraw/zinc/62/10/32/201621032.db2.gz QSFHJMMOBLSFOC-FPYGCLRLSA-N 0 0 328.711 3.920 50 5 EHBARN Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000004668159 201609565 /nfs/dbraw/zinc/60/95/65/201609565.db2.gz YYMPRKYNROXWFV-UHFFFAOYSA-N 0 0 325.368 3.756 50 5 EHBARN CC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000005041729 201635847 /nfs/dbraw/zinc/63/58/47/201635847.db2.gz XDPWTHWXWBSBBM-UHFFFAOYSA-N 0 0 329.381 3.915 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(C)cc1Cl ZINC000005700222 201660439 /nfs/dbraw/zinc/66/04/39/201660439.db2.gz GVRZQIFFEVQTTP-UHFFFAOYSA-N 0 0 349.774 3.616 50 5 EHBARN O=C(CC(F)(F)F)Nc1ccc(Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000242147497 243009842 /nfs/dbraw/zinc/00/98/42/243009842.db2.gz WSHBEEYLAVXZML-UHFFFAOYSA-N 0 0 346.290 3.686 50 5 EHBARN Cc1cc([N+](=O)[O-])cnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000071910181 203146867 /nfs/dbraw/zinc/14/68/67/203146867.db2.gz GQBBEXBTEXVSJF-UHFFFAOYSA-N 0 0 343.227 3.619 50 5 EHBARN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000071883113 203135235 /nfs/dbraw/zinc/13/52/35/203135235.db2.gz FTPOXJZHOPVSNX-VIFPVBQESA-N 0 0 337.376 3.640 50 5 EHBARN Cc1cccc(C(=O)N[C@H](C)c2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000071893393 203139898 /nfs/dbraw/zinc/13/98/98/203139898.db2.gz ATQUEHLORIIBNJ-LLVKDONJSA-N 0 0 345.424 3.730 50 5 EHBARN CN(C)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 ZINC000018158038 211985341 /nfs/dbraw/zinc/98/53/41/211985341.db2.gz PGYNPIHYIBODEF-BAUKFBFWSA-N 0 0 328.412 3.521 50 5 EHBARN Cc1ccc(C2=N/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C(=O)O2)cc1 ZINC000000460704 205466363 /nfs/dbraw/zinc/46/63/63/205466363.db2.gz LXBQUKIEXPJEIU-OQLLNIDSSA-N 0 0 342.738 3.901 50 5 EHBARN CCOC(=O)c1cc(C)sc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000371355 206236205 /nfs/dbraw/zinc/23/62/05/206236205.db2.gz KHIZBCOAJQRUPS-UHFFFAOYSA-N 0 0 348.380 3.702 50 5 EHBARN O=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000000453593 206241074 /nfs/dbraw/zinc/24/10/74/206241074.db2.gz LRNSIEZONVUPSE-UHFFFAOYSA-N 0 0 336.141 3.749 50 5 EHBARN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172754012 257954555 /nfs/dbraw/zinc/95/45/55/257954555.db2.gz JBCWBYABGZJMSJ-NSHDSACASA-N 0 0 334.322 3.635 50 5 EHBARN CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=O)CC1 ZINC000004181558 135662959 /nfs/dbraw/zinc/66/29/59/135662959.db2.gz CEDHKWCRZVMMQG-UHFFFAOYSA-N 0 0 345.443 3.880 50 5 EHBARN Cc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004601299 563929605 /nfs/dbraw/zinc/92/96/05/563929605.db2.gz ZIKZKQXTKQGECO-UHFFFAOYSA-N 0 0 328.412 3.849 50 5 EHBARN Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000096455227 563953864 /nfs/dbraw/zinc/95/38/64/563953864.db2.gz HZGNXCRTXMRPPP-KBPBESRZSA-N 0 0 342.399 3.762 50 5 EHBARN CCc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000000087981 563974660 /nfs/dbraw/zinc/97/46/60/563974660.db2.gz UHRMLERNVIFXNA-UHFFFAOYSA-N 0 0 325.324 3.786 50 5 EHBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000004802040 563974825 /nfs/dbraw/zinc/97/48/25/563974825.db2.gz NJNUQBORAFGXJR-UHFFFAOYSA-N 0 0 348.742 3.580 50 5 EHBARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 ZINC000000096033 563976462 /nfs/dbraw/zinc/97/64/62/563976462.db2.gz ULVXDYPPPUOAAO-UHFFFAOYSA-N 0 0 328.372 3.628 50 5 EHBARN C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000014065851 563983078 /nfs/dbraw/zinc/98/30/78/563983078.db2.gz AUUCCTGLHIIENJ-TXEJJXNPSA-N 0 0 341.839 3.548 50 5 EHBARN Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 ZINC000004846684 563985762 /nfs/dbraw/zinc/98/57/62/563985762.db2.gz IMLNGNGJTBSACF-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1N1CCCCC1 ZINC000000168563 563987451 /nfs/dbraw/zinc/98/74/51/563987451.db2.gz ODSFCUUITDXKJO-UHFFFAOYSA-N 0 0 343.383 3.757 50 5 EHBARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000000180277 563987807 /nfs/dbraw/zinc/98/78/07/563987807.db2.gz MFFROSRTJYWFLH-MRXNPFEDSA-N 0 0 332.356 3.821 50 5 EHBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000243811 563989137 /nfs/dbraw/zinc/98/91/37/563989137.db2.gz YVUGWYRJTUJCQC-UHFFFAOYSA-N 0 0 348.380 3.702 50 5 EHBARN Cc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000000303242 563990785 /nfs/dbraw/zinc/99/07/85/563990785.db2.gz LMSYMDSUPDKZPP-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCC2)cc1 ZINC000000317312 563990961 /nfs/dbraw/zinc/99/09/61/563990961.db2.gz BNPJGGAKYBDADR-IZZDOVSWSA-N 0 0 337.379 3.847 50 5 EHBARN O=[N+]([O-])c1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000000351161 563991515 /nfs/dbraw/zinc/99/15/15/563991515.db2.gz XSGLKSWEYRBHSW-UHFFFAOYSA-N 0 0 345.830 3.566 50 5 EHBARN CCC(C)(C)c1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000000372862 563991857 /nfs/dbraw/zinc/99/18/57/563991857.db2.gz YLUWQTKQKJDALR-UHFFFAOYSA-N 0 0 334.401 3.695 50 5 EHBARN Cc1ccc2nsnc2c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000450192 563999760 /nfs/dbraw/zinc/99/97/60/563999760.db2.gz KWVWZNWZAZRORJ-SOFGYWHQSA-N 0 0 340.364 3.560 50 5 EHBARN Cc1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1[N+](=O)[O-] ZINC000000453785 563999769 /nfs/dbraw/zinc/99/97/69/563999769.db2.gz VEWUJONAHJYZDL-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN Cc1c(C(=O)OCC(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000000462167 564000739 /nfs/dbraw/zinc/00/07/39/564000739.db2.gz VOFOXCBKPCYYMG-UHFFFAOYSA-N 0 0 333.727 3.596 50 5 EHBARN Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000005406285 564003677 /nfs/dbraw/zinc/00/36/77/564003677.db2.gz XMVLJJKCQUOTDR-UHFFFAOYSA-N 0 0 341.392 3.785 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000005547343 564005208 /nfs/dbraw/zinc/00/52/08/564005208.db2.gz HRSZBMRDMZTMQC-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN Cc1nc(-c2ccccc2)ncc1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000120285789 564012317 /nfs/dbraw/zinc/01/23/17/564012317.db2.gz KDDXQIRPSFKLGS-UHFFFAOYSA-N 0 0 348.362 3.637 50 5 EHBARN CN(Cc1csc2ccccc12)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000052241049 564053979 /nfs/dbraw/zinc/05/39/79/564053979.db2.gz ZNMIOVYFHMDXOV-UHFFFAOYSA-N 0 0 341.392 3.545 50 5 EHBARN CCc1cccc2c(C(=O)COc3ccc(C)nc3[N+](=O)[O-])c[nH]c21 ZINC000005970191 564057361 /nfs/dbraw/zinc/05/73/61/564057361.db2.gz GMAUCTQVLHRNGU-UHFFFAOYSA-N 0 0 339.351 3.604 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000003885246 564057763 /nfs/dbraw/zinc/05/77/63/564057763.db2.gz FBWBJJUHECIUDH-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1nc2ccccc2n1C(F)F ZINC000012525549 564058158 /nfs/dbraw/zinc/05/81/58/564058158.db2.gz BBSBTXUQKAZDOF-SECBINFHSA-N 0 0 333.298 3.908 50 5 EHBARN COCc1ccc([C@@H]2CCCN2c2cccc(OC)c2[N+](=O)[O-])o1 ZINC000185733448 564074722 /nfs/dbraw/zinc/07/47/22/564074722.db2.gz LQMJVESJINTRJU-ZDUSSCGKSA-N 0 0 332.356 3.684 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1OCc1cc(OC)c(OC)cc1C ZINC000006127193 564075428 /nfs/dbraw/zinc/07/54/28/564075428.db2.gz VIELOIQNDZJJEZ-UHFFFAOYSA-N 0 0 333.340 3.508 50 5 EHBARN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000012880723 564077335 /nfs/dbraw/zinc/07/73/35/564077335.db2.gz SGMNPCJRNPJQMF-GFCCVEGCSA-N 0 0 340.335 3.597 50 5 EHBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000006249686 564083222 /nfs/dbraw/zinc/08/32/22/564083222.db2.gz PVIYQNHLCFFRQF-UHSVVUDUSA-N 0 0 328.412 3.930 50 5 EHBARN COc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000001778308 564087406 /nfs/dbraw/zinc/08/74/06/564087406.db2.gz KUQZOELWSZMVRN-UHFFFAOYSA-N 0 0 344.367 3.710 50 5 EHBARN CC(=O)c1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000089331115 564089601 /nfs/dbraw/zinc/08/96/01/564089601.db2.gz AJLHMHAWYKZZLW-UHFFFAOYSA-N 0 0 337.129 3.747 50 5 EHBARN CCc1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC ZINC000017068037 564116296 /nfs/dbraw/zinc/11/62/96/564116296.db2.gz FPDUWTDEDGSNRU-UHFFFAOYSA-N 0 0 331.397 3.975 50 5 EHBARN C[S@@](=O)Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000195559039 564123842 /nfs/dbraw/zinc/12/38/42/564123842.db2.gz CZPKISKAGNBZKO-JOCHJYFZSA-N 0 0 338.816 3.739 50 5 EHBARN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000080083466 564139101 /nfs/dbraw/zinc/13/91/01/564139101.db2.gz CNOFRXIQQYEFAS-SSDOTTSWSA-N 0 0 345.302 3.561 50 5 EHBARN O=[N+]([O-])c1cccc(NCc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000095414802 564139737 /nfs/dbraw/zinc/13/97/37/564139737.db2.gz AUHGEZXMRMOEBX-UHFFFAOYSA-N 0 0 330.731 3.910 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC1(CCO)CCC1 ZINC000095943713 564142133 /nfs/dbraw/zinc/14/21/33/564142133.db2.gz KXOVPOVVNVDYSQ-UHFFFAOYSA-N 0 0 338.713 3.984 50 5 EHBARN O=[N+]([O-])c1cnc(N[C@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000225697789 564150327 /nfs/dbraw/zinc/15/03/27/564150327.db2.gz ALXFUZDTALAMKR-MRVPVSSYSA-N 0 0 334.184 3.504 50 5 EHBARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000002642441 564151742 /nfs/dbraw/zinc/15/17/42/564151742.db2.gz PHGZKCKCTVCFSE-UHFFFAOYSA-N 0 0 336.351 3.650 50 5 EHBARN CCCCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000002830867 564152800 /nfs/dbraw/zinc/15/28/00/564152800.db2.gz XKHNPTXISKAIAF-UHFFFAOYSA-N 0 0 341.367 3.976 50 5 EHBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)cc1 ZINC000003149535 564155467 /nfs/dbraw/zinc/15/54/67/564155467.db2.gz LWCACGZWLYOJKZ-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN Cc1nc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000058018553 564157151 /nfs/dbraw/zinc/15/71/51/564157151.db2.gz IXWQZSQVOWSJLQ-QMMMGPOBSA-N 0 0 339.804 3.813 50 5 EHBARN O=[N+]([O-])c1c(N[C@H]2CCc3c2cccc3Cl)nc2ccccn21 ZINC000058413507 564159083 /nfs/dbraw/zinc/15/90/83/564159083.db2.gz JVZDOJPJJICRQL-ZDUSSCGKSA-N 0 0 328.759 3.995 50 5 EHBARN COc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000003958598 564159751 /nfs/dbraw/zinc/15/97/51/564159751.db2.gz LTPIPPKZIWPQSU-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN COc1ccc(NC(=O)COc2c(C)ccc(C)c2C)c([N+](=O)[O-])c1 ZINC000004043002 564160180 /nfs/dbraw/zinc/16/01/80/564160180.db2.gz QUPGFCQZHRXGJC-UHFFFAOYSA-N 0 0 344.367 3.546 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](O)c1ccccc1F ZINC000040083187 564167937 /nfs/dbraw/zinc/16/79/37/564167937.db2.gz MBKQVDOJVBOOGB-AWEZNQCLSA-N 0 0 344.264 3.898 50 5 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O=C(NC1CCCCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000031814659 202211244 /nfs/dbraw/zinc/21/12/44/202211244.db2.gz MGUISRNTOPPKJA-UHFFFAOYSA-N 0 0 342.399 3.623 50 5 EHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000096940859 201378672 /nfs/dbraw/zinc/37/86/72/201378672.db2.gz RCPLALBUSWRRQG-YFHOEESVSA-N 0 0 347.374 3.674 50 5 EHBARN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000045624573 202553675 /nfs/dbraw/zinc/55/36/75/202553675.db2.gz FORZOKABPQPRHG-CQSZACIVSA-N 0 0 331.397 3.703 50 5 EHBARN COC(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000000060818 201427609 /nfs/dbraw/zinc/42/76/09/201427609.db2.gz JOBHIIUTSGNEMY-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1[N+](=O)[O-] ZINC000000127581 201438034 /nfs/dbraw/zinc/43/80/34/201438034.db2.gz UDSREOOGSWXERA-UHFFFAOYSA-N 0 0 339.376 3.894 50 5 EHBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)cc1F ZINC000000180778 201445731 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EHBARN Cc1cnc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)s1 ZINC000241588284 242995149 /nfs/dbraw/zinc/99/51/49/242995149.db2.gz PBQNDJBXIAJDGS-ZDUSSCGKSA-N 0 0 345.424 3.688 50 5 EHBARN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C)cc1SC ZINC000069777028 203048490 /nfs/dbraw/zinc/04/84/90/203048490.db2.gz RCDCSEFEPPONEW-PWSUYJOCSA-N 0 0 338.429 3.634 50 5 EHBARN O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)c(F)c1 ZINC000072334180 203202270 /nfs/dbraw/zinc/20/22/70/203202270.db2.gz AHUYBLQDGCVJJN-UHFFFAOYSA-N 0 0 329.253 3.817 50 5 EHBARN CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000075107482 203301286 /nfs/dbraw/zinc/30/12/86/203301286.db2.gz NONKFACWJAKGLK-OAHLLOKOSA-N 0 0 347.802 3.813 50 5 EHBARN O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2)c(C(F)(F)F)c1 ZINC000048367720 204351585 /nfs/dbraw/zinc/35/15/85/204351585.db2.gz AZYQZTXOAWXJOT-CQSZACIVSA-N 0 0 326.274 3.759 50 5 EHBARN C[P@@](=O)(Nc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCCC2 ZINC000005524306 205774661 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Cc1cccc(N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c1 ZINC000059121552 132804658 /nfs/dbraw/zinc/80/46/58/132804658.db2.gz SQDWQWVCAGPYSG-UHFFFAOYSA-N 0 0 348.406 3.778 50 5 EHBARN Cc1ccc(CNc2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000124005226 222363778 /nfs/dbraw/zinc/36/37/78/222363778.db2.gz PLVNBNYZYWNCQI-UHFFFAOYSA-N 0 0 325.368 3.864 50 5 EHBARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])o2)c1 ZINC000004479505 563729579 /nfs/dbraw/zinc/72/95/79/563729579.db2.gz WBOOICGEBMLJAU-UHFFFAOYSA-N 0 0 338.323 3.514 50 5 EHBARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000011027012 563901098 /nfs/dbraw/zinc/90/10/98/563901098.db2.gz XFHUVRDOFXUZPY-COXVUDFISA-N 0 0 335.400 3.978 50 5 EHBARN O=c1oc2ccccc2c(Nc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000013554874 563929931 /nfs/dbraw/zinc/92/99/31/563929931.db2.gz FQFDMJBXZGBQDV-UHFFFAOYSA-N 0 0 333.303 3.993 50 5 EHBARN O=C(NC1CCCC1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004660626 563963517 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COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1[N+](=O)[O-] ZINC000000175655 563987560 /nfs/dbraw/zinc/98/75/60/563987560.db2.gz LAFGVCLEDUGJIL-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN Cc1nn(-c2ccccc2)c2oc(=O)cc(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000000173058 563987587 /nfs/dbraw/zinc/98/75/87/563987587.db2.gz UYJYZODVRKHQBD-UHFFFAOYSA-N 0 0 347.330 3.862 50 5 EHBARN O=[N+]([O-])c1cccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)c1 ZINC000000181023 563987894 /nfs/dbraw/zinc/98/78/94/563987894.db2.gz DZEJKUSPYRXSSZ-UHFFFAOYSA-N 0 0 334.257 3.861 50 5 EHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000000224908 563989002 /nfs/dbraw/zinc/98/90/02/563989002.db2.gz QTDGRXIFOQZNFG-UHFFFAOYSA-N 0 0 336.141 3.714 50 5 EHBARN CC1(C)C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1=O ZINC000000269558 563989885 /nfs/dbraw/zinc/98/98/85/563989885.db2.gz QFIKZFLDORQCPL-AWEZNQCLSA-N 0 0 331.368 3.739 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C/c1ccc(F)cc1 ZINC000000296597 563990447 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O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000000467159 564000814 /nfs/dbraw/zinc/00/08/14/564000814.db2.gz DTANBZMUNHDIIU-UHFFFAOYSA-N 0 0 336.141 3.714 50 5 EHBARN Cc1cc(Nc2ccc(C)c(Cl)c2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000005251726 564001576 /nfs/dbraw/zinc/00/15/76/564001576.db2.gz BQPKURKKOYRNML-UHFFFAOYSA-N 0 0 344.762 3.584 50 5 EHBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cccc2ccccc21 ZINC000003602193 564004642 /nfs/dbraw/zinc/00/46/42/564004642.db2.gz YNAANLQSIVWIEP-UHFFFAOYSA-N 0 0 332.315 3.544 50 5 EHBARN CCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000005552312 564005263 /nfs/dbraw/zinc/00/52/63/564005263.db2.gz WSFXAEJFDATEHD-NTEUORMPSA-N 0 0 344.348 3.911 50 5 EHBARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000005646532 564006941 /nfs/dbraw/zinc/00/69/41/564006941.db2.gz NIFIYRDJULXSNH-UHFFFAOYSA-N 0 0 342.380 3.510 50 5 EHBARN COc1ccc(C)cc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000005688167 564018794 /nfs/dbraw/zinc/01/87/94/564018794.db2.gz OMBLNDWTAXHTON-UHFFFAOYSA-N 0 0 341.367 3.738 50 5 EHBARN Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cn2)cc1 ZINC000044800166 564027148 /nfs/dbraw/zinc/02/71/48/564027148.db2.gz VGQRPCBKLXEFRR-UHFFFAOYSA-N 0 0 339.307 3.936 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000044884745 564027625 /nfs/dbraw/zinc/02/76/25/564027625.db2.gz FWRIOKZSKDUUPU-MNOVXSKESA-N 0 0 346.305 3.911 50 5 EHBARN COc1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000859195 564051009 /nfs/dbraw/zinc/05/10/09/564051009.db2.gz DXBCXVDPAGMWJX-VQHVLOKHSA-N 0 0 332.743 3.909 50 5 EHBARN Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC000001056200 564054279 /nfs/dbraw/zinc/05/42/79/564054279.db2.gz ONAYJXDCXATMIU-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN Cc1ccccc1[C@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000052486462 564054289 /nfs/dbraw/zinc/05/42/89/564054289.db2.gz IPQYTQCNABHLAW-CYBMUJFWSA-N 0 0 328.397 3.954 50 5 EHBARN O=[N+]([O-])c1ccc(S[C@H]2N=C3CC=CC=C3S2)c([N+](=O)[O-])c1 ZINC000005944057 564057223 /nfs/dbraw/zinc/05/72/23/564057223.db2.gz BOILWQIMDNSCPI-ZDUSSCGKSA-N 0 0 335.366 3.910 50 5 EHBARN O=C(N[C@H]1CCSc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000012621897 564060942 /nfs/dbraw/zinc/06/09/42/564060942.db2.gz WIWYOLJCRYVABV-AWEZNQCLSA-N 0 0 332.356 3.701 50 5 EHBARN COC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000004053051 564061694 /nfs/dbraw/zinc/06/16/94/564061694.db2.gz APXALVKLDQXIDL-LLVKDONJSA-N 0 0 334.294 3.613 50 5 EHBARN O=[N+]([O-])c1cccc(C2=Nn3c(nnc3C3CCCCC3)SC2)c1 ZINC000001315491 564063108 /nfs/dbraw/zinc/06/31/08/564063108.db2.gz YXISZDNZAJEMBV-UHFFFAOYSA-N 0 0 343.412 3.592 50 5 EHBARN Cc1ccc(CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C2CC2)cc1 ZINC000084148817 564067048 /nfs/dbraw/zinc/06/70/48/564067048.db2.gz KDHMTXRMIYWFIO-UHFFFAOYSA-N 0 0 342.399 3.555 50 5 EHBARN N#CN(Cc1csc(-c2ccoc2)n1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000084344522 564067831 /nfs/dbraw/zinc/06/78/31/564067831.db2.gz RLEADFPAZXUSPD-UHFFFAOYSA-N 0 0 344.327 3.938 50 5 EHBARN Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2o1 ZINC000015538834 564067885 /nfs/dbraw/zinc/06/78/85/564067885.db2.gz VWDMXSLRXYEBKE-UHFFFAOYSA-N 0 0 331.715 3.950 50 5 EHBARN CN(C(=O)c1cncc(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000160274748 564073285 /nfs/dbraw/zinc/07/32/85/564073285.db2.gz KPMJFJSTFBUQBO-UHFFFAOYSA-N 0 0 333.347 3.933 50 5 EHBARN COc1ccc(NC(=O)c2csc3c2CCCC3)c([N+](=O)[O-])c1 ZINC000006183070 564079647 /nfs/dbraw/zinc/07/96/47/564079647.db2.gz RCBSGMWQFAFTAC-UHFFFAOYSA-N 0 0 332.381 3.796 50 5 EHBARN CC[C@H](C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006316729 564084544 /nfs/dbraw/zinc/08/45/44/564084544.db2.gz RMIOWZXAJWTTRI-LBPRGKRZSA-N 0 0 334.397 3.909 50 5 EHBARN COc1ccc2c(c1NC(=O)c1cc(C)ccc1[N+](=O)[O-])CCC2 ZINC000192108964 564090024 /nfs/dbraw/zinc/09/00/24/564090024.db2.gz RILIOVCMDIBMLR-UHFFFAOYSA-N 0 0 326.352 3.653 50 5 EHBARN Cc1sc2[nH]c(CSc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000013865648 564112106 /nfs/dbraw/zinc/11/21/06/564112106.db2.gz OVXZYPKWQQSMKD-UHFFFAOYSA-N 0 0 347.421 3.802 50 5 EHBARN O=C(OCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002190147 564120649 /nfs/dbraw/zinc/12/06/49/564120649.db2.gz QNIUGMTXWQOPIQ-UHFFFAOYSA-N 0 0 336.687 3.513 50 5 EHBARN COc1cccc(C(=O)Nc2cc(C)cc3cccnc32)c1[N+](=O)[O-] ZINC000194809526 564122210 /nfs/dbraw/zinc/12/22/10/564122210.db2.gz SMOQZAZKKKWRCL-UHFFFAOYSA-N 0 0 337.335 3.712 50 5 EHBARN C[C@H](Nc1ccc2c(c1)CCC(=O)N2C)c1cccc([N+](=O)[O-])c1 ZINC000195552413 564123723 /nfs/dbraw/zinc/12/37/23/564123723.db2.gz JYECPWWZXZQNOI-LBPRGKRZSA-N 0 0 325.368 3.677 50 5 EHBARN C[S@](=O)Cc1ccc(Cl)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000078987670 564137529 /nfs/dbraw/zinc/13/75/29/564137529.db2.gz ZWUFOEQDJYWOMI-JOCHJYFZSA-N 0 0 338.816 3.739 50 5 EHBARN CC(=O)N(Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000095402840 564139549 /nfs/dbraw/zinc/13/95/49/564139549.db2.gz WQAIPIACQUBWAP-UHFFFAOYSA-N 0 0 339.395 3.718 50 5 EHBARN CS[C@H]1CC[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000095417306 564139735 /nfs/dbraw/zinc/13/97/35/564139735.db2.gz CHZALEBHQLZJFX-ZJUUUORDSA-N 0 0 328.821 3.604 50 5 EHBARN CS[C@H]1CC[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000095417307 564139763 /nfs/dbraw/zinc/13/97/63/564139763.db2.gz CHZALEBHQLZJFX-UWVGGRQHSA-N 0 0 328.821 3.604 50 5 EHBARN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCOC1CCCCC1 ZINC000095455467 564140619 /nfs/dbraw/zinc/14/06/19/564140619.db2.gz ZLUKXNKKQAHXRV-UHFFFAOYSA-N 0 0 348.443 3.989 50 5 EHBARN O=C(Oc1ccc(F)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000002749737 564152388 /nfs/dbraw/zinc/15/23/88/564152388.db2.gz AWEDTRMHWSGANC-UHFFFAOYSA-N 0 0 340.104 3.716 50 5 EHBARN Cc1nc(C)c([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000056546232 564152743 /nfs/dbraw/zinc/15/27/43/564152743.db2.gz XFINWERNBWXQMC-SNVBAGLBSA-N 0 0 334.401 3.859 50 5 EHBARN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000057139153 564153304 /nfs/dbraw/zinc/15/33/04/564153304.db2.gz KHXCGHXLBUHZKW-SNVBAGLBSA-N 0 0 329.331 3.792 50 5 EHBARN Cc1nc(SCc2ccc([N+](=O)[O-])cc2)n(C[C@@H]2CCCO2)c1C ZINC000029739724 564153753 /nfs/dbraw/zinc/15/37/53/564153753.db2.gz OXUAKBAAJQZDAD-INIZCTEOSA-N 0 0 347.440 3.879 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc(Cl)cc2)c1 ZINC000002980004 564153939 /nfs/dbraw/zinc/15/39/39/564153939.db2.gz XNDJQDBLONFVIS-UHFFFAOYSA-N 0 0 348.163 3.669 50 5 EHBARN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Cl)c1 ZINC000057475493 564154429 /nfs/dbraw/zinc/15/44/29/564154429.db2.gz RSQOMOFYMDXLAN-LLVKDONJSA-N 0 0 348.786 3.966 50 5 EHBARN Cc1c(C(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003106371 564155143 /nfs/dbraw/zinc/15/51/43/564155143.db2.gz WCSCDUWJNXROIR-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccccc1C(C)C ZINC000003261686 564156707 /nfs/dbraw/zinc/15/67/07/564156707.db2.gz BGXHGXAIROCVAL-UHFFFAOYSA-N 0 0 343.383 3.777 50 5 EHBARN CC(C)(C)c1nnc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000058377520 564158898 /nfs/dbraw/zinc/15/88/98/564158898.db2.gz PANGKWWLBJPDIC-UHFFFAOYSA-N 0 0 345.277 3.873 50 5 EHBARN COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000003610346 564159122 /nfs/dbraw/zinc/15/91/22/564159122.db2.gz KEMJYKGERKKKID-UHFFFAOYSA-N 0 0 343.364 3.946 50 5 EHBARN O=C(N[C@@H]1COc2ccccc21)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000058729614 564159563 /nfs/dbraw/zinc/15/95/63/564159563.db2.gz XZMKNRPVAULMCM-CYBMUJFWSA-N 0 0 340.360 3.673 50 5 EHBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1cccc2ccccc21 ZINC000003896252 564159617 /nfs/dbraw/zinc/15/96/17/564159617.db2.gz USSUJOWHQCMJSB-UHFFFAOYSA-N 0 0 338.367 3.672 50 5 EHBARN O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCCO1 ZINC000008188762 564163380 /nfs/dbraw/zinc/16/33/80/564163380.db2.gz NJSJWTRUXHAZRJ-MRXNPFEDSA-N 0 0 344.392 3.864 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C1=NCCS1)c1ccccc1 ZINC000069413904 564169147 /nfs/dbraw/zinc/16/91/47/564169147.db2.gz YIGSPQLTEXMOEM-UHFFFAOYSA-N 0 0 341.392 3.653 50 5 EHBARN C[C@@H](Sc1nnc2[nH]c3ccccc3n21)c1cccc([N+](=O)[O-])c1 ZINC000009466483 564173788 /nfs/dbraw/zinc/17/37/88/564173788.db2.gz RFIBXUSDEGJKJG-SNVBAGLBSA-N 0 0 339.380 3.972 50 5 EHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1CCSc2ccccc21 ZINC000096801701 1021066719 /nfs/dbraw/zinc/06/67/19/1021066719.db2.gz ICLGDMRTIKQHHQ-QWGSZXSUSA-N 0 0 340.404 3.961 50 5 EHBARN Cn1c(/C=C(\OC(=O)c2ccccc2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000033530460 1122794728 /nfs/dbraw/zinc/79/47/28/1122794728.db2.gz XEAHNQRHVKIFJS-VBKFSLOCSA-N 0 0 349.346 3.683 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000055543395 214328579 /nfs/dbraw/zinc/32/85/79/214328579.db2.gz WXNKICHWHXDCQG-UHFFFAOYSA-N 0 0 349.793 3.710 50 5 EHBARN Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000012788236 201867938 /nfs/dbraw/zinc/86/79/38/201867938.db2.gz SHCGLZQARJOXPG-RYUDHWBXSA-N 0 0 330.306 3.754 50 5 EHBARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000012908202 201875384 /nfs/dbraw/zinc/87/53/84/201875384.db2.gz ICDVSCSRDBJBGA-MRXNPFEDSA-N 0 0 328.393 3.867 50 5 EHBARN COc1ccc(C)cc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000019199139 201999222 /nfs/dbraw/zinc/99/92/22/201999222.db2.gz DLCMKCOCOOTGON-UHFFFAOYSA-N 0 0 343.383 3.743 50 5 EHBARN COc1ccc(COc2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC000019872997 202023566 /nfs/dbraw/zinc/02/35/66/202023566.db2.gz GUDZGDDGZLKVBN-UHFFFAOYSA-N 0 0 338.157 3.945 50 5 EHBARN Cc1cc(C)cc(OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000020096625 202031398 /nfs/dbraw/zinc/03/13/98/202031398.db2.gz JVPZZXFQSIDASO-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN CCNc1nc2c3sc4nc(C)cc(C)c4c3[nH]c(=O)c2s1 ZINC000020607281 202051494 /nfs/dbraw/zinc/05/14/94/202051494.db2.gz RGDOROHMYBYNCO-UHFFFAOYSA-N 0 0 330.438 3.796 50 5 EHBARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000025106446 202127418 /nfs/dbraw/zinc/12/74/18/202127418.db2.gz SRVMTAVQPKBJIK-CYBMUJFWSA-N 0 0 328.368 3.745 50 5 EHBARN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)s1 ZINC000031010122 202201156 /nfs/dbraw/zinc/20/11/56/202201156.db2.gz KPLGXSTTWHOCHB-UHFFFAOYSA-N 0 0 339.394 3.683 50 5 EHBARN CN(Cc1nc2cc(Cl)ccc2n1C)Cc1ccccc1[N+](=O)[O-] ZINC000036398356 202324984 /nfs/dbraw/zinc/32/49/84/202324984.db2.gz GFJDITPHBRASDR-UHFFFAOYSA-N 0 0 344.802 3.767 50 5 EHBARN COCc1ccccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000044549567 202522981 /nfs/dbraw/zinc/52/29/81/202522981.db2.gz PMAYNLRELXENGW-LBPRGKRZSA-N 0 0 346.408 3.861 50 5 EHBARN O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2cccs2)o1 ZINC000048364339 202603936 /nfs/dbraw/zinc/60/39/36/202603936.db2.gz WVOZDJTYEXZPIH-UHFFFAOYSA-N 0 0 349.393 3.877 50 5 EHBARN COc1ccc(C)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O ZINC000000211422 201449062 /nfs/dbraw/zinc/44/90/62/201449062.db2.gz JKZNKRADGAIYOJ-UHFFFAOYSA-N 0 0 343.382 3.821 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccccc1Cl ZINC000000346901 201463116 /nfs/dbraw/zinc/46/31/16/201463116.db2.gz IVJSMNGAQYHTHM-ZROIWOOFSA-N 0 0 328.711 3.593 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(F)cccc1Cl ZINC000001049059 201496416 /nfs/dbraw/zinc/49/64/16/201496416.db2.gz VNUXIWJBHMOUHP-UHFFFAOYSA-N 0 0 338.722 3.577 50 5 EHBARN CCOc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000000471038 201478609 /nfs/dbraw/zinc/47/86/09/201478609.db2.gz OVZPIVKWYQNUDJ-UHFFFAOYSA-N 0 0 344.411 3.548 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(C)cc1 ZINC000001910452 201521489 /nfs/dbraw/zinc/52/14/89/201521489.db2.gz KLNKLSVMIGFDDN-UHFFFAOYSA-N 0 0 344.367 3.710 50 5 EHBARN Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003195824 201558877 /nfs/dbraw/zinc/55/88/77/201558877.db2.gz DVUSDSBWXFTRCB-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN CCOc1ccccc1N1C(=S)N=NC1c1cccc([N+](=O)[O-])c1 ZINC000002864534 201549414 /nfs/dbraw/zinc/54/94/14/201549414.db2.gz PWMHLQUEVLEVCN-UHFFFAOYSA-N 0 0 342.380 3.530 50 5 EHBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1Cc1ccccc1 ZINC000004381583 201599397 /nfs/dbraw/zinc/59/93/97/201599397.db2.gz MGLJZBJOLNZPGC-UHFFFAOYSA-N 0 0 332.315 3.544 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)ccc(C)c1C ZINC000004043000 201588243 /nfs/dbraw/zinc/58/82/43/201588243.db2.gz BSUVPRRYHWRSMG-UHFFFAOYSA-N 0 0 344.367 3.546 50 5 EHBARN CNc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000071792487 203113322 /nfs/dbraw/zinc/11/33/22/203113322.db2.gz QYMAREAOCWTCIY-FQEVSTJZSA-N 0 0 348.406 3.911 50 5 EHBARN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000071882913 203135814 /nfs/dbraw/zinc/13/58/14/203135814.db2.gz QJHJJUUKDVJZIA-SNVBAGLBSA-N 0 0 333.413 3.840 50 5 EHBARN Cc1cccc(C(=O)N[C@@H](C)c2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000071893392 203139957 /nfs/dbraw/zinc/13/99/57/203139957.db2.gz ATQUEHLORIIBNJ-NSHDSACASA-N 0 0 345.424 3.730 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCc3[nH]c4ccccc4c3C2)c([N+](=O)[O-])c1 ZINC000072305681 203198883 /nfs/dbraw/zinc/19/88/83/203198883.db2.gz BCELQKLSKNOKLF-UHFFFAOYSA-N 0 0 338.323 3.547 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Br)cc1 ZINC000000437640 206241257 /nfs/dbraw/zinc/24/12/57/206241257.db2.gz HIBRXFHGUNOQAS-UHFFFAOYSA-N 0 0 339.120 3.749 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2ccsc2)CC1 ZINC000187831503 257952930 /nfs/dbraw/zinc/95/29/30/257952930.db2.gz LMURSGMGLPJKMW-UHFFFAOYSA-N 0 0 330.409 3.605 50 5 EHBARN CC(=O)c1ccc(N2CCC[C@@H]2c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000302399963 257976447 /nfs/dbraw/zinc/97/64/47/257976447.db2.gz JUGABKUFQVZNOX-CQSZACIVSA-N 0 0 331.397 3.904 50 5 EHBARN CCN(c1ccccc1Cl)S(=O)(=O)c1ccsc1[N+](=O)[O-] ZINC000408515730 257982804 /nfs/dbraw/zinc/98/28/04/257982804.db2.gz DHPQGTHNNRTSKE-UHFFFAOYSA-N 0 0 346.817 3.525 50 5 EHBARN Cc1cccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1C ZINC000055543339 132195505 /nfs/dbraw/zinc/19/55/05/132195505.db2.gz QEYNPUMGHYJZKU-UHFFFAOYSA-N 0 0 325.412 3.534 50 5 EHBARN CC(C)[C@@H]1Oc2cc([N+](=O)[O-])ccc2N(Cc2ccccc2F)C1=O ZINC000061997489 132435534 /nfs/dbraw/zinc/43/55/34/132435534.db2.gz RORMSANYIODWED-KRWDZBQOSA-N 0 0 344.342 3.684 50 5 EHBARN CCC(CC)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000004903732 135667814 /nfs/dbraw/zinc/66/78/14/135667814.db2.gz XHVPUGHDESLXKG-UHFFFAOYSA-N 0 0 333.432 3.750 50 5 EHBARN Cc1ccc(CN(C)C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000015386269 563783854 /nfs/dbraw/zinc/78/38/54/563783854.db2.gz RKDTWRBKOYLONS-UHFFFAOYSA-N 0 0 330.409 3.654 50 5 EHBARN Cc1cccc(C(=O)NCc2coc(-c3cccs3)n2)c1[N+](=O)[O-] ZINC000010869767 563864750 /nfs/dbraw/zinc/86/47/50/563864750.db2.gz OZFCXHFXGIEZTO-UHFFFAOYSA-N 0 0 343.364 3.550 50 5 EHBARN COc1cccc(-c2cn3cc(-c4cccc([N+](=O)[O-])c4)nc3n2C)c1 ZINC000004678646 563963866 /nfs/dbraw/zinc/96/38/66/563963866.db2.gz NYPOEAAAFQUOLH-UHFFFAOYSA-N 0 0 348.362 3.924 50 5 EHBARN O=[N+]([O-])c1ccc(NCCNc2nc3ccccc3nc2Cl)cc1 ZINC000004688063 563964392 /nfs/dbraw/zinc/96/43/92/563964392.db2.gz CSTFARRQDFBIAA-UHFFFAOYSA-N 0 0 343.774 3.715 50 5 EHBARN Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000000038500 563967493 /nfs/dbraw/zinc/96/74/93/563967493.db2.gz ZVKBIVHDQDIMEE-UHFFFAOYSA-N 0 0 336.141 3.885 50 5 EHBARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000097080966 563972720 /nfs/dbraw/zinc/97/27/20/563972720.db2.gz NCPNVBOONOSIOW-LLVKDONJSA-N 0 0 340.339 3.961 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc2nc3ccccc3nc21 ZINC000004825524 563983314 /nfs/dbraw/zinc/98/33/14/563983314.db2.gz YZCIDAQKFSGLKY-UHFFFAOYSA-N 0 0 344.330 3.944 50 5 EHBARN Cc1noc(C=CNc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000100151948 563984064 /nfs/dbraw/zinc/98/40/64/563984064.db2.gz JCRHYCUAFOMQSB-VOTSOKGWSA-N 0 0 329.234 3.873 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1 ZINC000000112746 563986631 /nfs/dbraw/zinc/98/66/31/563986631.db2.gz IPWNTRGGAUHISI-UHFFFAOYSA-N 0 0 336.101 3.667 50 5 EHBARN Cc1cccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000000176767 563987706 /nfs/dbraw/zinc/98/77/06/563987706.db2.gz QTOFGWWVONUJAH-ZSOIEALJSA-N 0 0 342.738 3.901 50 5 EHBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)Sc2nc3ccccc3n21 ZINC000000240041 563989123 /nfs/dbraw/zinc/98/91/23/563989123.db2.gz ZQRMBNJTHJWGOB-AWEZNQCLSA-N 0 0 325.349 3.822 50 5 EHBARN COc1ccc(OC)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000000265784 563989883 /nfs/dbraw/zinc/98/98/83/563989883.db2.gz CEMUARYRPBHKGX-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN Cn1c(SCc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000373497 563991812 /nfs/dbraw/zinc/99/18/12/563991812.db2.gz VQJVOMLRFLWVGW-UHFFFAOYSA-N 0 0 326.381 3.683 50 5 EHBARN COc1cc(CNc2ccccc2SC)c([N+](=O)[O-])cc1OC ZINC000004981173 563993621 /nfs/dbraw/zinc/99/36/21/563993621.db2.gz WRFZZGXCFKFLJM-UHFFFAOYSA-N 0 0 334.397 3.946 50 5 EHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc2ccc(F)cc2c1 ZINC000179493367 564001993 /nfs/dbraw/zinc/00/19/93/564001993.db2.gz UTSOIRUQBTYNKQ-UHFFFAOYSA-N 0 0 339.326 3.554 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CCCC2 ZINC000000474122 564006143 /nfs/dbraw/zinc/00/61/43/564006143.db2.gz NBZGDRBZWOJWMS-CMDGGOBGSA-N 0 0 329.381 3.582 50 5 EHBARN COc1ccccc1[C@H](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000102980567 564021053 /nfs/dbraw/zinc/02/10/53/564021053.db2.gz ZPNBFCJRLBXAGN-CYBMUJFWSA-N 0 0 328.368 3.760 50 5 EHBARN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H](c1ccccc1)C(F)(F)F ZINC000103050871 564021255 /nfs/dbraw/zinc/02/12/55/564021255.db2.gz GIPGRXUQNHCGCO-GFCCVEGCSA-N 0 0 328.246 3.563 50 5 EHBARN O=C(Nc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000569687 564023519 /nfs/dbraw/zinc/02/35/19/564023519.db2.gz HZPNMGKQARJTNX-UHFFFAOYSA-N 0 0 325.368 3.837 50 5 EHBARN C[C@H](CCc1ccccc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000000610767 564031902 /nfs/dbraw/zinc/03/19/02/564031902.db2.gz NKYBUQQPAOIBNA-CYBMUJFWSA-N 0 0 329.425 3.903 50 5 EHBARN COc1ccc2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000024874630 564034189 /nfs/dbraw/zinc/03/41/89/564034189.db2.gz ADLZJTHFFLNQCF-UHFFFAOYSA-N 0 0 346.770 3.850 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1ccc(C(F)(F)F)n1 ZINC000001023779 564054139 /nfs/dbraw/zinc/05/41/39/564054139.db2.gz LARWOYGQNQFUOI-UHFFFAOYSA-N 0 0 325.168 3.818 50 5 EHBARN CC(=O)c1ccc(Oc2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])c1 ZINC000052389986 564054225 /nfs/dbraw/zinc/05/42/25/564054225.db2.gz ZEJUPFHNAGTREZ-UHFFFAOYSA-N 0 0 340.335 3.938 50 5 EHBARN Cc1cccc(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c1 ZINC000004072100 564061776 /nfs/dbraw/zinc/06/17/76/564061776.db2.gz NJVADTGOLCQKSM-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN O=[N+]([O-])c1ccc(CSc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000004243582 564068862 /nfs/dbraw/zinc/06/88/62/564068862.db2.gz YADIEFGWIISTOL-UHFFFAOYSA-N 0 0 330.325 3.672 50 5 EHBARN CCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000006138850 564076720 /nfs/dbraw/zinc/07/67/20/564076720.db2.gz WTBRUYFRHKKJAH-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN CCOc1cc2c(cc1NC(=O)c1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000012919438 564078229 /nfs/dbraw/zinc/07/82/29/564078229.db2.gz UZUQESFOKZPPSK-LLVKDONJSA-N 0 0 342.351 3.569 50 5 EHBARN COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000012932027 564078784 /nfs/dbraw/zinc/07/87/84/564078784.db2.gz ZKRLSHLJKMUEMB-OAHLLOKOSA-N 0 0 344.342 3.720 50 5 EHBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000006607901 564093220 /nfs/dbraw/zinc/09/32/20/564093220.db2.gz AWUMCQIIYIRMHU-UHFFFAOYSA-N 0 0 334.715 3.538 50 5 EHBARN Cc1c(CN2c3ccccc3NC(=O)C2(C)C)cccc1[N+](=O)[O-] ZINC000170611120 564109793 /nfs/dbraw/zinc/10/97/93/564109793.db2.gz PMJSZFILUPTYOF-UHFFFAOYSA-N 0 0 325.368 3.641 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H](C)c1ccccc1 ZINC000017068054 564116306 /nfs/dbraw/zinc/11/63/06/564116306.db2.gz PHBJTRPRKSXCIC-NSHDSACASA-N 0 0 331.397 3.651 50 5 EHBARN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000055008404 564132317 /nfs/dbraw/zinc/13/23/17/564132317.db2.gz MXKXTQFEXOGYHP-CQSZACIVSA-N 0 0 346.408 3.789 50 5 EHBARN CCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000009196643 564134288 /nfs/dbraw/zinc/13/42/88/564134288.db2.gz HKSAILBIEZFSND-UHFFFAOYSA-N 0 0 327.340 3.504 50 5 EHBARN C[C@@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000080045938 564134950 /nfs/dbraw/zinc/13/49/50/564134950.db2.gz UNRAVODFLNMUPU-LLVKDONJSA-N 0 0 349.337 3.776 50 5 EHBARN CCN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000055292391 564135009 /nfs/dbraw/zinc/13/50/09/564135009.db2.gz OAQJIHPSQGXQRN-UHFFFAOYSA-N 0 0 330.384 3.634 50 5 EHBARN CC(=O)Nc1ccc(NCc2csc([N+](=O)[O-])c2)c(Cl)c1 ZINC000078903840 564137373 /nfs/dbraw/zinc/13/73/73/564137373.db2.gz VWDWWEFCFLHOSW-UHFFFAOYSA-N 0 0 325.777 3.880 50 5 EHBARN O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000096268957 564146221 /nfs/dbraw/zinc/14/62/21/564146221.db2.gz OGWNOEKDUWUTLR-UHFFFAOYSA-N 0 0 345.830 3.566 50 5 EHBARN O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000002520607 564150377 /nfs/dbraw/zinc/15/03/77/564150377.db2.gz LOJXOGAPRXCIKT-UHFFFAOYSA-N 0 0 349.730 3.841 50 5 EHBARN Cc1ccc(C(=O)C[C@H](SCCO)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002667977 564152071 /nfs/dbraw/zinc/15/20/71/564152071.db2.gz ZYIVCZZXBSQHPD-SFHVURJKSA-N 0 0 345.420 3.943 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002745675 564152383 /nfs/dbraw/zinc/15/23/83/564152383.db2.gz OABQWJFSEIXVIU-UHFFFAOYSA-N 0 0 346.211 3.851 50 5 EHBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000002903369 564152987 /nfs/dbraw/zinc/15/29/87/564152987.db2.gz WVBIYFGWADZVQP-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN Cc1ccc([C@H]2C[C@@H](c3cccc([N+](=O)[O-])c3)n3ncnc3N2)cc1C ZINC000002919778 564153079 /nfs/dbraw/zinc/15/30/79/564153079.db2.gz UNMIVHZCUNWJSY-MSOLQXFVSA-N 0 0 349.394 3.949 50 5 EHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccc2c1OCCO2 ZINC000058155919 564157804 /nfs/dbraw/zinc/15/78/04/564157804.db2.gz MILYXHJVZILUHV-ZDUSSCGKSA-N 0 0 328.368 3.559 50 5 EHBARN Cc1nc(CCNc2ccc(Br)cc2[N+](=O)[O-])cs1 ZINC000058313790 564158574 /nfs/dbraw/zinc/15/85/74/564158574.db2.gz SOXFNZABKGPWSQ-UHFFFAOYSA-N 0 0 342.218 3.777 50 5 EHBARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncccc2[N+](=O)[O-])c1C ZINC000058415725 564159046 /nfs/dbraw/zinc/15/90/46/564159046.db2.gz FXWXCLLFBWRQBR-NSHDSACASA-N 0 0 347.396 3.501 50 5 EHBARN CNc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000008144222 564163167 /nfs/dbraw/zinc/16/31/67/564163167.db2.gz XXGXEEWYLRDLEX-LLVKDONJSA-N 0 0 339.351 3.874 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1OCc1cc(-c2ccccc2)on1 ZINC000008225160 564163640 /nfs/dbraw/zinc/16/36/40/564163640.db2.gz YRQRSLOFYJWYGG-UHFFFAOYSA-N 0 0 326.308 3.837 50 5 EHBARN O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000008286158 564163996 /nfs/dbraw/zinc/16/39/96/564163996.db2.gz FWFWWSBQJRMHBS-UHFFFAOYSA-N 0 0 340.257 3.631 50 5 EHBARN Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000008286901 564164013 /nfs/dbraw/zinc/16/40/13/564164013.db2.gz KSMICNGLQMBCDC-UHFFFAOYSA-N 0 0 339.395 3.758 50 5 EHBARN C[C@H](Sc1ccccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008487069 564165427 /nfs/dbraw/zinc/16/54/27/564165427.db2.gz FTDQTQIRDITWEP-JTQLQIEISA-N 0 0 328.353 3.893 50 5 EHBARN O=c1ccc([N+](=O)[O-])cn1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000008987664 564168437 /nfs/dbraw/zinc/16/84/37/564168437.db2.gz FUQRBJQZDVRKOY-UHFFFAOYSA-N 0 0 347.783 3.582 50 5 EHBARN CCCCN1C(=O)C2=C(CCCC2)[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000009554184 564174134 /nfs/dbraw/zinc/17/41/34/564174134.db2.gz MBBGBMJTZUCJDW-QGZVFWFLSA-N 0 0 329.400 3.846 50 5 EHBARN CCOc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000009643705 564174373 /nfs/dbraw/zinc/17/43/73/564174373.db2.gz DLAGDWUFHZHDJC-NSHDSACASA-N 0 0 342.351 3.569 50 5 EHBARN Cc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000009836414 564174679 /nfs/dbraw/zinc/17/46/79/564174679.db2.gz LWZLWDYDYZVZNK-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN CC(C)(C)n1nc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1C1CC1 ZINC000042712499 564175220 /nfs/dbraw/zinc/17/52/20/564175220.db2.gz FZLXJQGAKMLNBH-UHFFFAOYSA-N 0 0 346.362 3.815 50 5 EHBARN Cc1c(C(=O)N(C)Cc2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000010286724 564175247 /nfs/dbraw/zinc/17/52/47/564175247.db2.gz ZBPAJMAWEKSYHD-UHFFFAOYSA-N 0 0 341.392 3.785 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cccc2)cc1 ZINC000004709672 210255097 /nfs/dbraw/zinc/25/50/97/210255097.db2.gz GWKWPLXDAOBIIS-DHZHZOJOSA-N 0 0 347.374 3.715 50 5 EHBARN CCCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OC)n1 ZINC000004684938 210247557 /nfs/dbraw/zinc/24/75/57/210247557.db2.gz WRNGKZGJFNVKLR-UHFFFAOYSA-N 0 0 346.391 3.524 50 5 EHBARN O=[N+]([O-])c1ccc(NCc2ccc(Oc3cccnc3)c(F)c2)nc1 ZINC000058147212 214482397 /nfs/dbraw/zinc/48/23/97/214482397.db2.gz HMZNWYIZBKPHHL-UHFFFAOYSA-N 0 0 340.314 3.928 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccccc1Cl ZINC000004652538 210238383 /nfs/dbraw/zinc/23/83/83/210238383.db2.gz BRPQXCCLJZHFOF-RMKNXTFCSA-N 0 0 332.743 3.909 50 5 EHBARN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000003958959 210095764 /nfs/dbraw/zinc/09/57/64/210095764.db2.gz JGHYMEQBKOYARK-UHFFFAOYSA-N 0 0 328.368 3.910 50 5 EHBARN Cc1ccc2oc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)cc2n1 ZINC000069374524 215392618 /nfs/dbraw/zinc/39/26/18/215392618.db2.gz KHPDHBWHWSLPLX-GFCCVEGCSA-N 0 0 339.351 3.878 50 5 EHBARN Cc1nn([C@H](C)C(=O)Nc2cc(Cl)ccc2C)c(C)c1[N+](=O)[O-] ZINC000001068585 209707458 /nfs/dbraw/zinc/70/74/58/209707458.db2.gz CVSWNQMDVISKQE-LLVKDONJSA-N 0 0 336.779 3.570 50 5 EHBARN Cc1cc(Br)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000514214 209641643 /nfs/dbraw/zinc/64/16/43/209641643.db2.gz IPBGJKVWMMRRGB-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 ZINC000000447704 209607084 /nfs/dbraw/zinc/60/70/84/209607084.db2.gz KISMRXVDPUCCFH-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000000370683 209556253 /nfs/dbraw/zinc/55/62/53/209556253.db2.gz WDOZEBWOEAUZAI-QGZVFWFLSA-N 0 0 328.368 3.550 50 5 EHBARN CCOc1cc(C=O)cc(Cl)c1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000312855 209530089 /nfs/dbraw/zinc/53/00/89/209530089.db2.gz LRJQCVVCNPQOCF-UHFFFAOYSA-N 0 0 349.726 3.679 50 5 EHBARN CC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000000069122 209399649 /nfs/dbraw/zinc/39/96/49/209399649.db2.gz PJJKONSBDIATEG-UHFFFAOYSA-N 0 0 340.792 3.650 50 5 EHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@]1(C)CC1(Cl)Cl ZINC000022191931 212281498 /nfs/dbraw/zinc/28/14/98/212281498.db2.gz WXONVWMQBXLJNB-ZANVPECISA-N 0 0 331.199 3.698 50 5 EHBARN Cc1ccc(C)c(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)c1 ZINC000019959414 212090502 /nfs/dbraw/zinc/09/05/02/212090502.db2.gz QLKOQOGNORMESC-UHFFFAOYSA-N 0 0 340.386 3.803 50 5 EHBARN Cc1nn(-c2ccccc2)c(Cl)c1COc1cccnc1[N+](=O)[O-] ZINC000019315741 212015512 /nfs/dbraw/zinc/01/55/12/212015512.db2.gz YJXJCFIMWFWWOR-UHFFFAOYSA-N 0 0 344.758 3.716 50 5 EHBARN CSc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000015744399 211848864 /nfs/dbraw/zinc/84/88/64/211848864.db2.gz BOFURKKQZAJJKF-GFCCVEGCSA-N 0 0 330.409 3.850 50 5 EHBARN C[C@@H](Sc1nnnn1-c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000015521441 211829103 /nfs/dbraw/zinc/82/91/03/211829103.db2.gz ZPCVIEJUXBSGDR-SNVBAGLBSA-N 0 0 345.359 3.563 50 5 EHBARN O=C(CSc1nnc(-c2cccs2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000012248889 211330079 /nfs/dbraw/zinc/33/00/79/211330079.db2.gz KBUKROORQBGLRZ-UHFFFAOYSA-N 0 0 347.377 3.681 50 5 EHBARN C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009368946 211077438 /nfs/dbraw/zinc/07/74/38/211077438.db2.gz ASDGEFDXHVYVMK-IWERZKIRSA-N 0 0 330.384 3.543 50 5 EHBARN O=C(NCCCOC1CCCC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000095456090 218399229 /nfs/dbraw/zinc/39/92/29/218399229.db2.gz HGFUYRIPQUYORC-UHFFFAOYSA-N 0 0 341.795 3.719 50 5 EHBARN Cc1[nH]nc2c1[C@H](c1ccc([N+](=O)[O-])cc1)N(c1ccc(C)cc1)C2=O ZINC000005818279 210542669 /nfs/dbraw/zinc/54/26/69/210542669.db2.gz SKNWPRZWIIRZFE-SFHVURJKSA-N 0 0 348.362 3.685 50 5 EHBARN Cc1ccccc1Cc1nnc(COc2ccc([N+](=O)[O-])cc2F)o1 ZINC000096471963 218850477 /nfs/dbraw/zinc/85/04/77/218850477.db2.gz XPEQOENWQXRKIX-UHFFFAOYSA-N 0 0 343.314 3.595 50 5 EHBARN CC(C)c1onc(C(=O)Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000004937505 210329770 /nfs/dbraw/zinc/32/97/70/210329770.db2.gz XRFKGWOPYGICIA-UHFFFAOYSA-N 0 0 343.261 3.977 50 5 EHBARN COc1ccc(C(=O)NCc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000000036029 208554280 /nfs/dbraw/zinc/55/42/80/208554280.db2.gz LKYCSTQAVDGPES-UHFFFAOYSA-N 0 0 336.347 3.687 50 5 biogenic EHBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003502926 208562306 /nfs/dbraw/zinc/56/23/06/208562306.db2.gz YNXLBABGKDPSOR-LLVKDONJSA-N 0 0 345.351 3.914 50 5 EHBARN COc1ccc(OCCOC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004799787 210280501 /nfs/dbraw/zinc/28/05/01/210280501.db2.gz ZYZYZADCIAPUFP-UHFFFAOYSA-N 0 0 346.339 3.539 50 5 EHBARN Cc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000004755822 210271610 /nfs/dbraw/zinc/27/16/10/210271610.db2.gz VTPRLRPNQWVSDN-UHFFFAOYSA-N 0 0 340.379 3.590 50 5 EHBARN COc1cc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1O ZINC000007133156 258052798 /nfs/dbraw/zinc/05/27/98/258052798.db2.gz SDUJTTDFCLMEMI-WDZFZDKYSA-N 0 0 345.742 3.922 50 5 EHBARN O=C1COc2ccc(Sc3ccc(Cl)cc3[N+](=O)[O-])cc2N1 ZINC000012878309 258055650 /nfs/dbraw/zinc/05/56/50/258055650.db2.gz NWAOJZOSMLENBV-UHFFFAOYSA-N 0 0 336.756 3.730 50 5 EHBARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004660686 135665295 /nfs/dbraw/zinc/66/52/95/135665295.db2.gz MEFFEMPVOVKYLL-ZBFHGGJFSA-N 0 0 345.443 3.894 50 5 EHBARN CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]2CCO[C@H]21 ZINC000230221925 535080480 /nfs/dbraw/zinc/08/04/80/535080480.db2.gz BJXVEENVLOXDSH-OASPWFOLSA-N 0 0 330.306 3.839 50 5 EHBARN COc1ccc(C)cc1[C@@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000032806355 563740907 /nfs/dbraw/zinc/74/09/07/563740907.db2.gz KMYBBLOOUJQRBO-GFCCVEGCSA-N 0 0 326.356 3.733 50 5 EHBARN COc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000096415142 563951081 /nfs/dbraw/zinc/95/10/81/563951081.db2.gz LNCMJGHZGWLCGU-CYBMUJFWSA-N 0 0 341.367 3.625 50 5 EHBARN O=C(CCC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004677871 563963612 /nfs/dbraw/zinc/96/36/12/563963612.db2.gz OGNJWOZOKWYBKI-UHFFFAOYSA-N 0 0 345.443 3.604 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097113223 563967898 /nfs/dbraw/zinc/96/78/98/563967898.db2.gz QJTLIGMXTJAFRP-ZDUSSCGKSA-N 0 0 349.778 3.730 50 5 EHBARN CC(=C/c1ccccc1)/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000033292746 563973105 /nfs/dbraw/zinc/97/31/05/563973105.db2.gz YHKYPNUYZHSYSW-VHDJGTGISA-N 0 0 334.331 3.886 50 5 EHBARN Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1C ZINC000000088003 563974643 /nfs/dbraw/zinc/97/46/43/563974643.db2.gz PQLQFAXGSVMKDA-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN COc1ccc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000000116110 563986563 /nfs/dbraw/zinc/98/65/63/563986563.db2.gz NCRMALGUUCUOTN-RMKNXTFCSA-N 0 0 342.351 3.572 50 5 EHBARN O=C(Nc1ccc2c3c(cccc31)C(=O)N2)c1ccccc1[N+](=O)[O-] ZINC000000127468 563986887 /nfs/dbraw/zinc/98/68/87/563986887.db2.gz HTLNNKYCOAYMRF-UHFFFAOYSA-N 0 0 333.303 3.566 50 5 EHBARN Cc1cccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1C ZINC000000199778 563988276 /nfs/dbraw/zinc/98/82/76/563988276.db2.gz WNWCHVDYUBESRO-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN Cn1c(SCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000000221594 563988808 /nfs/dbraw/zinc/98/88/08/563988808.db2.gz FUZXUPYLGNXPKT-UHFFFAOYSA-N 0 0 326.381 3.683 50 5 EHBARN Cc1cc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000000287864 563990191 /nfs/dbraw/zinc/99/01/91/563990191.db2.gz FSLXILYYIPGLOA-UHFFFAOYSA-N 0 0 334.397 3.629 50 5 EHBARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000000375210 563991803 /nfs/dbraw/zinc/99/18/03/563991803.db2.gz RDEIEDQPGAXOBO-UHFFFAOYSA-N 0 0 349.561 3.541 50 5 EHBARN O=C(Nc1cccc2nsnc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000373736 563991808 /nfs/dbraw/zinc/99/18/08/563991808.db2.gz BRFLJXZUCCJOLQ-UHFFFAOYSA-N 0 0 334.744 3.505 50 5 EHBARN Cc1ccc(Nc2nc(NCCC(C)C)nc(N)c2[N+](=O)[O-])cc1C ZINC000005215529 564001116 /nfs/dbraw/zinc/00/11/16/564001116.db2.gz SUDKWZVCASCWTK-UHFFFAOYSA-N 0 0 344.419 3.785 50 5 EHBARN Cc1ccc(-c2ncnc3ncn(-c4ccccc4[N+](=O)[O-])c32)cc1 ZINC000000493919 564017710 /nfs/dbraw/zinc/01/77/10/564017710.db2.gz ZJRIAUUYRZXLGW-UHFFFAOYSA-N 0 0 331.335 3.699 50 5 EHBARN C[C@@H]1CCC[C@H](NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000104724800 564023985 /nfs/dbraw/zinc/02/39/85/564023985.db2.gz NGYPEHIGJOVDMW-MDZLAQPJSA-N 0 0 340.807 3.568 50 5 EHBARN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000609259 564027115 /nfs/dbraw/zinc/02/71/15/564027115.db2.gz VWDWUIKITOHBTG-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN O=c1ccc(-c2ccccc2Cl)nn1Cc1ccc([N+](=O)[O-])cc1 ZINC000044889630 564027643 /nfs/dbraw/zinc/02/76/43/564027643.db2.gz YHEIVPDAEAESKZ-UHFFFAOYSA-N 0 0 341.754 3.520 50 5 EHBARN CCC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000045797847 564028667 /nfs/dbraw/zinc/02/86/67/564028667.db2.gz VQXIPBDXEGTXCZ-QGZVFWFLSA-N 0 0 348.424 3.556 50 5 EHBARN Cc1ccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000048353631 564031408 /nfs/dbraw/zinc/03/14/08/564031408.db2.gz QVKVVJDDOUCXIL-CZUORRHYSA-N 0 0 335.404 3.620 50 5 EHBARN O=C(NCC1(c2ccccc2)CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000025250337 564053980 /nfs/dbraw/zinc/05/39/80/564053980.db2.gz CYLQYJPPXMKYPX-UHFFFAOYSA-N 0 0 328.368 3.820 50 5 EHBARN COc1ccc(C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1[N+](=O)[O-] ZINC000001054465 564054212 /nfs/dbraw/zinc/05/42/12/564054212.db2.gz JUFOPNUEBWSMMK-LLVKDONJSA-N 0 0 344.342 3.724 50 5 EHBARN COc1ccc(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000001054463 564054226 /nfs/dbraw/zinc/05/42/26/564054226.db2.gz JUFOPNUEBWSMMK-NSHDSACASA-N 0 0 344.342 3.724 50 5 EHBARN Cc1cc(NCc2ccccc2[N+](=O)[O-])ccc1C(=O)NC(C)C ZINC000083140540 564061640 /nfs/dbraw/zinc/06/16/40/564061640.db2.gz RJGHWHAZHLVVTC-UHFFFAOYSA-N 0 0 327.384 3.654 50 5 EHBARN Cc1c(COC(=O)[C@@H]2C[C@@H]2c2ccccc2F)cccc1[N+](=O)[O-] ZINC000084041594 564065880 /nfs/dbraw/zinc/06/58/80/564065880.db2.gz GBAOXHLCKHDLIR-HUUCEWRRSA-N 0 0 329.327 3.889 50 5 EHBARN O=C(OCc1csc([N+](=O)[O-])c1)c1ccc2ccccc2c1O ZINC000084595065 564068893 /nfs/dbraw/zinc/06/88/93/564068893.db2.gz FUEPEGLYYZERNH-UHFFFAOYSA-N 0 0 329.333 3.872 50 5 EHBARN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 ZINC000032516810 564072388 /nfs/dbraw/zinc/07/23/88/564072388.db2.gz GGWAMVFJVXMWMR-UHFFFAOYSA-N 0 0 339.395 3.862 50 5 EHBARN Cc1nc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)n(C)c2)cs1 ZINC000012860542 564075707 /nfs/dbraw/zinc/07/57/07/564075707.db2.gz JGJCTNYNBUYIRW-UHFFFAOYSA-N 0 0 342.380 3.618 50 5 EHBARN CCOc1cc2c(cc1NC(=O)c1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000012919441 564078214 /nfs/dbraw/zinc/07/82/14/564078214.db2.gz UZUQESFOKZPPSK-NSHDSACASA-N 0 0 342.351 3.569 50 5 EHBARN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000012936798 564079335 /nfs/dbraw/zinc/07/93/35/564079335.db2.gz KBUYKRLGJXXPCU-GOSISDBHSA-N 0 0 340.379 3.889 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CC=C(c2cccs2)CC1 ZINC000117724517 564082548 /nfs/dbraw/zinc/08/25/48/564082548.db2.gz CWIDDQYBLNGYLG-UHFFFAOYSA-N 0 0 328.393 3.515 50 5 EHBARN O=C(N=c1[nH]c2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001900274 564089168 /nfs/dbraw/zinc/08/91/68/564089168.db2.gz RJVOSSOGDUDYNO-UHFFFAOYSA-N 0 0 333.756 3.532 50 5 EHBARN CC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006667464 564095565 /nfs/dbraw/zinc/09/55/65/564095565.db2.gz NHSVKGHNIWPVCK-IBGZPJMESA-N 0 0 335.363 3.570 50 5 EHBARN CC[C@@H](C)c1csc(N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000065528670 564106914 /nfs/dbraw/zinc/10/69/14/564106914.db2.gz LBPPXSPTHSTTLU-SNVBAGLBSA-N 0 0 349.412 3.850 50 5 EHBARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2cccc([N+](=O)[O-])c2)S1 ZINC000071284144 564110858 /nfs/dbraw/zinc/11/08/58/564110858.db2.gz RQCITJJMKBKCSS-ZDUSSCGKSA-N 0 0 332.385 3.552 50 5 EHBARN CCc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000017068034 564116361 /nfs/dbraw/zinc/11/63/61/564116361.db2.gz WRDFGVXYHSUPRP-UHFFFAOYSA-N 0 0 331.397 3.975 50 5 EHBARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000002199877 564120735 /nfs/dbraw/zinc/12/07/35/564120735.db2.gz JBKLFPZSJFTORY-UHFFFAOYSA-N 0 0 343.770 3.702 50 5 EHBARN O=C1c2ccccc2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1C1CC1 ZINC000007889712 564124439 /nfs/dbraw/zinc/12/44/39/564124439.db2.gz LGKIZYYJAWGXIG-INIZCTEOSA-N 0 0 343.770 3.977 50 5 EHBARN O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)cc(C(F)(F)F)c1 ZINC000161339311 564125224 /nfs/dbraw/zinc/12/52/24/564125224.db2.gz WHMQXEBTGUMAIJ-UHFFFAOYSA-N 0 0 336.229 3.726 50 5 EHBARN C[C@H](C(=O)NCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000390835684 564139038 /nfs/dbraw/zinc/13/90/38/564139038.db2.gz UWLAJTXQBDWPBR-NSHDSACASA-N 0 0 341.392 3.624 50 5 EHBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cc2ccccc2s1 ZINC000095468086 564141166 /nfs/dbraw/zinc/14/11/66/564141166.db2.gz LEJKIOPEFSYDRY-UHFFFAOYSA-N 0 0 338.344 3.606 50 5 EHBARN CC(C)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002743576 564152352 /nfs/dbraw/zinc/15/23/52/564152352.db2.gz OVOJYGFCJOBYJD-UHFFFAOYSA-N 0 0 343.339 3.808 50 5 EHBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1 ZINC000002904143 564152990 /nfs/dbraw/zinc/15/29/90/564152990.db2.gz IVVTVTNPCAONNJ-UHFFFAOYSA-N 0 0 345.405 3.935 50 5 EHBARN C[C@@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000003189123 564155743 /nfs/dbraw/zinc/15/57/43/564155743.db2.gz BOAXHUFLNOCEAZ-ZDUSSCGKSA-N 0 0 337.335 3.991 50 5 EHBARN O=[N+]([O-])c1cc(CSc2nc3ccccc3[nH]2)c2c(c1)COCO2 ZINC000003523429 564158693 /nfs/dbraw/zinc/15/86/93/564158693.db2.gz WVNFKOVFZVJRIC-UHFFFAOYSA-N 0 0 343.364 3.630 50 5 EHBARN O=C(CN1CCCSc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000032511346 564161593 /nfs/dbraw/zinc/16/15/93/564161593.db2.gz AKSWFTSTVCWITO-UHFFFAOYSA-N 0 0 343.408 3.536 50 5 EHBARN Cc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008207168 564163554 /nfs/dbraw/zinc/16/35/54/564163554.db2.gz QQSWKCJLSYDGKH-UHFFFAOYSA-N 0 0 339.395 3.758 50 5 EHBARN Cc1cc(=O)oc2cc(Oc3nc4sccn4c3[N+](=O)[O-])ccc12 ZINC000008308855 564164159 /nfs/dbraw/zinc/16/41/59/564164159.db2.gz XPDUBLSUAQRBKC-UHFFFAOYSA-N 0 0 343.320 3.511 50 5 EHBARN CCCCNc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000008586821 564165863 /nfs/dbraw/zinc/16/58/63/564165863.db2.gz IBJTXIIBGIAFMK-UHFFFAOYSA-N 0 0 339.355 3.919 50 5 EHBARN CCN(CC)c1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] ZINC000008587170 564165894 /nfs/dbraw/zinc/16/58/94/564165894.db2.gz PSUCCRDQSNFJTH-UHFFFAOYSA-N 0 0 339.355 3.553 50 5 EHBARN CCn1c(C)nnc1SCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000069527885 564170192 /nfs/dbraw/zinc/17/01/92/564170192.db2.gz 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Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000000067886 209398864 /nfs/dbraw/zinc/39/88/64/209398864.db2.gz QLQZMZMJJLZTDF-UHFFFAOYSA-N 0 0 338.407 3.998 50 5 EHBARN CC[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1noc(C)n1 ZINC000080679588 217324687 /nfs/dbraw/zinc/32/46/87/217324687.db2.gz XIEHJHZRAHKJSE-SECBINFHSA-N 0 0 330.266 3.868 50 5 EHBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccs1)c1ccccn1 ZINC000011916559 211267434 /nfs/dbraw/zinc/26/74/34/211267434.db2.gz VMNVKMOBQUEOMS-UHFFFAOYSA-N 0 0 339.376 3.898 50 5 EHBARN CCOC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000011224973 211209218 /nfs/dbraw/zinc/20/92/18/211209218.db2.gz WGOBXMPWHXJVKY-UHFFFAOYSA-N 0 0 345.376 3.724 50 5 EHBARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000009315614 211065868 /nfs/dbraw/zinc/06/58/68/211065868.db2.gz IWEICMJYQNMZLU-UHFFFAOYSA-N 0 0 328.752 3.721 50 5 EHBARN Cc1csc([C@H]2CCCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000095393672 218324687 /nfs/dbraw/zinc/32/46/87/218324687.db2.gz TUAXOWODKBFQPB-CYBMUJFWSA-N 0 0 348.384 4.000 50 5 EHBARN O=[N+]([O-])c1cnc(NCc2ccccc2Cn2ccnc2)c(Cl)c1 ZINC000095398898 218331943 /nfs/dbraw/zinc/33/19/43/218331943.db2.gz QZUDFYPPHUUIHR-UHFFFAOYSA-N 0 0 343.774 3.500 50 5 EHBARN CCSc1cccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000005241205 210421338 /nfs/dbraw/zinc/42/13/38/210421338.db2.gz MOXPSAZTNAMJEB-UHFFFAOYSA-N 0 0 332.381 3.968 50 5 EHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F ZINC000005093234 210387699 /nfs/dbraw/zinc/38/76/99/210387699.db2.gz ZESJXBKVZOSFGO-UHFFFAOYSA-N 0 0 332.184 3.543 50 5 EHBARN Nc1nc(NC2CCCCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000005068337 210382148 /nfs/dbraw/zinc/38/21/48/210382148.db2.gz FMOXJSZHULXYMW-UHFFFAOYSA-N 0 0 346.366 3.594 50 5 EHBARN CCNc1cc(Nc2ccc(C)c(C)c2)c([N+](=O)[O-])c2nonc21 ZINC000005024783 210365948 /nfs/dbraw/zinc/36/59/48/210365948.db2.gz IBVWDBVPOQIIGP-UHFFFAOYSA-N 0 0 327.344 3.923 50 5 EHBARN Cn1c(=O)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c2ccccc21 ZINC000004866560 210307523 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Cc1cccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c1 ZINC000000352665 135649067 /nfs/dbraw/zinc/64/90/67/135649067.db2.gz CQWOEEDLFCEROU-UHFFFAOYSA-N 0 0 332.315 3.857 50 5 EHBARN Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)n1 ZINC000000183526 563254796 /nfs/dbraw/zinc/25/47/96/563254796.db2.gz XHXUWKBDJQUIQF-UHFFFAOYSA-N 0 0 330.343 3.902 50 5 EHBARN Cc1nc(C)c([C@@H](C)N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000071883149 563374928 /nfs/dbraw/zinc/37/49/28/563374928.db2.gz YHYREFCJZFKFHD-IDVQTMNDSA-N 0 0 345.424 3.901 50 5 EHBARN O=C(CCCC(=O)c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000032919411 563822847 /nfs/dbraw/zinc/82/28/47/563822847.db2.gz ZGLXAMPZXWQSND-UHFFFAOYSA-N 0 0 330.315 3.726 50 5 EHBARN COc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000000352667 563842627 /nfs/dbraw/zinc/84/26/27/563842627.db2.gz NJNDWJPTIGUIOR-UHFFFAOYSA-N 0 0 348.314 3.557 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1O[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000096449279 563953305 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O=C(NCCn1ccc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000000427813 563998784 /nfs/dbraw/zinc/99/87/84/563998784.db2.gz BZTGXXFWWJWERA-UHFFFAOYSA-N 0 0 343.770 3.633 50 5 EHBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1Br ZINC000000436987 563999329 /nfs/dbraw/zinc/99/93/29/563999329.db2.gz FSBSUYACYLQBLM-UHFFFAOYSA-N 0 0 325.118 3.511 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccnc2)o1 ZINC000000443986 563999554 /nfs/dbraw/zinc/99/95/54/563999554.db2.gz UHLSGTORZFEEIU-UHFFFAOYSA-N 0 0 339.307 3.511 50 5 EHBARN Cc1c(C(=O)NC(=S)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000000455987 563999742 /nfs/dbraw/zinc/99/97/42/563999742.db2.gz PCSPMQFOEJHOKI-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN COc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1 ZINC000000466791 564000793 /nfs/dbraw/zinc/00/07/93/564000793.db2.gz IGSSFVMGIMSMMD-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN COc1ccc(CCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000004359532 564005033 /nfs/dbraw/zinc/00/50/33/564005033.db2.gz 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564053932 /nfs/dbraw/zinc/05/39/32/564053932.db2.gz XPMYMXWFNGHYRT-UHFFFAOYSA-N 0 0 334.401 3.695 50 5 EHBARN Cn1cccc1[C@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000084321778 564067769 /nfs/dbraw/zinc/06/77/69/564067769.db2.gz MHZZZTBOIXIFDU-GOSISDBHSA-N 0 0 341.411 3.620 50 5 EHBARN Cc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C(C)C ZINC000015544516 564067926 /nfs/dbraw/zinc/06/79/26/564067926.db2.gz WPMWHTKPDCWJPG-UHFFFAOYSA-N 0 0 335.381 3.794 50 5 EHBARN COC(=O)c1cccc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000013000860 564086346 /nfs/dbraw/zinc/08/63/46/564086346.db2.gz BFLMITDWSPZLDB-UHFFFAOYSA-N 0 0 348.786 3.667 50 5 EHBARN O=[N+]([O-])c1cnc(SCc2ccc(Cl)cc2)nc1NC1CC1 ZINC000026691068 564087642 /nfs/dbraw/zinc/08/76/42/564087642.db2.gz WXELWZZJPFDZMD-UHFFFAOYSA-N 0 0 336.804 3.905 50 5 EHBARN O=[N+]([O-])c1ccccc1CSCc1csc(-c2ncccn2)n1 ZINC000075584406 564089690 /nfs/dbraw/zinc/08/96/90/564089690.db2.gz QOEZXDDANWBKSD-UHFFFAOYSA-N 0 0 344.421 3.942 50 5 EHBARN COc1ccc(NCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl ZINC000006507354 564091164 /nfs/dbraw/zinc/09/11/64/564091164.db2.gz RFMNWAAPAQIGOJ-UHFFFAOYSA-N 0 0 349.774 3.616 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1nccs1 ZINC000169987377 564104547 /nfs/dbraw/zinc/10/45/47/564104547.db2.gz LIXMSIZMMZICCB-ZDUSSCGKSA-N 0 0 335.360 3.558 50 5 EHBARN Nc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000007141307 564105427 /nfs/dbraw/zinc/10/54/27/564105427.db2.gz VOSQZMCPYSYCRC-UHFFFAOYSA-N 0 0 341.150 3.841 50 5 EHBARN O=[N+]([O-])c1cc(Cl)c(N2CCC(n3ccnc3)CC2)c(Cl)c1 ZINC000170593168 564108942 /nfs/dbraw/zinc/10/89/42/564108942.db2.gz UDWXHEIKRVBIJF-UHFFFAOYSA-N 0 0 341.198 3.940 50 5 EHBARN CNC(=O)c1ccc(N(CCC(C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000170599279 564109274 /nfs/dbraw/zinc/10/92/74/564109274.db2.gz JGSQRCPSVDCPKD-UHFFFAOYSA-N 0 0 333.432 3.750 50 5 EHBARN Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc([N+](=O)[O-])s4)C3)nc2c1 ZINC000170606607 564109655 /nfs/dbraw/zinc/10/96/55/564109655.db2.gz 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ZINC000031801333 564159882 /nfs/dbraw/zinc/15/98/82/564159882.db2.gz IHYLWWPLTDRBNQ-UHFFFAOYSA-N 0 0 348.362 3.921 50 5 EHBARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000008562283 564165744 /nfs/dbraw/zinc/16/57/44/564165744.db2.gz AIJOXRBQVRAUKB-LLVKDONJSA-N 0 0 334.759 3.963 50 5 EHBARN CC(C)(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000069845420 564172460 /nfs/dbraw/zinc/17/24/60/564172460.db2.gz HAIAOPQTTDOZJF-UHFFFAOYSA-N 0 0 332.787 3.956 50 5 EHBARN COc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000077402065 564176708 /nfs/dbraw/zinc/17/67/08/564176708.db2.gz FUWGRJOGHLCUTP-UHFFFAOYSA-N 0 0 338.367 3.616 50 5 EHBARN Nc1ccc2sc(Sc3ccc([N+](=O)[O-])cc3C=O)nc2c1 ZINC000013574234 568421567 /nfs/dbraw/zinc/42/15/67/568421567.db2.gz RXPOWDABANIVMW-UHFFFAOYSA-N 0 0 331.378 3.750 50 5 EHBARN C[C@H](NC(=O)N1CCC(=C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000952880731 1137483181 /nfs/dbraw/zinc/48/31/81/1137483181.db2.gz XCCDKPSLOXNFHZ-JTQLQIEISA-N 0 0 325.315 3.612 50 5 EHBARN C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000054827587 214256653 /nfs/dbraw/zinc/25/66/53/214256653.db2.gz JVRCVMKTPILZEX-QMMMGPOBSA-N 0 0 340.166 3.788 50 5 EHBARN CCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000004682360 210245935 /nfs/dbraw/zinc/24/59/35/210245935.db2.gz XSIXWMNRUJKWSO-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN O=c1oc2ccccc2c(N2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000004565436 210222015 /nfs/dbraw/zinc/22/20/15/210222015.db2.gz CLODJGJLKYWWIT-CQSZACIVSA-N 0 0 336.347 3.695 50 5 EHBARN Cc1ccc(NC=C2N=C(C=Cc3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000100142750 219092436 /nfs/dbraw/zinc/09/24/36/219092436.db2.gz OJRKAUUCUACOEN-KQOXKNJESA-N 0 0 349.346 3.825 50 5 EHBARN Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000004479479 210198900 /nfs/dbraw/zinc/19/89/00/210198900.db2.gz XVWNUYTUJXLDKW-UHFFFAOYSA-N 0 0 338.323 3.514 50 5 EHBARN Cc1ccc(C2=Nc3ncnn3[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1C ZINC000101185853 219118861 /nfs/dbraw/zinc/11/88/61/219118861.db2.gz MGOBIWYEAMRIER-SFHVURJKSA-N 0 0 347.378 3.859 50 5 EHBARN COc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 ZINC000004182810 210141051 /nfs/dbraw/zinc/14/10/51/210141051.db2.gz YFKPOHUPVSNDPW-UHFFFAOYSA-N 0 0 343.338 3.950 50 5 EHBARN N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccccc1Cl ZINC000004141477 210130868 /nfs/dbraw/zinc/13/08/68/210130868.db2.gz GEGAVNVLYFXZMR-UHFFFAOYSA-N 0 0 343.726 3.726 50 5 EHBARN CCNc1cc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c2nonc21 ZINC000004093897 210118644 /nfs/dbraw/zinc/11/86/44/210118644.db2.gz WPTQSOQYNTZYCD-UHFFFAOYSA-N 0 0 333.735 3.960 50 5 EHBARN Cc1cccc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1[N+](=O)[O-] ZINC000003412651 210031309 /nfs/dbraw/zinc/03/13/09/210031309.db2.gz UKFCZRDCFGUWSH-UHFFFAOYSA-N 0 0 341.363 3.868 50 5 EHBARN Cc1cc(C)c(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000003333898 210010832 /nfs/dbraw/zinc/01/08/32/210010832.db2.gz HNVJFYWXJBSOPQ-UHFFFAOYSA-N 0 0 341.363 3.868 50 5 EHBARN O=C(CCC(=O)c1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000003318505 210005796 /nfs/dbraw/zinc/00/57/96/210005796.db2.gz WBWAFNWCCSHJNR-UHFFFAOYSA-N 0 0 347.754 3.955 50 5 EHBARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000003195180 209976611 /nfs/dbraw/zinc/97/66/11/209976611.db2.gz LVWVNNWHCFOOJW-UHFFFAOYSA-N 0 0 325.349 3.971 50 5 aggregator EHBARN COc1ccc([N+](=O)[O-])c(C(=O)N([C@H](C)c2ccco2)C2CC2)c1 ZINC000067753680 215203138 /nfs/dbraw/zinc/20/31/38/215203138.db2.gz BHUZAMNHVBLDGD-LLVKDONJSA-N 0 0 330.340 3.562 50 5 EHBARN CCCCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002952703 209944446 /nfs/dbraw/zinc/94/44/46/209944446.db2.gz RPSDASYJDPKOND-UHFFFAOYSA-N 0 0 342.351 3.804 50 5 EHBARN Cc1ccc(Cl)c(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000002859836 209929189 /nfs/dbraw/zinc/92/91/89/209929189.db2.gz BHMXYPOWXHDEKJ-UHFFFAOYSA-N 0 0 336.687 3.684 50 5 EHBARN Cc1cc(C)cc(OCc2nc(Cc3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000002470861 209855222 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CCOc1ccccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000005464147 564004377 /nfs/dbraw/zinc/00/43/77/564004377.db2.gz ASNJOKQTCXBMHE-UHFFFAOYSA-N 0 0 332.381 3.968 50 5 EHBARN O=C(COc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000005573329 564005756 /nfs/dbraw/zinc/00/57/56/564005756.db2.gz DBVKNEXWEXNFDZ-UHFFFAOYSA-N 0 0 340.257 3.631 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(C2CCCCC2)s1 ZINC000000476232 564006182 /nfs/dbraw/zinc/00/61/82/564006182.db2.gz MZABITDJBJDMKU-UHFFFAOYSA-N 0 0 346.412 3.675 50 5 EHBARN O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Br ZINC000000578743 564024297 /nfs/dbraw/zinc/02/42/97/564024297.db2.gz HENWVQFAXAUMAP-UHFFFAOYSA-N 0 0 330.141 3.968 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000000582029 564024569 /nfs/dbraw/zinc/02/45/69/564024569.db2.gz VVCGVXUEGRFEDV-UHFFFAOYSA-N 0 0 342.376 3.857 50 5 EHBARN O=C(Nc1ccn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000024747315 564033599 /nfs/dbraw/zinc/03/35/99/564033599.db2.gz 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O=C(NCCSc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002161200 564120132 /nfs/dbraw/zinc/12/01/32/564120132.db2.gz INQWCLGDFGSOHU-UHFFFAOYSA-N 0 0 336.800 3.770 50 5 EHBARN CC(C)C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000012930764 564135713 /nfs/dbraw/zinc/13/57/13/564135713.db2.gz QQFIUNDGNAZYBZ-MRXNPFEDSA-N 0 0 342.395 3.877 50 5 EHBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000007951784 564136110 /nfs/dbraw/zinc/13/61/10/564136110.db2.gz RQELCHTZNBXUQJ-UHFFFAOYSA-N 0 0 337.738 3.706 50 5 EHBARN N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 ZINC000013426747 564136388 /nfs/dbraw/zinc/13/63/88/564136388.db2.gz IQXCKRKEZCTTQG-SDQBBNPISA-N 0 0 349.755 3.647 50 5 EHBARN COc1ccc(N2CC(c3ccc([N+](=O)[O-])cc3)=NC2=S)cc1 ZINC000002543576 564150599 /nfs/dbraw/zinc/15/05/99/564150599.db2.gz NXPXVUQAIWHHGN-UHFFFAOYSA-N 0 0 327.365 3.745 50 5 EHBARN Cc1nc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2s1 ZINC000002646013 564151823 /nfs/dbraw/zinc/15/18/23/564151823.db2.gz 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EHBARN O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000058159094 214486183 /nfs/dbraw/zinc/48/61/83/214486183.db2.gz VQBRSWGWQHVMGN-UHFFFAOYSA-N 0 0 348.771 3.952 50 5 EHBARN Cc1cc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)ccc1[N+](=O)[O-] ZINC000004611116 210232169 /nfs/dbraw/zinc/23/21/69/210232169.db2.gz GZNDOIPJROFHGB-UHFFFAOYSA-N 0 0 346.211 3.851 50 5 EHBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004525583 210213299 /nfs/dbraw/zinc/21/32/99/210213299.db2.gz BNKYWKIKHRZMHH-VFZGTOFNSA-N 0 0 343.408 3.635 50 5 EHBARN Cc1cc(Nc2ccc(C(C)C)cc2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000004331231 210173776 /nfs/dbraw/zinc/17/37/76/210173776.db2.gz LMQTWCXUPAMOQG-UHFFFAOYSA-N 0 0 338.371 3.746 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(Cl)c1 ZINC000003394902 210026551 /nfs/dbraw/zinc/02/65/51/210026551.db2.gz QFUYWVHRWKQFQB-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN Cc1c(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000067662410 215176915 /nfs/dbraw/zinc/17/69/15/215176915.db2.gz YTZRATORDFGIPF-UKRRQHHQSA-N 0 0 329.331 3.720 50 5 EHBARN CSc1ccc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000067966830 215262634 /nfs/dbraw/zinc/26/26/34/215262634.db2.gz ZNTKIAYGQFDQCO-NSHDSACASA-N 0 0 331.397 3.545 50 5 EHBARN COc1c(Cl)cccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067989656 215267757 /nfs/dbraw/zinc/26/77/57/215267757.db2.gz VCRAKLIAPIUWLD-UHFFFAOYSA-N 0 0 342.685 3.787 50 5 EHBARN Cc1cccc(-c2nc(COc3ccc([N+](=O)[O-])cc3F)no2)c1 ZINC000040116532 213268521 /nfs/dbraw/zinc/26/85/21/213268521.db2.gz ZZEISCNDQFYNFR-UHFFFAOYSA-N 0 0 329.287 3.671 50 5 EHBARN Cc1c(C(=O)OCc2coc(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000039603742 213241531 /nfs/dbraw/zinc/24/15/31/213241531.db2.gz KZLADYKAXCLUJL-UHFFFAOYSA-N 0 0 338.319 3.915 50 5 EHBARN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1c(F)ccc(F)c1F ZINC000187814645 236307292 /nfs/dbraw/zinc/30/72/92/236307292.db2.gz YGITWMQAQDUUOJ-UHFFFAOYSA-N 0 0 347.252 3.813 50 5 EHBARN O=C(Nc1ncccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000384270 209562871 /nfs/dbraw/zinc/56/28/71/209562871.db2.gz LJMZUGXZJVFKMC-UHFFFAOYSA-N 0 0 349.346 3.821 50 5 EHBARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000331154 209539208 /nfs/dbraw/zinc/53/92/08/209539208.db2.gz HMWIIZZFDNXGPS-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN O=C(Nc1ncc(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000000191452 209475493 /nfs/dbraw/zinc/47/54/93/209475493.db2.gz FCVULNLXGURWSR-UHFFFAOYSA-N 0 0 325.349 3.971 50 5 EHBARN C[C@@H](CNc1ncccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000024529031 212424473 /nfs/dbraw/zinc/42/44/73/212424473.db2.gz YRINNOQYUDFHLX-JTQLQIEISA-N 0 0 347.325 3.950 50 5 EHBARN COc1ccc(Cc2cc(Br)c(N)c([N+](=O)[O-])c2)cc1 ZINC000074937722 216538858 /nfs/dbraw/zinc/53/88/58/216538858.db2.gz QZORVWPTRBWLPT-UHFFFAOYSA-N 0 0 337.173 3.539 50 5 EHBARN O=[N+]([O-])c1cnc(N[C@H](Cc2ccccn2)c2ccccc2)s1 ZINC000225696608 241991365 /nfs/dbraw/zinc/99/13/65/241991365.db2.gz MDEODUNSFHJWDV-CQSZACIVSA-N 0 0 326.381 3.842 50 5 EHBARN Cc1ccc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000239619515 242958666 /nfs/dbraw/zinc/95/86/66/242958666.db2.gz BFFMTHRPSUOETO-UHFFFAOYSA-N 0 0 349.184 3.847 50 5 EHBARN CCCNc1ccc(-c2noc(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000020894426 212183714 /nfs/dbraw/zinc/18/37/14/212183714.db2.gz BEAIJIYIBBRDBX-UHFFFAOYSA-N 0 0 325.328 3.529 50 5 EHBARN CCNc1ccc(-c2nc(-c3ccccc3OC)no2)cc1[N+](=O)[O-] ZINC000020897710 212183291 /nfs/dbraw/zinc/18/32/91/212183291.db2.gz UMBGSBQIHKCGCG-UHFFFAOYSA-N 0 0 340.339 3.752 50 5 EHBARN O=c1c2cnc3nc4ccccc4n3c2ccn1-c1cccc(Cl)c1 ZINC000019959363 212090871 /nfs/dbraw/zinc/09/08/71/212090871.db2.gz XHIZUCCWUWPHGJ-UHFFFAOYSA-N 0 0 346.777 3.840 50 5 EHBARN CCOC(=O)c1ccnc(N2CCC[C@@H]2c2ccsc2)c1[N+](=O)[O-] ZINC000077928959 217000409 /nfs/dbraw/zinc/00/04/09/217000409.db2.gz JMVDNTIZAAYFPJ-CYBMUJFWSA-N 0 0 347.396 3.570 50 5 EHBARN CCOC(=O)c1ccnc(N2CCC[C@H]2c2ccsc2)c1[N+](=O)[O-] ZINC000077928960 217000989 /nfs/dbraw/zinc/00/09/89/217000989.db2.gz JMVDNTIZAAYFPJ-ZDUSSCGKSA-N 0 0 347.396 3.570 50 5 EHBARN CC(C)[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000019309418 212014333 /nfs/dbraw/zinc/01/43/33/212014333.db2.gz GMTDQPXKTKFXQD-MRXNPFEDSA-N 0 0 329.356 3.570 50 5 EHBARN Cc1nc([C@H](C)NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000089709053 217831385 /nfs/dbraw/zinc/83/13/85/217831385.db2.gz OGNKWTZXTYFGLW-JTQLQIEISA-N 0 0 348.428 3.655 50 5 EHBARN Cc1nc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000012881300 211475171 /nfs/dbraw/zinc/47/51/71/211475171.db2.gz MUBHGWGFOPURJI-UHFFFAOYSA-N 0 0 331.715 3.950 50 5 EHBARN C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000011603731 211224469 /nfs/dbraw/zinc/22/44/69/211224469.db2.gz UJWWWLKCDLHLME-NSHDSACASA-N 0 0 349.337 3.552 50 5 EHBARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000010964476 211197208 /nfs/dbraw/zinc/19/72/08/211197208.db2.gz HLHAGHNVNKNBHH-CQSZACIVSA-N 0 0 332.356 3.701 50 5 EHBARN COc1ccc(OC)c(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000009577824 211104193 /nfs/dbraw/zinc/10/41/93/211104193.db2.gz KAMXOUNERYCMHG-UHFFFAOYSA-N 0 0 348.380 3.586 50 5 EHBARN CCOC(=O)CSCc1cc(=O)oc2ccc3ccccc3c12 ZINC000007506418 210809516 /nfs/dbraw/zinc/80/95/16/210809516.db2.gz LUCYKZUTSCHFSE-UHFFFAOYSA-N 0 0 328.389 3.743 50 5 EHBARN Cc1ccc(Nc2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005055122 210376724 /nfs/dbraw/zinc/37/67/24/210376724.db2.gz JKRYAMLNIZBCDS-UHFFFAOYSA-N 0 0 342.403 3.764 50 5 EHBARN COc1ccc(-c2ccc(C(=O)NC3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000005034600 210370159 /nfs/dbraw/zinc/37/01/59/210370159.db2.gz RQHNXLZTWNBLOW-UHFFFAOYSA-N 0 0 330.340 3.536 50 5 EHBARN Cc1c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cccc1[N+](=O)[O-] ZINC000005047143 210374944 /nfs/dbraw/zinc/37/49/44/210374944.db2.gz KCBCTDYYAITEOD-UHFFFAOYSA-N 0 0 326.268 3.528 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000004902566 210317406 /nfs/dbraw/zinc/31/74/06/210317406.db2.gz GYPARRBQFZLPPW-LLVKDONJSA-N 0 0 334.759 3.963 50 5 EHBARN O=C(CCSc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1 ZINC000004838007 210293908 /nfs/dbraw/zinc/29/39/08/210293908.db2.gz CSAZHDHVWMTJDR-UHFFFAOYSA-N 0 0 343.817 3.826 50 5 EHBARN CNc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000004756108 210272240 /nfs/dbraw/zinc/27/22/40/210272240.db2.gz ZAWSEKSBONWNCF-UHFFFAOYSA-N 0 0 334.401 3.643 50 5 EHBARN O=[N+]([O-])c1cc(F)ccc1N1CCC(Nc2ccc(F)cc2)CC1 ZINC000048308864 132427411 /nfs/dbraw/zinc/42/74/11/132427411.db2.gz CNCVREBBAXVCKW-UHFFFAOYSA-N 0 0 333.338 3.954 50 5 EHBARN CN(Cc1cnn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000032923334 563825300 /nfs/dbraw/zinc/82/53/00/563825300.db2.gz POPJCSQKPFPBDM-UHFFFAOYSA-N 0 0 340.358 3.615 50 5 EHBARN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000097163076 563968467 /nfs/dbraw/zinc/96/84/67/563968467.db2.gz RZDXCIRAROXXPO-OAHLLOKOSA-N 0 0 343.387 3.612 50 5 EHBARN O=C(Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])s1 ZINC000000084260 563975037 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COc1ccc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc1OC ZINC000000447551 563999515 /nfs/dbraw/zinc/99/95/15/563999515.db2.gz JOTVAAJUSDAHTI-UHFFFAOYSA-N 0 0 341.323 3.637 50 5 EHBARN CCSc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000005241625 564001514 /nfs/dbraw/zinc/00/15/14/564001514.db2.gz WLPSAHNUFPBNFD-UHFFFAOYSA-N 0 0 332.381 3.968 50 5 EHBARN O=C(NCc1ccccc1F)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005630698 564006801 /nfs/dbraw/zinc/00/68/01/564006801.db2.gz UCPYSDGVHKQASK-UHFFFAOYSA-N 0 0 340.310 3.924 50 5 EHBARN O=[N+]([O-])c1cc(Cl)ccc1OCc1nc(-c2cccs2)no1 ZINC000024416654 564018955 /nfs/dbraw/zinc/01/89/55/564018955.db2.gz KLAIOIWYWVKIAN-UHFFFAOYSA-N 0 0 337.744 3.939 50 5 EHBARN O=[N+]([O-])c1cccnc1N1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000107589902 564027002 /nfs/dbraw/zinc/02/70/02/564027002.db2.gz KICWBQWOKLUMMF-DZGCQCFKSA-N 0 0 347.440 3.924 50 5 EHBARN CC(=O)c1ccc(Sc2nnc(C3CC3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000048253020 564030498 /nfs/dbraw/zinc/03/04/98/564030498.db2.gz HISYOXJMZRSWCT-UHFFFAOYSA-N 0 0 344.396 3.752 50 5 EHBARN CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000000613662 564031858 /nfs/dbraw/zinc/03/18/58/564031858.db2.gz DLNYIJMWCBFBDS-QGZVFWFLSA-N 0 0 341.342 3.822 50 5 EHBARN CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000001007714 564053954 /nfs/dbraw/zinc/05/39/54/564053954.db2.gz WSFXAEJFDATEHD-ZROIWOOFSA-N 0 0 344.348 3.911 50 5 EHBARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000012936794 564079307 /nfs/dbraw/zinc/07/93/07/564079307.db2.gz KBUYKRLGJXXPCU-SFHVURJKSA-N 0 0 340.379 3.889 50 5 EHBARN O=[N+]([O-])c1cc(F)ccc1NCc1ccc(Cn2cccn2)cc1 ZINC000012939919 564079463 /nfs/dbraw/zinc/07/94/63/564079463.db2.gz UINNWYBZWGJKHK-UHFFFAOYSA-N 0 0 326.331 3.591 50 5 EHBARN Cc1c(CSc2nccn2Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000075137810 564080591 /nfs/dbraw/zinc/08/05/91/564080591.db2.gz NJERVPMNXBYYOA-UHFFFAOYSA-N 0 0 340.408 3.835 50 5 EHBARN C[C@H]1CCCCN1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000028494130 564081628 /nfs/dbraw/zinc/08/16/28/564081628.db2.gz MHNDSVDZPFEKQY-HNNXBMFYSA-N 0 0 345.443 3.990 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1C[S@@](=O)Cc1ccccc1Cl ZINC000191208062 564084868 /nfs/dbraw/zinc/08/48/68/564084868.db2.gz RCNLSURPQAERPT-QFIPXVFZSA-N 0 0 339.800 3.706 50 5 EHBARN CSc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000006788102 564097782 /nfs/dbraw/zinc/09/77/82/564097782.db2.gz FPAGCESTGXNROJ-UHFFFAOYSA-N 0 0 346.412 3.881 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(C)c(C)c1 ZINC000007222845 564105900 /nfs/dbraw/zinc/10/59/00/564105900.db2.gz AVRUBVKRFVRQBB-CYBMUJFWSA-N 0 0 343.383 3.659 50 5 EHBARN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2N1 ZINC000089930016 564115497 /nfs/dbraw/zinc/11/54/97/564115497.db2.gz NGJHGERSGCJOHK-LLVKDONJSA-N 0 0 329.331 3.585 50 5 EHBARN Cc1nc2c(cccc2C(=O)N2CCCc3c([N+](=O)[O-])cccc32)o1 ZINC000348348240 564117420 /nfs/dbraw/zinc/11/74/20/564117420.db2.gz JPBUIZQLKJYGQQ-UHFFFAOYSA-N 0 0 337.335 3.637 50 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O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1cccs1)Cc1cccs1 ZINC000008328972 564164496 /nfs/dbraw/zinc/16/44/96/564164496.db2.gz RKBRCSLRGDJXMT-UHFFFAOYSA-N 0 0 347.421 3.889 50 5 EHBARN Cc1nc2ccc(Nc3nc4sccn4c3[N+](=O)[O-])cc2s1 ZINC000008376586 564164802 /nfs/dbraw/zinc/16/48/02/564164802.db2.gz XGDDQZGMKZWKAA-UHFFFAOYSA-N 0 0 331.382 3.966 50 5 EHBARN Cc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000008413030 564165179 /nfs/dbraw/zinc/16/51/79/564165179.db2.gz GVGOLLDVZMMDMU-UHFFFAOYSA-N 0 0 343.358 3.895 50 5 EHBARN CC(C)Nc1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] ZINC000008587166 564165907 /nfs/dbraw/zinc/16/59/07/564165907.db2.gz QQGURESFSFOBFX-UHFFFAOYSA-N 0 0 325.328 3.527 50 5 EHBARN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2)cc1SC ZINC000069489849 564169880 /nfs/dbraw/zinc/16/98/80/564169880.db2.gz ZIBYTNVWUXXWDG-NSHDSACASA-N 0 0 346.408 3.816 50 5 EHBARN O=[N+]([O-])c1ccc(NCc2ccc(Cn3cccn3)cc2)c(F)c1 ZINC000042097022 564174645 /nfs/dbraw/zinc/17/46/45/564174645.db2.gz YJVQQPSFFFAZJW-UHFFFAOYSA-N 0 0 326.331 3.591 50 5 EHBARN COc1cc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1O ZINC000051123247 1021191349 /nfs/dbraw/zinc/19/13/49/1021191349.db2.gz SDUJTTDFCLMEMI-IZZDOVSWSA-N 0 0 345.742 3.922 50 5 EHBARN Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000002810652 1129837496 /nfs/dbraw/zinc/83/74/96/1129837496.db2.gz DVKDYLWDHPSXRK-UHFFFAOYSA-N 0 0 340.379 3.800 50 5 EHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004718956 210258570 /nfs/dbraw/zinc/25/85/70/210258570.db2.gz UGWBTBHUVDJFGY-UHSVVUDUSA-N 0 0 328.412 3.930 50 5 EHBARN O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3ccco3)o2)cc1 ZINC000054913229 214260029 /nfs/dbraw/zinc/26/00/29/214260029.db2.gz SCDWOARQZOAAGX-UHFFFAOYSA-N 0 0 347.352 3.799 50 5 EHBARN O=[N+]([O-])c1ccc(OCCCSc2nnc(-c3ccc[nH]3)o2)cc1 ZINC000054915503 214260116 /nfs/dbraw/zinc/26/01/16/214260116.db2.gz GHVJASILKHCHMX-UHFFFAOYSA-N 0 0 346.368 3.534 50 5 EHBARN Cc1nc(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])oc1C ZINC000055236688 214292457 /nfs/dbraw/zinc/29/24/57/214292457.db2.gz WQUXCSMTYLYTCD-UHFFFAOYSA-N 0 0 341.776 3.584 50 5 EHBARN CCCCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000056028652 214353953 /nfs/dbraw/zinc/35/39/53/214353953.db2.gz GMROPKNWDOFTJJ-UHFFFAOYSA-N 0 0 329.356 3.729 50 5 EHBARN Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])c1 ZINC000004652558 210238914 /nfs/dbraw/zinc/23/89/14/210238914.db2.gz VFJKLWMCDLGVCL-UHFFFAOYSA-N 0 0 346.211 3.851 50 5 EHBARN O=C(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000004622433 210233732 /nfs/dbraw/zinc/23/37/32/210233732.db2.gz ACAJHUURCZYYMO-UHFFFAOYSA-N 0 0 337.360 3.767 50 5 EHBARN CCOc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000004580507 210225873 /nfs/dbraw/zinc/22/58/73/210225873.db2.gz AWKVJDILCNNSKN-UHFFFAOYSA-N 0 0 344.367 3.573 50 5 EHBARN Cn1c2ccc(Cl)cc2s/c1=N/C(=O)c1ccccc1[N+](=O)[O-] ZINC000100815582 219108136 /nfs/dbraw/zinc/10/81/36/219108136.db2.gz GYTFQMXNDDJMRF-BMRADRMJSA-N 0 0 347.783 3.543 50 5 EHBARN Cc1ccc(-c2noc([C@H](C)Oc3cccnc3[N+](=O)[O-])n2)cc1F ZINC000048331497 213922613 /nfs/dbraw/zinc/92/26/13/213922613.db2.gz QHQCWSVBNWMCQK-JTQLQIEISA-N 0 0 344.302 3.627 50 5 EHBARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1[N+](=O)[O-] ZINC000004138214 210129943 /nfs/dbraw/zinc/12/99/43/210129943.db2.gz LHISNWCXUHKCSF-UHFFFAOYSA-N 0 0 349.390 3.885 50 5 EHBARN O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2)c2nonc21 ZINC000004126581 210127739 /nfs/dbraw/zinc/12/77/39/210127739.db2.gz ZEJBYFGPGCVHTI-UHFFFAOYSA-N 0 0 335.117 3.637 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cn1)C(c1ccccc1)c1ccccc1 ZINC000004045891 210107136 /nfs/dbraw/zinc/10/71/36/210107136.db2.gz OAHDADQHLVOJTK-UHFFFAOYSA-N 0 0 333.347 3.760 50 5 EHBARN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066512815 215049359 /nfs/dbraw/zinc/04/93/59/215049359.db2.gz HTIMAEZYOBNRRW-CYBMUJFWSA-N 0 0 346.408 3.649 50 5 EHBARN O=C(Oc1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003466445 210048641 /nfs/dbraw/zinc/04/86/41/210048641.db2.gz GTURDWLFGLJWBT-UHFFFAOYSA-N 0 0 338.275 3.875 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1scnc1-c1ccccc1 ZINC000102725847 219225476 /nfs/dbraw/zinc/22/54/76/219225476.db2.gz WSZZUTAFHMTLNH-UHFFFAOYSA-N 0 0 339.376 3.900 50 5 EHBARN O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(-n4cncn4)cc3)nc21 ZINC000068124588 215280682 /nfs/dbraw/zinc/28/06/82/215280682.db2.gz PCNHLLSCDUNQLP-XBXARRHUSA-N 0 0 343.346 3.894 50 5 EHBARN O=C(Oc1cccc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002187402 209828073 /nfs/dbraw/zinc/82/80/73/209828073.db2.gz WYKPSINHJUWDHK-UHFFFAOYSA-N 0 0 338.275 3.875 50 5 in-vitro EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1Cl ZINC000002069219 209816392 /nfs/dbraw/zinc/81/63/92/209816392.db2.gz IVJSMNGAQYHTHM-NTEUORMPSA-N 0 0 328.711 3.593 50 5 EHBARN CCCCOc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000001777461 209792652 /nfs/dbraw/zinc/79/26/52/209792652.db2.gz CQJGBEMXSGVFDA-UHFFFAOYSA-N 0 0 344.367 3.791 50 5 EHBARN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000040060396 213256462 /nfs/dbraw/zinc/25/64/62/213256462.db2.gz AIRNNDYXRTZATO-UHFFFAOYSA-N 0 0 341.367 3.872 50 5 EHBARN CC(C)COC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000000217735 209490872 /nfs/dbraw/zinc/49/08/72/209490872.db2.gz WUXKJKFUFZMJHF-UHFFFAOYSA-N 0 0 342.351 3.660 50 5 EHBARN COC(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)cc([N+](=O)[O-])c1 ZINC000000060817 209394745 /nfs/dbraw/zinc/39/47/45/209394745.db2.gz NWWGMMIAMJQNSN-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)c1ccccn1 ZINC000000047033 209389680 /nfs/dbraw/zinc/38/96/80/209389680.db2.gz VJWLOBJMCLNKRW-UHFFFAOYSA-N 0 0 333.347 3.837 50 5 EHBARN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000193384548 240141755 /nfs/dbraw/zinc/14/17/55/240141755.db2.gz NYJYBFSVESLVPC-GFCCVEGCSA-N 0 0 338.367 3.702 50 5 EHBARN O=[N+]([O-])c1cnc(N[C@@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000225697765 241990573 /nfs/dbraw/zinc/99/05/73/241990573.db2.gz ALXFUZDTALAMKR-QMMMGPOBSA-N 0 0 334.184 3.504 50 5 EHBARN Cc1cc(OCC(=O)N(c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000021587218 212233101 /nfs/dbraw/zinc/23/31/01/212233101.db2.gz GWRHNSRMUVCVRP-UHFFFAOYSA-N 0 0 328.368 3.724 50 5 EHBARN Cc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000016293063 211893916 /nfs/dbraw/zinc/89/39/16/211893916.db2.gz KJOZEDIQKQGWSH-UHFFFAOYSA-N 0 0 342.380 3.510 50 5 EHBARN O=[N+]([O-])c1c(N[C@H]2CCC[C@H](C(F)(F)F)C2)nc2ccccn21 ZINC000012742205 211443117 /nfs/dbraw/zinc/44/31/17/211443117.db2.gz AOVVOPYQESGNAQ-UWVGGRQHSA-N 0 0 328.294 3.776 50 5 EHBARN CCc1sc(-c2nnc(COc3cccnc3[N+](=O)[O-])o2)cc1C ZINC000009157692 211047216 /nfs/dbraw/zinc/04/72/16/211047216.db2.gz MYIMZMQSUPTZJI-UHFFFAOYSA-N 0 0 346.368 3.551 50 5 EHBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)Nc1ccccc1 ZINC000008769645 211004205 /nfs/dbraw/zinc/00/42/05/211004205.db2.gz HGUVNBLEACMJMD-UHFFFAOYSA-N 0 0 341.352 3.757 50 5 EHBARN CS[C@@H]1CC[C@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000095417309 218356929 /nfs/dbraw/zinc/35/69/29/218356929.db2.gz CHZALEBHQLZJFX-VHSXEESVSA-N 0 0 328.821 3.604 50 5 EHBARN COc1ccccc1CNc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-] ZINC000008587109 210970309 /nfs/dbraw/zinc/97/03/09/210970309.db2.gz CGQOSZIPGZZCFQ-UHFFFAOYSA-N 0 0 340.339 3.574 50 5 EHBARN CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)n1 ZINC000005054766 210377806 /nfs/dbraw/zinc/37/78/06/210377806.db2.gz ADZCCJXQWVQBGU-MRVPVSSYSA-N 0 0 336.783 3.574 50 5 EHBARN CCNc1cc(Nc2cc(C)ccc2C)c([N+](=O)[O-])c2nonc21 ZINC000005024456 210365244 /nfs/dbraw/zinc/36/52/44/210365244.db2.gz JNDRCJSGZXCCGA-UHFFFAOYSA-N 0 0 327.344 3.923 50 5 EHBARN O=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)S1 ZINC000005016929 210362050 /nfs/dbraw/zinc/36/20/50/210362050.db2.gz GYNARUZKSWRZKG-GHXNOFRVSA-N 0 0 332.362 3.647 50 5 EHBARN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCCC1)N1CCCCC1 ZINC000004998495 210354291 /nfs/dbraw/zinc/35/42/91/210354291.db2.gz ZHXIVHXQPATALB-UHFFFAOYSA-N 0 0 331.416 3.601 50 5 EHBARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000004966023 210342093 /nfs/dbraw/zinc/34/20/93/210342093.db2.gz NKZMBPAMSWVQNT-UHFFFAOYSA-N 0 0 336.351 3.650 50 5 EHBARN COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000004892995 210314040 /nfs/dbraw/zinc/31/40/40/210314040.db2.gz GKMWSUKNHAWFDM-RMKNXTFCSA-N 0 0 342.351 3.572 50 5 EHBARN NC(=O)c1ccc(CNc2cccc3ccsc32)c([N+](=O)[O-])c1 ZINC000408513630 257984311 /nfs/dbraw/zinc/98/43/11/257984311.db2.gz IXNBMCXIVQJEGX-UHFFFAOYSA-N 0 0 327.365 3.521 50 5 EHBARN Cc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000000464780 258048565 /nfs/dbraw/zinc/04/85/65/258048565.db2.gz KZOCPBJTCCQSNV-UHFFFAOYSA-N 0 0 338.407 3.998 50 5 EHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)OCC(Cl)(Cl)Cl ZINC000002172813 258049470 /nfs/dbraw/zinc/04/94/70/258049470.db2.gz XNSOFJJBBPEBMA-UHFFFAOYSA-N 0 0 331.514 3.653 50 5 EHBARN COc1ccccc1C1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000004272105 135663232 /nfs/dbraw/zinc/66/32/32/135663232.db2.gz XFWTTYDGWHAYGZ-UHFFFAOYSA-N 0 0 340.379 3.800 50 5 EHBARN Cc1nc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000058018550 564157146 /nfs/dbraw/zinc/15/71/46/564157146.db2.gz IXWQZSQVOWSJLQ-MRVPVSSYSA-N 0 0 339.804 3.813 50 5 EHBARN COc1cc(CO)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006661446 563576613 /nfs/dbraw/zinc/57/66/13/563576613.db2.gz BDYOBWYMNCJPFM-UHFFFAOYSA-N 0 0 343.257 3.907 50 5 EHBARN Cc1ccc(-c2nc3cc4nc5ccccc5[n+]([O-])c4cc3[nH]2)cc1 ZINC000048524495 563930607 /nfs/dbraw/zinc/93/06/07/563930607.db2.gz CRXLVUJRBUAIRD-UHFFFAOYSA-N 0 0 326.359 3.873 50 5 EHBARN O=C1OC(c2ccccc2F)=N/C1=C\C=C\c1cccc([N+](=O)[O-])c1 ZINC000013785409 563933217 /nfs/dbraw/zinc/93/32/17/563933217.db2.gz NFHOJPSZUPPXQG-FEHKTJPBSA-N 0 0 338.294 3.635 50 5 EHBARN CC(C)(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000096411746 563950711 /nfs/dbraw/zinc/95/07/11/563950711.db2.gz YQELUCHVSUDTID-UHFFFAOYSA-N 0 0 327.384 3.612 50 5 EHBARN O=C(NCCc1c[nH]c2ccccc12)OCc1ccc([N+](=O)[O-])cc1 ZINC000000033171 563967744 /nfs/dbraw/zinc/96/77/44/563967744.db2.gz YGFKKATUXMVCSZ-UHFFFAOYSA-N 0 0 339.351 3.545 50 5 biogenic,in-vitro EHBARN Cc1cc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097142435 563968209 /nfs/dbraw/zinc/96/82/09/563968209.db2.gz GJJUBUVFUYTLKI-RYUDHWBXSA-N 0 0 343.383 3.594 50 5 EHBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1cccs1 ZINC000000178446 563987752 /nfs/dbraw/zinc/98/77/52/563987752.db2.gz BDDMBDVSYYMDQQ-KPKJPENVSA-N 0 0 334.740 3.654 50 5 EHBARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000000180279 563987819 /nfs/dbraw/zinc/98/78/19/563987819.db2.gz MFFROSRTJYWFLH-INIZCTEOSA-N 0 0 332.356 3.821 50 5 EHBARN Cc1ccc(F)cc1N1C(=O)CS[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000424001 563998417 /nfs/dbraw/zinc/99/84/17/563998417.db2.gz QFSGGCGLMCXQHL-INIZCTEOSA-N 0 0 332.356 3.821 50 5 EHBARN CCCC(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000444694 563999600 /nfs/dbraw/zinc/99/96/00/563999600.db2.gz DSYFZQDZZHVZFG-UHFFFAOYSA-N 0 0 327.340 3.586 50 5 EHBARN Cc1nn(CCOc2c(Cl)cccc2Cl)c(C)c1[N+](=O)[O-] ZINC000005346673 564002773 /nfs/dbraw/zinc/00/27/73/564002773.db2.gz QVSGRZRKGJOTLS-UHFFFAOYSA-N 0 0 330.171 3.794 50 5 EHBARN CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000017360995 564011809 /nfs/dbraw/zinc/01/18/09/564011809.db2.gz HHRYYKAMGTUUCG-UHFFFAOYSA-N 0 0 328.368 3.779 50 5 EHBARN CCC(=O)N(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000005710646 564020715 /nfs/dbraw/zinc/02/07/15/564020715.db2.gz JWODXVSMJLUHGY-UHFFFAOYSA-N 0 0 332.743 3.832 50 5 EHBARN CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000105970842 564025375 /nfs/dbraw/zinc/02/53/75/564025375.db2.gz BDFHOFBLHJDZBI-UHFFFAOYSA-N 0 0 347.758 3.767 50 5 EHBARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000047248320 564025979 /nfs/dbraw/zinc/02/59/79/564025979.db2.gz GMHQFGHREYXNBA-OCCSQVGLSA-N 0 0 339.376 3.567 50 5 EHBARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000044686757 564027113 /nfs/dbraw/zinc/02/71/13/564027113.db2.gz WIUOBHLMEHTHDT-MRXNPFEDSA-N 0 0 342.395 3.869 50 5 EHBARN O=Cc1cn(-c2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000000732218 564033976 /nfs/dbraw/zinc/03/39/76/564033976.db2.gz XFMALEMAJOQTQH-UHFFFAOYSA-N 0 0 327.727 3.913 50 5 EHBARN Cc1cc(=O)oc2cc(OCCc3ccccc3)c([N+](=O)[O-])cc12 ZINC000000937211 564053323 /nfs/dbraw/zinc/05/33/23/564053323.db2.gz HUDAXSMAUADIAV-UHFFFAOYSA-N 0 0 325.320 3.631 50 5 EHBARN NC(=O)c1ccc(CNc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 ZINC000025252096 564053971 /nfs/dbraw/zinc/05/39/71/564053971.db2.gz LZYQAHHDAYYUSR-UHFFFAOYSA-N 0 0 340.166 3.613 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1OCc1nc2ccccc2n1C(F)F ZINC000031674216 564057923 /nfs/dbraw/zinc/05/79/23/564057923.db2.gz ODJTYOZPEVYOPS-UHFFFAOYSA-N 0 0 349.293 3.927 50 5 EHBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccc(O)cc1 ZINC000263586197 564061531 /nfs/dbraw/zinc/06/15/31/564061531.db2.gz RDHJGHAIKZYEOF-UHFFFAOYSA-N 0 0 347.330 3.652 50 5 biogenic EHBARN C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087323150 564069077 /nfs/dbraw/zinc/06/90/77/564069077.db2.gz VNAIYLAPABJCKI-CJNGLKHVSA-N 0 0 344.436 3.994 50 5 EHBARN COc1ccc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC000088364111 564079023 /nfs/dbraw/zinc/07/90/23/564079023.db2.gz VTOBSPGNWWWKKO-UHFFFAOYSA-N 0 0 341.367 3.502 50 5 EHBARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000075117704 564080343 /nfs/dbraw/zinc/08/03/43/564080343.db2.gz LFRHJOPVEIJZEF-OAHLLOKOSA-N 0 0 328.368 3.940 50 5 EHBARN CC[C@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1cc(C)cc(C)n1 ZINC000016400447 564084782 /nfs/dbraw/zinc/08/47/82/564084782.db2.gz OMYIABCHZNTHEE-HNNXBMFYSA-N 0 0 343.383 3.711 50 5 EHBARN NC(=O)c1ccc(CSC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000016548397 564089817 /nfs/dbraw/zinc/08/98/17/564089817.db2.gz MQEMMIUSZRSXGZ-UHFFFAOYSA-N 0 0 346.452 3.896 50 5 EHBARN Oc1ccc2c(c1)oc1c2nc2n[nH]cc2c1-c1ccc2c(c1)OCO2 ZINC000096220848 564092416 /nfs/dbraw/zinc/09/24/16/564092416.db2.gz YJJMKGZVAIPEJX-UHFFFAOYSA-N 0 0 345.314 3.959 50 5 biogenic EHBARN Cc1c(C(=O)Nc2c(F)cccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000065565110 564107078 /nfs/dbraw/zinc/10/70/78/564107078.db2.gz IEDBMZWGBLPEGZ-UHFFFAOYSA-N 0 0 343.358 3.895 50 5 EHBARN O=[N+]([O-])c1ncccc1OCc1csc(-c2ccc(F)cc2)n1 ZINC000007545255 564110239 /nfs/dbraw/zinc/11/02/39/564110239.db2.gz IKORGFFRMFCDPR-UHFFFAOYSA-N 0 0 331.328 3.831 50 5 EHBARN O=C(NCc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000016741956 564112979 /nfs/dbraw/zinc/11/29/79/564112979.db2.gz GYKYITLTYXIYNH-UHFFFAOYSA-N 0 0 339.376 3.648 50 5 EHBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CCCCCCC1 ZINC000002512876 564118033 /nfs/dbraw/zinc/11/80/33/564118033.db2.gz JLPBOQKYMQQGGB-UHFFFAOYSA-N 0 0 346.836 3.639 50 5 EHBARN C[S@](=O)Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000195558953 564123831 /nfs/dbraw/zinc/12/38/31/564123831.db2.gz GHZQLZUGWPHERG-QFIPXVFZSA-N 0 0 338.816 3.739 50 5 EHBARN Cc1nc2ccc(C(=O)OCCc3ccccc3[N+](=O)[O-])cc2s1 ZINC000225470899 564135123 /nfs/dbraw/zinc/13/51/23/564135123.db2.gz CFBCDXOFWJWEEP-UHFFFAOYSA-N 0 0 342.376 3.912 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1C(=O)N(c1ccccn1)C1CCCC1 ZINC000277613376 564138189 /nfs/dbraw/zinc/13/81/89/564138189.db2.gz QAOLZASMMICSQP-UHFFFAOYSA-N 0 0 341.367 3.588 50 5 EHBARN Cn1c2ccccc2c2nnc(Sc3ccc([N+](=O)[O-])cc3)nc21 ZINC000002543442 564150581 /nfs/dbraw/zinc/15/05/81/564150581.db2.gz VXABIDGAUCKXCV-UHFFFAOYSA-N 0 0 337.364 3.576 50 5 EHBARN C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003097050 564155090 /nfs/dbraw/zinc/15/50/90/564155090.db2.gz WRCPTHXBZSYJRY-JTQLQIEISA-N 0 0 349.184 3.848 50 5 EHBARN Cc1cccc(CSc2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000003148432 564155471 /nfs/dbraw/zinc/15/54/71/564155471.db2.gz GBLPQARGZCONDI-UHFFFAOYSA-N 0 0 326.381 3.981 50 5 EHBARN Cc1c(C)c(C)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c(C)c1C ZINC000003170103 564155554 /nfs/dbraw/zinc/15/55/54/564155554.db2.gz NGXOGUUAVAANLB-UHFFFAOYSA-N 0 0 349.408 3.905 50 5 EHBARN Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000003217542 564156067 /nfs/dbraw/zinc/15/60/67/564156067.db2.gz DNUJFRJQYMTSSF-OAHLLOKOSA-N 0 0 325.324 3.793 50 5 EHBARN Cc1cc(C(=O)NC(C)C)ccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000058277552 564158295 /nfs/dbraw/zinc/15/82/95/564158295.db2.gz PRNDBCKHRYSGEA-UHFFFAOYSA-N 0 0 327.384 3.654 50 5 EHBARN O=[N+]([O-])c1cc(Cl)ccc1OCc1noc(-c2cccs2)n1 ZINC000031708528 564159712 /nfs/dbraw/zinc/15/97/12/564159712.db2.gz FUQWVYAEJXNZFB-UHFFFAOYSA-N 0 0 337.744 3.939 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)c1ccc[nH]1 ZINC000008705655 564166466 /nfs/dbraw/zinc/16/64/66/564166466.db2.gz KTBWMOPDRHKKSE-UHFFFAOYSA-N 0 0 328.349 3.913 50 5 EHBARN C[C@@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(CO)cc1 ZINC000039931597 564167721 /nfs/dbraw/zinc/16/77/21/564167721.db2.gz PSJIKZAFRGYKBH-ZDUSSCGKSA-N 0 0 340.379 3.532 50 5 EHBARN O=C(Nc1ccc(-c2csnn2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000069488526 564169845 /nfs/dbraw/zinc/16/98/45/564169845.db2.gz RMISFWOTHQWSJU-UHFFFAOYSA-N 0 0 344.327 3.505 50 5 EHBARN O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(Cl)c1 ZINC000003228140 1138082449 /nfs/dbraw/zinc/08/24/49/1138082449.db2.gz YFDKDUVNOVTTKR-RMKNXTFCSA-N 0 0 345.738 3.688 50 5 EHBARN O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)ccc1Cl ZINC000004745674 210266902 /nfs/dbraw/zinc/26/69/02/210266902.db2.gz ZVCNESJSTAZVLI-UHFFFAOYSA-N 0 0 345.698 3.694 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccccc1 ZINC000004740515 210265884 /nfs/dbraw/zinc/26/58/84/210265884.db2.gz WOAHOUKUZPSUFD-UHFFFAOYSA-N 0 0 332.381 3.724 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583077 210225979 /nfs/dbraw/zinc/22/59/79/210225979.db2.gz DZTVKLBNWUBDLX-UHFFFAOYSA-N 0 0 336.691 3.800 50 5 EHBARN COc1cccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])c1Cl ZINC000004542736 210218426 /nfs/dbraw/zinc/21/84/26/210218426.db2.gz KUHRCLVSOZURGG-MDZDMXLPSA-N 0 0 332.743 3.909 50 5 EHBARN Cc1cc2c(s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n2C)c(C)c1 ZINC000100908995 219111285 /nfs/dbraw/zinc/11/12/85/219111285.db2.gz JAMAWICIIYVJHP-ZCXUNETKSA-N 0 0 341.392 3.506 50 5 EHBARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000101052441 219115488 /nfs/dbraw/zinc/11/54/88/219115488.db2.gz FGVRKMMDTGFSCO-QGZVFWFLSA-N 0 0 333.351 3.551 50 5 EHBARN O=C(CSc1ccc(-c2ccco2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000004357950 210179037 /nfs/dbraw/zinc/17/90/37/210179037.db2.gz LEENAAOZXCFOQZ-UHFFFAOYSA-N 0 0 341.348 3.620 50 5 EHBARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000004275895 210157755 /nfs/dbraw/zinc/15/77/55/210157755.db2.gz RQBXQWCSIBPXNN-UHFFFAOYSA-N 0 0 344.714 3.551 50 5 EHBARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003961498 210095840 /nfs/dbraw/zinc/09/58/40/210095840.db2.gz FSKKLZHQFCCWLD-LLVKDONJSA-N 0 0 334.759 3.963 50 5 EHBARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000003885200 210082977 /nfs/dbraw/zinc/08/29/77/210082977.db2.gz TWYKCUHKBHKOHK-UHFFFAOYSA-N 0 0 340.788 3.666 50 5 EHBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000003093773 209962157 /nfs/dbraw/zinc/96/21/57/209962157.db2.gz DVTBYRDBABXJFA-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002898224 209939229 /nfs/dbraw/zinc/93/92/29/209939229.db2.gz NTCHUYHJJWRLRP-UHFFFAOYSA-N 0 0 339.666 3.548 50 5 EHBARN O=C(CSc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000002600852 209871235 /nfs/dbraw/zinc/87/12/35/209871235.db2.gz FUUUTZYOUZRJJX-UHFFFAOYSA-N 0 0 341.348 3.620 50 5 EHBARN Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001770384 209791904 /nfs/dbraw/zinc/79/19/04/209791904.db2.gz LXAYENZTUUGSNU-UHFFFAOYSA-N 0 0 348.786 3.674 50 5 EHBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2ccccc2n1 ZINC000040087570 213259771 /nfs/dbraw/zinc/25/97/71/213259771.db2.gz MCFFRZKGFVQEFB-UHFFFAOYSA-N 0 0 335.363 3.805 50 5 EHBARN COC(=O)c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000562760 209666384 /nfs/dbraw/zinc/66/63/84/209666384.db2.gz MDLHXDJFBNRUMM-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000033087333 212897221 /nfs/dbraw/zinc/89/72/21/212897221.db2.gz AJKSGEGNNVNGLZ-CQSZACIVSA-N 0 0 330.344 3.569 50 5 EHBARN CCOc1cc(C=O)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000313591 209531291 /nfs/dbraw/zinc/53/12/91/209531291.db2.gz OVQHITKUNDXRGD-UHFFFAOYSA-N 0 0 349.726 3.679 50 5 EHBARN O=[N+]([O-])c1cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cs1 ZINC000072291808 216126638 /nfs/dbraw/zinc/12/66/38/216126638.db2.gz KWZPAJFEWIVFIB-UHFFFAOYSA-N 0 0 340.408 3.822 50 5 EHBARN O=C1N[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)Nc2ccccc21 ZINC000028910871 212643965 /nfs/dbraw/zinc/64/39/65/212643965.db2.gz HAZOQLJHNITOTL-QGZVFWFLSA-N 0 0 335.319 3.709 50 5 EHBARN O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)n2)c1 ZINC000230119199 242232491 /nfs/dbraw/zinc/23/24/91/242232491.db2.gz FZTDBERQTGWLCP-XJKSGUPXSA-N 0 0 342.399 3.799 50 5 EHBARN CCc1ccc(CN(C)C(=O)COc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000019192676 212003588 /nfs/dbraw/zinc/00/35/88/212003588.db2.gz JOPVOJRJXBYUNH-UHFFFAOYSA-N 0 0 342.395 3.503 50 5 EHBARN CC[C@H](Oc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000013847433 211651075 /nfs/dbraw/zinc/65/10/75/211651075.db2.gz IZPSPHUWOBYZNY-AWEZNQCLSA-N 0 0 348.330 3.539 50 5 EHBARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000012137672 211302219 /nfs/dbraw/zinc/30/22/19/211302219.db2.gz YQENIKCWXIATBE-INIZCTEOSA-N 0 0 332.331 3.838 50 5 EHBARN C[C@H](c1ccccc1)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011701875 211239000 /nfs/dbraw/zinc/23/90/00/211239000.db2.gz JLQQYGDFDFQEBT-CQSZACIVSA-N 0 0 327.384 3.616 50 5 EHBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCCC1 ZINC000011324830 211211672 /nfs/dbraw/zinc/21/16/72/211211672.db2.gz BMCZMKADWZOMGH-UHFFFAOYSA-N 0 0 325.368 3.756 50 5 EHBARN O=C(NCc1csc(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000010893681 211194575 /nfs/dbraw/zinc/19/45/75/211194575.db2.gz YLIHNHIQPUKMOL-UHFFFAOYSA-N 0 0 339.376 3.648 50 5 EHBARN O=C(NCc1ccccn1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000009865758 211128933 /nfs/dbraw/zinc/12/89/33/211128933.db2.gz WGWBKLSYBUPRFN-UHFFFAOYSA-N 0 0 348.362 3.663 50 5 EHBARN COc1cccc2sc(NC(=O)c3cccc([N+](=O)[O-])c3C)nc21 ZINC000008772564 211003249 /nfs/dbraw/zinc/00/32/49/211003249.db2.gz XKTPLGYTEHXCPD-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN Cc1csc(C2(NC(=O)c3ccc(F)cc3[N+](=O)[O-])CCCC2)n1 ZINC000095965120 218469959 /nfs/dbraw/zinc/46/99/59/218469959.db2.gz FJLVDFMNDFWUCC-UHFFFAOYSA-N 0 0 349.387 3.698 50 5 EHBARN COc1ccccc1[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000096415143 218774650 /nfs/dbraw/zinc/77/46/50/218774650.db2.gz LNCMJGHZGWLCGU-ZDUSSCGKSA-N 0 0 341.367 3.625 50 5 EHBARN COc1ccc(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000005825087 210543091 /nfs/dbraw/zinc/54/30/91/210543091.db2.gz LIHYSSNSPHXGTO-UHFFFAOYSA-N 0 0 344.367 3.710 50 5 EHBARN Cc1ccc([C@H](C)NC(=O)N(C)[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000096455229 218839186 /nfs/dbraw/zinc/83/91/86/218839186.db2.gz HZGNXCRTXMRPPP-UONOGXRCSA-N 0 0 342.399 3.762 50 5 EHBARN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005065114 210381959 /nfs/dbraw/zinc/38/19/59/210381959.db2.gz UIOJEUAKMXHHGB-UHFFFAOYSA-N 0 0 339.395 3.862 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ccc(Cl)cc1 ZINC000005041606 210371952 /nfs/dbraw/zinc/37/19/52/210371952.db2.gz YTKWQYXCOMWNIY-UHFFFAOYSA-N 0 0 349.774 3.621 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cc(C)ccc1C ZINC000005019699 210363807 /nfs/dbraw/zinc/36/38/07/210363807.db2.gz WVYXQUNPMKWUKV-UHFFFAOYSA-N 0 0 346.408 3.951 50 5 EHBARN O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000004998399 210353840 /nfs/dbraw/zinc/35/38/40/210353840.db2.gz AIKLDQSXKMDPHC-UHFFFAOYSA-N 0 0 331.416 3.601 50 5 EHBARN CCN(CC)c1cc(NCc2ccccc2)c([N+](=O)[O-])c2nonc21 ZINC000004939411 210329659 /nfs/dbraw/zinc/32/96/59/210329659.db2.gz HPEXMMBDZONIDM-UHFFFAOYSA-N 0 0 341.371 3.589 50 5 EHBARN Cc1noc(C)c1COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000004779218 210277574 /nfs/dbraw/zinc/27/75/74/210277574.db2.gz XNABLSDXTURONJ-UHFFFAOYSA-N 0 0 342.307 3.817 50 5 EHBARN O=[N+]([O-])c1ccccc1N1CCN(c2nccc3ccsc32)CC1 ZINC000328590349 258044060 /nfs/dbraw/zinc/04/40/60/258044060.db2.gz DPOLFGSYBFSLRY-UHFFFAOYSA-N 0 0 340.408 3.531 50 5 EHBARN O=[N+]([O-])c1cc(Br)ccc1NCCOc1ccccc1 ZINC000047916770 564029760 /nfs/dbraw/zinc/02/97/60/564029760.db2.gz REVUBKHYPNMXEY-UHFFFAOYSA-N 0 0 337.173 3.848 50 5 EHBARN CC(=O)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 ZINC000000242031 563265338 /nfs/dbraw/zinc/26/53/38/563265338.db2.gz FEFMLQRFASSLKA-UHFFFAOYSA-N 0 0 341.366 3.707 50 5 EHBARN COc1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000010542257 563457656 /nfs/dbraw/zinc/45/76/56/563457656.db2.gz FYZOOLHGWYGWMR-UHFFFAOYSA-N 0 0 326.352 3.505 50 5 EHBARN NC(=O)c1ccc(N2CCC[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000032779304 563732838 /nfs/dbraw/zinc/73/28/38/563732838.db2.gz PYIQJOJQKJWPCX-CQSZACIVSA-N 0 0 345.786 3.689 50 5 EHBARN COc1ccccc1CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000032818852 563752060 /nfs/dbraw/zinc/75/20/60/563752060.db2.gz GPUXPRYYAWNFHZ-ZDUSSCGKSA-N 0 0 340.379 3.514 50 5 EHBARN CN(CCCNc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000032913364 563807804 /nfs/dbraw/zinc/80/78/04/563807804.db2.gz BAERGWSYJVFTBM-UHFFFAOYSA-N 0 0 343.811 3.917 50 5 EHBARN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000032930155 563838860 /nfs/dbraw/zinc/83/88/60/563838860.db2.gz JMQPAPCSQIOUHV-UHFFFAOYSA-N 0 0 342.248 3.683 50 5 EHBARN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 ZINC000072289183 563908688 /nfs/dbraw/zinc/90/86/88/563908688.db2.gz HGJYWDPINDNQTG-SNVBAGLBSA-N 0 0 346.412 3.813 50 5 EHBARN Cc1nc(CN(C)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000096455219 563953872 /nfs/dbraw/zinc/95/38/72/563953872.db2.gz PANPOIIUTCMNJF-NSHDSACASA-N 0 0 348.428 3.571 50 5 EHBARN CC(C)[C@H](c1cccnc1)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000097227652 563970595 /nfs/dbraw/zinc/97/05/95/563970595.db2.gz GZZWKIGEKRAEFC-MRXNPFEDSA-N 0 0 331.347 3.598 50 5 EHBARN CCc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000000087984 563974612 /nfs/dbraw/zinc/97/46/12/563974612.db2.gz GTKYWOVBCYWEII-UHFFFAOYSA-N 0 0 325.324 3.786 50 5 EHBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000046454470 563982654 /nfs/dbraw/zinc/98/26/54/563982654.db2.gz KDTPALLZZIQSKV-UHFFFAOYSA-N 0 0 344.798 3.938 50 5 EHBARN Cc1ccc(C2=N/C(=C/c3cccc(Cl)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000000177636 563987718 /nfs/dbraw/zinc/98/77/18/563987718.db2.gz HAMLWCOWTFKXAP-RIYZIHGNSA-N 0 0 342.738 3.901 50 5 EHBARN CSc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000177617 563987727 /nfs/dbraw/zinc/98/77/27/563987727.db2.gz HRCMNZGBPWINQX-OQLLNIDSSA-N 0 0 340.360 3.661 50 5 EHBARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000000187226 563987972 /nfs/dbraw/zinc/98/79/72/563987972.db2.gz NFSMZPHJCTUMKQ-UHFFFAOYSA-N 0 0 335.291 3.735 50 5 EHBARN Cc1ccc(F)cc1N1C(=O)CS[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000424000 563998406 /nfs/dbraw/zinc/99/84/06/563998406.db2.gz QFSGGCGLMCXQHL-MRXNPFEDSA-N 0 0 332.356 3.821 50 5 EHBARN O=C(NCCn1ccc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000427812 563998793 /nfs/dbraw/zinc/99/87/93/563998793.db2.gz LZYMVOWFSOLRFL-UHFFFAOYSA-N 0 0 343.770 3.633 50 5 EHBARN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000463972 564000834 /nfs/dbraw/zinc/00/08/34/564000834.db2.gz YASSMSJATLHPPW-UHFFFAOYSA-N 0 0 345.330 3.581 50 5 EHBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1Cl ZINC000000470244 564006162 /nfs/dbraw/zinc/00/61/62/564006162.db2.gz GRWHVEIFIABUPA-UHFFFAOYSA-N 0 0 334.803 3.803 50 5 EHBARN Cc1cc(O)ccc1N1C(=O)c2cccc3c2c(ccc3[N+](=O)[O-])C1=O ZINC000000474026 564006195 /nfs/dbraw/zinc/00/61/95/564006195.db2.gz YRKUOOWXJZNBAF-UHFFFAOYSA-N 0 0 348.314 3.563 50 5 EHBARN COc1ccc(O[C@H](C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000000514469 564020046 /nfs/dbraw/zinc/02/00/46/564020046.db2.gz WCPVEJZBJQIFMC-LLVKDONJSA-N 0 0 341.323 3.793 50 5 EHBARN Cc1c(NS(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000000582492 564024554 /nfs/dbraw/zinc/02/45/54/564024554.db2.gz ZXXQRVSULGVBQZ-UHFFFAOYSA-N 0 0 342.376 3.857 50 5 EHBARN COCCn1c(C)c(C)nc1SCc1cccc([N+](=O)[O-])c1C ZINC000048355340 564031451 /nfs/dbraw/zinc/03/14/51/564031451.db2.gz JUKUFAGBINQWRJ-UHFFFAOYSA-N 0 0 335.429 3.655 50 5 EHBARN Cc1nc2nc(S[C@H](C)c3cccc([N+](=O)[O-])c3)nn2c(C)c1C ZINC000048374585 564031673 /nfs/dbraw/zinc/03/16/73/564031673.db2.gz HIYURJRVXMIBGF-GFCCVEGCSA-N 0 0 343.412 3.811 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000120652998 564035858 /nfs/dbraw/zinc/03/58/58/564035858.db2.gz CGZIJEHOGQYDEZ-UHFFFAOYSA-N 0 0 334.763 3.722 50 5 EHBARN Cc1cc(C(=O)Nc2nnc(CC3CCCC3)s2)ccc1[N+](=O)[O-] ZINC000001005740 564053945 /nfs/dbraw/zinc/05/39/45/564053945.db2.gz VZERDRLTEJNZGG-UHFFFAOYSA-N 0 0 346.412 3.740 50 5 EHBARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000025328739 564054082 /nfs/dbraw/zinc/05/40/82/564054082.db2.gz GAYOYYPUSJEKIT-CYBMUJFWSA-N 0 0 328.368 3.745 50 5 EHBARN COc1cc(CC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000025834197 564064214 /nfs/dbraw/zinc/06/42/14/564064214.db2.gz STHVDDONAOUJTO-CQSZACIVSA-N 0 0 342.395 3.674 50 5 EHBARN O=[N+]([O-])c1c(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc2ccccn21 ZINC000012742200 564065460 /nfs/dbraw/zinc/06/54/60/564065460.db2.gz AOVVOPYQESGNAQ-NXEZZACHSA-N 0 0 328.294 3.776 50 5 EHBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](c2ccccc2)C1 ZINC000084525505 564068443 /nfs/dbraw/zinc/06/84/43/564068443.db2.gz OOKRYRBTCSOGRD-QGZVFWFLSA-N 0 0 349.390 3.566 50 5 EHBARN C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087323153 564069041 /nfs/dbraw/zinc/06/90/41/564069041.db2.gz VNAIYLAPABJCKI-CZUORRHYSA-N 0 0 344.436 3.994 50 5 EHBARN Cc1cc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000248758776 564078543 /nfs/dbraw/zinc/07/85/43/564078543.db2.gz GJJUBUVFUYTLKI-CLLJXQQHSA-N 0 0 343.383 3.594 50 5 EHBARN CC(C)(C)NC(=O)[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000075110519 564080299 /nfs/dbraw/zinc/08/02/99/564080299.db2.gz SWCPJAOFPGSGMM-AWEZNQCLSA-N 0 0 339.823 3.522 50 5 EHBARN O=C(Nc1nc2ccccc2s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000065668529 564108777 /nfs/dbraw/zinc/10/87/77/564108777.db2.gz QJDFGTHBFIMDOL-UHFFFAOYSA-N 0 0 335.291 3.735 50 5 EHBARN Cn1c2ccccc2s/c1=N/C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000017149591 564116537 /nfs/dbraw/zinc/11/65/37/564116537.db2.gz WDECPRPZKIXYAW-BMRADRMJSA-N 0 0 347.783 3.543 50 5 EHBARN Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000065875425 564121867 /nfs/dbraw/zinc/12/18/67/564121867.db2.gz KERWMGIJVLSDQU-RZXPCSSPSA-N 0 0 340.379 3.500 50 5 EHBARN O=[N+]([O-])c1ccc2c(c1)N=C(c1ccc(Br)cc1)CO2 ZINC000196560305 564124585 /nfs/dbraw/zinc/12/45/85/564124585.db2.gz AVHILIMDPZXDIP-UHFFFAOYSA-N 0 0 333.141 3.871 50 5 EHBARN COc1cccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)c1OC ZINC000002432947 564135054 /nfs/dbraw/zinc/13/50/54/564135054.db2.gz QSSRNEAHPFPSJZ-OAHLLOKOSA-N 0 0 326.352 3.594 50 5 EHBARN Cc1cc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000002628100 564151179 /nfs/dbraw/zinc/15/11/79/564151179.db2.gz UUCHRWBYLCIKFC-LLVKDONJSA-N 0 0 334.759 3.963 50 5 EHBARN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1OCC ZINC000002644349 564151775 /nfs/dbraw/zinc/15/17/75/564151775.db2.gz CNXDRFAWRYLXAD-UHFFFAOYSA-N 0 0 336.369 3.706 50 5 EHBARN COc1ccc2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])sc2c1 ZINC000002735131 564152375 /nfs/dbraw/zinc/15/23/75/564152375.db2.gz KFYOHCLPMQLNLZ-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN O=C(CCc1nc2ccccc2s1)OCc1ccc([N+](=O)[O-])cc1 ZINC000003239726 564156436 /nfs/dbraw/zinc/15/64/36/564156436.db2.gz JCGQYSGWKKQFLM-UHFFFAOYSA-N 0 0 342.376 3.881 50 5 EHBARN COc1ccc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000003510548 564158595 /nfs/dbraw/zinc/15/85/95/564158595.db2.gz KLKXZVSGWSLSRK-UHFFFAOYSA-N 0 0 339.706 3.753 50 5 EHBARN O=C(NC[C@@H]1CCCc2ccccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058406486 564158971 /nfs/dbraw/zinc/15/89/71/564158971.db2.gz GCDOCJRAVCNCCT-HNNXBMFYSA-N 0 0 349.390 3.926 50 5 EHBARN C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000008149578 564163225 /nfs/dbraw/zinc/16/32/25/564163225.db2.gz YSWCIYYMECZZEA-UZNLNLPZSA-N 0 0 343.427 3.711 50 5 EHBARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNc1ccc([N+](=O)[O-])cc1 ZINC000008379280 564164798 /nfs/dbraw/zinc/16/47/98/564164798.db2.gz RAIWJGQCKAOMKB-ZROIWOOFSA-N 0 0 343.726 3.505 50 5 EHBARN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000008562412 564165725 /nfs/dbraw/zinc/16/57/25/564165725.db2.gz XQNGVSIIOVKEQA-ZDUSSCGKSA-N 0 0 328.368 3.872 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](SC)c1ccccc1 ZINC000172361014 564167538 /nfs/dbraw/zinc/16/75/38/564167538.db2.gz UCEUUUZKYMCUAE-OAHLLOKOSA-N 0 0 332.381 3.646 50 5 EHBARN CC(C)N(Cc1ccccc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000070919448 564174520 /nfs/dbraw/zinc/17/45/20/564174520.db2.gz QLKVSLLEFCLHQH-UHFFFAOYSA-N 0 0 338.367 3.522 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1SCCc2sccc21 ZINC000074234890 564176465 /nfs/dbraw/zinc/17/64/65/564176465.db2.gz OJPMQJPSFXQPPG-CYBMUJFWSA-N 0 0 338.385 3.765 50 5 EHBARN Cn1c(Sc2ncccc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000078273575 564176937 /nfs/dbraw/zinc/17/69/37/564176937.db2.gz PXQBLRNOPGIWMC-UHFFFAOYSA-N 0 0 347.787 3.590 50 5 EHBARN O=c1[nH]c(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc12 ZINC000033470951 1122748221 /nfs/dbraw/zinc/74/82/21/1122748221.db2.gz CGYJYFPONGUCGG-VURMDHGXSA-N 0 0 327.727 3.655 50 5 EHBARN Cc1cccc([C@@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])c1 ZINC000054837360 214257206 /nfs/dbraw/zinc/25/72/06/214257206.db2.gz SFOWQJJIBURKOQ-ZDUSSCGKSA-N 0 0 328.397 3.954 50 5 EHBARN O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)cc(Cl)c1 ZINC000004686896 210248205 /nfs/dbraw/zinc/24/82/05/210248205.db2.gz YONQUWHBMHOEIQ-UHFFFAOYSA-N 0 0 343.170 3.517 50 5 EHBARN CCc1cc(N2CCCSCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058413689 214578038 /nfs/dbraw/zinc/57/80/38/214578038.db2.gz TXSGWXSGWKHSBQ-UHFFFAOYSA-N 0 0 344.440 3.558 50 5 EHBARN Cc1ccc(/C=C/C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000004589982 210227796 /nfs/dbraw/zinc/22/77/96/210227796.db2.gz DCVQIDGGRMFSRM-LWINHUFBSA-N 0 0 334.331 3.913 50 5 EHBARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC1CCCC1 ZINC000004542792 210217614 /nfs/dbraw/zinc/21/76/14/210217614.db2.gz KPDWBIYGDMIREP-PKNBQFBNSA-N 0 0 326.352 3.927 50 5 EHBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004525576 210213841 /nfs/dbraw/zinc/21/38/41/210213841.db2.gz UNGFEEYPGAUFRO-PSLIRLAXSA-N 0 0 343.408 3.635 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1C ZINC000004427344 210192798 /nfs/dbraw/zinc/19/27/98/210192798.db2.gz VNZRPCWXKORNSO-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN Cc1cccc(OCCNc2cc(N3CCCC3)ccc2[N+](=O)[O-])c1 ZINC000004455746 210194012 /nfs/dbraw/zinc/19/40/12/210194012.db2.gz IYECCJLABJLPSS-UHFFFAOYSA-N 0 0 341.411 3.994 50 5 EHBARN O=C(C1CCCCC1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000004120640 210126497 /nfs/dbraw/zinc/12/64/97/210126497.db2.gz FUFLSCPOCMCGJW-UHFFFAOYSA-N 0 0 347.440 3.607 50 5 EHBARN O=C(NCc1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003562419 210056135 /nfs/dbraw/zinc/05/61/35/210056135.db2.gz GIQVKAUUALTPKC-UHFFFAOYSA-N 0 0 325.151 3.832 50 5 EHBARN COc1ccc(-c2oc3ccc(F)cc3c(=O)c2C)cc1[N+](=O)[O-] ZINC000003324798 210006401 /nfs/dbraw/zinc/00/64/01/210006401.db2.gz CTWWGAICCUXWNN-UHFFFAOYSA-N 0 0 329.283 3.824 50 5 EHBARN O=C(N[C@@H]1CCCOc2ccccc21)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067992818 215268111 /nfs/dbraw/zinc/26/81/11/215268111.db2.gz BBXUISAUXNUCHS-CQSZACIVSA-N 0 0 348.305 3.517 50 5 EHBARN CCn1cnc2cc(-c3noc(-c4ccc([N+](=O)[O-])c(C)c4)n3)ccc21 ZINC000035453487 213028975 /nfs/dbraw/zinc/02/89/75/213028975.db2.gz JOXRQJQKKQZUKO-UHFFFAOYSA-N 0 0 349.350 3.990 50 5 EHBARN O=C(NC1CCCCCCC1)c1cccn2c(=O)c3ccccc3nc12 ZINC000000425568 209588261 /nfs/dbraw/zinc/58/82/61/209588261.db2.gz UEBBLQAMRWGVTA-UHFFFAOYSA-N 0 0 349.434 3.690 50 5 EHBARN Cc1cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c(C)n1C ZINC000032777344 212840475 /nfs/dbraw/zinc/84/04/75/212840475.db2.gz MUAHRUHALGVNQM-UHFFFAOYSA-N 0 0 345.380 3.666 50 5 EHBARN Cc1ccc(C(=O)Nc2nnc(CC(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000000372848 209556895 /nfs/dbraw/zinc/55/68/95/209556895.db2.gz RBADEFYVUFNFCW-UHFFFAOYSA-N 0 0 334.401 3.596 50 5 EHBARN Cc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1 ZINC000000099423 209418323 /nfs/dbraw/zinc/41/83/23/209418323.db2.gz FJLKJOCVAXUQFQ-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN COc1ccc(-c2nc(N)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000048931 209389317 /nfs/dbraw/zinc/38/93/17/209389317.db2.gz TWXMYMQMMHEOSL-UHFFFAOYSA-N 0 0 327.365 3.976 50 5 EHBARN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000025623711 212491046 /nfs/dbraw/zinc/49/10/46/212491046.db2.gz FOOJSZRBBZGPAX-GOSISDBHSA-N 0 0 349.390 3.647 50 5 EHBARN O=[N+]([O-])c1ccccc1-c1ccc(-c2nnc(-c3ccncc3)o2)o1 ZINC000020733474 212166510 /nfs/dbraw/zinc/16/65/10/212166510.db2.gz JVHYMBKKYXTAQY-UHFFFAOYSA-N 0 0 334.291 3.967 50 5 EHBARN O=C(NC1CC(c2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000252482522 243771686 /nfs/dbraw/zinc/77/16/86/243771686.db2.gz DIDYMEQBLVKANM-UHFFFAOYSA-N 0 0 330.771 3.924 50 5 EHBARN O=[N+]([O-])c1ccc([C@H]2OCCN2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000049952415 214037767 /nfs/dbraw/zinc/03/77/67/214037767.db2.gz JTOHPFZIHUXSSR-DKENDCILSA-N 0 0 328.412 3.894 50 5 EHBARN C[C@@H](c1ccco1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000012618968 211424785 /nfs/dbraw/zinc/42/47/85/211424785.db2.gz YWUMXEXYDPVSMD-ZDUSSCGKSA-N 0 0 337.335 3.991 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(CSC)cc1 ZINC000009909188 211132385 /nfs/dbraw/zinc/13/23/85/211132385.db2.gz LHAQJXPCWUNBKZ-UHFFFAOYSA-N 0 0 332.381 3.719 50 5 EHBARN Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000009009354 211029165 /nfs/dbraw/zinc/02/91/65/211029165.db2.gz OBLAWGOIUILBGT-UHFFFAOYSA-N 0 0 340.318 3.593 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nnc3c(Cl)cc(C(F)(F)F)cn32)cc1 ZINC000008925784 211019985 /nfs/dbraw/zinc/01/99/85/211019985.db2.gz INOYPCJSUKPABZ-UHFFFAOYSA-N 0 0 342.664 3.977 50 5 EHBARN C[C@@H](c1ccco1)N(C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000095409931 218346203 /nfs/dbraw/zinc/34/62/03/218346203.db2.gz DAWDIYOYSUCGCQ-LBPRGKRZSA-N 0 0 329.356 3.623 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)o1 ZINC000006995981 210753008 /nfs/dbraw/zinc/75/30/08/210753008.db2.gz PGWNVPGOMHENNO-UHFFFAOYSA-N 0 0 331.291 3.828 50 5 EHBARN CSc1ccc(C(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] ZINC000006510353 210644059 /nfs/dbraw/zinc/64/40/59/210644059.db2.gz XOAXWHMHVGANSQ-UHFFFAOYSA-N 0 0 330.409 3.679 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000006220287 210602618 /nfs/dbraw/zinc/60/26/18/210602618.db2.gz SEVLZSMPJBEKTM-UHFFFAOYSA-N 0 0 327.178 3.876 50 5 EHBARN Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000005109386 210391076 /nfs/dbraw/zinc/39/10/76/210391076.db2.gz SIEJXQUVMQGZMG-AWEZNQCLSA-N 0 0 328.368 3.926 50 5 EHBARN CCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000005102886 210389365 /nfs/dbraw/zinc/38/93/65/210389365.db2.gz VMLCUJQLKMMXLN-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000005044989 210372734 /nfs/dbraw/zinc/37/27/34/210372734.db2.gz LNROGQZCZLYAII-IZZDOVSWSA-N 0 0 325.368 3.939 50 5 EHBARN Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005027822 210366558 /nfs/dbraw/zinc/36/65/58/210366558.db2.gz NBSNIOGBNBVPET-UHFFFAOYSA-N 0 0 334.397 3.827 50 5 EHBARN CC[C@@H](C)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005000159 210356304 /nfs/dbraw/zinc/35/63/04/210356304.db2.gz SMIBEIRLVGHCOM-GFCCVEGCSA-N 0 0 334.397 3.909 50 5 EHBARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004904497 210317967 /nfs/dbraw/zinc/31/79/67/210317967.db2.gz BLFXAHAWDNPTEC-NSHDSACASA-N 0 0 334.759 3.963 50 5 EHBARN Cn1c2ccccc2n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=S ZINC000004868288 210308529 /nfs/dbraw/zinc/30/85/29/210308529.db2.gz SCFMIRXWWOYCRY-UHFFFAOYSA-N 0 0 330.325 3.515 50 5 EHBARN O=C(Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000004805830 210281197 /nfs/dbraw/zinc/28/11/97/210281197.db2.gz QSNPLNIZVZJYJQ-UHFFFAOYSA-N 0 0 330.287 3.856 50 5 EHBARN Cc1cc(C(=O)NCCCCOc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000195691168 257951937 /nfs/dbraw/zinc/95/19/37/257951937.db2.gz OEAGWDVVWUXXDV-UHFFFAOYSA-N 0 0 346.358 3.631 50 5 EHBARN C[C@H](CCc1ccco1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000009367824 258054116 /nfs/dbraw/zinc/05/41/16/258054116.db2.gz CHNQAOYROFNHOY-GFCCVEGCSA-N 0 0 343.383 3.513 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000055543287 132195763 /nfs/dbraw/zinc/19/57/63/132195763.db2.gz ADICUDOVEDGWDO-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@H](O)c2ccccc2)nc1 ZINC000170024441 226598063 /nfs/dbraw/zinc/59/80/63/226598063.db2.gz NHRNDQYJRLZPOX-WMZOPIPTSA-N 0 0 341.411 3.863 50 5 EHBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1 ZINC000007969946 563618373 /nfs/dbraw/zinc/61/83/73/563618373.db2.gz QPNTUARWMAJJBM-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000032769564 563729944 /nfs/dbraw/zinc/72/99/44/563729944.db2.gz DZWDHXBDXJLMBA-UHFFFAOYSA-N 0 0 329.356 3.507 50 5 EHBARN Cc1ccc2nsnc2c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000013945846 563966481 /nfs/dbraw/zinc/96/64/81/563966481.db2.gz FBQZJFDLFBWYMO-UHFFFAOYSA-N 0 0 348.771 3.814 50 5 EHBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000032672 563967485 /nfs/dbraw/zinc/96/74/85/563967485.db2.gz HXAJGWNDTYHFOO-UHFFFAOYSA-N 0 0 348.380 3.702 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1nc(C2CC2)cs1 ZINC000097103728 563967579 /nfs/dbraw/zinc/96/75/79/563967579.db2.gz VLGPJVQBMGKTRD-UHFFFAOYSA-N 0 0 332.385 3.559 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000097142230 563968189 /nfs/dbraw/zinc/96/81/89/563968189.db2.gz MSGLQKHPNNEDBN-DOTOQJQBSA-N 0 0 341.367 3.637 50 5 EHBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2c(s1)CCC2 ZINC000014021059 563982925 /nfs/dbraw/zinc/98/29/25/563982925.db2.gz XTYUKUYBPJGZTP-SECBINFHSA-N 0 0 349.437 3.659 50 5 EHBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)o3)no2)c1 ZINC000000116779 563986755 /nfs/dbraw/zinc/98/67/55/563986755.db2.gz UXRXGDMNRDSLED-UHFFFAOYSA-N 0 0 336.101 3.667 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2ccccc2s1 ZINC000000176120 563987555 /nfs/dbraw/zinc/98/75/55/563987555.db2.gz KAPACXMPYXILDE-CMDGGOBGSA-N 0 0 325.349 3.856 50 5 EHBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl ZINC000000291952 563990215 /nfs/dbraw/zinc/99/02/15/563990215.db2.gz LGDFAGXHPYUBBQ-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl ZINC000000304133 563990752 /nfs/dbraw/zinc/99/07/52/563990752.db2.gz PMUOSBCBSIALLW-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000000466884 564000782 /nfs/dbraw/zinc/00/07/82/564000782.db2.gz CLLXUCKFMIPUFB-UHFFFAOYSA-N 0 0 336.141 3.714 50 5 EHBARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000555172 564022852 /nfs/dbraw/zinc/02/28/52/564022852.db2.gz RYMFTSKRTIYAKM-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN COc1ncccc1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000048354214 564031343 /nfs/dbraw/zinc/03/13/43/564031343.db2.gz ZNCCVDXHVQEUFB-UHFFFAOYSA-N 0 0 327.262 3.629 50 5 EHBARN CCOC(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000612021 564031797 /nfs/dbraw/zinc/03/17/97/564031797.db2.gz KGXHULXHLGLZQB-UHFFFAOYSA-N 0 0 343.339 3.724 50 5 EHBARN Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000012621441 564060966 /nfs/dbraw/zinc/06/09/66/564060966.db2.gz OHPLUYFFQIDKEZ-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN C/C(=C/c1ccnn1-c1ncc(C(F)(F)F)cc1Cl)[N+](=O)[O-] ZINC000001388845 564064345 /nfs/dbraw/zinc/06/43/45/564064345.db2.gz RVUFDTCJRDOIFK-DAXSKMNVSA-N 0 0 332.669 3.577 50 5 EHBARN O=[N+]([O-])c1ccc(Oc2nccc(C(F)(F)F)n2)c2cccnc21 ZINC000184801989 564066455 /nfs/dbraw/zinc/06/64/55/564066455.db2.gz XXKUGDTYYYMBDD-UHFFFAOYSA-N 0 0 336.229 3.744 50 5 EHBARN CCc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000026544422 564082907 /nfs/dbraw/zinc/08/29/07/564082907.db2.gz OKHOCQZLFKTVHG-UHFFFAOYSA-N 0 0 334.397 3.575 50 5 EHBARN CC(C)c1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001934221 564090275 /nfs/dbraw/zinc/09/02/75/564090275.db2.gz CNPBWBSYCGWKIC-UHFFFAOYSA-N 0 0 342.351 3.514 50 5 EHBARN O=C(NC1CCCCCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000006652315 564095384 /nfs/dbraw/zinc/09/53/84/564095384.db2.gz UCOVUHVIQZREBH-UHFFFAOYSA-N 0 0 341.205 3.810 50 5 EHBARN Cc1csc([C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)n1 ZINC000170077004 564105299 /nfs/dbraw/zinc/10/52/99/564105299.db2.gz NDEONISEEXHUNL-HNNXBMFYSA-N 0 0 344.396 3.742 50 5 EHBARN O=C(NCc1cccnc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000017168969 564116554 /nfs/dbraw/zinc/11/65/54/564116554.db2.gz BIXOGYCMXKAFBF-UHFFFAOYSA-N 0 0 348.362 3.663 50 5 EHBARN CC(=O)c1cc(N2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000241383282 564122665 /nfs/dbraw/zinc/12/26/65/564122665.db2.gz MTXYNOGFTLFREA-SFHVURJKSA-N 0 0 344.342 3.514 50 5 EHBARN O=C(OCc1cc2ccccc2nc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000007781987 564123229 /nfs/dbraw/zinc/12/32/29/564123229.db2.gz DKECAUBAQQIFKI-UHFFFAOYSA-N 0 0 332.699 3.746 50 5 EHBARN Cc1cnc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1 ZINC000013135250 564136052 /nfs/dbraw/zinc/13/60/52/564136052.db2.gz PNTQMTKMGUWVSX-UHFFFAOYSA-N 0 0 346.412 3.602 50 5 EHBARN Cc1c(CSc2ccccc2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000096410906 564147635 /nfs/dbraw/zinc/14/76/35/564147635.db2.gz IYIMUDZQTKENQQ-UHFFFAOYSA-N 0 0 337.422 3.599 50 5 EHBARN CCOc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000002618339 564151158 /nfs/dbraw/zinc/15/11/58/564151158.db2.gz MKANEDCJRLLUNQ-UHFFFAOYSA-N 0 0 335.743 3.909 50 5 EHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000002995119 564154254 /nfs/dbraw/zinc/15/42/54/564154254.db2.gz SCFGWOMGTWPYMT-JTQLQIEISA-N 0 0 349.184 3.848 50 5 EHBARN CC(=O)c1ccc(Nc2cccc(NC(=O)C3CC3)c2)c([N+](=O)[O-])c1 ZINC000029526564 564153664 /nfs/dbraw/zinc/15/36/64/564153664.db2.gz JOPGOHRKUWSOFS-UHFFFAOYSA-N 0 0 339.351 3.890 50 5 EHBARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003285897 564156987 /nfs/dbraw/zinc/15/69/87/564156987.db2.gz CUIDULPBUBXDAJ-NSHDSACASA-N 0 0 345.786 3.638 50 5 EHBARN O=[N+]([O-])c1c(N[C@H]2CCSc3ccccc32)nc2sccn21 ZINC000008337129 564164542 /nfs/dbraw/zinc/16/45/42/564164542.db2.gz LALWTXPSYFGWGC-JTQLQIEISA-N 0 0 332.410 3.953 50 5 EHBARN O=[N+]([O-])c1ccc(NCc2ccccc2-n2cccn2)c2ccncc21 ZINC000069621127 564170974 /nfs/dbraw/zinc/17/09/74/564170974.db2.gz FCEUGWWRVPZDHV-UHFFFAOYSA-N 0 0 345.362 3.941 50 5 EHBARN COc1cc(F)cc2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000069740608 564171856 /nfs/dbraw/zinc/17/18/56/564171856.db2.gz JYQVCTDUYPZURQ-UHFFFAOYSA-N 0 0 347.327 3.605 50 5 EHBARN Cc1nnc(SCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000069770928 564172008 /nfs/dbraw/zinc/17/20/08/564172008.db2.gz FNNPDDIIYFPGHU-UHFFFAOYSA-N 0 0 348.409 3.745 50 5 EHBARN COc1ccc2oc(C)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2c1 ZINC000041156406 564173559 /nfs/dbraw/zinc/17/35/59/564173559.db2.gz XANUJRCJKDMYPB-UHFFFAOYSA-N 0 0 326.308 3.910 50 5 EHBARN CC[C@@H]1C[C@H](CC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000585125049 1137014586 /nfs/dbraw/zinc/01/45/86/1137014586.db2.gz FEORFQSLWXVVQD-CHWSQXEVSA-N 0 0 343.383 3.677 50 5 EHBARN CNc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000005692714 1138482470 /nfs/dbraw/zinc/48/24/70/1138482470.db2.gz OHOGORQBNIMKKE-WUXMJOGZSA-N 0 0 329.743 3.783 50 5 EHBARN O=C(OCCc1ccccc1/C=C\[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000004698699 210252524 /nfs/dbraw/zinc/25/25/24/210252524.db2.gz DLVRZKNJBLXOCM-LUAWRHEFSA-N 0 0 331.755 3.987 50 5 EHBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1C1CCCCC1 ZINC000055599631 214332644 /nfs/dbraw/zinc/33/26/44/214332644.db2.gz GTOGOXMLOQCFGQ-INIZCTEOSA-N 0 0 347.371 3.688 50 5 EHBARN COc1ccc(C[C@@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000055614507 214334418 /nfs/dbraw/zinc/33/44/18/214334418.db2.gz PDAAQNMLCKFKAQ-AWEZNQCLSA-N 0 0 346.408 3.512 50 5 EHBARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cn1 ZINC000004619696 210233237 /nfs/dbraw/zinc/23/32/37/210233237.db2.gz KTCMIKAQPKUVRK-QHHAFSJGSA-N 0 0 338.150 3.949 50 5 EHBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1Cl ZINC000004566446 210222178 /nfs/dbraw/zinc/22/21/78/210222178.db2.gz FFHQXUDIEFAUTE-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(Br)cc1 ZINC000004508166 210209120 /nfs/dbraw/zinc/20/91/20/210209120.db2.gz JIZRGZPFYVCAOW-UHFFFAOYSA-N 0 0 349.184 3.847 50 5 EHBARN COc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000004330817 210172616 /nfs/dbraw/zinc/17/26/16/210172616.db2.gz MQPBFHCCDSMBIA-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)sc2n1 ZINC000004187120 210141594 /nfs/dbraw/zinc/14/15/94/210141594.db2.gz SXSALPJJZQVQII-UHFFFAOYSA-N 0 0 342.380 3.656 50 5 EHBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Nc1ccccc1 ZINC000004116645 210123540 /nfs/dbraw/zinc/12/35/40/210123540.db2.gz XMUPIRRCANLYDH-UHFFFAOYSA-N 0 0 346.286 3.632 50 5 EHBARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003961497 210096008 /nfs/dbraw/zinc/09/60/08/210096008.db2.gz FSKKLZHQFCCWLD-NSHDSACASA-N 0 0 334.759 3.963 50 5 EHBARN CCOC(=O)c1cc(-c2cccs2)nn1-c1ccccc1[N+](=O)[O-] ZINC000003308156 210003310 /nfs/dbraw/zinc/00/33/10/210003310.db2.gz WPGHKFJCULGILC-UHFFFAOYSA-N 0 0 343.364 3.686 50 5 EHBARN Cc1ccc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000104230450 219363558 /nfs/dbraw/zinc/36/35/58/219363558.db2.gz NBAGXTJDTLLBMR-UHFFFAOYSA-N 0 0 332.272 3.772 50 5 EHBARN COc1ccc([C@@H](C)C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000069367792 215389166 /nfs/dbraw/zinc/38/91/66/215389166.db2.gz XJHJPBICPVFRRT-KGLIPLIRSA-N 0 0 342.395 3.927 50 5 EHBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1c[nH]c2ccccc12 ZINC000040511082 213328248 /nfs/dbraw/zinc/32/82/48/213328248.db2.gz HEGPBLKVHBAYJM-UHFFFAOYSA-N 0 0 337.379 3.667 50 5 EHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1c(F)cccc1F ZINC000040133302 213270265 /nfs/dbraw/zinc/27/02/65/213270265.db2.gz PQHVZQNVQNYRJZ-MDZDMXLPSA-N 0 0 332.306 3.545 50 5 EHBARN CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000000613663 209678573 /nfs/dbraw/zinc/67/85/73/209678573.db2.gz DLNYIJMWCBFBDS-KRWDZBQOSA-N 0 0 341.342 3.822 50 5 EHBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(F)cc1 ZINC000000061791 209396225 /nfs/dbraw/zinc/39/62/25/209396225.db2.gz NNVARCTVFPAEAD-AUWJEWJLSA-N 0 0 346.701 3.732 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000000063576 209395666 /nfs/dbraw/zinc/39/56/66/209395666.db2.gz TYKJYOBGQAHYNU-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN CCC(=O)Nc1nc2c(c3c4ccccc4oc(=O)c13)C[C@H](C)CC2 ZINC000000054539 209393076 /nfs/dbraw/zinc/39/30/76/209393076.db2.gz AQJIBUFSLLFPTE-LLVKDONJSA-N 0 0 336.391 3.815 50 5 EHBARN CC(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000000050564 209390297 /nfs/dbraw/zinc/39/02/97/209390297.db2.gz IWIXDSGATXPPSL-UHFFFAOYSA-N 0 0 340.792 3.551 50 5 EHBARN CCOC(=O)[C@@H](C)Oc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000046573 209389779 /nfs/dbraw/zinc/38/97/79/209389779.db2.gz MIAQJSAYMJESEF-GFCCVEGCSA-N 0 0 326.348 3.585 50 5 EHBARN Cc1cc(OCC(=O)N2CCC[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000024634873 212430394 /nfs/dbraw/zinc/43/03/94/212430394.db2.gz GAORXLABAYFTIM-HNNXBMFYSA-N 0 0 346.408 3.707 50 5 EHBARN Cc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC000023996879 212402353 /nfs/dbraw/zinc/40/23/53/212402353.db2.gz NVPSMMJNDMFUEC-GOSISDBHSA-N 0 0 347.374 3.818 50 5 EHBARN Nc1ccc2c(c1)oc1cc(=[NH2+])ccc-1c2-c1ccccc1C(=O)[O-] ZINC000020111388 212102214 /nfs/dbraw/zinc/10/22/14/212102214.db2.gz UPZKDDJKJWYWHQ-UHFFFAOYSA-N 0 0 330.343 3.964 50 5 biogenic,in-vitro EHBARN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2csc(C(C)C)n2)c1 ZINC000079310825 217207135 /nfs/dbraw/zinc/20/71/35/217207135.db2.gz KCFZLMCBRXWDLZ-JTQLQIEISA-N 0 0 349.412 3.674 50 5 EHBARN CNc1ccc(CNc2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000089396024 217793797 /nfs/dbraw/zinc/79/37/97/217793797.db2.gz WCXGKUPWVNHPFW-UHFFFAOYSA-N 0 0 340.383 3.597 50 5 EHBARN C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000012747193 211444280 /nfs/dbraw/zinc/44/42/80/211444280.db2.gz ASMDOUJEZVBIRS-DJYGCBNOSA-N 0 0 332.306 3.764 50 5 EHBARN O=C(c1ccccc1)c1ccc(NCCc2cccnc2)c([N+](=O)[O-])c1 ZINC000012644560 211427346 /nfs/dbraw/zinc/42/73/46/211427346.db2.gz XUOJSIBDFOJLOY-UHFFFAOYSA-N 0 0 347.374 3.875 50 5 EHBARN Cc1cc(NC(=O)c2oc(-c3cccc([N+](=O)[O-])c3)cc2C)no1 ZINC000011690009 211233488 /nfs/dbraw/zinc/23/34/88/211233488.db2.gz FNYZSCIEQRGNCI-UHFFFAOYSA-N 0 0 327.296 3.712 50 5 EHBARN O=C1C/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)N1c1cccc(Cl)c1 ZINC000009530511 211099319 /nfs/dbraw/zinc/09/93/19/211099319.db2.gz WIKGUPYRTSMJRP-RMKNXTFCSA-N 0 0 348.767 3.657 50 5 EHBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009368947 211077582 /nfs/dbraw/zinc/07/75/82/211077582.db2.gz ASDGEFDXHVYVMK-HDPALTEOSA-N 0 0 330.384 3.543 50 5 EHBARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009255927 211057650 /nfs/dbraw/zinc/05/76/50/211057650.db2.gz XHKBRCRNYKOBQB-UHFFFAOYSA-N 0 0 338.285 3.886 50 5 EHBARN Cc1cccc(-n2nnnc2S[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000008982853 211025364 /nfs/dbraw/zinc/02/53/64/211025364.db2.gz HXQJURZWHMZGJU-GFCCVEGCSA-N 0 0 341.396 3.732 50 5 EHBARN Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(=O)N(C)C ZINC000008937334 211019858 /nfs/dbraw/zinc/01/98/58/211019858.db2.gz YIMJXWSPCXYLJC-UHFFFAOYSA-N 0 0 335.363 3.820 50 5 EHBARN COc1cccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000008331581 210937806 /nfs/dbraw/zinc/93/78/06/210937806.db2.gz FRYBSBUNTICLFR-UHFFFAOYSA-N 0 0 342.376 3.748 50 5 EHBARN C[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000008024062 210884687 /nfs/dbraw/zinc/88/46/87/210884687.db2.gz BXMZLADIJJWEST-CYBMUJFWSA-N 0 0 339.395 3.703 50 5 EHBARN Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)oc1C ZINC000097033598 218921707 /nfs/dbraw/zinc/92/17/07/218921707.db2.gz GQDJWNVMDZLAAS-UHFFFAOYSA-N 0 0 349.412 3.630 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCCCC1 ZINC000005173709 210405651 /nfs/dbraw/zinc/40/56/51/210405651.db2.gz WUYXFMPHPXSNBU-UHFFFAOYSA-N 0 0 333.266 3.902 50 5 EHBARN CC(=O)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004858405 210303474 /nfs/dbraw/zinc/30/34/74/210303474.db2.gz ACVNEGDVQZXXKQ-UHFFFAOYSA-N 0 0 348.742 3.564 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C1(c2ccccc2)CCOCC1 ZINC000004844798 210297002 /nfs/dbraw/zinc/29/70/02/210297002.db2.gz LICVOPLHQGFPNO-UHFFFAOYSA-N 0 0 340.379 3.590 50 5 EHBARN Cc1cc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004799664 210280525 /nfs/dbraw/zinc/28/05/25/210280525.db2.gz VRMCUJJWYBDAGT-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN C[C@]1(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1(Cl)Cl ZINC000004748839 210269549 /nfs/dbraw/zinc/26/95/49/210269549.db2.gz XKNLLXZPKYPHDF-LLVKDONJSA-N 0 0 346.195 3.727 50 5 EHBARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000003353712 258050603 /nfs/dbraw/zinc/05/06/03/258050603.db2.gz YXFHINBQJJAZKU-UHFFFAOYSA-N 0 0 333.300 3.703 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000055543408 132195824 /nfs/dbraw/zinc/19/58/24/132195824.db2.gz JXFKZUZTEUFNEE-UHFFFAOYSA-N 0 0 349.793 3.710 50 5 EHBARN Cc1cccnc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004840075 135667160 /nfs/dbraw/zinc/66/71/60/135667160.db2.gz HPEYLPASJUCNAI-UHFFFAOYSA-N 0 0 340.383 3.541 50 5 EHBARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000129750 563238050 /nfs/dbraw/zinc/23/80/50/563238050.db2.gz JIMDIHBYRKKRCS-LLVKDONJSA-N 0 0 334.759 3.963 50 5 EHBARN CC(C)C(=O)Nc1ccc(Nc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000032806247 563740896 /nfs/dbraw/zinc/74/08/96/563740896.db2.gz IIBRQPKFOWZULL-UHFFFAOYSA-N 0 0 339.355 3.581 50 5 EHBARN Cc1cccc(C(=O)NCCCO[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000032907530 563799337 /nfs/dbraw/zinc/79/93/37/563799337.db2.gz IMDVSOGPSGHSFU-HNNXBMFYSA-N 0 0 342.395 3.801 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1O[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000096449280 563953321 /nfs/dbraw/zinc/95/33/21/563953321.db2.gz HAFIDLSWLZBYHN-LLVKDONJSA-N 0 0 341.323 3.793 50 5 EHBARN O=c1c2sc(-c3ccc([N+](=O)[O-])cc3)cc2nc2n1CCCCC2 ZINC000000033375 563967479 /nfs/dbraw/zinc/96/74/79/563967479.db2.gz QNPSCYJECJQBII-UHFFFAOYSA-N 0 0 341.392 3.760 50 5 EHBARN O=[N+]([O-])c1cc(F)c(NC[C@@H](c2ccco2)N2CCCC2)c(F)c1 ZINC000097229457 563970643 /nfs/dbraw/zinc/97/06/43/563970643.db2.gz TVMKMYSPEOWHEH-AWEZNQCLSA-N 0 0 337.326 3.715 50 5 EHBARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000129748 563986794 /nfs/dbraw/zinc/98/67/94/563986794.db2.gz JIMDIHBYRKKRCS-NSHDSACASA-N 0 0 334.759 3.963 50 5 EHBARN Cc1ccc(F)cc1N1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000180786 563987856 /nfs/dbraw/zinc/98/78/56/563987856.db2.gz IXADFIHMUZTWBB-INIZCTEOSA-N 0 0 332.356 3.821 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)o1 ZINC000000311505 563990934 /nfs/dbraw/zinc/99/09/34/563990934.db2.gz HVTZSEWHWAYAJY-UHFFFAOYSA-N 0 0 325.118 3.511 50 5 EHBARN O=C(Nc1ccc(F)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004896040 563992288 /nfs/dbraw/zinc/99/22/88/563992288.db2.gz NDKQLRGAHTUSBD-UHFFFAOYSA-N 0 0 343.358 3.977 50 5 EHBARN CCn1c2ccccc2c2cc(Nc3ncnc(N)c3[N+](=O)[O-])ccc21 ZINC000005174800 563999991 /nfs/dbraw/zinc/99/99/91/563999991.db2.gz AIKJYVFHPKFSBO-UHFFFAOYSA-N 0 0 348.366 3.838 50 5 EHBARN O=[N+]([O-])c1ccc(Oc2ccccc2)c(I)c1 ZINC000000467332 564000803 /nfs/dbraw/zinc/00/08/03/564000803.db2.gz QNFPJAMXJNFVRR-UHFFFAOYSA-N 0 0 341.104 3.992 50 5 EHBARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000000463575 564000804 /nfs/dbraw/zinc/00/08/04/564000804.db2.gz PYVOCXVZZBGZDT-RMKNXTFCSA-N 0 0 332.743 3.909 50 5 EHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C12CC3CC(CC(C3)C1)C2 ZINC000005454496 564004268 /nfs/dbraw/zinc/00/42/68/564004268.db2.gz JCBBTCFNEVPQJW-LKBWSCCASA-N 0 0 334.441 3.991 50 5 EHBARN Cc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1[N+](=O)[O-] ZINC000005559108 564005479 /nfs/dbraw/zinc/00/54/79/564005479.db2.gz NDGNFUCNBSEFRY-UHFFFAOYSA-N 0 0 331.328 3.904 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000005570027 564005551 /nfs/dbraw/zinc/00/55/51/564005551.db2.gz XFFXEHGHHLPKGP-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)c(Cl)c1 ZINC000000476004 564006209 /nfs/dbraw/zinc/00/62/09/564006209.db2.gz SFQJLMUWCFXWSG-UHFFFAOYSA-N 0 0 339.178 3.761 50 5 EHBARN Cc1ccc(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C ZINC000005702487 564019491 /nfs/dbraw/zinc/01/94/91/564019491.db2.gz HHHUOBQJVCSWFQ-UHFFFAOYSA-N 0 0 337.422 3.766 50 5 EHBARN CCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000000570028 564023248 /nfs/dbraw/zinc/02/32/48/564023248.db2.gz MAMFBFWTZVMJFI-UHFFFAOYSA-N 0 0 327.340 3.504 50 5 EHBARN COc1ccc(C)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000000619269 564031866 /nfs/dbraw/zinc/03/18/66/564031866.db2.gz BQELRTALTFXTIP-UHFFFAOYSA-N 0 0 346.408 3.784 50 5 EHBARN Cc1ccc(OCc2csc(Cc3ccccc3)n2)c([N+](=O)[O-])n1 ZINC000031650329 564057899 /nfs/dbraw/zinc/05/78/99/564057899.db2.gz SSDQTGAXWZECIR-UHFFFAOYSA-N 0 0 341.392 3.925 50 5 EHBARN CCN(CC)C(=O)c1cc2c(=O)c3cc(Cl)ccc3oc2nc1C ZINC000001395819 564064881 /nfs/dbraw/zinc/06/48/81/564064881.db2.gz JWKWVFUIFNHRJG-UHFFFAOYSA-N 0 0 344.798 3.785 50 5 EHBARN Cn1cccc1[C@@H]1CCCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000084321776 564067792 /nfs/dbraw/zinc/06/77/92/564067792.db2.gz MHZZZTBOIXIFDU-SFHVURJKSA-N 0 0 341.411 3.620 50 5 EHBARN CN(Cc1cccc(Cl)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012889993 564077555 /nfs/dbraw/zinc/07/75/55/564077555.db2.gz XRSSZDXFTGWFHN-UHFFFAOYSA-N 0 0 348.786 3.747 50 5 EHBARN Cc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000012931733 564078792 /nfs/dbraw/zinc/07/87/92/564078792.db2.gz GFFXPGQCVWALGB-UHFFFAOYSA-N 0 0 334.335 3.613 50 5 EHBARN Cc1c(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cccc1[N+](=O)[O-] ZINC000016181061 564080338 /nfs/dbraw/zinc/08/03/38/564080338.db2.gz FVZJZCDHZXAATJ-UHFFFAOYSA-N 0 0 344.754 3.971 50 5 EHBARN Cc1cccc(C(=O)NC2CCC(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000013004201 564086364 /nfs/dbraw/zinc/08/63/64/564086364.db2.gz HTJLTILHXONKMV-UHFFFAOYSA-N 0 0 330.306 3.754 50 5 EHBARN CC[C@H](C)NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000001906929 564089358 /nfs/dbraw/zinc/08/93/58/564089358.db2.gz SDDZSJHRYHNQSX-ZDUSSCGKSA-N 0 0 332.407 3.652 50 5 EHBARN O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000016671448 564092810 /nfs/dbraw/zinc/09/28/10/564092810.db2.gz SITPWTZVYMURTP-GXDHUFHOSA-N 0 0 326.333 3.836 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)nc1 ZINC000170024446 564104896 /nfs/dbraw/zinc/10/48/96/564104896.db2.gz NHRNDQYJRLZPOX-SJLPKXTDSA-N 0 0 341.411 3.863 50 5 EHBARN CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nncn1C(C)C ZINC000071184892 564110744 /nfs/dbraw/zinc/11/07/44/564110744.db2.gz IFXDRZJMHPEICG-UHFFFAOYSA-N 0 0 336.417 3.847 50 5 EHBARN O=C(NCc1ccccc1[N+](=O)[O-])c1cccc2c3c([nH]c21)CCCC3 ZINC000089813979 564113971 /nfs/dbraw/zinc/11/39/71/564113971.db2.gz YSEDTADZDRMJLH-UHFFFAOYSA-N 0 0 349.390 3.885 50 5 EHBARN Cc1ccn(C(=O)c2csc([N+](=O)[O-])c2)c(=NC2CCCCC2)c1 ZINC000252452714 564118581 /nfs/dbraw/zinc/11/85/81/564118581.db2.gz XXLFJWKCRHXKNS-UHFFFAOYSA-N 0 0 345.424 3.688 50 5 EHBARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c12 ZINC000012799330 564135569 /nfs/dbraw/zinc/13/55/69/564135569.db2.gz MUKXGVFZGAFNIH-UHFFFAOYSA-N 0 0 338.323 3.569 50 5 EHBARN CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000013002523 564135831 /nfs/dbraw/zinc/13/58/31/564135831.db2.gz VZZFZKZPYRMPQO-OAHLLOKOSA-N 0 0 346.408 3.571 50 5 EHBARN O=C(Nc1ccc(-c2nccs2)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000390833663 564138816 /nfs/dbraw/zinc/13/88/16/564138816.db2.gz LBIQMDRWROPPBG-UHFFFAOYSA-N 0 0 341.348 3.676 50 5 EHBARN O=[N+]([O-])c1cc(Br)c2ncc(Br)cc2c1 ZINC000095670863 564141788 /nfs/dbraw/zinc/14/17/88/564141788.db2.gz IPAXEFNOGMMLJV-UHFFFAOYSA-N 0 0 331.951 3.668 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095802942 564141869 /nfs/dbraw/zinc/14/18/69/564141869.db2.gz YNMNCFUFQJZIFY-UHFFFAOYSA-N 0 0 336.388 3.682 50 5 EHBARN CCc1ccc(OCc2noc(-c3scnc3C)n2)c([N+](=O)[O-])c1 ZINC000096471994 564148354 /nfs/dbraw/zinc/14/83/54/564148354.db2.gz ZGQKUNGVOAYJDB-UHFFFAOYSA-N 0 0 346.368 3.551 50 5 EHBARN O=C(CNc1ccc2c3c(cccc31)CC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000028651795 564152101 /nfs/dbraw/zinc/15/21/01/564152101.db2.gz SVUZXUBWAWDSGB-UHFFFAOYSA-N 0 0 347.374 3.897 50 5 EHBARN CC(=O)c1ccc(N2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000029528008 564153667 /nfs/dbraw/zinc/15/36/67/564153667.db2.gz KXGSNMCYZWTFLD-SFHVURJKSA-N 0 0 344.342 3.514 50 5 EHBARN Cc1ccc(CSCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002982866 564154007 /nfs/dbraw/zinc/15/40/07/564154007.db2.gz KFROFNUQUPQKGS-UHFFFAOYSA-N 0 0 330.409 3.566 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nnc3c4ccccc4c(Cl)nn23)cc1 ZINC000003173551 564155662 /nfs/dbraw/zinc/15/56/62/564155662.db2.gz GYNCMUSCCXFFKD-UHFFFAOYSA-N 0 0 325.715 3.506 50 5 EHBARN Cc1nn(-c2ccccc2)c(N)c1Sc1cccc([N+](=O)[O-])c1 ZINC000003191855 564155836 /nfs/dbraw/zinc/15/58/36/564155836.db2.gz XRQSWIUGSJXRHX-UHFFFAOYSA-N 0 0 326.381 3.822 50 5 EHBARN O=C(NC[C@H]1CCCc2ccccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058406485 564158993 /nfs/dbraw/zinc/15/89/93/564158993.db2.gz GCDOCJRAVCNCCT-OAHLLOKOSA-N 0 0 349.390 3.926 50 5 EHBARN Cc1cc([N+](=O)[O-])sc1N1CCN(c2cccc(C)c2C)CC1 ZINC000058414796 564159053 /nfs/dbraw/zinc/15/90/53/564159053.db2.gz NDYDVIMELDSAJY-UHFFFAOYSA-N 0 0 331.441 3.908 50 5 EHBARN CC(=O)c1ccc(Nc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000008054265 564162432 /nfs/dbraw/zinc/16/24/32/564162432.db2.gz MBJUVQBCCGGPSC-UHFFFAOYSA-N 0 0 328.324 3.702 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000008493424 564165480 /nfs/dbraw/zinc/16/54/80/564165480.db2.gz XBPGRABGIZEVJC-CYBMUJFWSA-N 0 0 344.367 3.626 50 5 EHBARN CCn1c2ccccc2c(Nc2ccc(OC)cc2)c([N+](=O)[O-])c1=O ZINC000008744306 564167191 /nfs/dbraw/zinc/16/71/91/564167191.db2.gz VSKFPFPFDXMTFX-UHFFFAOYSA-N 0 0 339.351 3.682 50 5 EHBARN CS[C@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1 ZINC000172369874 564167516 /nfs/dbraw/zinc/16/75/16/564167516.db2.gz XRLONPXWDGKNAC-AWEZNQCLSA-N 0 0 338.335 3.916 50 5 EHBARN Cc1c(CN2C[C@H](O)Cc3ccc4ccccc4c32)cccc1[N+](=O)[O-] ZINC000071811788 564175603 /nfs/dbraw/zinc/17/56/03/564175603.db2.gz QNHZSIDWLCWEHM-GOSISDBHSA-N 0 0 348.402 3.980 50 5 EHBARN CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000074019603 564176467 /nfs/dbraw/zinc/17/64/67/564176467.db2.gz MQQZDZLSRCZIHM-GFCCVEGCSA-N 0 0 331.397 3.524 50 5 EHBARN Cc1nn(C)c(N[C@H](C)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000051855057 214107192 /nfs/dbraw/zinc/10/71/92/214107192.db2.gz VCDFNKWSLLAHHS-MRVPVSSYSA-N 0 0 328.294 3.829 50 5 EHBARN COc1ccc(NC(=O)Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000004704417 210253966 /nfs/dbraw/zinc/25/39/66/210253966.db2.gz DDPAFCOBGIMJJU-UHFFFAOYSA-N 0 0 338.722 3.577 50 5 EHBARN O=C(Nc1cccc(CNc2ccccc2[N+](=O)[O-])c1)c1ccncc1 ZINC000054836838 214257397 /nfs/dbraw/zinc/25/73/97/214257397.db2.gz IUCLEUYNOOGTPN-UHFFFAOYSA-N 0 0 348.362 3.854 50 5 EHBARN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000057282238 214415709 /nfs/dbraw/zinc/41/57/09/214415709.db2.gz OQRPGPILOOAFHU-SECBINFHSA-N 0 0 349.730 3.647 50 5 EHBARN CCCCN(CCCC)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004670198 210242910 /nfs/dbraw/zinc/24/29/10/210242910.db2.gz QWWROXMUIPPNDK-UHFFFAOYSA-N 0 0 348.852 3.839 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(OCCOc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000098087129 219082251 /nfs/dbraw/zinc/08/22/51/219082251.db2.gz LYQYOCDZWJGROG-UHFFFAOYSA-N 0 0 332.312 3.578 50 5 EHBARN Cc1cc(NC(=O)c2ccccc2)nc2c3ccccc3oc(=O)c12 ZINC000100711306 219105306 /nfs/dbraw/zinc/10/53/06/219105306.db2.gz UONSXMIOEBKYGZ-UHFFFAOYSA-N 0 0 330.343 3.902 50 5 EHBARN CC(C)(C)OC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004299372 210164368 /nfs/dbraw/zinc/16/43/68/210164368.db2.gz AFKGDSDZTRMJTA-UHFFFAOYSA-N 0 0 349.309 3.550 50 5 EHBARN O=C(OCCSc1ncccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000004300697 210163493 /nfs/dbraw/zinc/16/34/93/210163493.db2.gz PYFSGXQKQIKETR-UHFFFAOYSA-N 0 0 338.772 3.592 50 5 EHBARN O=C(Nc1cccc(-n2ccnc2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047533632 213854974 /nfs/dbraw/zinc/85/49/74/213854974.db2.gz ULHAMFXAKUCCHN-UHFFFAOYSA-N 0 0 342.742 3.686 50 5 EHBARN Cc1cc2cc(CNC(=O)c3cccc([N+](=O)[O-])c3C)ccc2n1C ZINC000004061525 210110162 /nfs/dbraw/zinc/11/01/62/210110162.db2.gz TYCFPEKQINNRSR-UHFFFAOYSA-N 0 0 337.379 3.633 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000004070173 210112371 /nfs/dbraw/zinc/11/23/71/210112371.db2.gz AKFBPSJIOVSKSI-UHFFFAOYSA-N 0 0 339.120 3.749 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cn1)C1c2ccccc2Oc2ccccc21 ZINC000003906503 210090206 /nfs/dbraw/zinc/09/02/06/210090206.db2.gz NGPPHLCMZDQDTG-UHFFFAOYSA-N 0 0 347.330 3.866 50 5 EHBARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003430678 210037306 /nfs/dbraw/zinc/03/73/06/210037306.db2.gz QIRQSTBJAKHGHX-UHFFFAOYSA-N 0 0 327.315 3.787 50 5 EHBARN COCc1ccccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000044549569 213632550 /nfs/dbraw/zinc/63/25/50/213632550.db2.gz PMAYNLRELXENGW-GFCCVEGCSA-N 0 0 346.408 3.861 50 5 EHBARN COc1ccc([C@H](C)C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000069367796 215388620 /nfs/dbraw/zinc/38/86/20/215388620.db2.gz XJHJPBICPVFRRT-UONOGXRCSA-N 0 0 342.395 3.927 50 5 EHBARN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000040510143 213326485 /nfs/dbraw/zinc/32/64/85/213326485.db2.gz LEQJVGFMWGQXNW-MRVPVSSYSA-N 0 0 325.777 3.504 50 5 EHBARN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000040158477 213276154 /nfs/dbraw/zinc/27/61/54/213276154.db2.gz GCSSQWJPNXCZCD-LBPRGKRZSA-N 0 0 329.356 3.915 50 5 EHBARN C[C@@H](OC(=O)COc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000040146218 213273539 /nfs/dbraw/zinc/27/35/39/213273539.db2.gz QMIMQTBZAFXXKN-LLVKDONJSA-N 0 0 335.743 3.931 50 5 EHBARN COc1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000037131133 213134267 /nfs/dbraw/zinc/13/42/67/213134267.db2.gz BMWOBECNFSIFRM-UHFFFAOYSA-N 0 0 337.173 3.978 50 5 EHBARN COc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000000461200 209615299 /nfs/dbraw/zinc/61/52/99/209615299.db2.gz FYZJPSFLXSYMMZ-UHFFFAOYSA-N 0 0 326.352 3.735 50 5 EHBARN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000000284721 209517557 /nfs/dbraw/zinc/51/75/57/209517557.db2.gz XUABTORAOZGXAD-UHFFFAOYSA-N 0 0 340.257 3.875 50 5 EHBARN O=C(NC1CCCCCCC1)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000072329370 216154226 /nfs/dbraw/zinc/15/42/26/216154226.db2.gz YCWKRAWPVSYDFJ-UHFFFAOYSA-N 0 0 342.399 3.828 50 5 EHBARN CCn1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000024766119 212439129 /nfs/dbraw/zinc/43/91/29/212439129.db2.gz WIAQANPIOXCENL-UHFFFAOYSA-N 0 0 336.775 3.948 50 5 EHBARN Cc1cc(Sc2nnc3sc4ccccc4n23)ncc1[N+](=O)[O-] ZINC000074738963 216514310 /nfs/dbraw/zinc/51/43/10/216514310.db2.gz VGQUXRGKBFJUDN-UHFFFAOYSA-N 0 0 343.393 3.707 50 5 EHBARN CC(=O)c1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000241383281 242990822 /nfs/dbraw/zinc/99/08/22/242990822.db2.gz MTXYNOGFTLFREA-GOSISDBHSA-N 0 0 344.342 3.514 50 5 EHBARN O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(C(F)(F)F)s1 ZINC000241946747 243006283 /nfs/dbraw/zinc/00/62/83/243006283.db2.gz UNOSUPIWRNGTFV-UHFFFAOYSA-N 0 0 342.711 3.665 50 5 EHBARN O=C(NCc1ccco1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000013946214 211660946 /nfs/dbraw/zinc/66/09/46/211660946.db2.gz JSBDNYXZQGWIIN-UHFFFAOYSA-N 0 0 336.756 3.986 50 5 EHBARN Cc1cc(F)ccc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000012555111 211409732 /nfs/dbraw/zinc/40/97/32/211409732.db2.gz NRQZXRLEMBZBMV-UHFFFAOYSA-N 0 0 331.347 3.873 50 5 EHBARN CC(C)c1nnc2n1N1C(=CS[C@@H]1c1cccc([N+](=O)[O-])c1)S2 ZINC000012321282 211345792 /nfs/dbraw/zinc/34/57/92/211345792.db2.gz JIZKKWYVWUKXHU-CYBMUJFWSA-N 0 0 347.425 3.598 50 5 EHBARN O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(F)cc1 ZINC000012289111 211333582 /nfs/dbraw/zinc/33/35/82/211333582.db2.gz DGAHIJGFPDQALY-ZROIWOOFSA-N 0 0 344.323 3.975 50 5 EHBARN Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000012256002 211329173 /nfs/dbraw/zinc/32/91/73/211329173.db2.gz YEAVFPOBEBSZPZ-UHFFFAOYSA-N 0 0 328.280 3.508 50 5 EHBARN CCOc1ccc([N+](=O)[O-])cc1CNc1cccc(-c2nnco2)c1 ZINC000095428644 218370853 /nfs/dbraw/zinc/37/08/53/218370853.db2.gz DIWYIXFWZALOSL-UHFFFAOYSA-N 0 0 340.339 3.656 50 5 EHBARN COc1ccc(C(=O)N(C)Cc2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000006602132 210661293 /nfs/dbraw/zinc/66/12/93/210661293.db2.gz LFOSZCYXQRCOJP-UHFFFAOYSA-N 0 0 346.408 3.598 50 5 EHBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12 ZINC000005966386 210568632 /nfs/dbraw/zinc/56/86/32/210568632.db2.gz GDBNCLGYPLLSPC-NSHDSACASA-N 0 0 338.319 3.504 50 5 EHBARN O=C([C@@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005540266 210485374 /nfs/dbraw/zinc/48/53/74/210485374.db2.gz CBNWFPTVXBGBFO-FAVSCLIXSA-N 0 0 327.380 3.820 50 5 EHBARN COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3o2)cc1 ZINC000005024086 210364907 /nfs/dbraw/zinc/36/49/07/210364907.db2.gz ZYBFVQPWUXKLRI-QPJJXVBHSA-N 0 0 341.279 3.823 50 5 EHBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)C12CC3CC(CC(C3)C1)C2 ZINC000005020714 210364434 /nfs/dbraw/zinc/36/44/34/210364434.db2.gz IAWSMEIUEZYHJQ-UHFFFAOYSA-N 0 0 349.408 3.599 50 5 EHBARN Cc1ccccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005017664 210363517 /nfs/dbraw/zinc/36/35/17/210363517.db2.gz CAZBVIMXNKWISL-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(F)cc2)c2ncccc12 ZINC000004994625 210353000 /nfs/dbraw/zinc/35/30/00/210353000.db2.gz VUJQLKROJBDGMF-UHFFFAOYSA-N 0 0 328.259 3.934 50 5 EHBARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000038887 208555867 /nfs/dbraw/zinc/55/58/67/208555867.db2.gz YWDWGAGLDDBIIQ-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN CCOc1ccc(NC(=O)c2ccccc2OCC)c([N+](=O)[O-])c1 ZINC000004902400 210317939 /nfs/dbraw/zinc/31/79/39/210317939.db2.gz FNTQPHPMLRGXST-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccn2)c(F)c1 ZINC000301292300 257976415 /nfs/dbraw/zinc/97/64/15/257976415.db2.gz ULBFHISUHSMFDI-UHFFFAOYSA-N 0 0 330.344 3.525 50 5 EHBARN Cc1cc(NC(=O)NCc2nc(C3CC3)cs2)ccc1[N+](=O)[O-] ZINC000097163041 258068542 /nfs/dbraw/zinc/06/85/42/258068542.db2.gz NLJWSBUOFARRGV-UHFFFAOYSA-N 0 0 332.385 3.559 50 5 EHBARN CC(=O)c1ccc(Oc2nc(C)nc3c2CCCC3)c([N+](=O)[O-])c1 ZINC000253425954 534872196 /nfs/dbraw/zinc/87/21/96/534872196.db2.gz KJFHTMIEDDKPIK-UHFFFAOYSA-N 0 0 327.340 3.567 50 5 EHBARN Cc1ccsc1CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000032716709 563698452 /nfs/dbraw/zinc/69/84/52/563698452.db2.gz IMMVHJIHVBGBMQ-UHFFFAOYSA-N 0 0 345.424 3.811 50 5 EHBARN O=[N+]([O-])c1cccnc1Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000013658468 563931465 /nfs/dbraw/zinc/93/14/65/563931465.db2.gz JJQVFBQSJCZUGQ-UHFFFAOYSA-N 0 0 333.760 3.580 50 5 EHBARN O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3)o2)cc1 ZINC000013945477 563966497 /nfs/dbraw/zinc/96/64/97/563966497.db2.gz BLYJYFIFXFZQHF-UHFFFAOYSA-N 0 0 343.364 3.849 50 5 EHBARN CCn1c(C)nnc1COc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000097047923 563967052 /nfs/dbraw/zinc/96/70/52/563967052.db2.gz RTKKGZWONNKBGJ-UHFFFAOYSA-N 0 0 344.396 3.822 50 5 EHBARN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC ZINC000000087957 563974609 /nfs/dbraw/zinc/97/46/09/563974609.db2.gz XVNSLHIUTWRZNW-UHFFFAOYSA-N 0 0 341.323 3.637 50 5 EHBARN CCCCc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000014255782 563983711 /nfs/dbraw/zinc/98/37/11/563983711.db2.gz DKECJEYSPHXWDY-UHFFFAOYSA-N 0 0 334.397 3.738 50 5 EHBARN O=c1nc(C(F)(F)F)cc(C=Cc2cc([N+](=O)[O-])ccc2Cl)[nH]1 ZINC000033411501 563984308 /nfs/dbraw/zinc/98/43/08/563984308.db2.gz MJQNHKBQLBCQNA-UPHRSURJSA-N 0 0 345.664 3.933 50 5 EHBARN O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(Br)o2)no1 ZINC000000116799 563986768 /nfs/dbraw/zinc/98/67/68/563986768.db2.gz ZFCNZNHYRCZGNT-UHFFFAOYSA-N 0 0 336.101 3.667 50 5 EHBARN O=C(NCCc1cccc(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000168544 563987475 /nfs/dbraw/zinc/98/74/75/563987475.db2.gz XBFAJRUBSBYIPN-UHFFFAOYSA-N 0 0 339.178 3.874 50 5 EHBARN CC(C)(C)C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000000190333 563988106 /nfs/dbraw/zinc/98/81/06/563988106.db2.gz JSGPQWHGOFSLEK-UHFFFAOYSA-N 0 0 346.412 3.512 50 5 EHBARN Cc1c(C(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000000304653 563990765 /nfs/dbraw/zinc/99/07/65/563990765.db2.gz YGZFJEKSLROESA-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN O=[N+]([O-])c1ccc2[nH]c(CSc3nc4ccccc4[nH]3)nc2c1 ZINC000000307579 563990797 /nfs/dbraw/zinc/99/07/97/563990797.db2.gz CGHBSDJINGNECN-UHFFFAOYSA-N 0 0 325.353 3.640 50 5 EHBARN CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000033734982 563994120 /nfs/dbraw/zinc/99/41/20/563994120.db2.gz LNROGQZCZLYAII-WDZFZDKYSA-N 0 0 325.368 3.939 50 5 EHBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1F ZINC000000423985 563998413 /nfs/dbraw/zinc/99/84/13/563998413.db2.gz YIOIWXIHLXSGPX-OAHLLOKOSA-N 0 0 336.319 3.652 50 5 EHBARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000000476674 564006173 /nfs/dbraw/zinc/00/61/73/564006173.db2.gz VNZCNTABXGCUTA-NSHDSACASA-N 0 0 334.759 3.963 50 5 EHBARN Cc1ccc(NC(=O)c2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000000475503 564006187 /nfs/dbraw/zinc/00/61/87/564006187.db2.gz BBQCECDRSDOUCB-UHFFFAOYSA-N 0 0 325.118 3.511 50 5 EHBARN O=[N+]([O-])c1ccc2[nH]nc(Cc3ccc(Br)cc3)c2c1 ZINC000005626258 564006593 /nfs/dbraw/zinc/00/65/93/564006593.db2.gz WLAHJSOYPGIFQQ-UHFFFAOYSA-N 0 0 332.157 3.824 50 5 EHBARN CCOC1CC(CC(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000189202455 564014874 /nfs/dbraw/zinc/01/48/74/564014874.db2.gz BXIHQHRIKFIHHP-UHFFFAOYSA-N 0 0 343.383 3.595 50 5 EHBARN O=C(NC1CCCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005688150 564018789 /nfs/dbraw/zinc/01/87/89/564018789.db2.gz FFYKPDHMDHAPRK-UHFFFAOYSA-N 0 0 331.416 3.648 50 5 EHBARN C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000120495264 564021252 /nfs/dbraw/zinc/02/12/52/564021252.db2.gz LLFUHXXSUVQNPB-YPMHNXCESA-N 0 0 330.344 3.588 50 5 EHBARN O=C(OCC1=CCCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000045070352 564028071 /nfs/dbraw/zinc/02/80/71/564028071.db2.gz XTUZLWLWMFSQRI-UHFFFAOYSA-N 0 0 334.328 3.940 50 5 EHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc(-c2cccs2)no1 ZINC000024862718 564034167 /nfs/dbraw/zinc/03/41/67/564034167.db2.gz UZBFINTZMJRSCR-NSHDSACASA-N 0 0 344.396 3.899 50 5 EHBARN COc1ccc2c(CC(=O)OCc3ccccc3[N+](=O)[O-])coc2c1 ZINC000025117374 564053280 /nfs/dbraw/zinc/05/32/80/564053280.db2.gz OZBASGKDSFCUHI-UHFFFAOYSA-N 0 0 341.319 3.636 50 5 EHBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000025256517 564053963 /nfs/dbraw/zinc/05/39/63/564053963.db2.gz YNTUFXLFZPGYCQ-UHFFFAOYSA-N 0 0 349.390 3.587 50 5 EHBARN COc1ccc(OCCNc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000012565142 564059722 /nfs/dbraw/zinc/05/97/22/564059722.db2.gz ZEOFUDWUPHSETP-UHFFFAOYSA-N 0 0 339.351 3.643 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1csc(C(C)C)n1 ZINC000075110134 564080301 /nfs/dbraw/zinc/08/03/01/564080301.db2.gz FMXWGKXIAXIGNJ-UHFFFAOYSA-N 0 0 333.413 3.973 50 5 EHBARN CC(C)(C)CC(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=N ZINC000006262549 564083389 /nfs/dbraw/zinc/08/33/89/564083389.db2.gz GXXMCSKJZJVYCB-UHFFFAOYSA-N 0 0 345.399 3.765 50 5 EHBARN O=C(Nc1ccc2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1Cl ZINC000013001645 564086290 /nfs/dbraw/zinc/08/62/90/564086290.db2.gz RRSLLAHZEAWEQL-UHFFFAOYSA-N 0 0 348.742 3.662 50 5 EHBARN C[C@@H]1CCc2c(sc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc(=O)c23)C1 ZINC000006590460 564092467 /nfs/dbraw/zinc/09/24/67/564092467.db2.gz XWSKYCMXYZPYME-SECBINFHSA-N 0 0 341.392 3.685 50 5 EHBARN Cc1cc(F)cc(C(=O)N(CCC(F)(F)F)C2CCC2)c1[N+](=O)[O-] ZINC000089587326 564092995 /nfs/dbraw/zinc/09/29/95/564092995.db2.gz PNYRUORSFKMZEH-UHFFFAOYSA-N 0 0 348.296 3.989 50 5 EHBARN CC(C)Nc1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000007499454 564109280 /nfs/dbraw/zinc/10/92/80/564109280.db2.gz LSTCHYVIFRDQSR-UHFFFAOYSA-N 0 0 325.328 3.527 50 5 EHBARN COc1cccc2c(OCc3c(F)cccc3[N+](=O)[O-])ccnc12 ZINC000170613161 564109857 /nfs/dbraw/zinc/10/98/57/564109857.db2.gz XOKZVSIQDOASFJ-UHFFFAOYSA-N 0 0 328.299 3.870 50 5 EHBARN COc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000007919115 564125221 /nfs/dbraw/zinc/12/52/21/564125221.db2.gz IZHHIICKNGXTAN-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN CC(C)C(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000079112555 564137966 /nfs/dbraw/zinc/13/79/66/564137966.db2.gz AJUPKCKDKYXXGG-SFHVURJKSA-N 0 0 337.379 3.929 50 5 EHBARN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2nc(C)ccc2o1 ZINC000390833783 564138870 /nfs/dbraw/zinc/13/88/70/564138870.db2.gz MZDWZPUCKQBOOO-UHFFFAOYSA-N 0 0 341.323 3.695 50 5 EHBARN CC(C)CC(=O)N[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000096275623 564146231 /nfs/dbraw/zinc/14/62/31/564146231.db2.gz JIPQBHBCNAQAIG-OAHLLOKOSA-N 0 0 346.387 3.504 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000002648339 564151684 /nfs/dbraw/zinc/15/16/84/564151684.db2.gz RFGQZTXDUUYITO-NSHDSACASA-N 0 0 329.312 3.554 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000002648340 564151707 /nfs/dbraw/zinc/15/17/07/564151707.db2.gz RFGQZTXDUUYITO-LLVKDONJSA-N 0 0 329.312 3.554 50 5 EHBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2O)c2ncccc12 ZINC000002831230 564152826 /nfs/dbraw/zinc/15/28/26/564152826.db2.gz AZHFQMWQZSLRTA-UHFFFAOYSA-N 0 0 327.252 3.549 50 5 EHBARN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000057139152 564153292 /nfs/dbraw/zinc/15/32/92/564153292.db2.gz KHXCGHXLBUHZKW-JTQLQIEISA-N 0 0 329.331 3.792 50 5 EHBARN CCOCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000030124225 564155402 /nfs/dbraw/zinc/15/54/02/564155402.db2.gz VLWHGORSQSUTLE-UHFFFAOYSA-N 0 0 348.786 3.715 50 5 EHBARN Cc1cc(O)c(C(C)C)cc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003204644 564155906 /nfs/dbraw/zinc/15/59/06/564155906.db2.gz MSUHGCNAFXLLAL-UHFFFAOYSA-N 0 0 340.335 3.533 50 5 EHBARN CCOc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000003213899 564156023 /nfs/dbraw/zinc/15/60/23/564156023.db2.gz WBXQLZPZTILGBC-UHFFFAOYSA-N 0 0 343.364 3.856 50 5 EHBARN COc1cc([N+](=O)[O-])c(C(=O)NC2CCC(C)CC2)cc1SC ZINC000069814650 564172344 /nfs/dbraw/zinc/17/23/44/564172344.db2.gz PGOKPOVFOBJXAA-UHFFFAOYSA-N 0 0 338.429 3.634 50 5 EHBARN Cc1cc(C(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000005768540 568418092 /nfs/dbraw/zinc/41/80/92/568418092.db2.gz AHANMVMIIFCEKN-UHFFFAOYSA-N 0 0 347.392 3.979 50 5 EHBARN CC[N+](CC)(CC)Cc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)o1 ZINC000003145253 717095383 /nfs/dbraw/zinc/09/53/83/717095383.db2.gz KPCWSWIWDDDWQS-UHFFFAOYSA-N 0 0 348.307 3.968 50 5 EHBARN O=[N+]([O-])c1ccc(NCn2nc(-c3ccccc3O)oc2=S)cc1 ZINC000003878398 1016857741 /nfs/dbraw/zinc/85/77/41/1016857741.db2.gz YKOHNOWCUWBINA-UHFFFAOYSA-N 0 0 344.352 3.556 50 5 EHBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000047538272 1041710304 /nfs/dbraw/zinc/71/03/04/1041710304.db2.gz HOPYYVHHGVHWME-MRVPVSSYSA-N 0 0 332.747 3.591 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC12CC3CC(CC(C3)C1)C2 ZINC000005612698 1138416155 /nfs/dbraw/zinc/41/61/55/1138416155.db2.gz MWWLEHSGLMSCOH-SNAWJCMRSA-N 0 0 340.423 3.941 50 5 EHBARN Cc1[nH]c2ccccc2c1C(=O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000097674846 219046682 /nfs/dbraw/zinc/04/66/82/219046682.db2.gz GJKXLYYISOIUPT-UHFFFAOYSA-N 0 0 337.379 3.699 50 5 EHBARN O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000004685175 210247362 /nfs/dbraw/zinc/24/73/62/210247362.db2.gz WOJOGGOXRWKMOM-UHFFFAOYSA-N 0 0 331.715 3.877 50 5 EHBARN Cc1ccc(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1F ZINC000055825718 214342884 /nfs/dbraw/zinc/34/28/84/214342884.db2.gz LRYAKQFQPNEFSD-UHFFFAOYSA-N 0 0 328.303 3.704 50 5 EHBARN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCCc2ccccc21 ZINC000058427476 214584773 /nfs/dbraw/zinc/58/47/73/214584773.db2.gz ATJQBKNPZWPMKJ-UHFFFAOYSA-N 0 0 339.395 3.766 50 5 EHBARN CC1(C)OC(=O)C(Cc2c3ccccc3cc3ccccc32)C(=O)O1 ZINC000004530614 210215241 /nfs/dbraw/zinc/21/52/41/210215241.db2.gz FEMLARJWKSPPHI-UHFFFAOYSA-N 0 0 334.371 3.988 50 5 EHBARN CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100909180 219110734 /nfs/dbraw/zinc/11/07/34/219110734.db2.gz AIIQFBUZMIZEOJ-VLGSPTGOSA-N 0 0 345.355 3.511 50 5 EHBARN COC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000004366237 210179995 /nfs/dbraw/zinc/17/99/95/210179995.db2.gz UHGVSVCHYIOYKF-UHFFFAOYSA-N 0 0 341.245 3.539 50 5 EHBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(F)cc1 ZINC000004070393 210112415 /nfs/dbraw/zinc/11/24/15/210112415.db2.gz UBDNNFUELIIQFI-UHFFFAOYSA-N 0 0 344.327 3.505 50 5 EHBARN CCOc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1 ZINC000003901226 210087554 /nfs/dbraw/zinc/08/75/54/210087554.db2.gz CZOGZWXKHLMRMK-BJMVGYQFSA-N 0 0 338.319 3.665 50 5 EHBARN Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1C1CC1 ZINC000003444418 210041600 /nfs/dbraw/zinc/04/16/00/210041600.db2.gz LUINSKSYHMTYSL-UHFFFAOYSA-N 0 0 332.331 3.749 50 5 EHBARN CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000002101852 209819775 /nfs/dbraw/zinc/81/97/75/209819775.db2.gz PXYKJLSLPBTNBT-INIZCTEOSA-N 0 0 343.339 3.693 50 5 EHBARN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000040510141 213327295 /nfs/dbraw/zinc/32/72/95/213327295.db2.gz LEQJVGFMWGQXNW-QMMMGPOBSA-N 0 0 325.777 3.504 50 5 EHBARN Cc1cc(C)cc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000001770379 209791304 /nfs/dbraw/zinc/79/13/04/209791304.db2.gz UTEYFXZASKEWMQ-UHFFFAOYSA-N 0 0 348.786 3.674 50 5 EHBARN COc1ccccc1-c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000040087680 213260353 /nfs/dbraw/zinc/26/03/53/213260353.db2.gz LFCQFSLPQFMADU-UHFFFAOYSA-N 0 0 339.307 3.511 50 5 EHBARN O=C(Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccccc1 ZINC000000613341 209678441 /nfs/dbraw/zinc/67/84/41/209678441.db2.gz RJFXEJXAJQTQDL-UHFFFAOYSA-N 0 0 339.376 3.900 50 5 aggregator EHBARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000376255 209558277 /nfs/dbraw/zinc/55/82/77/209558277.db2.gz SLKLBZVQHBHSME-LBPRGKRZSA-N 0 0 332.787 3.999 50 5 EHBARN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 ZINC000021556104 212231774 /nfs/dbraw/zinc/23/17/74/212231774.db2.gz OIQSDTMMWXMRFK-UHFFFAOYSA-N 0 0 339.395 3.914 50 5 EHBARN Cc1nc(NCc2ccco2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000012421360 211374708 /nfs/dbraw/zinc/37/47/08/211374708.db2.gz LOHUWQDJHJESPR-UHFFFAOYSA-N 0 0 325.328 3.642 50 5 EHBARN Cc1cc(CN(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC000092254091 218130621 /nfs/dbraw/zinc/13/06/21/218130621.db2.gz GPMFUKPUWJRBNZ-UHFFFAOYSA-N 0 0 344.396 3.647 50 5 EHBARN COc1ccc(NC(=O)Cc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000010252362 211157749 /nfs/dbraw/zinc/15/77/49/211157749.db2.gz AMQHLLLQRZRJLW-UHFFFAOYSA-N 0 0 332.381 3.507 50 5 EHBARN CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000009217338 211053073 /nfs/dbraw/zinc/05/30/73/211053073.db2.gz ZUFYVQLJQZODQT-UHFFFAOYSA-N 0 0 348.742 3.677 50 5 EHBARN Cc1cc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc(C)c1Cl ZINC000005050921 210376122 /nfs/dbraw/zinc/37/61/22/210376122.db2.gz NZQHHCNWIUDVKU-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004980374 210348766 /nfs/dbraw/zinc/34/87/66/210348766.db2.gz ZUBNSPMZHCTKOJ-UHFFFAOYSA-N 0 0 348.424 3.829 50 5 EHBARN Cc1c(C(=O)CSc2ccc([N+](=O)[O-])cn2)c2ccccc2n1C ZINC000004999357 210355576 /nfs/dbraw/zinc/35/55/76/210355576.db2.gz SIXWBJQZZRDNTC-UHFFFAOYSA-N 0 0 341.392 3.765 50 5 EHBARN CN(C)C(=O)c1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000097286513 219008790 /nfs/dbraw/zinc/00/87/90/219008790.db2.gz IRDXIOXRDNTUMA-UHFFFAOYSA-N 0 0 337.335 3.637 50 5 EHBARN Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000004830195 210291249 /nfs/dbraw/zinc/29/12/49/210291249.db2.gz OKTHJURGBZVHFN-UHFFFAOYSA-N 0 0 342.380 3.510 50 5 EHBARN Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004825300 210288911 /nfs/dbraw/zinc/28/89/11/210288911.db2.gz AGMJEFZURLSJAF-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN CN(C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000004747843 210268388 /nfs/dbraw/zinc/26/83/88/210268388.db2.gz FQAHYAKNJNQJRW-UHFFFAOYSA-N 0 0 345.443 3.990 50 5 EHBARN COc1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1O ZINC000007133461 258052982 /nfs/dbraw/zinc/05/29/82/258052982.db2.gz ZLBWYYRNYALDBC-WDZFZDKYSA-N 0 0 345.742 3.922 50 5 EHBARN CCC[C@@H](C)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000006820227 135677406 /nfs/dbraw/zinc/67/74/06/135677406.db2.gz XHDHGVPUKPUEMU-CQSZACIVSA-N 0 0 333.432 3.750 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCc2cccc(F)c21 ZINC000012729598 135697976 /nfs/dbraw/zinc/69/79/76/135697976.db2.gz SASSQKRIVHIMBW-UHFFFAOYSA-N 0 0 334.734 3.980 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000043127062 563845792 /nfs/dbraw/zinc/84/57/92/563845792.db2.gz UOFPZLHTEJISLM-SNVBAGLBSA-N 0 0 333.319 3.625 50 5 EHBARN Cc1cccc(C2=N/C(=C\C=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 ZINC000013798911 563934861 /nfs/dbraw/zinc/93/48/61/563934861.db2.gz HMZVWRXWKRYSBL-CZMAMTTRSA-N 0 0 334.331 3.804 50 5 EHBARN Cc1ncc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000058157637 563938130 /nfs/dbraw/zinc/93/81/30/563938130.db2.gz ACKBNTGYXIQVIS-UHFFFAOYSA-N 0 0 340.792 3.677 50 5 EHBARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000004804376 563974826 /nfs/dbraw/zinc/97/48/26/563974826.db2.gz FDOZRIJNVPPKQY-LBPRGKRZSA-N 0 0 328.343 3.644 50 5 EHBARN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000094408 563976622 /nfs/dbraw/zinc/97/66/22/563976622.db2.gz OSOBBRZDJXXSCL-UHFFFAOYSA-N 0 0 337.379 3.665 50 5 biogenic,in-vitro EHBARN Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000000145280 563987080 /nfs/dbraw/zinc/98/70/80/563987080.db2.gz LOZUIFLFHJBMCC-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN COc1ccc(OC)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000000168643 563987460 /nfs/dbraw/zinc/98/74/60/563987460.db2.gz ZJZPMJDSQOBEDI-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=C(Nc1ccc(Br)cc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000000258371 563989569 /nfs/dbraw/zinc/98/95/69/563989569.db2.gz XBHJVCSLUTYWIK-UHFFFAOYSA-N 0 0 339.120 3.749 50 5 EHBARN Cc1ccccc1C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000000344627 563991349 /nfs/dbraw/zinc/99/13/49/563991349.db2.gz IWKGQAJFRUHZSK-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NCc1ccccc1Br ZINC000000366786 563991639 /nfs/dbraw/zinc/99/16/39/563991639.db2.gz SNKWVGARPFSCED-UHFFFAOYSA-N 0 0 337.173 3.978 50 5 EHBARN O=C(Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005049753 563994009 /nfs/dbraw/zinc/99/40/09/563994009.db2.gz VIYNOKBXKULTEU-UHFFFAOYSA-N 0 0 339.395 3.766 50 5 EHBARN CN(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024236118 563998186 /nfs/dbraw/zinc/99/81/86/563998186.db2.gz RKMCFVHHDASKNQ-UHFFFAOYSA-N 0 0 342.380 3.868 50 5 EHBARN CCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000000444335 563999572 /nfs/dbraw/zinc/99/95/72/563999572.db2.gz LDKBWUWRPONVCP-UHFFFAOYSA-N 0 0 341.367 3.894 50 5 EHBARN O=[N+]([O-])c1ccc(-c2noc(COc3ccccc3Cl)n2)cc1 ZINC000000455455 563999746 /nfs/dbraw/zinc/99/97/46/563999746.db2.gz AMUBAGHKPDMTRU-UHFFFAOYSA-N 0 0 331.715 3.877 50 5 EHBARN Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1C ZINC000000454426 563999794 /nfs/dbraw/zinc/99/97/94/563999794.db2.gz BKLKRBYLYQUMOL-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN CCCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005259984 564001563 /nfs/dbraw/zinc/00/15/63/564001563.db2.gz PWFZAXDWTNUTGV-UHFFFAOYSA-N 0 0 334.397 3.738 50 5 EHBARN O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000017245764 564011471 /nfs/dbraw/zinc/01/14/71/564011471.db2.gz UVLMIKAQIAXZPT-UHFFFAOYSA-N 0 0 348.318 3.983 50 5 EHBARN O=C1OC(C=Cc2cccc([N+](=O)[O-])c2)=NC1=CNc1ccccc1 ZINC000018069341 564017865 /nfs/dbraw/zinc/01/78/65/564017865.db2.gz YYDXBLKILQTOAM-KDNHCMJDSA-N 0 0 335.319 3.517 50 5 EHBARN O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000103965680 564023402 /nfs/dbraw/zinc/02/34/02/564023402.db2.gz PLCHXOZXFGJLJR-UHFFFAOYSA-N 0 0 342.742 3.891 50 5 EHBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H](C)C[C@H](C)C1 ZINC000104811710 564024174 /nfs/dbraw/zinc/02/41/74/564024174.db2.gz JGRWPLHDOMCWBB-GRYCIOLGSA-N 0 0 339.823 3.553 50 5 EHBARN CCN(Cc1nc(-c2ccsc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000048040931 564029836 /nfs/dbraw/zinc/02/98/36/564029836.db2.gz ADAQTWWAAWMPCW-UHFFFAOYSA-N 0 0 344.396 3.728 50 5 EHBARN CCOc1ccc([C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000611987 564031786 /nfs/dbraw/zinc/03/17/86/564031786.db2.gz GUAKNSCPEPFSFR-LBPRGKRZSA-N 0 0 329.356 3.876 50 5 EHBARN CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000613491 564031839 /nfs/dbraw/zinc/03/18/39/564031839.db2.gz GBIKZSKZMDIUPH-AWEZNQCLSA-N 0 0 329.381 3.744 50 5 EHBARN O=C(c1ccccn1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063449616 564057506 /nfs/dbraw/zinc/05/75/06/564057506.db2.gz RTHOEBPKGQZATK-UHFFFAOYSA-N 0 0 331.759 3.700 50 5 EHBARN CCOc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000025879518 564065130 /nfs/dbraw/zinc/06/51/30/564065130.db2.gz LRODMCBXEDIDTK-GOSISDBHSA-N 0 0 340.379 3.875 50 5 EHBARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000012859510 564075676 /nfs/dbraw/zinc/07/56/76/564075676.db2.gz QTLSKAASRCRKSN-STQMWFEESA-N 0 0 328.368 3.973 50 5 EHBARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000075117702 564080339 /nfs/dbraw/zinc/08/03/39/564080339.db2.gz LFRHJOPVEIJZEF-HNNXBMFYSA-N 0 0 328.368 3.940 50 5 EHBARN CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007989880 564089177 /nfs/dbraw/zinc/08/91/77/564089177.db2.gz OBIGNGIQPRCWBK-GFCCVEGCSA-N 0 0 335.381 3.876 50 5 EHBARN O=[N+]([O-])c1cccc(NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000007116074 564105091 /nfs/dbraw/zinc/10/50/91/564105091.db2.gz DYZBAABHNONHAU-UHFFFAOYSA-N 0 0 330.731 3.910 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC(CCc3ccc(O)cc3)CC2)nc1 ZINC000065492213 564106465 /nfs/dbraw/zinc/10/64/65/564106465.db2.gz KQFSQDNRPGZZDL-UHFFFAOYSA-N 0 0 327.384 3.545 50 5 EHBARN Cc1ccc([C@H](C)Nc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000170592770 564108890 /nfs/dbraw/zinc/10/88/90/564108890.db2.gz DEBXNEBCPVFXPL-NPMABZOXSA-N 0 0 332.425 3.955 50 5 EHBARN Cc1nn(CCC(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000170621261 564110190 /nfs/dbraw/zinc/11/01/90/564110190.db2.gz SWWRNQVOODZYGO-BZUAXINKSA-N 0 0 349.431 3.700 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCOc2cc(Cl)c(Cl)cc21 ZINC000390833017 564120226 /nfs/dbraw/zinc/12/02/26/564120226.db2.gz ARUNKOPAZFIQRY-UHFFFAOYSA-N 0 0 343.122 3.534 50 5 EHBARN Cc1ccc(OCCCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000195692327 564124096 /nfs/dbraw/zinc/12/40/96/564124096.db2.gz YHPKNPUNUPJCCV-UHFFFAOYSA-N 0 0 342.395 3.801 50 5 EHBARN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000007922843 564125492 /nfs/dbraw/zinc/12/54/92/564125492.db2.gz FXGFZIRXUBCTCV-KRWDZBQOSA-N 0 0 328.368 3.731 50 5 EHBARN COc1ccc(Nc2c(F)cc([N+](=O)[O-])cc2F)cc1NC(C)=O ZINC000301786324 564134379 /nfs/dbraw/zinc/13/43/79/564134379.db2.gz LUEDBBJRLUZYAU-UHFFFAOYSA-N 0 0 337.282 3.584 50 5 EHBARN Cc1c(C(=O)NC2CCCCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003106266 564155170 /nfs/dbraw/zinc/15/51/70/564155170.db2.gz VQDXBGSEEBAXJF-UHFFFAOYSA-N 0 0 335.360 3.654 50 5 EHBARN O=C(CSc1cccc2cccnc21)Nc1cccc([N+](=O)[O-])c1 ZINC000003127112 564155268 /nfs/dbraw/zinc/15/52/68/564155268.db2.gz BXQWOVIQAJAFNU-UHFFFAOYSA-N 0 0 339.376 3.874 50 5 EHBARN O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000058138446 564157726 /nfs/dbraw/zinc/15/77/26/564157726.db2.gz DYYWUBKRATWAOQ-UHFFFAOYSA-N 0 0 342.742 3.686 50 5 EHBARN CC(C)(C)c1ncc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000058225733 564158086 /nfs/dbraw/zinc/15/80/86/564158086.db2.gz BIGXMQJCCGMDQX-UHFFFAOYSA-N 0 0 334.763 3.588 50 5 EHBARN CSC1=NC(c2ccc(C)cc2)=NCN1c1ccc([N+](=O)[O-])cc1 ZINC000004123432 564160746 /nfs/dbraw/zinc/16/07/46/564160746.db2.gz AWUZWIFOGVSNNU-UHFFFAOYSA-N 0 0 340.408 3.847 50 5 EHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc(-c2ccco2)s1 ZINC000171444380 564164736 /nfs/dbraw/zinc/16/47/36/564164736.db2.gz OBMWNZHPNVVDPS-UHFFFAOYSA-N 0 0 343.364 3.584 50 5 EHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1nc2ccccc2s1 ZINC000007506945 1026226170 /nfs/dbraw/zinc/22/61/70/1026226170.db2.gz FVUJKEXEVOEFJZ-MDZDMXLPSA-N 0 0 340.360 3.961 50 5 EHBARN Cc1nn(C)c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000051855056 214106625 /nfs/dbraw/zinc/10/66/25/214106625.db2.gz VCDFNKWSLLAHHS-QMMMGPOBSA-N 0 0 328.294 3.829 50 5 EHBARN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1c(C)noc1C ZINC000162940898 529530249 /nfs/dbraw/zinc/53/02/49/529530249.db2.gz HTESOCVXDRDWLQ-ZDUSSCGKSA-N 0 0 332.360 3.781 50 5 EHBARN O=C(CSc1cnc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000004275532 210158563 /nfs/dbraw/zinc/15/85/63/210158563.db2.gz AJCMUHVBLDVGTJ-UHFFFAOYSA-N 0 0 325.349 3.513 50 5 EHBARN Nc1ncnc(Nc2cc(Cl)c(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000004059589 210110433 /nfs/dbraw/zinc/11/04/33/210110433.db2.gz RUGKQRVYISASDP-UHFFFAOYSA-N 0 0 334.550 3.671 50 5 EHBARN Cc1ccc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000004043742 210107583 /nfs/dbraw/zinc/10/75/83/210107583.db2.gz OEDKRPCBGAAHNU-UHFFFAOYSA-N 0 0 328.368 3.846 50 5 EHBARN CC(C)COC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000004056231 210108530 /nfs/dbraw/zinc/10/85/30/210108530.db2.gz YUSDQCZGVSKCLA-CYBMUJFWSA-N 0 0 340.375 3.913 50 5 EHBARN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1F ZINC000003411196 210031838 /nfs/dbraw/zinc/03/18/38/210031838.db2.gz ZWDSCTHPOKMSAS-UHFFFAOYSA-N 0 0 346.339 3.688 50 5 EHBARN COc1ccccc1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003342664 210013826 /nfs/dbraw/zinc/01/38/26/210013826.db2.gz HIJOEBLTYIISLM-SNVBAGLBSA-N 0 0 349.774 3.696 50 5 EHBARN O=C(Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002898518 209939676 /nfs/dbraw/zinc/93/96/76/209939676.db2.gz OAHCXBMHUNGIMI-UHFFFAOYSA-N 0 0 339.666 3.548 50 5 EHBARN C[C@@H](c1ccccn1)N(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000067985633 215268145 /nfs/dbraw/zinc/26/81/45/215268145.db2.gz SNLTYVLSMUNRCE-JTQLQIEISA-N 0 0 347.321 3.634 50 5 EHBARN Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000104234264 219362776 /nfs/dbraw/zinc/36/27/76/219362776.db2.gz VFQGZQWXWOULDW-UHFFFAOYSA-N 0 0 332.272 3.772 50 5 EHBARN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000069351630 215386506 /nfs/dbraw/zinc/38/65/06/215386506.db2.gz PLZJOUCNSRXCFK-AWEZNQCLSA-N 0 0 346.408 3.649 50 5 EHBARN COc1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000069769795 215568131 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VCMVBAPTPWBRDW-UHFFFAOYSA-N 0 0 341.392 3.598 50 5 EHBARN CC(=O)c1ccc(NCCN2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000058406572 564159033 /nfs/dbraw/zinc/15/90/33/564159033.db2.gz HANLJELCXXTQLS-UHFFFAOYSA-N 0 0 339.395 3.662 50 5 EHBARN O=[N+]([O-])c1ccccc1OCCSc1ncnc2ccccc21 ZINC000053395488 214181595 /nfs/dbraw/zinc/18/15/95/214181595.db2.gz WWENVHRSIFPDHZ-UHFFFAOYSA-N 0 0 327.365 3.709 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(CO)c(F)c1 ZINC000053601936 214190283 /nfs/dbraw/zinc/19/02/83/214190283.db2.gz NZYLPGMOCBTRRS-UHFFFAOYSA-N 0 0 344.264 3.857 50 5 EHBARN CC1=C(C)[C@H](Nc2ccccc2[N+](=O)[O-])N(Cc2ccccc2)C1=O ZINC000004663324 210239782 /nfs/dbraw/zinc/23/97/82/210239782.db2.gz LLHPYNDRLSDPDV-GOSISDBHSA-N 0 0 337.379 3.712 50 5 EHBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1(c2ccccc2)CCC1 ZINC000058430446 214586024 /nfs/dbraw/zinc/58/60/24/214586024.db2.gz USYBTJUBGWXTGY-UHFFFAOYSA-N 0 0 349.390 3.745 50 5 EHBARN O=C(CSc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004496613 210203910 /nfs/dbraw/zinc/20/39/10/210203910.db2.gz SJLXECUGTSZPAA-UHFFFAOYSA-N 0 0 345.405 3.935 50 5 EHBARN Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000004310087 210166421 /nfs/dbraw/zinc/16/64/21/210166421.db2.gz HDEOPQGOHSXECM-UHFFFAOYSA-N 0 0 343.408 3.647 50 5 EHBARN Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000004306334 210164767 /nfs/dbraw/zinc/16/47/67/210164767.db2.gz SDIUMNMQYNVTQT-UHFFFAOYSA-N 0 0 340.318 3.593 50 5 EHBARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000004032009 210104677 /nfs/dbraw/zinc/10/46/77/210104677.db2.gz XFHUVRDOFXUZPY-KBRIMQKVSA-N 0 0 335.400 3.978 50 5 EHBARN CC(C)CC(=O)N[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000102004842 219179689 /nfs/dbraw/zinc/17/96/89/219179689.db2.gz UKUUUKTWXDVWKF-HNNXBMFYSA-N 0 0 346.387 3.504 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000044884748 213658125 /nfs/dbraw/zinc/65/81/25/213658125.db2.gz FWRIOKZSKDUUPU-QWRGUYRKSA-N 0 0 346.305 3.911 50 5 EHBARN O=[N+]([O-])c1ccc(Oc2ccc(-c3nnco3)cc2)c2ccncc21 ZINC000003443964 210041594 /nfs/dbraw/zinc/04/15/94/210041594.db2.gz LDLXPEJCEACAGM-UHFFFAOYSA-N 0 0 334.291 3.985 50 5 EHBARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000003365729 210018688 /nfs/dbraw/zinc/01/86/88/210018688.db2.gz NDFWPIGYGSUQOF-UHFFFAOYSA-N 0 0 348.380 3.589 50 5 EHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2s1 ZINC000002631364 209877914 /nfs/dbraw/zinc/87/79/14/209877914.db2.gz KHKDLVNGARUJOX-UHFFFAOYSA-N 0 0 345.405 3.935 50 5 EHBARN CCOc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104231089 219363642 /nfs/dbraw/zinc/36/36/42/219363642.db2.gz AJGQPKHCTZQAOX-UHFFFAOYSA-N 0 0 348.271 3.554 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1cccc2cccnc21 ZINC000002155946 209825345 /nfs/dbraw/zinc/82/53/45/209825345.db2.gz LSAVGWBQAHUDTF-UHFFFAOYSA-N 0 0 339.307 3.763 50 5 EHBARN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000036398158 213098014 /nfs/dbraw/zinc/09/80/14/213098014.db2.gz VPFLONOEKOTIBA-VIFPVBQESA-N 0 0 344.758 3.616 50 5 EHBARN CCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000000446114 209605344 /nfs/dbraw/zinc/60/53/44/209605344.db2.gz VEKVNUVCSIOILO-UHFFFAOYSA-N 0 0 343.364 3.856 50 5 EHBARN O=C1OC(c2ccc(F)cc2)=N/C1=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033305736 212921010 /nfs/dbraw/zinc/92/10/10/212921010.db2.gz YIFYJVAUOFALJO-QFJUEOODSA-N 0 0 338.294 3.635 50 5 EHBARN O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1F ZINC000000423922 209587359 /nfs/dbraw/zinc/58/73/59/209587359.db2.gz OUKRGYWJWLYFRZ-HNNXBMFYSA-N 0 0 336.319 3.652 50 5 EHBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1 ZINC000000305177 209527111 /nfs/dbraw/zinc/52/71/11/209527111.db2.gz NTQICUPMHHIXLS-UHFFFAOYSA-N 0 0 333.347 3.837 50 5 EHBARN O=c1c2c(-c3ccc([N+](=O)[O-])cc3)csc2nc2n1CCCCC2 ZINC000000207032 209484916 /nfs/dbraw/zinc/48/49/16/209484916.db2.gz APNBIGLPAIKUFN-UHFFFAOYSA-N 0 0 341.392 3.760 50 5 EHBARN COc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 ZINC000000187729 209471860 /nfs/dbraw/zinc/47/18/60/209471860.db2.gz JLJNEMHKPQLNBX-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN Cc1c(C(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000000102235 209421785 /nfs/dbraw/zinc/42/17/85/209421785.db2.gz QPTPBEQGMAICSK-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc([N+](=O)[O-])c1 ZINC000000083739 209408578 /nfs/dbraw/zinc/40/85/78/209408578.db2.gz UELBBTJQUAXHNQ-UHFFFAOYSA-N 0 0 343.342 3.961 50 5 EHBARN O=C(Nc1cccc(-c2nnco2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000024736861 212435916 /nfs/dbraw/zinc/43/59/16/212435916.db2.gz ZOVPHIWNYCBFAB-UHFFFAOYSA-N 0 0 344.714 3.551 50 5 EHBARN C[C@@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023076486 212346401 /nfs/dbraw/zinc/34/64/01/212346401.db2.gz RIHRRBNAPQASOZ-CYBMUJFWSA-N 0 0 348.399 3.826 50 5 EHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000022191926 212281400 /nfs/dbraw/zinc/28/14/00/212281400.db2.gz WXONVWMQBXLJNB-TVQRCGJNSA-N 0 0 331.199 3.698 50 5 EHBARN CC(C)c1noc(-c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)n1 ZINC000020898122 212182728 /nfs/dbraw/zinc/18/27/28/212182728.db2.gz XHDAAEFUECSLCR-UHFFFAOYSA-N 0 0 328.328 3.973 50 5 EHBARN Cc1nn(-c2ccccc2)c(Cl)c1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000019314627 212014269 /nfs/dbraw/zinc/01/42/69/212014269.db2.gz GQDXXBRMDLLAAO-UHFFFAOYSA-N 0 0 345.790 3.604 50 5 EHBARN Cc1cc(-c2nn3c(nnc3-c3cccs3)s2)ccc1[N+](=O)[O-] ZINC000009227278 211055499 /nfs/dbraw/zinc/05/54/99/211055499.db2.gz OCQYWNPQMHWWJW-UHFFFAOYSA-N 0 0 343.393 3.798 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NCc1cc(=O)oc2cc(C)ccc12 ZINC000009157463 211047137 /nfs/dbraw/zinc/04/71/37/211047137.db2.gz JJJSBMAMRSVDAJ-UHFFFAOYSA-N 0 0 340.335 3.630 50 5 EHBARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095416340 218354716 /nfs/dbraw/zinc/35/47/16/218354716.db2.gz OTHBZAOIOPRPNK-UHFFFAOYSA-N 0 0 340.166 3.569 50 5 EHBARN CCOC(=O)c1c(C)[nH]c(/C=C\[N+](=O)[O-])c1Cc1cccc(Cl)c1 ZINC000006909883 210741013 /nfs/dbraw/zinc/74/10/13/210741013.db2.gz ZOQBVWLHGUTXAD-FPLPWBNLSA-N 0 0 348.786 3.991 50 5 EHBARN COCCNc1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000005065089 210382322 /nfs/dbraw/zinc/38/23/22/210382322.db2.gz CVKNQGPQQFAQFV-UHFFFAOYSA-N 0 0 349.774 3.559 50 5 EHBARN CCSc1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000055704325 258061238 /nfs/dbraw/zinc/06/12/38/258061238.db2.gz LGJVXGXEFFQVJY-UHFFFAOYSA-N 0 0 332.381 3.724 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000055543937 132196169 /nfs/dbraw/zinc/19/61/69/132196169.db2.gz UHHCLTUUWUBPAG-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN C[C@H]1CCCN(c2ccc(C(=O)NC3CCCC3)cc2[N+](=O)[O-])C1 ZINC000004660676 135665317 /nfs/dbraw/zinc/66/53/17/135665317.db2.gz SWCOLCWHSGFQQH-ZDUSSCGKSA-N 0 0 331.416 3.504 50 5 EHBARN Cc1cccc(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn32)c1 ZINC000013723489 563717642 /nfs/dbraw/zinc/71/76/42/563717642.db2.gz XQIPYEVPWWCNKI-UHFFFAOYSA-N 0 0 337.364 3.736 50 5 EHBARN O=[N+]([O-])c1cccnc1N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000032825115 563755902 /nfs/dbraw/zinc/75/59/02/563755902.db2.gz CZFDVVSBTSGTTE-INIZCTEOSA-N 0 0 349.394 3.724 50 5 EHBARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000032837445 563759691 /nfs/dbraw/zinc/75/96/91/563759691.db2.gz CEIQTNGBWSBQOA-YPMHNXCESA-N 0 0 329.356 3.975 50 5 EHBARN Cc1ccc(C(=O)NCCCO[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000032907533 563799385 /nfs/dbraw/zinc/79/93/85/563799385.db2.gz HOBBQASOVGXFAI-OAHLLOKOSA-N 0 0 342.395 3.801 50 5 EHBARN Cc1c(F)cc(C(=O)N(C)c2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000072296660 563912617 /nfs/dbraw/zinc/91/26/17/563912617.db2.gz PBXGPKLCMNRCFY-UHFFFAOYSA-N 0 0 339.326 3.867 50 5 EHBARN CNC(=O)c1ccc(N[C@H](C)c2csc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000071920594 563983492 /nfs/dbraw/zinc/98/34/92/563983492.db2.gz ABPIHMBFKNOYMP-SNVBAGLBSA-N 0 0 348.428 3.707 50 5 EHBARN Cc1ccc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000283457 563990174 /nfs/dbraw/zinc/99/01/74/563990174.db2.gz ODPRBCRNWSPWCD-UHFFFAOYSA-N 0 0 333.727 3.596 50 5 EHBARN CCCC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000304064 563990773 /nfs/dbraw/zinc/99/07/73/563990773.db2.gz LDUAHVRKCJBHJL-UHFFFAOYSA-N 0 0 341.367 3.894 50 5 EHBARN Cc1ccc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000316967 563990931 /nfs/dbraw/zinc/99/09/31/563990931.db2.gz JEGLRWVBJVQQJV-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Nc2ncccn2)cc1 ZINC000408514944 563992944 /nfs/dbraw/zinc/99/29/44/563992944.db2.gz GJGJUPWIDTXZDU-UHFFFAOYSA-N 0 0 349.350 3.689 50 5 EHBARN N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 ZINC000033908413 564000240 /nfs/dbraw/zinc/00/02/40/564000240.db2.gz UXBYECZJGLSKMF-SDQBBNPISA-N 0 0 349.755 3.647 50 5 EHBARN Cc1ccc(C)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000005698246 564019280 /nfs/dbraw/zinc/01/92/80/564019280.db2.gz RIWNKUBKHYXBFB-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1 ZINC000000609994 564027167 /nfs/dbraw/zinc/02/71/67/564027167.db2.gz IPFRDGMABCEJFS-UHFFFAOYSA-N 0 0 338.335 3.745 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000044884754 564027618 /nfs/dbraw/zinc/02/76/18/564027618.db2.gz FWRIOKZSKDUUPU-WDEREUQCSA-N 0 0 346.305 3.911 50 5 EHBARN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000620710 564033161 /nfs/dbraw/zinc/03/31/61/564033161.db2.gz HYJCVFQGEGAQMS-UHFFFAOYSA-N 0 0 328.368 3.981 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccccc1 ZINC000025314308 564054127 /nfs/dbraw/zinc/05/41/27/564054127.db2.gz ZFVTYXDABXUHHU-INIZCTEOSA-N 0 0 325.368 3.834 50 5 EHBARN CC(=O)c1cc(CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000025318309 564054131 /nfs/dbraw/zinc/05/41/31/564054131.db2.gz MRULFTNYJGQRLD-UHFFFAOYSA-N 0 0 330.340 3.579 50 5 EHBARN C[C@H](C(=O)Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000001108227 564054357 /nfs/dbraw/zinc/05/43/57/564054357.db2.gz QBQBVHKIMGQJFM-JTQLQIEISA-N 0 0 327.365 3.947 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000012743068 564065518 /nfs/dbraw/zinc/06/55/18/564065518.db2.gz JNRGTVJAMWPOAV-UHFFFAOYSA-N 0 0 347.396 3.581 50 5 EHBARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000012763293 564067873 /nfs/dbraw/zinc/06/78/73/564067873.db2.gz YQGJWVUCALSNQC-UHFFFAOYSA-N 0 0 345.405 3.961 50 5 EHBARN Cc1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000006045060 564072564 /nfs/dbraw/zinc/07/25/64/564072564.db2.gz FABIBDWNRVJNDU-UHFFFAOYSA-N 0 0 326.381 3.776 50 5 EHBARN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000016228008 564081055 /nfs/dbraw/zinc/08/10/55/564081055.db2.gz IOVAAOQGLXGCGW-GFCCVEGCSA-N 0 0 330.409 3.850 50 5 EHBARN CCc1nnc(COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)o1 ZINC000012980606 564085419 /nfs/dbraw/zinc/08/54/19/564085419.db2.gz PEDRRRLNKKJGDR-UHFFFAOYSA-N 0 0 339.351 3.710 50 5 EHBARN Cc1csc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000006720237 564096362 /nfs/dbraw/zinc/09/63/62/564096362.db2.gz YHJBTJKCSMUWBX-UHFFFAOYSA-N 0 0 349.415 3.558 50 5 EHBARN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cc(C(C)(C)C)[nH]c32)C[C@H](C)O1 ZINC000019735969 564138019 /nfs/dbraw/zinc/13/80/19/564138019.db2.gz ARBMPOWFFSKILU-RYUDHWBXSA-N 0 0 331.416 3.987 50 5 EHBARN O=[N+]([O-])c1cn([C@H]2CCCc3ccc(F)cc32)nc1-c1nccs1 ZINC000225653800 564150159 /nfs/dbraw/zinc/15/01/59/564150159.db2.gz HXWNRKRSEAWYTB-ZDUSSCGKSA-N 0 0 344.371 3.980 50 5 EHBARN Cc1cccc(C(=O)n2ccccc2=NC2CCCCC2)c1[N+](=O)[O-] ZINC000254593558 564150399 /nfs/dbraw/zinc/15/03/99/564150399.db2.gz NJIHAYQGFPRCFL-UHFFFAOYSA-N 0 0 339.395 3.627 50 5 EHBARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000002763517 564152533 /nfs/dbraw/zinc/15/25/33/564152533.db2.gz YJFMLQCWKFZPAY-LBPRGKRZSA-N 0 0 332.331 3.757 50 5 EHBARN Cc1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000002899510 564152961 /nfs/dbraw/zinc/15/29/61/564152961.db2.gz UBSMWAAIHIQTCT-UHFFFAOYSA-N 0 0 346.211 3.851 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSc1ccccc1 ZINC000002982384 564154041 /nfs/dbraw/zinc/15/40/41/564154041.db2.gz XRFJSCDYKNOHHV-MDZDMXLPSA-N 0 0 328.393 3.517 50 5 EHBARN O=C(Cc1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000003187549 564155725 /nfs/dbraw/zinc/15/57/25/564155725.db2.gz JCMJNRPLMKTDTO-UHFFFAOYSA-N 0 0 339.376 3.900 50 5 EHBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000003192439 564155831 /nfs/dbraw/zinc/15/58/31/564155831.db2.gz FBTUSHYNLSHMIO-UHFFFAOYSA-N 0 0 328.375 3.679 50 5 EHBARN O=C(Nc1cc(-n2cccc2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000058185096 564157998 /nfs/dbraw/zinc/15/79/98/564157998.db2.gz NZODJVCTBFVTFF-UHFFFAOYSA-N 0 0 325.299 3.777 50 5 EHBARN C[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000008024052 564162220 /nfs/dbraw/zinc/16/22/20/564162220.db2.gz BXMZLADIJJWEST-ZDUSSCGKSA-N 0 0 339.395 3.703 50 5 EHBARN O=C(Nc1ccc(F)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008291808 564164042 /nfs/dbraw/zinc/16/40/42/564164042.db2.gz OSUNMSZKHPMIKW-UHFFFAOYSA-N 0 0 343.358 3.589 50 5 EHBARN O=c1nc(C(F)(F)F)cc(C=Cc2cc([N+](=O)[O-])ccc2Cl)[nH]1 ZINC000008579369 564165731 /nfs/dbraw/zinc/16/57/31/564165731.db2.gz MJQNHKBQLBCQNA-OWOJBTEDSA-N 0 0 345.664 3.521 50 5 EHBARN Cc1csc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)n1 ZINC000069588650 564170746 /nfs/dbraw/zinc/17/07/46/564170746.db2.gz GMHMBZLLGRASMQ-UHFFFAOYSA-N 0 0 345.424 3.688 50 5 EHBARN Cc1noc(C)c1CN(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000069698751 564171569 /nfs/dbraw/zinc/17/15/69/564171569.db2.gz KOZAXMWDRQAJPV-UHFFFAOYSA-N 0 0 333.388 3.619 50 5 EHBARN CN(Cc1nc(C(F)(F)F)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000174970506 564175093 /nfs/dbraw/zinc/17/50/93/564175093.db2.gz UCNTVCJTIIAPRM-UHFFFAOYSA-N 0 0 331.319 3.702 50 5 EHBARN O=C(C=Cc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(Cl)cc1 ZINC000033684678 1127530726 /nfs/dbraw/zinc/53/07/26/1127530726.db2.gz QGEWFMLYVUAPKP-YFHOEESVSA-N 0 0 345.738 3.688 50 5 EHBARN O=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007843957 1123853938 /nfs/dbraw/zinc/85/39/38/1123853938.db2.gz ARDSIRSOELMVJL-UHFFFAOYSA-N 0 0 340.807 3.717 50 5 EHBARN CCCCC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000585138818 1137022801 /nfs/dbraw/zinc/02/28/01/1137022801.db2.gz RSKRAXJXSLUCPU-UHFFFAOYSA-N 0 0 346.387 3.572 50 5 EHBARN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl ZINC000004689101 210248175 /nfs/dbraw/zinc/24/81/75/210248175.db2.gz TWTXGQHCNXRBTJ-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN Cc1ncc(/C=C\C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000098009981 219067900 /nfs/dbraw/zinc/06/79/00/219067900.db2.gz WHOITSGOSMYVEE-TVRMLOFPSA-N 0 0 331.397 3.593 50 5 EHBARN O=C(Nc1ccccc1)c1cccnc1Nc1ccc([N+](=O)[O-])cc1 ZINC000004622230 210234168 /nfs/dbraw/zinc/23/41/68/210234168.db2.gz GESBVFDAAMPSLK-UHFFFAOYSA-N 0 0 334.335 3.986 50 5 EHBARN CCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000003898516 210088225 /nfs/dbraw/zinc/08/82/25/210088225.db2.gz UARJWHWUHWWMGH-IZZDOVSWSA-N 0 0 342.351 3.654 50 5 aggregator EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Br)cc1 ZINC000003897275 210087517 /nfs/dbraw/zinc/08/75/17/210087517.db2.gz IELNTQLTPWREKZ-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN CC(=O)c1c(C)[nH]c(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C ZINC000003338469 210012467 /nfs/dbraw/zinc/01/24/67/210012467.db2.gz JFZLGJKRDQHKIC-UHFFFAOYSA-N 0 0 326.308 3.720 50 5 EHBARN CCC(CC)c1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000002734975 209899049 /nfs/dbraw/zinc/89/90/49/209899049.db2.gz ZFDPDTYYTXVAAV-UHFFFAOYSA-N 0 0 334.401 3.911 50 5 EHBARN O=c1oc2ccccc2c(SCCNc2ccccc2)c1[N+](=O)[O-] ZINC000001860512 209800509 /nfs/dbraw/zinc/80/05/09/209800509.db2.gz SVFWJAZZINRFCY-UHFFFAOYSA-N 0 0 342.376 3.905 50 5 EHBARN COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000103336 209421669 /nfs/dbraw/zinc/42/16/69/209421669.db2.gz STCRMCUUEGOUJV-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN CCn1nc(C)cc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000075142272 216580197 /nfs/dbraw/zinc/58/01/97/216580197.db2.gz MEEOPFPTUYKBGC-UHFFFAOYSA-N 0 0 342.399 3.709 50 5 EHBARN CC(C)(C)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)no1 ZINC000075127069 216568109 /nfs/dbraw/zinc/56/81/09/216568109.db2.gz VLJLPRGTBSIXMD-UHFFFAOYSA-N 0 0 335.385 3.611 50 5 EHBARN Cc1nn(CCOc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000022435047 212296687 /nfs/dbraw/zinc/29/66/87/212296687.db2.gz SJRPEZUATTUKPU-UHFFFAOYSA-N 0 0 330.171 3.794 50 5 EHBARN COc1cc(CNc2ccc([N+](=O)[O-])cc2C)cc(OC)c1OC ZINC000078517761 217066713 /nfs/dbraw/zinc/06/67/13/217066713.db2.gz QUPXMWGCTUGNFT-UHFFFAOYSA-N 0 0 332.356 3.541 50 5 EHBARN C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000079024374 217176838 /nfs/dbraw/zinc/17/68/38/217176838.db2.gz MTXKPFVYSPQHHB-JTQLQIEISA-N 0 0 341.205 3.620 50 5 EHBARN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 ZINC000012782563 211454877 /nfs/dbraw/zinc/45/48/77/211454877.db2.gz FZBBNMMTTBXVFP-SFHVURJKSA-N 0 0 340.379 3.793 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])NCC1(c2ccccc2)CCCC1 ZINC000012101290 211291965 /nfs/dbraw/zinc/29/19/65/211291965.db2.gz RCDKRNCCDHOBOM-UHFFFAOYSA-N 0 0 338.407 3.766 50 5 EHBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000010923079 211196660 /nfs/dbraw/zinc/19/66/60/211196660.db2.gz SNYJUKXDSBUBSS-DUXPYHPUSA-N 0 0 348.811 3.908 50 5 EHBARN O=C(Nc1ccc(C2CC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009584621 211105482 /nfs/dbraw/zinc/10/54/82/211105482.db2.gz SYWLZEWJGWBTTC-UHFFFAOYSA-N 0 0 327.296 3.633 50 5 EHBARN COc1ccc(C)cc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000009497493 211092144 /nfs/dbraw/zinc/09/21/44/211092144.db2.gz SOIWZFFPHJMJKZ-UHFFFAOYSA-N 0 0 332.381 3.886 50 5 EHBARN CCc1ccccc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000009115904 211043569 /nfs/dbraw/zinc/04/35/69/211043569.db2.gz ZDDYTTQOQXWSLP-UHFFFAOYSA-N 0 0 336.351 3.595 50 5 EHBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3)n2)cc1 ZINC000009009392 211029777 /nfs/dbraw/zinc/02/97/77/211029777.db2.gz LRMKVQGTGHOUGH-UHFFFAOYSA-N 0 0 336.355 3.763 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc2ccccn21 ZINC000007982249 210873823 /nfs/dbraw/zinc/87/38/23/210873823.db2.gz KWYZASSKJPACHI-UHFFFAOYSA-N 0 0 340.286 3.808 50 5 EHBARN Cc1cc2nc(Oc3ccc(C)nc3[N+](=O)[O-])c3ccccc3n2n1 ZINC000007737808 210840934 /nfs/dbraw/zinc/84/09/34/210840934.db2.gz UQYWFJGGETVZJK-UHFFFAOYSA-N 0 0 335.323 3.595 50 5 EHBARN CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1c(C)noc1C ZINC000097095989 218949933 /nfs/dbraw/zinc/94/99/33/218949933.db2.gz VFVARXPTCKJLLC-ZDUSSCGKSA-N 0 0 332.360 3.781 50 5 EHBARN C[C@H]1CCc2nc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000004999039 210356323 /nfs/dbraw/zinc/35/63/23/210356323.db2.gz VYDDAAAQXWIMED-VIFPVBQESA-N 0 0 348.453 3.985 50 5 EHBARN Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005017663 210364289 /nfs/dbraw/zinc/36/42/89/210364289.db2.gz HYSKIGJNRJKLAB-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005014837 210362655 /nfs/dbraw/zinc/36/26/55/210362655.db2.gz UCIPODCGVZCWDO-UHFFFAOYSA-N 0 0 340.788 3.666 50 5 EHBARN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000004993605 210352793 /nfs/dbraw/zinc/35/27/93/210352793.db2.gz IEIYJVRJFZDLRT-UHFFFAOYSA-N 0 0 340.788 3.666 50 5 EHBARN CCN(CC)c1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000004977985 210347081 /nfs/dbraw/zinc/34/70/81/210347081.db2.gz NMVHIDYYMMXELZ-UHFFFAOYSA-N 0 0 343.383 3.702 50 5 EHBARN CC(C)c1onc(C(=O)Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000004937497 210329374 /nfs/dbraw/zinc/32/93/74/210329374.db2.gz HLVVZHGMOCFBCE-UHFFFAOYSA-N 0 0 327.699 3.751 50 5 EHBARN COc1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000004842105 210296343 /nfs/dbraw/zinc/29/63/43/210296343.db2.gz UGVMIISALNNSCH-UHFFFAOYSA-N 0 0 342.380 3.550 50 5 EHBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F ZINC000004842582 210296074 /nfs/dbraw/zinc/29/60/74/210296074.db2.gz MXYOXVNNYHYAGX-UHFFFAOYSA-N 0 0 344.371 3.822 50 5 EHBARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000004836805 210293704 /nfs/dbraw/zinc/29/37/04/210293704.db2.gz QVGWZXSFRCXVIR-QPEQYQDCSA-N 0 0 346.701 3.732 50 5 EHBARN O=c1oc2ccc(Cl)cc2cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004831773 210290120 /nfs/dbraw/zinc/29/01/20/210290120.db2.gz WOOPUEOBCWUCKF-UHFFFAOYSA-N 0 0 346.682 3.930 50 5 EHBARN CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004799904 210280453 /nfs/dbraw/zinc/28/04/53/210280453.db2.gz LFXFYBLMCNWZQQ-UHFFFAOYSA-N 0 0 328.328 3.506 50 5 EHBARN Cc1ccc(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)o1 ZINC000180297839 257953482 /nfs/dbraw/zinc/95/34/82/257953482.db2.gz BNIKWEFXKIDZIB-UHFFFAOYSA-N 0 0 343.364 3.896 50 5 EHBARN O=[N+]([O-])c1ccccc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000055544056 132196207 /nfs/dbraw/zinc/19/62/07/132196207.db2.gz FJQTUYNXSGGQIO-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000003279837 135659756 /nfs/dbraw/zinc/65/97/56/135659756.db2.gz NZGQYQBYAHCZKU-UHFFFAOYSA-N 0 0 339.395 3.766 50 5 EHBARN O=C(OCCOc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000003119821 564155203 /nfs/dbraw/zinc/15/52/03/564155203.db2.gz CMULFJLXRBXBGK-UHFFFAOYSA-N 0 0 346.122 3.730 50 5 EHBARN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000071882910 563377316 /nfs/dbraw/zinc/37/73/16/563377316.db2.gz OLDNZWPSZMJTGN-NSHDSACASA-N 0 0 347.440 3.769 50 5 EHBARN COC(=O)Cn1c2ccc(F)cc2c2nc3cc(C)c(C)cc3nc21 ZINC000013682906 563710432 /nfs/dbraw/zinc/71/04/32/563710432.db2.gz NZVVTUKAKOLXHK-UHFFFAOYSA-N 0 0 337.354 3.667 50 5 EHBARN Cc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000032777258 563728755 /nfs/dbraw/zinc/72/87/55/563728755.db2.gz MJASZNOZIKJOLQ-UHFFFAOYSA-N 0 0 343.364 3.775 50 5 EHBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NC1CCCCCC1 ZINC000032777289 563728809 /nfs/dbraw/zinc/72/88/09/563728809.db2.gz FPZLIRIIQCAVHZ-UHFFFAOYSA-N 0 0 349.412 3.667 50 5 EHBARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000032837441 563759763 /nfs/dbraw/zinc/75/97/63/563759763.db2.gz SFMKUKAMQPUELA-ABAIWWIYSA-N 0 0 329.356 3.975 50 5 EHBARN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)C1CC1 ZINC000032891673 563782400 /nfs/dbraw/zinc/78/24/00/563782400.db2.gz VLHMWEKVBDIOTI-LJQANCHMSA-N 0 0 339.395 3.664 50 5 EHBARN O=c1c([N+](=O)[O-])cccn1Cc1nc2ccccc2c2ccccc21 ZINC000058341935 563943011 /nfs/dbraw/zinc/94/30/11/563943011.db2.gz BJLHPNPGAPSKPQ-UHFFFAOYSA-N 0 0 331.331 3.506 50 5 EHBARN Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000000038499 563967481 /nfs/dbraw/zinc/96/74/81/563967481.db2.gz GWWHSLCVPYBDPI-UHFFFAOYSA-N 0 0 336.141 3.885 50 5 in-vivo EHBARN CC(C)C(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000097165852 563968544 /nfs/dbraw/zinc/96/85/44/563968544.db2.gz OIQZFUCNKUVRHR-SFHVURJKSA-N 0 0 337.379 3.929 50 5 EHBARN Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000000086568 563974639 /nfs/dbraw/zinc/97/46/39/563974639.db2.gz JBDAJJTWCNIRQT-UHFFFAOYSA-N 0 0 343.364 3.841 50 5 aggregator EHBARN CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000300717 563990777 /nfs/dbraw/zinc/99/07/77/563990777.db2.gz ULBRAZCKMZFVEN-GFCCVEGCSA-N 0 0 334.397 3.909 50 5 EHBARN CC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)c1ccccc1 ZINC000000316887 563990928 /nfs/dbraw/zinc/99/09/28/563990928.db2.gz KXZAIXLVUSMLJB-INIZCTEOSA-N 0 0 327.336 3.722 50 5 EHBARN CCc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000000317489 563990932 /nfs/dbraw/zinc/99/09/32/563990932.db2.gz DFAYFDVUJGPWIC-UHFFFAOYSA-N 0 0 338.319 3.516 50 5 EHBARN Cc1cc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000000315027 563990957 /nfs/dbraw/zinc/99/09/57/563990957.db2.gz PYOYYRDIIFPCHM-UHFFFAOYSA-N 0 0 328.368 3.846 50 5 EHBARN O=C1OC(c2ccc(F)cc2)=N/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000000340217 563991372 /nfs/dbraw/zinc/99/13/72/563991372.db2.gz YIFYJVAUOFALJO-PVZSTHCMSA-N 0 0 338.294 3.635 50 5 EHBARN Cc1ccc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000000370211 563991811 /nfs/dbraw/zinc/99/18/11/563991811.db2.gz CALDICSGOQMPJS-UHFFFAOYSA-N 0 0 327.365 3.694 50 5 EHBARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2[N+](=O)[O-])cc1F ZINC000000423804 563998365 /nfs/dbraw/zinc/99/83/65/563998365.db2.gz PVGVIADQTACDJU-MRXNPFEDSA-N 0 0 332.356 3.821 50 5 EHBARN CCOC(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000000425014 563998498 /nfs/dbraw/zinc/99/84/98/563998498.db2.gz VXTZJSLJRURZHJ-UHFFFAOYSA-N 0 0 337.404 3.691 50 5 EHBARN Cc1cccc(C)c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000456044 563999690 /nfs/dbraw/zinc/99/96/90/563999690.db2.gz GSLPFSAVPNMLDL-UHFFFAOYSA-N 0 0 343.408 3.647 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000000455313 563999813 /nfs/dbraw/zinc/99/98/13/563999813.db2.gz VKPMPHROBQVESI-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000000458899 563999824 /nfs/dbraw/zinc/99/98/24/563999824.db2.gz OYFXQDCPVGZGAK-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN Cc1cccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1C ZINC000000461128 564000837 /nfs/dbraw/zinc/00/08/37/564000837.db2.gz MMCALRUZIBDFEF-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN COc1cccc(OC)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005527495 564005004 /nfs/dbraw/zinc/00/50/04/564005004.db2.gz CBECTNZQLRSXCC-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccccc1 ZINC000000470325 564006191 /nfs/dbraw/zinc/00/61/91/564006191.db2.gz QKPWWQJDQMZWIW-NSHDSACASA-N 0 0 332.381 3.723 50 5 EHBARN CC(C)(C)c1cccc(OCC(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000005632612 564006772 /nfs/dbraw/zinc/00/67/72/564006772.db2.gz NORGEYHRPPRWSO-UHFFFAOYSA-N 0 0 329.352 3.877 50 5 EHBARN CC(C)Cn1c2ncn(CC(C)C)c(=O)c2c2nc3ccccc3nc21 ZINC000000520938 564020968 /nfs/dbraw/zinc/02/09/68/564020968.db2.gz KWLSGHXMZUCRBB-UHFFFAOYSA-N 0 0 349.438 3.606 50 5 EHBARN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H](c1ccccc1)C(F)(F)F ZINC000103050869 564021238 /nfs/dbraw/zinc/02/12/38/564021238.db2.gz GIPGRXUQNHCGCO-LBPRGKRZSA-N 0 0 328.246 3.563 50 5 EHBARN CCOc1cccc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000000567912 564023208 /nfs/dbraw/zinc/02/32/08/564023208.db2.gz KPLJFBZASMTCGF-UHFFFAOYSA-N 0 0 343.364 3.856 50 5 EHBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)C3CCCCC3)nc21 ZINC000000567837 564023218 /nfs/dbraw/zinc/02/32/18/564023218.db2.gz IHIYAUDJHUMARG-UHFFFAOYSA-N 0 0 335.385 3.732 50 5 EHBARN O=[N+]([O-])c1cccc(-c2noc(CNc3cccc(Cl)c3)n2)c1 ZINC000047318028 564026119 /nfs/dbraw/zinc/02/61/19/564026119.db2.gz RMTYDVHPMAYQJF-UHFFFAOYSA-N 0 0 330.731 3.910 50 5 EHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2cnco2)c1 ZINC000048205376 564030056 /nfs/dbraw/zinc/03/00/56/564030056.db2.gz JAEDHFMVKFXRAL-FPLPWBNLSA-N 0 0 335.319 3.902 50 5 EHBARN Cc1ccc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000048353630 564031385 /nfs/dbraw/zinc/03/13/85/564031385.db2.gz QVKVVJDDOUCXIL-BBRMVZONSA-N 0 0 335.404 3.620 50 5 EHBARN Cc1c(C(=O)NCc2coc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000024843362 564034063 /nfs/dbraw/zinc/03/40/63/564034063.db2.gz NTOMZJWHOSCROK-UHFFFAOYSA-N 0 0 343.364 3.550 50 5 EHBARN Cc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000005938128 564057173 /nfs/dbraw/zinc/05/71/73/564057173.db2.gz SSZXQQAZXFWARC-LLVKDONJSA-N 0 0 333.775 3.996 50 5 EHBARN Cc1cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)on1 ZINC000063449510 564057495 /nfs/dbraw/zinc/05/74/95/564057495.db2.gz LGXZWTZBCSLSKL-UHFFFAOYSA-N 0 0 335.747 3.601 50 5 EHBARN Cc1c(C(=O)NCCCn2ccc3ccccc32)cccc1[N+](=O)[O-] ZINC000012562829 564059625 /nfs/dbraw/zinc/05/96/25/564059625.db2.gz AGBNKYBIZXIIRW-UHFFFAOYSA-N 0 0 337.379 3.678 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1Cl ZINC000015271349 564060176 /nfs/dbraw/zinc/06/01/76/564060176.db2.gz QJBWEGDFAINZMO-RMKNXTFCSA-N 0 0 332.743 3.909 50 5 EHBARN Cc1cc(C)c(=O)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000001309479 564063115 /nfs/dbraw/zinc/06/31/15/564063115.db2.gz SLDXYJPWNJXBRN-UHFFFAOYSA-N 0 0 330.296 3.581 50 5 EHBARN O=c1oc2ccccc2c(NCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000004183755 564065153 /nfs/dbraw/zinc/06/51/53/564065153.db2.gz ZRTMTMAIUJSKAV-UHFFFAOYSA-N 0 0 330.727 3.967 50 5 EHBARN Cc1cc(C(=O)NCc2ccc(-n3cccc3)cc2)ccc1[N+](=O)[O-] ZINC000001426623 564066745 /nfs/dbraw/zinc/06/67/45/564066745.db2.gz CBLBNHPNLGPUKO-UHFFFAOYSA-N 0 0 335.363 3.624 50 5 EHBARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000085412293 564072854 /nfs/dbraw/zinc/07/28/54/564072854.db2.gz YDHNBKFUTFXWLQ-ZDUSSCGKSA-N 0 0 332.385 3.552 50 5 EHBARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000012893677 564077589 /nfs/dbraw/zinc/07/75/89/564077589.db2.gz VKFIITDESTUOBL-UHFFFAOYSA-N 0 0 338.363 3.685 50 5 EHBARN Cc1c(NC(=O)N[C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000075145549 564080707 /nfs/dbraw/zinc/08/07/07/564080707.db2.gz PTNBGDZXHNPFMD-INIZCTEOSA-N 0 0 343.383 3.539 50 5 EHBARN Cc1cc(C(=O)OCc2cn3cc(Cl)ccc3n2)ccc1[N+](=O)[O-] ZINC000006292331 564083646 /nfs/dbraw/zinc/08/36/46/564083646.db2.gz VNEUWFLYLOUBFG-UHFFFAOYSA-N 0 0 345.742 3.561 50 5 EHBARN COc1ccccc1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000001926363 564090215 /nfs/dbraw/zinc/09/02/15/564090215.db2.gz CXFJUEPBODHVPK-UHFFFAOYSA-N 0 0 348.314 3.557 50 5 EHBARN O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006590257 564092390 /nfs/dbraw/zinc/09/23/90/564092390.db2.gz BRFYVJRZFNSHBE-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN Cc1cc(F)cc(C(=O)Nc2cc(CC(C)(C)C)nn2C)c1[N+](=O)[O-] ZINC000089587358 564092985 /nfs/dbraw/zinc/09/29/85/564092985.db2.gz PKCVNIBUBSGLKU-UHFFFAOYSA-N 0 0 348.378 3.617 50 5 EHBARN Cc1nn(C(C)C)c(C)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000065000900 564099347 /nfs/dbraw/zinc/09/93/47/564099347.db2.gz MMAKOUAZYGBBGZ-CMDGGOBGSA-N 0 0 328.372 3.641 50 5 EHBARN Cc1ccc(O[C@@H](C)C(=O)NCCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000007463397 564108711 /nfs/dbraw/zinc/10/87/11/564108711.db2.gz FUGLLDMPKGIQOE-AWEZNQCLSA-N 0 0 332.400 3.677 50 5 EHBARN O=[N+]([O-])c1cccc(F)c1CN(C[C@@H]1CCOC1)c1ccccc1 ZINC000170621227 564110177 /nfs/dbraw/zinc/11/01/77/564110177.db2.gz COQYMMSEGHNPAB-AWEZNQCLSA-N 0 0 330.359 3.777 50 5 EHBARN CC(C)N=c1ccccn1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000252474861 564118974 /nfs/dbraw/zinc/11/89/74/564118974.db2.gz NPEYCASCWZSLPJ-OZIMOLPGSA-N 0 0 345.786 3.712 50 5 EHBARN Cc1cc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000193602040 564120029 /nfs/dbraw/zinc/12/00/29/564120029.db2.gz UTVTZPGEMBNSMY-SNVBAGLBSA-N 0 0 331.294 3.709 50 5 EHBARN O=C(Nc1ccc(Oc2ncc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000153595555 564120833 /nfs/dbraw/zinc/12/08/33/564120833.db2.gz ARZFKSAODBEVTL-UHFFFAOYSA-N 0 0 333.731 3.784 50 5 EHBARN CSc1ccc(C(=O)N(C)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000013137715 564136066 /nfs/dbraw/zinc/13/60/66/564136066.db2.gz IPFRQCYUXDARBR-UHFFFAOYSA-N 0 0 330.409 3.897 50 5 EHBARN COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000095470997 564141261 /nfs/dbraw/zinc/14/12/61/564141261.db2.gz ZGBFXOCRQOTQKU-JTQLQIEISA-N 0 0 334.759 3.999 50 5 EHBARN O=C(Nc1cccc2oc(C(F)(F)F)nc21)c1ccc([N+](=O)[O-])o1 ZINC000095980682 564143713 /nfs/dbraw/zinc/14/37/13/564143713.db2.gz XRBVBVQYQYMGJP-UHFFFAOYSA-N 0 0 341.201 3.600 50 5 EHBARN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1cccc2[nH]ccc21 ZINC000096118782 564145495 /nfs/dbraw/zinc/14/54/95/564145495.db2.gz FUFIYZJTETWEOZ-UHFFFAOYSA-N 0 0 334.335 3.670 50 5 EHBARN O=[N+]([O-])c1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 ZINC000002859141 564152858 /nfs/dbraw/zinc/15/28/58/564152858.db2.gz LYOYGTDQLISWPR-MRXNPFEDSA-N 0 0 327.409 3.959 50 5 EHBARN C[C@H](Nc1c([N+](=O)[O-])ncn1C)C(c1ccccc1)c1ccccc1 ZINC000029588730 564153716 /nfs/dbraw/zinc/15/37/16/564153716.db2.gz SEXCMRMHYCUPED-AWEZNQCLSA-N 0 0 336.395 3.961 50 5 EHBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)C1CC1 ZINC000058150512 564157787 /nfs/dbraw/zinc/15/77/87/564157787.db2.gz DZQQHCBIKCGTSJ-UHFFFAOYSA-N 0 0 339.395 3.506 50 5 EHBARN C[C@H](NC(=O)CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000031484226 564159439 /nfs/dbraw/zinc/15/94/39/564159439.db2.gz VSGRGUOWVSQSHW-LBPRGKRZSA-N 0 0 348.786 3.895 50 5 EHBARN Cc1csc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000031843199 564160019 /nfs/dbraw/zinc/16/00/19/564160019.db2.gz HTPSPPPIGBHZQU-UHFFFAOYSA-N 0 0 334.382 3.702 50 5 EHBARN Cc1nn(Cc2coc(-c3ccc(Cl)cc3)n2)c(C)c1[N+](=O)[O-] ZINC000032384140 564161315 /nfs/dbraw/zinc/16/13/15/564161315.db2.gz POGUEOJPDLASBV-UHFFFAOYSA-N 0 0 332.747 3.765 50 5 EHBARN C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000008149577 564163216 /nfs/dbraw/zinc/16/32/16/564163216.db2.gz YSWCIYYMECZZEA-NZWMYCLXSA-N 0 0 343.427 3.711 50 5 EHBARN O=c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c2scc(-c3ccco3)c21 ZINC000066606526 564163578 /nfs/dbraw/zinc/16/35/78/564163578.db2.gz UPYIFDKEDYCKMS-UHFFFAOYSA-N 0 0 339.332 3.820 50 5 EHBARN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccoc1C1CC1 ZINC000585128834 1137018572 /nfs/dbraw/zinc/01/85/72/1137018572.db2.gz OMAJGUDXSJORKS-UHFFFAOYSA-N 0 0 338.722 3.788 50 5 EHBARN CCOC(=O)CCCCCCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000002580514 1137878006 /nfs/dbraw/zinc/87/80/06/1137878006.db2.gz BCSCADSMAWKMOX-UHFFFAOYSA-N 0 0 337.372 3.690 50 5 EHBARN CCN(CC)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052929015 214154356 /nfs/dbraw/zinc/15/43/56/214154356.db2.gz YVHGOEFAOIMWEB-CYBMUJFWSA-N 0 0 342.399 3.645 50 5 EHBARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000053642241 214191203 /nfs/dbraw/zinc/19/12/03/214191203.db2.gz UMPYQWKTARMADZ-SWLSCSKDSA-N 0 0 328.368 3.512 50 5 EHBARN Cc1cccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000004699647 210251277 /nfs/dbraw/zinc/25/12/77/210251277.db2.gz YXPPSMRIGOZRIQ-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1C1CCCCC1 ZINC000055599630 214332671 /nfs/dbraw/zinc/33/26/71/214332671.db2.gz GTOGOXMLOQCFGQ-MRXNPFEDSA-N 0 0 347.371 3.688 50 5 EHBARN CCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCc2ccccc2C1 ZINC000056351406 214371890 /nfs/dbraw/zinc/37/18/90/214371890.db2.gz ZWXUOJBZKUEDHH-OAHLLOKOSA-N 0 0 328.368 3.598 50 5 EHBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004628410 210235238 /nfs/dbraw/zinc/23/52/38/210235238.db2.gz HIFFAEYPVZJEFV-UHFFFAOYSA-N 0 0 334.803 3.947 50 5 EHBARN O=c1oc2ccccc2c(N2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000004565437 210221737 /nfs/dbraw/zinc/22/17/37/210221737.db2.gz CLODJGJLKYWWIT-AWEZNQCLSA-N 0 0 336.347 3.695 50 5 EHBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(O)c12 ZINC000100480826 219100250 /nfs/dbraw/zinc/10/02/50/219100250.db2.gz XSURCMBFTQESTA-UHFFFAOYSA-N 0 0 329.311 3.647 50 5 EHBARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000004275894 210158200 /nfs/dbraw/zinc/15/82/00/210158200.db2.gz SEOXPMJXRLJJTE-UHFFFAOYSA-N 0 0 344.714 3.551 50 5 EHBARN CCCCCC[C@@H]1C[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004110474 210122603 /nfs/dbraw/zinc/12/26/03/210122603.db2.gz DHFWVGQJAFQZFG-CZUORRHYSA-N 0 0 348.399 3.826 50 5 EHBARN CN(Cc1noc(C(C)(C)C)n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000045810749 213757972 /nfs/dbraw/zinc/75/79/72/213757972.db2.gz KOKGRAKMUZUNKS-UHFFFAOYSA-N 0 0 338.795 3.561 50 5 EHBARN CCCCC[C@](O)(C[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C ZINC000003011986 209954348 /nfs/dbraw/zinc/95/43/48/209954348.db2.gz MRTFCCABPVSYJF-CYBMUJFWSA-N 0 0 325.342 3.575 50 5 EHBARN Cc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] ZINC000002933292 209943005 /nfs/dbraw/zinc/94/30/05/209943005.db2.gz QDIAFQVBZKCCIQ-UHFFFAOYSA-N 0 0 326.268 3.528 50 5 EHBARN CC(C)[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000036394925 213096860 /nfs/dbraw/zinc/09/68/60/213096860.db2.gz YYZHFQLIAACNKG-CQSZACIVSA-N 0 0 344.396 3.660 50 5 EHBARN Cc1[nH]nc(C(=O)Nc2cccc(OC3CCCC3)c2C)c1[N+](=O)[O-] ZINC000071847630 215878657 /nfs/dbraw/zinc/87/86/57/215878657.db2.gz XRYGERYKPWOLHW-UHFFFAOYSA-N 0 0 344.371 3.508 50 5 EHBARN CCOC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000071853656 215882532 /nfs/dbraw/zinc/88/25/32/215882532.db2.gz ZFWXUNKZUFYYQE-UHFFFAOYSA-N 0 0 343.339 3.724 50 5 EHBARN COC(=O)c1ccc(-c2nc3cc([N+](=O)[O-])cc(Cl)c3o2)cc1 ZINC000000236191 209497539 /nfs/dbraw/zinc/49/75/39/209497539.db2.gz FUMMYJNITDWRQO-UHFFFAOYSA-N 0 0 332.699 3.843 50 5 EHBARN O=[N+]([O-])c1cccc(-c2ccc(-c3nnc(-c4cccnc4)o3)o2)c1 ZINC000020733462 212167081 /nfs/dbraw/zinc/16/70/81/212167081.db2.gz JDAXKHYFFUQDSR-UHFFFAOYSA-N 0 0 334.291 3.967 50 5 EHBARN Cc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000011493970 211219559 /nfs/dbraw/zinc/21/95/59/211219559.db2.gz UDBPIUMCQJRQNG-UHFFFAOYSA-N 0 0 337.335 3.650 50 5 EHBARN CCc1cc2c(C)cc(=O)oc2cc1Oc1ncccc1[N+](=O)[O-] ZINC000009492739 211091931 /nfs/dbraw/zinc/09/19/31/211091931.db2.gz ZKDSADUEFBZMSM-UHFFFAOYSA-N 0 0 326.308 3.759 50 5 EHBARN COc1ccc(CNc2cccc(-c3nccn3C)c2)cc1[N+](=O)[O-] ZINC000095428702 218370789 /nfs/dbraw/zinc/37/07/89/218370789.db2.gz PMYOKSJAWIYKNC-UHFFFAOYSA-N 0 0 338.367 3.616 50 5 EHBARN COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1[N+](=O)[O-] ZINC000008327912 210936892 /nfs/dbraw/zinc/93/68/92/210936892.db2.gz FMLNKFYYDNUIDW-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN Cc1[nH]nc2c1[C@@H](c1ccccc1[N+](=O)[O-])N(c1ccc(C)cc1)C2=O ZINC000005818275 210542565 /nfs/dbraw/zinc/54/25/65/210542565.db2.gz SIIURBLQCIRKAA-GOSISDBHSA-N 0 0 348.362 3.685 50 5 EHBARN Cc1cc(C)c(-c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000005410439 210459236 /nfs/dbraw/zinc/45/92/36/210459236.db2.gz KJXZXJZBNRCQMP-UHFFFAOYSA-N 0 0 349.390 3.792 50 5 EHBARN CC(C)(C)C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005449678 210464954 /nfs/dbraw/zinc/46/49/54/210464954.db2.gz DVEQPRPUUSGEFM-UHFFFAOYSA-N 0 0 331.324 3.627 50 5 EHBARN O=C1O[C@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc21 ZINC000005022548 210365762 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O=C1OC(c2ccc(F)cc2)=N/C1=C\C=C\c1cccc([N+](=O)[O-])c1 ZINC000013785406 211637785 /nfs/dbraw/zinc/63/77/85/211637785.db2.gz DRAAXJFNTYKCDJ-HYLYESJESA-N 0 0 338.294 3.635 50 5 EHBARN COc1cc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000010427121 211171842 /nfs/dbraw/zinc/17/18/42/211171842.db2.gz IMLFTKIUOKRSEO-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN CCSc1ccc(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000010252502 211156953 /nfs/dbraw/zinc/15/69/53/211156953.db2.gz ZRNADPDOBWIUCH-UHFFFAOYSA-N 0 0 346.408 3.897 50 5 EHBARN CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000009252519 211057952 /nfs/dbraw/zinc/05/79/52/211057952.db2.gz YXMAFTKFWGEAPW-UHFFFAOYSA-N 0 0 349.774 3.791 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1ccc(C)o1 ZINC000095397923 218331063 /nfs/dbraw/zinc/33/10/63/218331063.db2.gz ZREDTNHGYVDQSI-CQSZACIVSA-N 0 0 345.355 3.874 50 5 EHBARN C[C@@H](O)C(C)(C)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095447232 218391340 /nfs/dbraw/zinc/39/13/40/218391340.db2.gz 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Cc1cc2nc(N(C)Cc3cccc([N+](=O)[O-])c3)c3ccccc3n2n1 ZINC000048265635 564030385 /nfs/dbraw/zinc/03/03/85/564030385.db2.gz QCFPPFPVXNEYGC-UHFFFAOYSA-N 0 0 347.378 3.736 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)nc1Cl ZINC000000713230 564033859 /nfs/dbraw/zinc/03/38/59/564033859.db2.gz DVZXVJIQVWEVGB-UHFFFAOYSA-N 0 0 330.102 3.688 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000024862427 564034154 /nfs/dbraw/zinc/03/41/54/564034154.db2.gz UURNLMMKPIXEKO-CYBMUJFWSA-N 0 0 338.367 3.838 50 5 EHBARN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000083867958 564064060 /nfs/dbraw/zinc/06/40/60/564064060.db2.gz OMDIVRQDLLWIEE-UHFFFAOYSA-N 0 0 347.321 3.724 50 5 EHBARN Cc1nc(CN(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cs1 ZINC000084147815 564066969 /nfs/dbraw/zinc/06/69/69/564066969.db2.gz DFBBWGIWNIXTDD-UHFFFAOYSA-N 0 0 334.401 3.640 50 5 EHBARN O=C(NCCC1=CCCC1)c1cccc([N+](=O)[O-])c1Br ZINC000184890398 564070252 /nfs/dbraw/zinc/07/02/52/564070252.db2.gz 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CCOC(=O)c1cc2c(nc1C(F)(F)F)oc1ccccc1c2=O ZINC000003133380 563474058 /nfs/dbraw/zinc/47/40/58/563474058.db2.gz QMDPHGXZHJADIA-UHFFFAOYSA-N 0 0 337.253 3.537 50 5 EHBARN COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000004575473 563784750 /nfs/dbraw/zinc/78/47/50/563784750.db2.gz DIVKOVAAIKYBFJ-UHFFFAOYSA-N 0 0 340.379 3.825 50 5 EHBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(C(C)(C)C)[nH]c1=S ZINC000032923174 563824840 /nfs/dbraw/zinc/82/48/40/563824840.db2.gz GBMYZVCSGWDECR-SNVBAGLBSA-N 0 0 347.444 3.555 50 5 EHBARN Cc1c(Br)c([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000017241989 563841334 /nfs/dbraw/zinc/84/13/34/563841334.db2.gz UCCBGFIGCLTXTB-UHFFFAOYSA-N 0 0 330.569 3.564 50 5 EHBARN O=C(NCCCn1ccc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000033040351 563933330 /nfs/dbraw/zinc/93/33/30/563933330.db2.gz FMXQBFWZJXVGPQ-UHFFFAOYSA-N 0 0 338.367 3.761 50 5 EHBARN CCn1nc(C)c(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1C ZINC000096429389 563952437 /nfs/dbraw/zinc/95/24/37/563952437.db2.gz 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CC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000000303538 563990787 /nfs/dbraw/zinc/99/07/87/563990787.db2.gz VCWBJORBASGMJD-UHFFFAOYSA-N 0 0 340.792 3.650 50 5 EHBARN CC(C)(C)N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000000303449 563990791 /nfs/dbraw/zinc/99/07/91/563990791.db2.gz OWCDJFGVFHQAQX-UHFFFAOYSA-N 0 0 340.335 3.782 50 5 EHBARN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccccc2F)CC1 ZINC000004981102 563993603 /nfs/dbraw/zinc/99/36/03/563993603.db2.gz XAHSMVJSIPDKOG-FNORWQNLSA-N 0 0 341.386 3.569 50 5 EHBARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000000444968 563999558 /nfs/dbraw/zinc/99/95/58/563999558.db2.gz ROESUTMAMUTFQY-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN COC(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000000449781 563999595 /nfs/dbraw/zinc/99/95/95/563999595.db2.gz NLTSZDDBSKKVGV-UHFFFAOYSA-N 0 0 342.351 3.757 50 5 EHBARN O=[N+]([O-])c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000029297176 563999675 /nfs/dbraw/zinc/99/96/75/563999675.db2.gz JNYJKRYZOVBVJH-UHFFFAOYSA-N 0 0 331.715 3.877 50 5 EHBARN CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000000456580 563999787 /nfs/dbraw/zinc/99/97/87/563999787.db2.gz ATEIEIQYNKOGJS-UHFFFAOYSA-N 0 0 348.742 3.677 50 5 EHBARN C[C@@H]1CC[C@@H]2CCCC[C@@H]2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005259056 564001568 /nfs/dbraw/zinc/00/15/68/564001568.db2.gz HBLSRPRAUIYMFC-WQGACYEGSA-N 0 0 347.371 3.686 50 5 EHBARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000472089 564006169 /nfs/dbraw/zinc/00/61/69/564006169.db2.gz KDWXXXYNXQPPIR-UHFFFAOYSA-N 0 0 347.758 3.849 50 5 EHBARN CC(C)C(=O)Nc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000000471884 564006194 /nfs/dbraw/zinc/00/61/94/564006194.db2.gz FWVDIAOQAUQKAL-UHFFFAOYSA-N 0 0 342.351 3.546 50 5 EHBARN C[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C1(Br)Br ZINC000000500276 564018963 /nfs/dbraw/zinc/01/89/63/564018963.db2.gz OJUKEDPMMWQXBR-MUWHJKNJSA-N 0 0 334.995 3.814 50 5 EHBARN CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc([N+](=O)[O-])o2)c1C ZINC000024964260 564035794 /nfs/dbraw/zinc/03/57/94/564035794.db2.gz CIIFOQWYZGSMAQ-UHFFFAOYSA-N 0 0 331.324 3.673 50 5 EHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000024537103 564036547 /nfs/dbraw/zinc/03/65/47/564036547.db2.gz XCTVGXVILYAMES-UHFFFAOYSA-N 0 0 333.775 3.562 50 5 EHBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000024980128 564049955 /nfs/dbraw/zinc/04/99/55/564049955.db2.gz RZLAJDKJKOWFHK-UHFFFAOYSA-N 0 0 343.383 3.522 50 5 EHBARN O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 ZINC000000977987 564053762 /nfs/dbraw/zinc/05/37/62/564053762.db2.gz SPTMNTGPAUPILC-GDNBJRDFSA-N 0 0 340.360 3.831 50 5 EHBARN COc1ccc(C(=O)Nc2nc3c(cccc3C)s2)cc1[N+](=O)[O-] ZINC000001049180 564054187 /nfs/dbraw/zinc/05/41/87/564054187.db2.gz AOQQALMGKMYFJN-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC(=O)c1ccccc1 ZINC000001164162 564054568 /nfs/dbraw/zinc/05/45/68/564054568.db2.gz NWLLGWYGRXTHHX-UHFFFAOYSA-N 0 0 336.351 3.650 50 5 EHBARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000015198900 564056065 /nfs/dbraw/zinc/05/60/65/564056065.db2.gz QPGMEGBLTMZELY-CQSZACIVSA-N 0 0 332.356 3.701 50 5 EHBARN NC(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000001178476 564056097 /nfs/dbraw/zinc/05/60/97/564056097.db2.gz JDOMUYVGYVAWRH-UHFFFAOYSA-N 0 0 326.230 3.505 50 5 EHBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12 ZINC000005966389 564057345 /nfs/dbraw/zinc/05/73/45/564057345.db2.gz GDBNCLGYPLLSPC-LLVKDONJSA-N 0 0 338.319 3.504 50 5 EHBARN CCOc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000025879522 564065137 /nfs/dbraw/zinc/06/51/37/564065137.db2.gz LRODMCBXEDIDTK-SFHVURJKSA-N 0 0 340.379 3.875 50 5 EHBARN Cc1nc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C)c2)no1 ZINC000001429816 564066894 /nfs/dbraw/zinc/06/68/94/564066894.db2.gz VMYJFPKCIXJNQN-UHFFFAOYSA-N 0 0 338.323 3.514 50 5 EHBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H](c2ccccc2)C1 ZINC000084525506 564068466 /nfs/dbraw/zinc/06/84/66/564068466.db2.gz OOKRYRBTCSOGRD-KRWDZBQOSA-N 0 0 349.390 3.566 50 5 EHBARN CCN(CCOC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000001753413 564087210 /nfs/dbraw/zinc/08/72/10/564087210.db2.gz ALIYJHVLWUPVLT-UHFFFAOYSA-N 0 0 343.383 3.978 50 5 EHBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H](C)C[C@H](C)C1 ZINC000016475032 564087537 /nfs/dbraw/zinc/08/75/37/564087537.db2.gz JGRWPLHDOMCWBB-TUAOUCFPSA-N 0 0 339.823 3.553 50 5 EHBARN Cc1c(C)n(C[C@@H]2CCCO2)c2nc(C)n3c4ccccc4nc3c12 ZINC000006665119 564095635 /nfs/dbraw/zinc/09/56/35/564095635.db2.gz KHFFKNZNKZZXPG-HNNXBMFYSA-N 0 0 334.423 3.941 50 5 EHBARN CCCCN1C(=O)c2ccccc2[C@H]1Nc1cccc([N+](=O)[O-])c1 ZINC000006709962 564096273 /nfs/dbraw/zinc/09/62/73/564096273.db2.gz XHMNDRFFDHYQCW-KRWDZBQOSA-N 0 0 325.368 3.961 50 5 EHBARN COc1ccccc1C1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC000064915893 564097665 /nfs/dbraw/zinc/09/76/65/564097665.db2.gz NLMBXRUPWJILBR-UHFFFAOYSA-N 0 0 327.384 3.922 50 5 EHBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(C2CC2)cs1 ZINC000065500805 564106586 /nfs/dbraw/zinc/10/65/86/564106586.db2.gz SQPYLQXSAJBUJC-UHFFFAOYSA-N 0 0 342.380 3.522 50 5 EHBARN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000007485884 564108871 /nfs/dbraw/zinc/10/88/71/564108871.db2.gz GOGYNTUMPCWFQC-UHFFFAOYSA-N 0 0 348.380 3.702 50 5 EHBARN Cc1ccc([C@@H](C)Nc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000170592768 564108901 /nfs/dbraw/zinc/10/89/01/564108901.db2.gz DEBXNEBCPVFXPL-ZLOXQWCVSA-N 0 0 332.425 3.955 50 5 EHBARN Cc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)ccc1[N+](=O)[O-] ZINC000007532386 564109855 /nfs/dbraw/zinc/10/98/55/564109855.db2.gz ZYYLSYMJFLBPFI-UHFFFAOYSA-N 0 0 338.319 3.915 50 5 EHBARN CC(C)CN(CC(C)C)C(=O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071793206 564111093 /nfs/dbraw/zinc/11/10/93/564111093.db2.gz BOGIMNGQNYURDP-INIZCTEOSA-N 0 0 349.475 3.728 50 5 EHBARN CC1=C(C)[C@@H](Nc2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)C1=O ZINC000004560996 564111679 /nfs/dbraw/zinc/11/16/79/564111679.db2.gz JOOHWPQDLDHWDY-SFHVURJKSA-N 0 0 337.379 3.712 50 5 EHBARN O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc12 ZINC000017058723 564116262 /nfs/dbraw/zinc/11/62/62/564116262.db2.gz UJZBODXHALYCKB-UHFFFAOYSA-N 0 0 333.303 3.758 50 5 EHBARN O=C(CSc1nccn1C1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000017155351 564116528 /nfs/dbraw/zinc/11/65/28/564116528.db2.gz DTSQQMXGKBAQJN-UHFFFAOYSA-N 0 0 346.412 3.637 50 5 EHBARN CCOc1cc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000007865432 564124303 /nfs/dbraw/zinc/12/43/03/564124303.db2.gz ANTWPNVDEUJHNQ-LBPRGKRZSA-N 0 0 345.351 3.920 50 5 EHBARN Cn1ncc2c1nc1c3ccc(O)cc3oc1c2-c1ccc(O)cc1 ZINC000253412674 564130699 /nfs/dbraw/zinc/13/06/99/564130699.db2.gz RRQXZVPDGBWPEY-UHFFFAOYSA-N 0 0 331.331 3.946 50 5 biogenic EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc2ccccc2oc1=O ZINC000002767910 564152508 /nfs/dbraw/zinc/15/25/08/564152508.db2.gz HEKWFLIZWYOMOY-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN C[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000057561352 564154992 /nfs/dbraw/zinc/15/49/92/564154992.db2.gz FXHCZLAYABAFHA-HNNXBMFYSA-N 0 0 334.419 3.556 50 5 EHBARN Cc1cc(C)n(-c2cc(N3CCc4ccccc4C3)ccc2[N+](=O)[O-])n1 ZINC000004117518 564160625 /nfs/dbraw/zinc/16/06/25/564160625.db2.gz PNNJMGGZMFGNDB-UHFFFAOYSA-N 0 0 348.406 3.960 50 5 in-vitro EHBARN Cc1ccccc1-c1nnc2sc(-c3cccc([N+](=O)[O-])c3)nn21 ZINC000008392745 564165006 /nfs/dbraw/zinc/16/50/06/564165006.db2.gz DBBVSTBALARHEI-UHFFFAOYSA-N 0 0 337.364 3.736 50 5 EHBARN CCN(CC)c1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] ZINC000008586895 564165870 /nfs/dbraw/zinc/16/58/70/564165870.db2.gz DCORZZFWHZJOFM-UHFFFAOYSA-N 0 0 328.328 3.751 50 5 EHBARN CC(C)c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1 ZINC000002241365 568422323 /nfs/dbraw/zinc/42/23/23/568422323.db2.gz ZXIFVINJPHGPCO-UHFFFAOYSA-N 0 0 346.386 3.675 50 5 EHBARN CCc1ccc(NC(=O)/C=C\c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000098005548 1021591741 /nfs/dbraw/zinc/59/17/41/1021591741.db2.gz QSIIZNDBGILSCQ-YWEYNIOJSA-N 0 0 340.335 3.538 50 5 EHBARN CNc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000033601212 1122876214 /nfs/dbraw/zinc/87/62/14/1122876214.db2.gz OHOGORQBNIMKKE-SDQBBNPISA-N 0 0 329.743 3.783 50 5 EHBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004525585 210214235 /nfs/dbraw/zinc/21/42/35/210214235.db2.gz BNKYWKIKHRZMHH-BJOHPYRUSA-N 0 0 343.408 3.635 50 5 EHBARN Cc1ccc(C(=O)NCCCNc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000004313603 210167616 /nfs/dbraw/zinc/16/76/16/210167616.db2.gz URICRGLGHFFYGY-UHFFFAOYSA-N 0 0 347.802 3.789 50 5 EHBARN O=c1c2cccc3c2c(nn1-c1ccc([N+](=O)[O-])cc1)-c1ccccc1-3 ZINC000004152533 210134098 /nfs/dbraw/zinc/13/40/98/210134098.db2.gz VUCFGFLYTUXYNI-UHFFFAOYSA-N 0 0 341.326 3.941 50 5 EHBARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000004138215 210129523 /nfs/dbraw/zinc/12/95/23/210129523.db2.gz BUKIBIBRVIGJAY-UHFFFAOYSA-N 0 0 349.390 3.885 50 5 EHBARN COc1ccc(NC(=O)CSc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000004114060 210123555 /nfs/dbraw/zinc/12/35/55/210123555.db2.gz GPRZCAKENTWQCT-UHFFFAOYSA-N 0 0 332.381 3.643 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCC(=O)c1ccccc1 ZINC000002910413 209941073 /nfs/dbraw/zinc/94/10/73/209941073.db2.gz FGBCWOGLQAJZIS-UHFFFAOYSA-N 0 0 326.352 3.895 50 5 EHBARN O=C(NCCSc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000002721020 209895683 /nfs/dbraw/zinc/89/56/83/209895683.db2.gz PGBNJFUDJWSOKJ-UHFFFAOYSA-N 0 0 341.392 3.598 50 5 EHBARN CCc1cccc(CC)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002156326 209825453 /nfs/dbraw/zinc/82/54/53/209825453.db2.gz KLVKOTOSOWBSMY-UHFFFAOYSA-N 0 0 343.339 3.880 50 5 EHBARN CC1(C)C(=O)O[C@H](c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1=O ZINC000001152600 209713335 /nfs/dbraw/zinc/71/33/35/209713335.db2.gz IFLNELYLLBRQLV-CQSZACIVSA-N 0 0 331.368 3.739 50 5 EHBARN O=[N+]([O-])c1ccc2sc(SCc3cn4cccnc4n3)nc2c1 ZINC000000502173 209637563 /nfs/dbraw/zinc/63/75/63/209637563.db2.gz SKVIYXWBQUAEDX-UHFFFAOYSA-N 0 0 343.393 3.540 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(c1ccccn1)c1ccccn1 ZINC000037868905 213171904 /nfs/dbraw/zinc/17/19/04/213171904.db2.gz QHQOFYOGRKKQLQ-ZHACJKMWSA-N 0 0 346.346 3.763 50 5 EHBARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000461803 209615797 /nfs/dbraw/zinc/61/57/97/209615797.db2.gz OMCDZHSSTPHTSE-UHFFFAOYSA-N 0 0 337.788 3.836 50 5 EHBARN O=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000000454372 209610747 /nfs/dbraw/zinc/61/07/47/209610747.db2.gz MKPUAQLUYGBXTH-UHFFFAOYSA-N 0 0 336.141 3.749 50 5 EHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000000305882 209527355 /nfs/dbraw/zinc/52/73/55/209527355.db2.gz SCFGWOMGTWPYMT-SNVBAGLBSA-N 0 0 349.184 3.848 50 5 EHBARN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000022695326 212317943 /nfs/dbraw/zinc/31/79/43/212317943.db2.gz WQNKIIXONOKNCG-UHFFFAOYSA-N 0 0 341.367 3.832 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])s1)N(CC(F)F)c1ccc(F)cc1 ZINC000193853148 240336310 /nfs/dbraw/zinc/33/63/10/240336310.db2.gz AQVJRYHEJYWJTI-UHFFFAOYSA-N 0 0 330.287 3.707 50 5 EHBARN CCOC(=O)Cn1c2ccccc2c(=O)c2c1cccc2C(F)(F)F ZINC000075567041 216636732 /nfs/dbraw/zinc/63/67/32/216636732.db2.gz OIUARBKRSFWPRN-UHFFFAOYSA-N 0 0 349.308 3.737 50 5 EHBARN CC(C)Nc1ccc(-c2noc(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000020894377 212182723 /nfs/dbraw/zinc/18/27/23/212182723.db2.gz NRIHAOMKFYNBPN-UHFFFAOYSA-N 0 0 325.328 3.527 50 5 EHBARN O=[N+]([O-])c1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)o2)cc1 ZINC000020718555 212163622 /nfs/dbraw/zinc/16/36/22/212163622.db2.gz KNANRLXKCQDENA-UHFFFAOYSA-N 0 0 334.291 3.967 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000013016240 211513543 /nfs/dbraw/zinc/51/35/43/211513543.db2.gz ANDDQEPKETUIKD-UHFFFAOYSA-N 0 0 339.351 3.622 50 5 EHBARN CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000013002521 211507419 /nfs/dbraw/zinc/50/74/19/211507419.db2.gz VZZFZKZPYRMPQO-HNNXBMFYSA-N 0 0 346.408 3.571 50 5 EHBARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000011059538 211202772 /nfs/dbraw/zinc/20/27/72/211202772.db2.gz UOAQXNXWWPWYAU-UHFFFAOYSA-N 0 0 342.380 3.711 50 5 EHBARN Cc1ccc(C(=O)N(C(=O)N2CCCCC2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000010254422 211157596 /nfs/dbraw/zinc/15/75/96/211157596.db2.gz HMHFWXUSPWKHGY-UHFFFAOYSA-N 0 0 347.415 3.750 50 5 EHBARN Cc1nc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000009920581 211133716 /nfs/dbraw/zinc/13/37/16/211133716.db2.gz OJADFLDJHNVPNT-UHFFFAOYSA-N 0 0 348.409 3.626 50 5 EHBARN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1[N+](=O)[O-] ZINC000009647821 211112722 /nfs/dbraw/zinc/11/27/22/211112722.db2.gz KZHOGHNUCWNUAN-UHFFFAOYSA-N 0 0 330.340 3.563 50 5 EHBARN O=[N+]([O-])c1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1 ZINC000009452660 211086210 /nfs/dbraw/zinc/08/62/10/211086210.db2.gz DKYQKIHMOWFFKN-UHFFFAOYSA-N 0 0 340.286 3.923 50 5 EHBARN Nc1nc(Nc2cccc(F)c2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000009245208 211058029 /nfs/dbraw/zinc/05/80/29/211058029.db2.gz TXVMYJNAYHFSNA-UHFFFAOYSA-N 0 0 340.318 3.593 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000009114047 211041460 /nfs/dbraw/zinc/04/14/60/211041460.db2.gz VUJGANZEALKGOY-UHFFFAOYSA-N 0 0 340.257 3.875 50 5 EHBARN CCc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000095410245 218347420 /nfs/dbraw/zinc/34/74/20/218347420.db2.gz VXOGVMLDLOVYHV-CQSZACIVSA-N 0 0 343.387 3.639 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000007065966 210756121 /nfs/dbraw/zinc/75/61/21/210756121.db2.gz LOQNEQKOUVWWKX-CYBMUJFWSA-N 0 0 337.379 3.838 50 5 EHBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl ZINC000005869683 210551170 /nfs/dbraw/zinc/55/11/70/210551170.db2.gz USBJVIJYLNJACW-SECBINFHSA-N 0 0 338.722 3.793 50 5 EHBARN Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000096455226 218839240 /nfs/dbraw/zinc/83/92/40/218839240.db2.gz HZGNXCRTXMRPPP-KGLIPLIRSA-N 0 0 342.399 3.762 50 5 EHBARN CC(=C\c1ccccc1)/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000005287566 210434517 /nfs/dbraw/zinc/43/45/17/210434517.db2.gz SNEXHWSYNRCYIX-YMGXUNRSSA-N 0 0 334.331 3.886 50 5 EHBARN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000004983869 210349244 /nfs/dbraw/zinc/34/92/44/210349244.db2.gz VWYPDUNQFATOMM-UHFFFAOYSA-N 0 0 325.368 3.756 50 5 EHBARN Cc1cc(C(=O)Nc2c3nsnc3ccc2Cl)ccc1[N+](=O)[O-] ZINC000004834947 210292350 /nfs/dbraw/zinc/29/23/50/210292350.db2.gz RNUJOMRWXDLNHB-UHFFFAOYSA-N 0 0 348.771 3.814 50 5 EHBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000004834042 210292424 /nfs/dbraw/zinc/29/24/24/210292424.db2.gz GRSKZAVNNJCZLO-SECBINFHSA-N 0 0 349.730 3.899 50 5 EHBARN CN(C)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000004819281 210286853 /nfs/dbraw/zinc/28/68/53/210286853.db2.gz GDOZUYGEZRHOHQ-UHFFFAOYSA-N 0 0 348.428 3.667 50 5 EHBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(Cl)cc1 ZINC000004793615 210278766 /nfs/dbraw/zinc/27/87/66/210278766.db2.gz DUZQLPOBIFJRHM-ZSOIEALJSA-N 0 0 328.711 3.593 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(OCCn2cnc3cc(C)c(C)cc32)c1 ZINC000004759527 210272614 /nfs/dbraw/zinc/27/26/14/210272614.db2.gz OMHUVNQHNHASFL-UHFFFAOYSA-N 0 0 325.368 3.949 50 5 EHBARN Cc1coc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2C)n1 ZINC000120830456 257974799 /nfs/dbraw/zinc/97/47/99/257974799.db2.gz XAEDLSWHALGDJN-UHFFFAOYSA-N 0 0 327.296 3.712 50 5 EHBARN Cc1c(OCC(=O)OC(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000000083605 563219236 /nfs/dbraw/zinc/21/92/36/563219236.db2.gz NTEKBFZAHKGPNB-UHFFFAOYSA-N 0 0 326.348 3.585 50 5 EHBARN CCN(CC)C(=O)COc1ccc2c3ccccc3c(=O)oc2c1C ZINC000000118416 563233306 /nfs/dbraw/zinc/23/33/06/563233306.db2.gz MSOWKGRJDUBQDJ-UHFFFAOYSA-N 0 0 339.391 3.502 50 5 EHBARN CCOC(=O)[C@H](CC)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000146401 563244511 /nfs/dbraw/zinc/24/45/11/563244511.db2.gz ARIHAESWCCFZGW-INIZCTEOSA-N 0 0 326.348 3.667 50 5 EHBARN O=[N+]([O-])c1c(NCc2ncc(-c3ccccc3)o2)nc2ccccn21 ZINC000032911804 563804367 /nfs/dbraw/zinc/80/43/67/563804367.db2.gz GIFKSPIOYCCOED-UHFFFAOYSA-N 0 0 335.323 3.510 50 5 EHBARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000033087332 563963429 /nfs/dbraw/zinc/96/34/29/563963429.db2.gz AJKSGEGNNVNGLZ-AWEZNQCLSA-N 0 0 330.344 3.569 50 5 EHBARN Cc1cc(C)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)n1 ZINC000097213783 563970549 /nfs/dbraw/zinc/97/05/49/563970549.db2.gz FMTWMDQFKKWNMW-UHFFFAOYSA-N 0 0 340.383 3.742 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000014077190 563983121 /nfs/dbraw/zinc/98/31/21/563983121.db2.gz LFFUBCGIFUNSED-GOSISDBHSA-N 0 0 339.395 3.679 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)/C(Br)=C/c1ccccc1 ZINC000000113656 563986618 /nfs/dbraw/zinc/98/66/18/563986618.db2.gz UMFUKNWHJBXCAU-ZROIWOOFSA-N 0 0 347.168 3.969 50 5 EHBARN Cc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000000125349 563986781 /nfs/dbraw/zinc/98/67/81/563986781.db2.gz HXPDJPMIFPTJCP-UHFFFAOYSA-N 0 0 345.298 3.755 50 5 EHBARN CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1nc(C)cs1 ZINC000158297354 563987519 /nfs/dbraw/zinc/98/75/19/563987519.db2.gz NMKWGVHLQSVWKR-UHFFFAOYSA-N 0 0 325.777 3.680 50 5 EHBARN Cc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)c1 ZINC000000175472 563987622 /nfs/dbraw/zinc/98/76/22/563987622.db2.gz VWIKRRSZNVEHSD-UHFFFAOYSA-N 0 0 332.315 3.857 50 5 EHBARN COc1ccc2sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000000191826 563988162 /nfs/dbraw/zinc/98/81/62/563988162.db2.gz PSMZZVCRVOYWBU-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN CN1c2ccccc2C(=O)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000024098534 563991893 /nfs/dbraw/zinc/99/18/93/563991893.db2.gz ZRPSTFUPOXSXNV-GOSISDBHSA-N 0 0 349.346 3.733 50 5 EHBARN C[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005259063 564001557 /nfs/dbraw/zinc/00/15/57/564001557.db2.gz HBLSRPRAUIYMFC-HSMVNMDESA-N 0 0 347.371 3.686 50 5 EHBARN Cc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000005371990 564003209 /nfs/dbraw/zinc/00/32/09/564003209.db2.gz OQQFYWOFYORNGQ-UHFFFAOYSA-N 0 0 338.323 3.514 50 5 EHBARN O=C(NCCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000474353 564006193 /nfs/dbraw/zinc/00/61/93/564006193.db2.gz WVPGWLQZNPLELB-UHFFFAOYSA-N 0 0 339.178 3.874 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1-n1c(C)nc(=O)c(-c2ccccc2)c1C ZINC000000500848 564018917 /nfs/dbraw/zinc/01/89/17/564018917.db2.gz WZHAXFOAUBOOEH-UHFFFAOYSA-N 0 0 335.363 3.733 50 5 EHBARN C[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C1(Br)Br ZINC000000500278 564018973 /nfs/dbraw/zinc/01/89/73/564018973.db2.gz OJUKEDPMMWQXBR-HZGVNTEJSA-N 0 0 334.995 3.814 50 5 EHBARN CCc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000572089 564023599 /nfs/dbraw/zinc/02/35/99/564023599.db2.gz WKIBFQHDABDCLI-UHFFFAOYSA-N 0 0 347.754 3.850 50 5 EHBARN O=[N+]([O-])c1ccc(CSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000005731718 564024561 /nfs/dbraw/zinc/02/45/61/564024561.db2.gz LBEULDKEQQDTAD-UHFFFAOYSA-N 0 0 337.364 3.707 50 5 EHBARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNc1cccc([N+](=O)[O-])c1 ZINC000005731060 564024617 /nfs/dbraw/zinc/02/46/17/564024617.db2.gz BHYZSDBYJQKWAK-ZROIWOOFSA-N 0 0 343.726 3.505 50 5 EHBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1OC ZINC000047611824 564026557 /nfs/dbraw/zinc/02/65/57/564026557.db2.gz KFOMPIDUCKWHAF-UHFFFAOYSA-N 0 0 329.356 3.657 50 5 EHBARN CCCOc1cccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000047841373 564029754 /nfs/dbraw/zinc/02/97/54/564029754.db2.gz JLARPXFNRQWPSZ-UHFFFAOYSA-N 0 0 329.356 3.705 50 5 EHBARN Cc1ccc(-c2noc([C@@H](C)Oc3cccnc3[N+](=O)[O-])n2)cc1F ZINC000048331496 564031147 /nfs/dbraw/zinc/03/11/47/564031147.db2.gz QHQCWSVBNWMCQK-SNVBAGLBSA-N 0 0 344.302 3.627 50 5 EHBARN O=C(c1ccco1)N1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000025072512 564053170 /nfs/dbraw/zinc/05/31/70/564053170.db2.gz LMDGJYZPQRCJCW-UHFFFAOYSA-N 0 0 349.774 3.558 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(s1)CCCC2 ZINC000001056047 564054236 /nfs/dbraw/zinc/05/42/36/564054236.db2.gz UGELDNPIHFVHHI-UHFFFAOYSA-N 0 0 332.381 3.796 50 5 EHBARN O=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000001189704 564056266 /nfs/dbraw/zinc/05/62/66/564056266.db2.gz NCLHASIABOKGEI-GDNBJRDFSA-N 0 0 340.360 3.831 50 5 EHBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc21 ZINC000005843501 564056597 /nfs/dbraw/zinc/05/65/97/564056597.db2.gz GCEJQUIKNXSOHS-NSHDSACASA-N 0 0 345.786 3.638 50 5 EHBARN Cc1cc2cc(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc2[nH]1 ZINC000031653524 564057901 /nfs/dbraw/zinc/05/79/01/564057901.db2.gz QFXGDQVGMMQQEI-UHFFFAOYSA-N 0 0 345.380 3.532 50 5 EHBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000012542415 564058715 /nfs/dbraw/zinc/05/87/15/564058715.db2.gz FFYSZICXFWOPTJ-UHFFFAOYSA-N 0 0 335.747 3.551 50 5 EHBARN O=[N+]([O-])c1ccc(-c2csc(Cc3cn4ccccc4n3)n2)cc1 ZINC000012579292 564059988 /nfs/dbraw/zinc/05/99/88/564059988.db2.gz UWDWPHQVQPRZJN-UHFFFAOYSA-N 0 0 336.376 3.957 50 5 EHBARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001393178 564064642 /nfs/dbraw/zinc/06/46/42/564064642.db2.gz UNNUSURRSNCNDS-UHFFFAOYSA-N 0 0 325.368 3.837 50 5 EHBARN COc1ccc(C(=O)N2CCCSc3ccccc32)cc1[N+](=O)[O-] ZINC000012778807 564069722 /nfs/dbraw/zinc/06/97/22/564069722.db2.gz XFGAUSZELRYHCA-UHFFFAOYSA-N 0 0 344.392 3.746 50 5 EHBARN C[C@@H](c1ccccc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012856366 564075530 /nfs/dbraw/zinc/07/55/30/564075530.db2.gz TXWYJCWNVAMWJW-ZDUSSCGKSA-N 0 0 328.368 3.654 50 5 EHBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(C)c3)nc21 ZINC000001518261 564075703 /nfs/dbraw/zinc/07/57/03/564075703.db2.gz NPVSQGOGJUIVNH-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN C[C@H](c1ccc(F)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012934701 564079121 /nfs/dbraw/zinc/07/91/21/564079121.db2.gz MVQSKUXAHSRQLH-GFCCVEGCSA-N 0 0 346.358 3.793 50 5 EHBARN O=[N+]([O-])c1ccc(-n2nncc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000012998113 564086104 /nfs/dbraw/zinc/08/61/04/564086104.db2.gz SUBUYWNKPPKFCK-UHFFFAOYSA-N 0 0 334.257 3.861 50 5 EHBARN COc1ccc(OCCOC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001753791 564087217 /nfs/dbraw/zinc/08/72/17/564087217.db2.gz DACNCBNAWCRICX-UHFFFAOYSA-N 0 0 346.339 3.539 50 5 EHBARN O=c1oc2ccc(Cl)cc2n1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000006669822 564095573 /nfs/dbraw/zinc/09/55/73/564095573.db2.gz YEWXPXZWCKWAMI-UHFFFAOYSA-N 0 0 339.134 3.858 50 5 EHBARN Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2o1 ZINC000007036593 564103536 /nfs/dbraw/zinc/10/35/36/564103536.db2.gz OGUIYFBNMIQLGS-UHFFFAOYSA-N 0 0 331.715 3.950 50 5 EHBARN COc1cc2c(cc1OC)CN(c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000007238986 564105994 /nfs/dbraw/zinc/10/59/94/564105994.db2.gz VHCZYBSUTHBEDK-UHFFFAOYSA-N 0 0 348.786 3.828 50 5 EHBARN COc1cccc(OC)c1Sc1ncc(Cl)cc1[N+](=O)[O-] ZINC000170606342 564109569 /nfs/dbraw/zinc/10/95/69/564109569.db2.gz XYVGVOLFTVOBAZ-UHFFFAOYSA-N 0 0 326.761 3.812 50 5 EHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000017068161 564116345 /nfs/dbraw/zinc/11/63/45/564116345.db2.gz AQWSHANISJUOPA-UHFFFAOYSA-N 0 0 331.759 3.838 50 5 EHBARN O=[N+]([O-])c1ccc(CSc2n[nH]c(-c3ccccc3O)n2)cc1F ZINC000194589463 564121671 /nfs/dbraw/zinc/12/16/71/564121671.db2.gz BISJLRONJGUKJZ-UHFFFAOYSA-N 0 0 346.343 3.517 50 5 EHBARN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1ccc(F)c(F)c1F ZINC000096118647 564145479 /nfs/dbraw/zinc/14/54/79/564145479.db2.gz GTXTUBUUKOSCSZ-UHFFFAOYSA-N 0 0 349.268 3.606 50 5 EHBARN Cc1ccc(SCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000002983588 564154026 /nfs/dbraw/zinc/15/40/26/564154026.db2.gz MJJDTCAZPCXEBL-UHFFFAOYSA-N 0 0 330.409 3.734 50 5 EHBARN CC1(C)CN(c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O ZINC000003104968 564155169 /nfs/dbraw/zinc/15/51/69/564155169.db2.gz DRSOJYPLTNPWDX-UHFFFAOYSA-N 0 0 326.352 3.547 50 5 EHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCc1c[nH]c2ccccc12 ZINC000031930005 564160220 /nfs/dbraw/zinc/16/02/20/564160220.db2.gz OZNOPEZKJDYDKL-UHFFFAOYSA-N 0 0 337.379 3.667 50 5 EHBARN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008168307 564163270 /nfs/dbraw/zinc/16/32/70/564163270.db2.gz RTYPAVYDXKMLQD-ZDUSSCGKSA-N 0 0 330.409 3.607 50 5 EHBARN CCNc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1[N+](=O)[O-] ZINC000008747508 564167241 /nfs/dbraw/zinc/16/72/41/564167241.db2.gz KMJXFDGPEWIJLH-UHFFFAOYSA-N 0 0 329.356 3.596 50 5 EHBARN COc1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000033297398 1122583724 /nfs/dbraw/zinc/58/37/24/1122583724.db2.gz YSCAXHFRTPTSCS-YVMONPNESA-N 0 0 332.743 3.909 50 5 EHBARN CC(C)c1nnc(SCCOc2ccccc2[N+](=O)[O-])n1C1CC1 ZINC000053665541 214193086 /nfs/dbraw/zinc/19/30/86/214193086.db2.gz JGVFDLHBHYCCLS-UHFFFAOYSA-N 0 0 348.428 3.816 50 5 EHBARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004706684 210254447 /nfs/dbraw/zinc/25/44/47/210254447.db2.gz LVTNPHPBKZDJCU-UHFFFAOYSA-N 0 0 343.408 3.845 50 5 EHBARN CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004699017 210252255 /nfs/dbraw/zinc/25/22/55/210252255.db2.gz QJCAYRHMWGAJDX-AWEZNQCLSA-N 0 0 346.412 3.511 50 5 EHBARN CN(C)Cc1c(OC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000055027880 214265791 /nfs/dbraw/zinc/26/57/91/214265791.db2.gz XHDSFNHABPBCLB-UHFFFAOYSA-N 0 0 334.759 3.529 50 5 EHBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(F)cc1 ZINC000004590043 210229122 /nfs/dbraw/zinc/22/91/22/210229122.db2.gz LBFBOHBQYOTYFH-XXIJSILDSA-N 0 0 338.294 3.744 50 5 EHBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004525577 210213879 /nfs/dbraw/zinc/21/38/79/210213879.db2.gz UNGFEEYPGAUFRO-VFZGTOFNSA-N 0 0 343.408 3.635 50 5 EHBARN Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=N)NC2=O)o1 ZINC000004524088 210214031 /nfs/dbraw/zinc/21/40/31/210214031.db2.gz VMHDKSJEGBWITL-AUWJEWJLSA-N 0 0 343.364 3.610 50 5 EHBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100802775 219107494 /nfs/dbraw/zinc/10/74/94/219107494.db2.gz HRYZQIBVNGXZOQ-QZTJIDSGSA-N 0 0 348.358 3.717 50 5 EHBARN O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000004117103 210123811 /nfs/dbraw/zinc/12/38/11/210123811.db2.gz DVMBDPMSHUSHMM-UHFFFAOYSA-N 0 0 326.312 3.639 50 5 biogenic EHBARN O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004040787 210105686 /nfs/dbraw/zinc/10/56/86/210105686.db2.gz PDTUKLLUQLQWDM-UHFFFAOYSA-N 0 0 349.184 3.929 50 5 EHBARN Cc1csc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000003414022 210032939 /nfs/dbraw/zinc/03/29/39/210032939.db2.gz UAUXMRSESZCCFO-UHFFFAOYSA-N 0 0 343.817 3.744 50 5 EHBARN O=C(Nc1ccc2c(c1)CCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067022420 215105433 /nfs/dbraw/zinc/10/54/33/215105433.db2.gz MWCYFWMGWKBQHO-UHFFFAOYSA-N 0 0 348.362 3.522 50 5 EHBARN CC(C)Oc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002052777 209814539 /nfs/dbraw/zinc/81/45/39/209814539.db2.gz CCQALPQJTBAZCP-UHFFFAOYSA-N 0 0 345.311 3.543 50 5 EHBARN CCC[C@H](c1ccccn1)N(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000069351705 215386962 /nfs/dbraw/zinc/38/69/62/215386962.db2.gz FDZBIBACWVWOTI-CYBMUJFWSA-N 0 0 333.413 3.973 50 5 EHBARN O=[N+]([O-])c1ccc(NCCNc2ncccc2C(F)(F)F)c(F)c1 ZINC000040153810 213274849 /nfs/dbraw/zinc/27/48/49/213274849.db2.gz GEKNGHOXBMDNJF-UHFFFAOYSA-N 0 0 344.268 3.672 50 5 EHBARN COc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1[N+](=O)[O-] ZINC000040072700 213258361 /nfs/dbraw/zinc/25/83/61/213258361.db2.gz GKWFDCAPTJPNBC-UHFFFAOYSA-N 0 0 325.324 3.645 50 5 EHBARN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)no1 ZINC000001428885 209748010 /nfs/dbraw/zinc/74/80/10/209748010.db2.gz YUQLPDYOHOVHIH-UHFFFAOYSA-N 0 0 338.323 3.514 50 5 EHBARN O=Cc1ccc(OCc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000000615719 209679636 /nfs/dbraw/zinc/67/96/36/209679636.db2.gz AFCAPVJIRBEZJK-UHFFFAOYSA-N 0 0 336.141 3.749 50 5 EHBARN COc1ccc(OC)c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000036753974 213117455 /nfs/dbraw/zinc/11/74/55/213117455.db2.gz ZQZPOVURUCECHP-UHFFFAOYSA-N 0 0 342.395 3.777 50 5 EHBARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000442174 209601275 /nfs/dbraw/zinc/60/12/75/209601275.db2.gz YWWQRODAMHONDT-UHFFFAOYSA-N 0 0 326.230 3.746 50 5 EHBARN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000032970396 212882962 /nfs/dbraw/zinc/88/29/62/212882962.db2.gz CROVFXHGWAOFRB-WBMJQRKESA-N 0 0 328.368 3.512 50 5 EHBARN O=c1/c(=C\c2ccccc2)sc2nc3c(ccc4ccccc34)n12 ZINC000000389421 209566058 /nfs/dbraw/zinc/56/60/58/209566058.db2.gz MUAPTXPJBYQRPI-SFQUDFHCSA-N 0 0 328.396 3.610 50 5 EHBARN Cc1cc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000000373738 209557526 /nfs/dbraw/zinc/55/75/26/209557526.db2.gz FUKITQHYJIPYBY-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000053652 209392099 /nfs/dbraw/zinc/39/20/99/209392099.db2.gz DCBYTFPBLDSSNE-CQSZACIVSA-N 0 0 331.368 3.739 50 5 EHBARN O=C(c1csc([N+](=O)[O-])c1)N(Cc1ccsc1)c1cccnc1 ZINC000193500967 240191982 /nfs/dbraw/zinc/19/19/82/240191982.db2.gz ISSPLGBPOBQEAV-UHFFFAOYSA-N 0 0 345.405 3.960 50 5 EHBARN O=[N+]([O-])c1ccccc1-c1ccc(-c2nnc(-c3ccccn3)o2)o1 ZINC000020744963 212168736 /nfs/dbraw/zinc/16/87/36/212168736.db2.gz QUADUWWTJYGUOG-UHFFFAOYSA-N 0 0 334.291 3.967 50 5 EHBARN CCn1c(S/C=C/c2ccc([N+](=O)[O-])o2)nnc1-c1ccncc1 ZINC000253415829 243934829 /nfs/dbraw/zinc/93/48/29/243934829.db2.gz FDNJKMDAVUSAOR-JXMROGBWSA-N 0 0 343.368 3.624 50 5 EHBARN CCOC(=O)c1cc(/C=C/c2ccccc2[N+](=O)[O-])ncc1CC ZINC000019899159 212081000 /nfs/dbraw/zinc/08/10/00/212081000.db2.gz HJMMSSLRTXXCEU-MDZDMXLPSA-N 0 0 326.352 3.899 50 5 EHBARN Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN1C[C@H](C)O[C@@H](C)C1 ZINC000019791664 212067637 /nfs/dbraw/zinc/06/76/37/212067637.db2.gz GIOVYRFIFRUGOD-KBPBESRZSA-N 0 0 336.435 3.599 50 5 EHBARN O=C(Nc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000014127561 211687964 /nfs/dbraw/zinc/68/79/64/211687964.db2.gz IHXOSNIVJPPQDE-UHFFFAOYSA-N 0 0 346.286 3.850 50 5 EHBARN Cc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1[N+](=O)[O-] ZINC000012590556 211417259 /nfs/dbraw/zinc/41/72/59/211417259.db2.gz TXXMEJXNGSKLAS-UHFFFAOYSA-N 0 0 337.379 3.678 50 5 EHBARN O=[N+]([O-])c1ccc2nc(N[C@@H](CCO)c3cccs3)sc2c1 ZINC000095400238 218334476 /nfs/dbraw/zinc/33/44/76/218334476.db2.gz IISDTLFFLLHRGL-NSHDSACASA-N 0 0 335.410 3.802 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000008493415 210958234 /nfs/dbraw/zinc/95/82/34/210958234.db2.gz XBPGRABGIZEVJC-ZDUSSCGKSA-N 0 0 344.367 3.626 50 5 EHBARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000005172821 210406591 /nfs/dbraw/zinc/40/65/91/210406591.db2.gz HTPSPIUPPLUHFN-ZSOIEALJSA-N 0 0 328.711 3.593 50 5 EHBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)cc1 ZINC000005097957 210389380 /nfs/dbraw/zinc/38/93/80/210389380.db2.gz LJOWGTSEGYHLLX-UHFFFAOYSA-N 0 0 342.403 3.764 50 5 EHBARN O=C(CSc1ccsc1[N+](=O)[O-])NCc1ccc(Cl)cc1 ZINC000005069026 210383982 /nfs/dbraw/zinc/38/39/82/210383982.db2.gz IIBQKRYWCKTAHG-UHFFFAOYSA-N 0 0 342.829 3.718 50 5 EHBARN Cc1nc(NCc2ccccc2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000004854702 210301420 /nfs/dbraw/zinc/30/14/20/210301420.db2.gz HLJTUBLJAPDNIH-UHFFFAOYSA-N 0 0 349.394 3.917 50 5 EHBARN Cc1nc(-c2ccccc2)oc1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000174187943 257954510 /nfs/dbraw/zinc/95/45/10/257954510.db2.gz HTWIHXDSCINBTF-UHFFFAOYSA-N 0 0 349.346 3.761 50 5 EHBARN COc1cc(C(=O)N2CC=C(c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000117722542 257975393 /nfs/dbraw/zinc/97/53/93/257975393.db2.gz NRSZFUKJOURPEW-UHFFFAOYSA-N 0 0 344.392 3.594 50 5 EHBARN Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000000032376 258047302 /nfs/dbraw/zinc/04/73/02/258047302.db2.gz KLOQALMKTPJJIZ-UHFFFAOYSA-N 0 0 338.407 3.998 50 5 EHBARN O=[N+]([O-])c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055542926 132195337 /nfs/dbraw/zinc/19/53/37/132195337.db2.gz IOAJBCSSLRLQDR-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1c(F)cccc1F ZINC000096999166 563966618 /nfs/dbraw/zinc/96/66/18/563966618.db2.gz QAFDRWWYMQUGFL-SSDOTTSWSA-N 0 0 340.257 3.512 50 5 EHBARN CC(C)(C)c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000038541 563967487 /nfs/dbraw/zinc/96/74/87/563967487.db2.gz RCWLRNZBAYAJQH-UHFFFAOYSA-N 0 0 329.352 3.877 50 5 EHBARN COc1cccc2sc(NC(=O)c3cccc(C)c3[N+](=O)[O-])nc21 ZINC000014021090 563982922 /nfs/dbraw/zinc/98/29/22/563982922.db2.gz WJQUEMORZVJQCG-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN O=C(Nc1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000178327 563987570 /nfs/dbraw/zinc/98/75/70/563987570.db2.gz BKUCLEQRHPUAHD-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN O=[N+]([O-])c1ccccc1Oc1c(F)c(F)nc(N2CCCC2)c1F ZINC000000173695 563987596 /nfs/dbraw/zinc/98/75/96/563987596.db2.gz DMYPLWDWGJNFNO-UHFFFAOYSA-N 0 0 339.273 3.800 50 5 EHBARN Cc1c(C(=O)Nc2ccccc2Br)cccc1[N+](=O)[O-] ZINC000000255814 563989531 /nfs/dbraw/zinc/98/95/31/563989531.db2.gz UOQJMGXMZPZNOH-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN O=[N+]([O-])c1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000000296467 563990237 /nfs/dbraw/zinc/99/02/37/563990237.db2.gz MGUKIXAKXGGKRO-UHFFFAOYSA-N 0 0 345.742 3.801 50 5 EHBARN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000000291676 563990271 /nfs/dbraw/zinc/99/02/71/563990271.db2.gz YDKQUQYMLGQQGP-UHFFFAOYSA-N 0 0 340.257 3.875 50 5 EHBARN CC(C)NC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000000425011 563998516 /nfs/dbraw/zinc/99/85/16/563998516.db2.gz YDOBOBACRKBDFN-UHFFFAOYSA-N 0 0 336.420 3.836 50 5 EHBARN CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000444649 563999541 /nfs/dbraw/zinc/99/95/41/563999541.db2.gz LTIOVKFDHZAZHV-UHFFFAOYSA-N 0 0 347.758 3.849 50 5 EHBARN COc1ccc(-c2noc([C@H](C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000471582 564006217 /nfs/dbraw/zinc/00/62/17/564006217.db2.gz HTQBMZWGKPQSHW-LLVKDONJSA-N 0 0 325.324 3.805 50 5 EHBARN O=[N+]([O-])c1ccc2[nH]c(CSc3ncnc4ccccc43)nc2c1 ZINC000005729166 564024217 /nfs/dbraw/zinc/02/42/17/564024217.db2.gz VYPOOMBZQRWMQH-UHFFFAOYSA-N 0 0 337.364 3.707 50 5 EHBARN O=[N+]([O-])c1ccccc1OCCSc1n[nH]c(-c2cccs2)n1 ZINC000048354223 564031359 /nfs/dbraw/zinc/03/13/59/564031359.db2.gz OXZPQHQTEYESJQ-UHFFFAOYSA-N 0 0 348.409 3.613 50 5 EHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000024862429 564034159 /nfs/dbraw/zinc/03/41/59/564034159.db2.gz UURNLMMKPIXEKO-ZDUSSCGKSA-N 0 0 338.367 3.838 50 5 EHBARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000859844 564051012 /nfs/dbraw/zinc/05/10/12/564051012.db2.gz JKBGFWFBKOPMHM-LBPRGKRZSA-N 0 0 332.787 3.999 50 5 EHBARN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000012525169 564058149 /nfs/dbraw/zinc/05/81/49/564058149.db2.gz JDKLFKMMNYSCNN-LBPRGKRZSA-N 0 0 340.358 3.994 50 5 EHBARN COCc1c(Cl)cccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000084131361 564066828 /nfs/dbraw/zinc/06/68/28/564066828.db2.gz YLIFDKUNVQPKSZ-UHFFFAOYSA-N 0 0 334.759 3.955 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1nc(C2CCCC2)no1 ZINC000123021383 564085494 /nfs/dbraw/zinc/08/54/94/564085494.db2.gz XLRVVDUVJTUNPY-UHFFFAOYSA-N 0 0 344.371 3.515 50 5 EHBARN CC[C@@](C)(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000151168760 564087321 /nfs/dbraw/zinc/08/73/21/564087321.db2.gz IAELSCKKIWJCJS-OAHLLOKOSA-N 0 0 337.376 3.554 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1cccc(C)c1 ZINC000001910450 564089751 /nfs/dbraw/zinc/08/97/51/564089751.db2.gz WQTCKFNBZCNMFL-UHFFFAOYSA-N 0 0 344.367 3.710 50 5 EHBARN CCN(CC)c1ccc(C=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000006869626 564100109 /nfs/dbraw/zinc/10/01/09/564100109.db2.gz JXHFOIUILKYEOC-UHFFFAOYSA-N 0 0 328.368 3.833 50 5 EHBARN Cc1sc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000065540198 564107269 /nfs/dbraw/zinc/10/72/69/564107269.db2.gz PXXBOIMFSWRGBD-UHFFFAOYSA-N 0 0 349.387 3.956 50 5 EHBARN Cc1ccc(O[C@H](C)C(=O)NCCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000007463407 564108709 /nfs/dbraw/zinc/10/87/09/564108709.db2.gz FUGLLDMPKGIQOE-CQSZACIVSA-N 0 0 332.400 3.677 50 5 EHBARN Cc1c(CO)cc([N+](=O)[O-])c(NC2CCCCCCC2)c1[N+](=O)[O-] ZINC000170619723 564110152 /nfs/dbraw/zinc/11/01/52/564110152.db2.gz UBZTVFHRSMHNIS-UHFFFAOYSA-N 0 0 337.376 3.829 50 5 EHBARN Cc1nn(C)c(NCc2ccc(-c3ccc(O)cc3)cc2)c1[N+](=O)[O-] ZINC000170627028 564110580 /nfs/dbraw/zinc/11/05/80/564110580.db2.gz SEOYVJNHTCIJFA-UHFFFAOYSA-N 0 0 338.367 3.621 50 5 EHBARN O=c1cc(C(F)(F)F)nc(SCc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000170650904 564120350 /nfs/dbraw/zinc/12/03/50/564120350.db2.gz ZRKHLCDBJHZJBK-UHFFFAOYSA-N 0 0 349.265 3.541 50 5 EHBARN CCOc1ccc(C(=O)N(C)Cc2sccc2C)cc1[N+](=O)[O-] ZINC000007898272 564124765 /nfs/dbraw/zinc/12/47/65/564124765.db2.gz UIFMQZSGKROVKV-UHFFFAOYSA-N 0 0 334.397 3.636 50 5 EHBARN CCOc1ccc(-c2cc(=O)oc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000002273842 564125617 /nfs/dbraw/zinc/12/56/17/564125617.db2.gz NYURSIDRGLLINW-UHFFFAOYSA-N 0 0 338.319 3.676 50 5 EHBARN O=[N+]([O-])c1cc(Br)cc(NCc2nccn2C(F)F)c1 ZINC000253415882 564130736 /nfs/dbraw/zinc/13/07/36/564130736.db2.gz PJBPWCPEYFLCBH-UHFFFAOYSA-N 0 0 347.119 3.561 50 5 EHBARN CCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000002736256 564152319 /nfs/dbraw/zinc/15/23/19/564152319.db2.gz XYPJMWRZBPBSAV-UHFFFAOYSA-N 0 0 342.351 3.722 50 5 EHBARN O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000029672693 564153733 /nfs/dbraw/zinc/15/37/33/564153733.db2.gz BEWFNGBXDKUKDU-UHFFFAOYSA-N 0 0 340.310 3.924 50 5 EHBARN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(Cl)c1 ZINC000057475492 564154433 /nfs/dbraw/zinc/15/44/33/564154433.db2.gz RSQOMOFYMDXLAN-NSHDSACASA-N 0 0 348.786 3.966 50 5 EHBARN CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000003203547 564155900 /nfs/dbraw/zinc/15/59/00/564155900.db2.gz UYXUYCIVTYIWNT-UHFFFAOYSA-N 0 0 343.364 3.856 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](C)c2ccccc2)c1 ZINC000031489686 564159458 /nfs/dbraw/zinc/15/94/58/564159458.db2.gz QZOYZGBLWKIAMN-OAHLLOKOSA-N 0 0 342.395 3.592 50 5 EHBARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000031544029 564159527 /nfs/dbraw/zinc/15/95/27/564159527.db2.gz LGMBJLWYOLJISU-UHFFFAOYSA-N 0 0 336.351 3.650 50 5 EHBARN COc1ccc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000008267587 564163881 /nfs/dbraw/zinc/16/38/81/564163881.db2.gz HAQOZJIMJRVPBT-UHFFFAOYSA-N 0 0 326.308 3.910 50 5 EHBARN O=C(NC1CCCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008429751 564165320 /nfs/dbraw/zinc/16/53/20/564165320.db2.gz SIMJVWMTAWTWKF-UHFFFAOYSA-N 0 0 345.443 3.650 50 5 EHBARN Cc1ccc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000267749078 1121503645 /nfs/dbraw/zinc/50/36/45/1121503645.db2.gz XNAWYVUKWYEYIC-VIFPVBQESA-N 0 0 326.278 3.885 50 5 EHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)OCc1nc2ccccc2s1 ZINC000033472971 1122748910 /nfs/dbraw/zinc/74/89/10/1122748910.db2.gz WCNJHRNCQQSXAL-HJWRWDBZSA-N 0 0 340.360 3.961 50 5 EHBARN CNC(=O)c1ccc(Nc2ccc3nc(C)sc3c2)c([N+](=O)[O-])c1 ZINC000053551696 214187315 /nfs/dbraw/zinc/18/73/15/214187315.db2.gz SHKUTFVJQFIBAW-UHFFFAOYSA-N 0 0 342.380 3.616 50 5 EHBARN O=C(Nc1cc(Cl)ccc1O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004603177 210231125 /nfs/dbraw/zinc/23/11/25/210231125.db2.gz QUJQZMUCVQGCGV-UHFFFAOYSA-N 0 0 327.123 3.860 50 5 EHBARN CC(=C\c1ccccc1)/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000004588550 210227165 /nfs/dbraw/zinc/22/71/65/210227165.db2.gz SNEXHWSYNRCYIX-QKIOLIMFSA-N 0 0 334.331 3.886 50 5 EHBARN N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 ZINC000004524694 210213846 /nfs/dbraw/zinc/21/38/46/210213846.db2.gz VPMVXYSKVKFHCB-SDQBBNPISA-N 0 0 349.755 3.647 50 5 EHBARN O=[N+]([O-])c1c(N2CCCCCCC2)ncnc1N1CCCCCCC1 ZINC000004350587 210177995 /nfs/dbraw/zinc/17/79/95/210177995.db2.gz IELIXOIFZYDQNU-UHFFFAOYSA-N 0 0 347.463 3.926 50 5 EHBARN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000004299713 210163792 /nfs/dbraw/zinc/16/37/92/210163792.db2.gz SIOAHXULQUZTFV-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]1c1ccsc1 ZINC000040153689 213274390 /nfs/dbraw/zinc/27/43/90/213274390.db2.gz XKDJDIVDYSERRC-AWEZNQCLSA-N 0 0 332.381 3.784 50 5 EHBARN Cc1ccc(C(=O)Nc2ccc(-c3ncccn3)cc2)cc1[N+](=O)[O-] ZINC000069895248 215623012 /nfs/dbraw/zinc/62/30/12/215623012.db2.gz XHVYGVRYLONZOY-UHFFFAOYSA-N 0 0 334.335 3.613 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000032768065 212838232 /nfs/dbraw/zinc/83/82/32/212838232.db2.gz LIEHHVIAVIQEQM-GFCCVEGCSA-N 0 0 346.770 3.746 50 5 EHBARN Cn1c(CCCNc2ccc([N+](=O)[O-])cc2F)nc2ccccc21 ZINC000072307702 216146049 /nfs/dbraw/zinc/14/60/49/216146049.db2.gz YNGCWNADFITGCI-UHFFFAOYSA-N 0 0 328.347 3.665 50 5 EHBARN CCNc1nc(Sc2ncccc2[N+](=O)[O-])nc2ccccc21 ZINC000022406459 212295554 /nfs/dbraw/zinc/29/55/54/212295554.db2.gz LSLYJXHNMXPKCM-UHFFFAOYSA-N 0 0 327.369 3.516 50 5 EHBARN Nc1c(Cl)ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl ZINC000242178822 243012470 /nfs/dbraw/zinc/01/24/70/243012470.db2.gz XBCPWANOILTBQJ-UHFFFAOYSA-N 0 0 326.139 3.736 50 5 EHBARN O=C(NCc1ccco1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000017304962 211964914 /nfs/dbraw/zinc/96/49/14/211964914.db2.gz QDRQUVWSDDEOBE-UHFFFAOYSA-N 0 0 337.335 3.861 50 5 EHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2cccnc2)cc1 ZINC000081000008 217349070 /nfs/dbraw/zinc/34/90/70/217349070.db2.gz OHFPBLYGCOJAQY-GFCCVEGCSA-N 0 0 337.335 3.741 50 5 EHBARN C[C@H](Sc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011709098 211239511 /nfs/dbraw/zinc/23/95/11/211239511.db2.gz YDHFPGDRQUBCLT-VIFPVBQESA-N 0 0 337.788 3.763 50 5 EHBARN CCSc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000010252499 211157603 /nfs/dbraw/zinc/15/76/03/211157603.db2.gz GRJYAEKWHKZSLX-UHFFFAOYSA-N 0 0 346.408 3.897 50 5 EHBARN C[S@](=O)Cc1ccc(Cl)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000096427544 218799541 /nfs/dbraw/zinc/79/95/41/218799541.db2.gz JOTUEYVWMQGTHW-OAQYLSRUSA-N 0 0 344.845 3.800 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCSc2ccccc21 ZINC000005176902 210405679 /nfs/dbraw/zinc/40/56/79/210405679.db2.gz ICLGDMRTIKQHHQ-ROJDOSBLSA-N 0 0 340.404 3.961 50 5 EHBARN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000005034815 210370325 /nfs/dbraw/zinc/37/03/25/210370325.db2.gz SDUIIMOXRUBDPQ-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN Cc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000005050183 210374436 /nfs/dbraw/zinc/37/44/36/210374436.db2.gz DOPSJRPVRWAEOL-UHFFFAOYSA-N 0 0 340.383 3.541 50 5 EHBARN Nc1nc(Nc2ccccc2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000005026036 210365456 /nfs/dbraw/zinc/36/54/56/210365456.db2.gz QLNHRIBGEKBHNZ-UHFFFAOYSA-N 0 0 340.318 3.593 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncc(Cl)cc1Cl ZINC000004927467 210326285 /nfs/dbraw/zinc/32/62/85/210326285.db2.gz ZQZASIPCBKEWLM-UHFFFAOYSA-N 0 0 327.127 3.941 50 5 EHBARN O=C(NCc1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004833565 210292050 /nfs/dbraw/zinc/29/20/50/210292050.db2.gz DNMUAFRYLGFTLO-UHFFFAOYSA-N 0 0 338.319 3.910 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2ccccc2F)CC1 ZINC000055542937 132195727 /nfs/dbraw/zinc/19/57/27/132195727.db2.gz GTWXEUDIFYNRTB-UHFFFAOYSA-N 0 0 349.793 3.710 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000190266455 534321806 /nfs/dbraw/zinc/32/18/06/534321806.db2.gz VHLYVNBPLIUOPL-INIZCTEOSA-N 0 0 347.415 3.635 50 5 EHBARN Cc1cccc(CSCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004819666 524461234 /nfs/dbraw/zinc/46/12/34/524461234.db2.gz SHOXUDWXDNJCND-UHFFFAOYSA-N 0 0 330.409 3.566 50 5 EHBARN Cc1cccnc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000348659 563288653 /nfs/dbraw/zinc/28/86/53/563288653.db2.gz IYIVIKSNJNRSQB-UHFFFAOYSA-N 0 0 330.343 3.902 50 5 EHBARN O=C(c1csc(-c2ccoc2)n1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000072291395 563909006 /nfs/dbraw/zinc/90/90/06/563909006.db2.gz SRFSNEDAPVQMAC-UHFFFAOYSA-N 0 0 341.348 3.514 50 5 EHBARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000090857 563976471 /nfs/dbraw/zinc/97/64/71/563976471.db2.gz 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ZINC000005176905 563999903 /nfs/dbraw/zinc/99/99/03/563999903.db2.gz ICLGDMRTIKQHHQ-FDMDGMSGSA-N 0 0 340.404 3.961 50 5 EHBARN COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000000463264 564000728 /nfs/dbraw/zinc/00/07/28/564000728.db2.gz OGAUDJUFEGIDQU-CSKARUKUSA-N 0 0 342.351 3.572 50 5 EHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCCC2 ZINC000000466392 564000800 /nfs/dbraw/zinc/00/08/00/564000800.db2.gz DMBUKTNVYGLMKB-MDZDMXLPSA-N 0 0 329.381 3.582 50 5 EHBARN Nc1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000005659015 564007091 /nfs/dbraw/zinc/00/70/91/564007091.db2.gz FRGIMXHLDZTHEP-UHFFFAOYSA-N 0 0 341.150 3.841 50 5 EHBARN O=C(Nc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000569691 564023209 /nfs/dbraw/zinc/02/32/09/564023209.db2.gz OFRXFLCNWAKYTQ-UHFFFAOYSA-N 0 0 325.368 3.837 50 5 EHBARN COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1 ZINC000005720133 564023676 /nfs/dbraw/zinc/02/36/76/564023676.db2.gz WPEPCTQVPNIOFM-UHFFFAOYSA-N 0 0 330.384 3.758 50 5 EHBARN NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc(Cl)c2ccccc12 ZINC000048254108 564030494 /nfs/dbraw/zinc/03/04/94/564030494.db2.gz WYWFATKSUTWEAU-UHFFFAOYSA-N 0 0 343.726 3.688 50 5 EHBARN Cc1cccc(OCCN(C)c2ccc([N+](=O)[O-])c3cnccc32)c1 ZINC000015142708 564054628 /nfs/dbraw/zinc/05/46/28/564054628.db2.gz WNSKAEPWIZSFIS-UHFFFAOYSA-N 0 0 337.379 3.967 50 5 EHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCOc1ccccc1 ZINC000015178881 564056028 /nfs/dbraw/zinc/05/60/28/564056028.db2.gz GZLXUBYLEITKNQ-AWEZNQCLSA-N 0 0 328.368 3.583 50 5 EHBARN Cc1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1[N+](=O)[O-] ZINC000012781227 564069976 /nfs/dbraw/zinc/06/99/76/564069976.db2.gz SWACAOFLHFSCPR-UHFFFAOYSA-N 0 0 331.397 3.881 50 5 EHBARN COC(=O)/C=C/c1ccc(NCc2sccc2C)c([N+](=O)[O-])c1 ZINC000026730432 564088696 /nfs/dbraw/zinc/08/86/96/564088696.db2.gz SNXRVINODHXBAN-GQCTYLIASA-N 0 0 332.381 3.763 50 5 EHBARN CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007989881 564089156 /nfs/dbraw/zinc/08/91/56/564089156.db2.gz OBIGNGIQPRCWBK-LBPRGKRZSA-N 0 0 335.381 3.876 50 5 EHBARN Cc1csc(CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)n1 ZINC000076006302 564114226 /nfs/dbraw/zinc/11/42/26/564114226.db2.gz STOKOHRMECYENT-MRXNPFEDSA-N 0 0 347.440 3.541 50 5 EHBARN Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278877500 564139094 /nfs/dbraw/zinc/13/90/94/564139094.db2.gz OFGROQRFUUQEMI-UHFFFAOYSA-N 0 0 343.358 3.537 50 5 EHBARN Cc1cc(C)c(NC(=O)COc2nc(C)cc(C)c2[N+](=O)[O-])c(C)c1 ZINC000095469210 564141188 /nfs/dbraw/zinc/14/11/88/564141188.db2.gz YHZNVELIZHEHKP-UHFFFAOYSA-N 0 0 343.383 3.549 50 5 EHBARN O=[N+]([O-])c1cc(Cl)c(NCCCOC[C@@H]2CCOC2)c(Cl)c1 ZINC000095997128 564144288 /nfs/dbraw/zinc/14/42/88/564144288.db2.gz FSQWMMOBSOHMLH-JTQLQIEISA-N 0 0 349.214 3.757 50 5 EHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 ZINC000002630630 564151479 /nfs/dbraw/zinc/15/14/79/564151479.db2.gz JTDIHDSAWPDGEL-UHFFFAOYSA-N 0 0 328.393 3.814 50 5 EHBARN CCc1c(C)sc2ncn3nc(-c4ccccc4[N+](=O)[O-])nc3c12 ZINC000002808940 564152780 /nfs/dbraw/zinc/15/27/80/564152780.db2.gz VZFXRYJEOMZZFI-UHFFFAOYSA-N 0 0 339.380 3.785 50 5 EHBARN COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000002986127 564154160 /nfs/dbraw/zinc/15/41/60/564154160.db2.gz PVYSQBLGUCSYPV-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN COc1ccc(OC)c([C@@H](C[N+](=O)[O-])c2c(C)cc3ccccn32)c1 ZINC000003207297 564155952 /nfs/dbraw/zinc/15/59/52/564155952.db2.gz CJVLPMXYERLQQV-QGZVFWFLSA-N 0 0 340.379 3.674 50 5 EHBARN CS(=O)(=O)c1ccc(Nc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000008148704 564163207 /nfs/dbraw/zinc/16/32/07/564163207.db2.gz QOKVYQDUGKCLQW-UHFFFAOYSA-N 0 0 344.751 3.534 50 5 EHBARN COC(=O)c1cc(C(=O)Nc2cccc(C(C)C)c2)cc([N+](=O)[O-])c1 ZINC000008157865 564163255 /nfs/dbraw/zinc/16/32/55/564163255.db2.gz LFPIFWBEAGXDPE-UHFFFAOYSA-N 0 0 342.351 3.757 50 5 EHBARN CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000008496615 564165514 /nfs/dbraw/zinc/16/55/14/564165514.db2.gz REPHVOWEVGDMCG-HNNXBMFYSA-N 0 0 332.331 3.838 50 5 EHBARN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2)cc1SC ZINC000069740307 564171878 /nfs/dbraw/zinc/17/18/78/564171878.db2.gz GRQXTYVHPRYMIQ-UHFFFAOYSA-N 0 0 332.381 3.886 50 5 EHBARN COc1ccc2oc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1 ZINC000041156472 564173589 /nfs/dbraw/zinc/17/35/89/564173589.db2.gz HMGCDGNUJORZOG-UHFFFAOYSA-N 0 0 326.308 3.910 50 5 EHBARN O=C(NOCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000010319007 564175275 /nfs/dbraw/zinc/17/52/75/564175275.db2.gz BRFBERFNFSNYRA-UHFFFAOYSA-N 0 0 328.349 3.671 50 5 EHBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000342183664 1042830344 /nfs/dbraw/zinc/83/03/44/1042830344.db2.gz UIZJPASZPDSWDL-UHFFFAOYSA-N 0 0 337.335 3.851 50 5 EHBARN CCC(=O)Nc1cccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000097002901 1129754153 /nfs/dbraw/zinc/75/41/53/1129754153.db2.gz MSLSVQNFTUXMBM-KTKRTIGZSA-N 0 0 339.351 3.595 50 5 EHBARN CC[C@H]1C[C@H](CC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000585125050 1137014678 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O=c1oc2c(ccc3c2CN(Cc2ccccn2)CO3)c2ccccc21 ZINC000057122047 214405681 /nfs/dbraw/zinc/40/56/81/214405681.db2.gz WETRGWXJAHAHCS-UHFFFAOYSA-N 0 0 344.370 3.693 50 5 EHBARN CC[C@H](C)NC(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004660535 210239913 /nfs/dbraw/zinc/23/99/13/210239913.db2.gz XQWMVQSGFANEMD-ZDUSSCGKSA-N 0 0 339.395 3.817 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)cc1 ZINC000004603352 210231146 /nfs/dbraw/zinc/23/11/46/210231146.db2.gz VUJZNDKGLHKOHK-UHFFFAOYSA-N 0 0 333.250 3.913 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1cccc(O)c1 ZINC000004409772 210189556 /nfs/dbraw/zinc/18/95/56/210189556.db2.gz KAICHNMTDWAJQQ-UHFFFAOYSA-N 0 0 343.217 3.971 50 5 EHBARN COc1ncc([N+](=O)[O-])c(NN(c2ccccc2)c2ccccc2)n1 ZINC000004314793 210167365 /nfs/dbraw/zinc/16/73/65/210167365.db2.gz OJKDUFUBJPOMRI-UHFFFAOYSA-N 0 0 337.339 3.559 50 5 EHBARN Cc1ccc(C)c(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])c1 ZINC000004116731 210123043 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O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000040145746 213272301 /nfs/dbraw/zinc/27/23/01/213272301.db2.gz HDINOEUFZRCABM-ZIAGYGMSSA-N 0 0 346.408 3.593 50 5 EHBARN COc1cccc([C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000040038971 213253712 /nfs/dbraw/zinc/25/37/12/213253712.db2.gz AMWBSEHYIQVEED-QGZVFWFLSA-N 0 0 340.379 3.510 50 5 EHBARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000507634 209640709 /nfs/dbraw/zinc/64/07/09/209640709.db2.gz PMHVYPKNSLANMB-CQSZACIVSA-N 0 0 331.368 3.739 50 5 EHBARN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000036398159 213098503 /nfs/dbraw/zinc/09/85/03/213098503.db2.gz VPFLONOEKOTIBA-SECBINFHSA-N 0 0 344.758 3.616 50 5 EHBARN CC(C)[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000036394924 213096770 /nfs/dbraw/zinc/09/67/70/213096770.db2.gz YYZHFQLIAACNKG-AWEZNQCLSA-N 0 0 344.396 3.660 50 5 EHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N(c1ccccn1)c1ccccn1 ZINC000033400184 212933790 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O=C(Nc1nnc(C2CC2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000021292537 212218915 /nfs/dbraw/zinc/21/89/15/212218915.db2.gz OTZXHIUPVCAFSU-UHFFFAOYSA-N 0 0 346.393 3.791 50 5 EHBARN CCCCNc1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000020897860 212183204 /nfs/dbraw/zinc/18/32/04/212183204.db2.gz FXGFEFLFGAQSIN-UHFFFAOYSA-N 0 0 339.355 3.919 50 5 EHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2oc1=O ZINC000012062413 211284133 /nfs/dbraw/zinc/28/41/33/211284133.db2.gz VCRDDJQVJKGMBD-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN C[C@@H](c1ccccc1)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011701861 211238986 /nfs/dbraw/zinc/23/89/86/211238986.db2.gz JLQQYGDFDFQEBT-AWEZNQCLSA-N 0 0 327.384 3.616 50 5 EHBARN O=C(NCCCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000011175386 211206805 /nfs/dbraw/zinc/20/68/05/211206805.db2.gz ZQOTYBWVCYPEMY-UHFFFAOYSA-N 0 0 341.392 3.567 50 5 EHBARN CC(C)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000009754346 211122448 /nfs/dbraw/zinc/12/24/48/211122448.db2.gz 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CC1CCN(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000008707460 535274379 /nfs/dbraw/zinc/27/43/79/535274379.db2.gz AAGRVHWROPDIOG-HNNXBMFYSA-N 0 0 345.443 3.703 50 5 EHBARN Cc1cc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000002628099 563597118 /nfs/dbraw/zinc/59/71/18/563597118.db2.gz UUCHRWBYLCIKFC-NSHDSACASA-N 0 0 334.759 3.963 50 5 EHBARN NC(=O)c1ccc(N2CCC[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000032779305 563732830 /nfs/dbraw/zinc/73/28/30/563732830.db2.gz PYIQJOJQKJWPCX-AWEZNQCLSA-N 0 0 345.786 3.689 50 5 EHBARN CCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000004548801 563764494 /nfs/dbraw/zinc/76/44/94/563764494.db2.gz YBSDBWDMWZLDBF-QGZVFWFLSA-N 0 0 325.368 3.961 50 5 EHBARN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000013847222 563935220 /nfs/dbraw/zinc/93/52/20/563935220.db2.gz UHKQODLEQPOLGN-OAHLLOKOSA-N 0 0 344.367 3.708 50 5 EHBARN O=C(COc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000000038832 563967495 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Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000000193310 563988074 /nfs/dbraw/zinc/98/80/74/563988074.db2.gz OTTLEDYZGGMXRU-UHFFFAOYSA-N 0 0 328.372 3.628 50 5 EHBARN CC(C)CN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000000237453 563989018 /nfs/dbraw/zinc/98/90/18/563989018.db2.gz MFRRGLOGNPOZBE-UHFFFAOYSA-N 0 0 340.335 3.639 50 5 EHBARN O=[N+]([O-])c1cccc(C2=NOc3cc(Br)ccc3N2)c1 ZINC000000247038 563989124 /nfs/dbraw/zinc/98/91/24/563989124.db2.gz ZUWRMYAHGRCFCC-UHFFFAOYSA-N 0 0 334.129 3.523 50 5 EHBARN COc1ccc(NC(=O)/C=C\c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000033456439 563992172 /nfs/dbraw/zinc/99/21/72/563992172.db2.gz RGOKDINPMVWIAM-YVMONPNESA-N 0 0 332.743 3.909 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cccs1 ZINC000005049864 563994019 /nfs/dbraw/zinc/99/40/19/563994019.db2.gz VRRWAIMWZGEZBJ-UHFFFAOYSA-N 0 0 331.397 3.899 50 5 EHBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 ZINC000000444013 563999526 /nfs/dbraw/zinc/99/95/26/563999526.db2.gz NGWAQMFTQQMXDE-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000000460730 564000792 /nfs/dbraw/zinc/00/07/92/564000792.db2.gz MKEIHQYCJAXKSK-UHFFFAOYSA-N 0 0 341.367 3.750 50 5 EHBARN COc1nc2ccccc2cc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000005562626 564005633 /nfs/dbraw/zinc/00/56/33/564005633.db2.gz IPUKAERQJKKLDU-UHFFFAOYSA-N 0 0 348.318 3.869 50 5 EHBARN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(Cl)c1Cl ZINC000005584314 564005935 /nfs/dbraw/zinc/00/59/35/564005935.db2.gz OOSRILQVLZVDMQ-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN COc1ccc(-c2cn3cc(-c4cccc([N+](=O)[O-])c4)nc3n2C)cc1 ZINC000000819538 564035305 /nfs/dbraw/zinc/03/53/05/564035305.db2.gz ZWCJDHFGBRWEKJ-UHFFFAOYSA-N 0 0 348.362 3.924 50 5 EHBARN Cc1ccccc1NC1(CNc2ncc([N+](=O)[O-])cn2)CCCC1 ZINC000585139190 564052673 /nfs/dbraw/zinc/05/26/73/564052673.db2.gz OQOMDCKWCVYJOJ-UHFFFAOYSA-N 0 0 327.388 3.530 50 5 EHBARN CC[C@H](C)c1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-] ZINC000005971590 564057383 /nfs/dbraw/zinc/05/73/83/564057383.db2.gz UMOITUJBCWHAAI-LBPRGKRZSA-N 0 0 329.356 3.521 50 5 EHBARN Cc1nn(Cc2csc(Cc3ccccc3)n2)c(C)c1[N+](=O)[O-] ZINC000031645426 564057870 /nfs/dbraw/zinc/05/78/70/564057870.db2.gz BDDODKBHARVMMT-UHFFFAOYSA-N 0 0 328.397 3.504 50 5 EHBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000084493591 564068236 /nfs/dbraw/zinc/06/82/36/564068236.db2.gz CGKLMJDBKMBRBN-DOMZBBRYSA-N 0 0 327.384 3.871 50 5 EHBARN Cc1cnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000006083006 564073656 /nfs/dbraw/zinc/07/36/56/564073656.db2.gz KGSGDAYXLFFDJL-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN CN(Cc1ccccc1Br)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000006085381 564073679 /nfs/dbraw/zinc/07/36/79/564073679.db2.gz UMWXEVJYVUSDKA-UHFFFAOYSA-N 0 0 349.184 3.630 50 5 EHBARN CCn1c(=O)c2ccccc2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000006094202 564074001 /nfs/dbraw/zinc/07/40/01/564074001.db2.gz IPOIRRHTTKSNKM-UHFFFAOYSA-N 0 0 341.392 3.617 50 5 EHBARN Cc1cnc(N[C@H](C)c2ccc(-c3cncnc3)cc2)c([N+](=O)[O-])c1 ZINC000075064280 564079856 /nfs/dbraw/zinc/07/98/56/564079856.db2.gz LAAORECGOUQKBM-CYBMUJFWSA-N 0 0 335.367 3.928 50 5 EHBARN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000006259601 564083326 /nfs/dbraw/zinc/08/33/26/564083326.db2.gz MWPWMFVWVNIHDK-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN COc1c(NC(=O)Nc2ccc(SC)cc2)cccc1[N+](=O)[O-] ZINC000001741758 564086209 /nfs/dbraw/zinc/08/62/09/564086209.db2.gz JDYHPADESSEYRE-UHFFFAOYSA-N 0 0 333.369 3.969 50 5 EHBARN CC[C@H](C)c1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000006647868 564095302 /nfs/dbraw/zinc/09/53/02/564095302.db2.gz KPJPGDXKKJQHHX-NSHDSACASA-N 0 0 330.388 3.560 50 5 EHBARN O=C(CSCc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000007447662 564108608 /nfs/dbraw/zinc/10/86/08/564108608.db2.gz OZLGDRFSHPTWDV-UHFFFAOYSA-N 0 0 337.788 3.515 50 5 EHBARN Cc1nn(CCC(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000170621259 564110179 /nfs/dbraw/zinc/11/01/79/564110179.db2.gz SWWRNQVOODZYGO-ARFHVFGLSA-N 0 0 349.431 3.700 50 5 EHBARN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000016734176 564112871 /nfs/dbraw/zinc/11/28/71/564112871.db2.gz AYENKAPURSMZNR-CQSZACIVSA-N 0 0 348.424 3.593 50 5 EHBARN Cc1csc(CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)n1 ZINC000076006299 564114257 /nfs/dbraw/zinc/11/42/57/564114257.db2.gz STOKOHRMECYENT-INIZCTEOSA-N 0 0 347.440 3.541 50 5 EHBARN O=C(CSc1nccn1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000017156213 564116575 /nfs/dbraw/zinc/11/65/75/564116575.db2.gz SBVHAVHOEPXJKM-UHFFFAOYSA-N 0 0 346.412 3.637 50 5 EHBARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012790204 564135536 /nfs/dbraw/zinc/13/55/36/564135536.db2.gz QMPYINVCSNPUNZ-KRWDZBQOSA-N 0 0 326.352 3.581 50 5 EHBARN CC(=O)c1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000002623533 564151273 /nfs/dbraw/zinc/15/12/73/564151273.db2.gz HLCBTBQPFRLPAY-UHFFFAOYSA-N 0 0 329.381 3.915 50 5 EHBARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000003093838 564155087 /nfs/dbraw/zinc/15/50/87/564155087.db2.gz IEQFYCMLNOIQJC-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)cc3ccccn32)c(OC)c1 ZINC000003207276 564155949 /nfs/dbraw/zinc/15/59/49/564155949.db2.gz XOYGAPMRCKVHIR-QGZVFWFLSA-N 0 0 340.379 3.674 50 5 EHBARN Cc1nc(-c2ccc(Oc3c([N+](=O)[O-])ncn3C)c(F)c2)cs1 ZINC000030518701 564156607 /nfs/dbraw/zinc/15/66/07/564156607.db2.gz VVBDUZUAOOTERX-UHFFFAOYSA-N 0 0 334.332 3.692 50 5 EHBARN COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000008751892 564167314 /nfs/dbraw/zinc/16/73/14/564167314.db2.gz FOXISJBWMOHGQK-UHFFFAOYSA-N 0 0 340.257 3.875 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000175071874 564175251 /nfs/dbraw/zinc/17/52/51/564175251.db2.gz QRBXUYQUWFSOPF-MRXNPFEDSA-N 0 0 344.392 3.573 50 5 EHBARN O=C(c1ccnc(F)c1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078471830 564176988 /nfs/dbraw/zinc/17/69/88/564176988.db2.gz AXLZKBXRSPLALU-UHFFFAOYSA-N 0 0 349.749 3.839 50 5 EHBARN CCN(CC)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052929012 214155428 /nfs/dbraw/zinc/15/54/28/214155428.db2.gz YVHGOEFAOIMWEB-ZDUSSCGKSA-N 0 0 342.399 3.645 50 5 EHBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004689006 210248051 /nfs/dbraw/zinc/24/80/51/210248051.db2.gz FZXSKGMYZSIGQH-UHFFFAOYSA-N 0 0 334.803 3.947 50 5 EHBARN C[C@H]1Cc2ccccc2N1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000058425203 214583525 /nfs/dbraw/zinc/58/35/25/214583525.db2.gz FNGVMHSYKHDFFY-ZDUSSCGKSA-N 0 0 335.363 3.527 50 5 EHBARN CC(C)CC(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000058434906 214587893 /nfs/dbraw/zinc/58/78/93/214587893.db2.gz UTYKDIGYHOMRCF-UHFFFAOYSA-N 0 0 328.372 3.587 50 5 EHBARN COc1cccc(/N=c2\oc3ccc4ccccc4c3cc2C(N)=O)c1 ZINC000004615113 210231502 /nfs/dbraw/zinc/23/15/02/210231502.db2.gz VZASAUBOCVVBGP-LNVKXUELSA-N 0 0 344.370 3.926 50 5 EHBARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004559915 210220846 /nfs/dbraw/zinc/22/08/46/210220846.db2.gz YEFSQASFGWYJOU-UHFFFAOYSA-N 0 0 341.776 3.501 50 5 EHBARN O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCCC1 ZINC000004542659 210217884 /nfs/dbraw/zinc/21/78/84/210217884.db2.gz NCLKVLLTDRRTOV-UHFFFAOYSA-N 0 0 328.368 3.800 50 5 EHBARN CCc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000004524550 210214173 /nfs/dbraw/zinc/21/41/73/210214173.db2.gz HASHWKILDGVNOA-UHFFFAOYSA-N 0 0 343.339 3.935 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cnccc1C(F)(F)F ZINC000004394681 210187798 /nfs/dbraw/zinc/18/77/98/210187798.db2.gz GBBQLIGTBNMJPG-UHFFFAOYSA-N 0 0 345.664 3.914 50 5 EHBARN Cc1ccc(C2=Nc3ncnn3[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000101052445 219115455 /nfs/dbraw/zinc/11/54/55/219115455.db2.gz FGVRKMMDTGFSCO-KRWDZBQOSA-N 0 0 333.351 3.551 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1cccnc1 ZINC000004306109 210165380 /nfs/dbraw/zinc/16/53/80/210165380.db2.gz BXCVGJLGFQGUDJ-UHFFFAOYSA-N 0 0 329.190 3.709 50 5 EHBARN Cc1ccc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])s1 ZINC000047971260 213878790 /nfs/dbraw/zinc/87/87/90/213878790.db2.gz XMTCZELHQJFQCR-SOFGYWHQSA-N 0 0 339.376 3.831 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCCCC1 ZINC000047864326 213870985 /nfs/dbraw/zinc/87/09/85/213870985.db2.gz CTNATDRCCJFWEP-UHFFFAOYSA-N 0 0 329.303 3.604 50 5 EHBARN COC(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(Cl)c1 ZINC000065607543 214977555 /nfs/dbraw/zinc/97/75/55/214977555.db2.gz QKSWFRKAYXUWCQ-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN COc1ccc(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004056109 210108995 /nfs/dbraw/zinc/10/89/95/210108995.db2.gz YDPPXXRFHIIRAG-UHFFFAOYSA-N 0 0 344.367 3.710 50 5 EHBARN O=C(OCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000003901795 210088661 /nfs/dbraw/zinc/08/86/61/210088661.db2.gz GHOBYVVKDCWFAU-UHFFFAOYSA-N 0 0 331.372 3.527 50 5 EHBARN Cc1ccc(NC(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1 ZINC000003897765 210087381 /nfs/dbraw/zinc/08/73/81/210087381.db2.gz OXXSUHLVQJJKJU-UHFFFAOYSA-N 0 0 325.118 3.511 50 5 EHBARN N=C1N(c2cccc([N+](=O)[O-])c2)Cc2ccccc2C12CCOCC2 ZINC000003878914 210084109 /nfs/dbraw/zinc/08/41/09/210084109.db2.gz JYHVPIFJQHJRSD-UHFFFAOYSA-N 0 0 337.379 3.640 50 5 EHBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2OC(C)C)c1 ZINC000066432827 215041393 /nfs/dbraw/zinc/04/13/93/215041393.db2.gz GINKRHDOQRCRSN-UHFFFAOYSA-N 0 0 348.330 3.782 50 5 EHBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3ccc(C)nc32)c1 ZINC000066461860 215043562 /nfs/dbraw/zinc/04/35/62/215043562.db2.gz JKWWPZJGOZYTDG-UHFFFAOYSA-N 0 0 337.335 3.712 50 5 EHBARN Cc1c(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000067662412 215176447 /nfs/dbraw/zinc/17/64/47/215176447.db2.gz YTZRATORDFGIPF-DZGCQCFKSA-N 0 0 329.331 3.720 50 5 EHBARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002504170 209859247 /nfs/dbraw/zinc/85/92/47/209859247.db2.gz WSEROZVNFZGCTN-QGZVFWFLSA-N 0 0 328.393 3.936 50 5 EHBARN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccsc1 ZINC000040110446 213267599 /nfs/dbraw/zinc/26/75/99/213267599.db2.gz JSCAXBMPEWRLFJ-HNNXBMFYSA-N 0 0 345.424 3.822 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1OC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000040059842 213256268 /nfs/dbraw/zinc/25/62/68/213256268.db2.gz ZXTZNZPQRXFNCW-UHFFFAOYSA-N 0 0 347.754 3.894 50 5 EHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1Cl ZINC000040012831 213250736 /nfs/dbraw/zinc/25/07/36/213250736.db2.gz JKNJCUZCTOSWAN-QMMMGPOBSA-N 0 0 342.182 3.731 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccnc1[N+](=O)[O-] ZINC000037866223 213171964 /nfs/dbraw/zinc/17/19/64/213171964.db2.gz DXWAJFIOZSJWHJ-UHFFFAOYSA-N 0 0 329.190 3.709 50 5 EHBARN COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000069844058 215601847 /nfs/dbraw/zinc/60/18/47/215601847.db2.gz QNFKYGGGHNSSBP-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN CCn1cnc2cc(-c3noc(-c4cccc([N+](=O)[O-])c4C)n3)ccc21 ZINC000035453454 213029491 /nfs/dbraw/zinc/02/94/91/213029491.db2.gz NPKMDGCDWZRNNK-UHFFFAOYSA-N 0 0 349.350 3.990 50 5 EHBARN Cc1cccc(C2=N/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)O2)c1 ZINC000000340204 209541700 /nfs/dbraw/zinc/54/17/00/209541700.db2.gz GXIPCJVIUUNIDR-SDKHNTRVSA-N 0 0 334.331 3.804 50 5 EHBARN Cn1c2cc(Sc3ccccc3Cl)c([N+](=O)[O-])cc2n(C)c1=O ZINC000072422449 216211314 /nfs/dbraw/zinc/21/13/14/216211314.db2.gz XCSJJCWLSWRBOG-UHFFFAOYSA-N 0 0 349.799 3.590 50 5 EHBARN Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000021820556 212253810 /nfs/dbraw/zinc/25/38/10/212253810.db2.gz IRWKXRPXCJSJDP-UHFFFAOYSA-N 0 0 349.408 3.968 50 5 EHBARN O=[N+]([O-])c1cccc(-c2ccc(-c3nnc(-c4ccncc4)o3)o2)c1 ZINC000020714668 212162712 /nfs/dbraw/zinc/16/27/12/212162712.db2.gz DMLTZILVFAZYBO-UHFFFAOYSA-N 0 0 334.291 3.967 50 5 EHBARN CSc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000018009696 211978003 /nfs/dbraw/zinc/97/80/03/211978003.db2.gz HTAYVQCOUJOHKF-UHFFFAOYSA-N 0 0 334.372 3.728 50 5 EHBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1nc2ccccc2n1C(F)F ZINC000012525550 211398881 /nfs/dbraw/zinc/39/88/81/211398881.db2.gz BBSBTXUQKAZDOF-VIFPVBQESA-N 0 0 333.298 3.908 50 5 EHBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000012416242 211373114 /nfs/dbraw/zinc/37/31/14/211373114.db2.gz AYPHNVWXKGDWPV-INIZCTEOSA-N 0 0 338.367 3.598 50 5 EHBARN O=C(Cc1csc(-c2cccs2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000009479419 211089352 /nfs/dbraw/zinc/08/93/52/211089352.db2.gz PQMBHTCHHRQQGB-UHFFFAOYSA-N 0 0 345.405 3.961 50 5 EHBARN Cc1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000095349169 218283897 /nfs/dbraw/zinc/28/38/97/218283897.db2.gz RTWSZZLRVFMBGI-UHFFFAOYSA-N 0 0 348.406 3.778 50 5 EHBARN O=C(Nn1cnc2ccccc21)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009112505 211040941 /nfs/dbraw/zinc/04/09/41/211040941.db2.gz VTEAZTXTGRMTSC-UHFFFAOYSA-N 0 0 338.348 3.543 50 5 EHBARN CCCCCCN(CCCCCC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000006398166 210628705 /nfs/dbraw/zinc/62/87/05/210628705.db2.gz RMAPOQPENYXCCC-UHFFFAOYSA-N 0 0 338.452 3.931 50 5 EHBARN CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+](=O)[O-])cc1 ZINC000005136457 210398691 /nfs/dbraw/zinc/39/86/91/210398691.db2.gz LOQLRFNYEDDFPA-UHFFFAOYSA-N 0 0 336.394 3.590 50 5 EHBARN CCOc1cc(OCC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005073055 210384960 /nfs/dbraw/zinc/38/49/60/210384960.db2.gz AWPXSOTXVOKSJT-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1nc2c(s1)CCCC2 ZINC000005041418 210371512 /nfs/dbraw/zinc/37/15/12/210371512.db2.gz HTQWUSIKDXZDEH-UHFFFAOYSA-N 0 0 348.384 3.583 50 5 EHBARN O=[N+]([O-])c1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000005019697 210363770 /nfs/dbraw/zinc/36/37/70/210363770.db2.gz UFYSUQSDLCECNE-UHFFFAOYSA-N 0 0 346.686 3.873 50 5 EHBARN Cc1noc(/C=C/c2ccc(F)c(Br)c2)c1[N+](=O)[O-] ZINC000004771054 210274042 /nfs/dbraw/zinc/27/40/42/210274042.db2.gz SRGGYWGAECSOBG-HWKANZROSA-N 0 0 327.109 3.963 50 5 EHBARN O=[N+]([O-])c1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1 ZINC000000268034 135648128 /nfs/dbraw/zinc/64/81/28/135648128.db2.gz KZIQEJXXQGBRLR-UHFFFAOYSA-N 0 0 340.408 3.531 50 5 EHBARN O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1N1CCc2ccccc2C1 ZINC000004168612 135662613 /nfs/dbraw/zinc/66/26/13/135662613.db2.gz OKVONNPRUXEXJO-UHFFFAOYSA-N 0 0 341.386 3.897 50 5 EHBARN COc1ccc(Cl)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000253432469 524185393 /nfs/dbraw/zinc/18/53/93/524185393.db2.gz KNJCMHCRNJYJQC-JTQLQIEISA-N 0 0 334.759 3.999 50 5 EHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000175298730 563546279 /nfs/dbraw/zinc/54/62/79/563546279.db2.gz PIOCMFXHHZRSFT-GFCCVEGCSA-N 0 0 349.778 3.730 50 5 EHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1C2CC3CC(C2)CC1C3 ZINC000000380205 563842005 /nfs/dbraw/zinc/84/20/05/563842005.db2.gz BYWOSWHVXMNXHX-TWGAKMIASA-N 0 0 328.412 3.785 50 5 EHBARN O=c1ccc([N+](=O)[O-])cn1Cc1nc2ccccc2c2ccccc21 ZINC000026483210 563891867 /nfs/dbraw/zinc/89/18/67/563891867.db2.gz DDQBQNIZSZEQBK-UHFFFAOYSA-N 0 0 331.331 3.506 50 5 EHBARN CCc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000026544419 563892154 /nfs/dbraw/zinc/89/21/54/563892154.db2.gz OEXSMYSJDULFSV-UHFFFAOYSA-N 0 0 334.397 3.575 50 5 EHBARN COc1ccc(NC(=O)c2cnc(-c3ccoc3)s2)c([N+](=O)[O-])c1 ZINC000072292165 563909494 /nfs/dbraw/zinc/90/94/94/563909494.db2.gz QNFUGCOKMAKVKT-UHFFFAOYSA-N 0 0 345.336 3.572 50 5 EHBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccs1 ZINC000033090809 563963485 /nfs/dbraw/zinc/96/34/85/563963485.db2.gz VSYKTAXHQZWWNG-KOORZVIOSA-N 0 0 326.333 3.666 50 5 EHBARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004660688 563963488 /nfs/dbraw/zinc/96/34/88/563963488.db2.gz MEFFEMPVOVKYLL-GDBMZVCRSA-N 0 0 345.443 3.894 50 5 EHBARN Cc1nccc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000033124000 563963600 /nfs/dbraw/zinc/96/36/00/563963600.db2.gz NJQHOXPBHVYUOC-UHFFFAOYSA-N 0 0 348.362 3.541 50 5 EHBARN COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000097094830 563967425 /nfs/dbraw/zinc/96/74/25/563967425.db2.gz RHWPFHCZSMSFHO-HNNXBMFYSA-N 0 0 345.355 3.703 50 5 EHBARN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000097163077 563968455 /nfs/dbraw/zinc/96/84/55/563968455.db2.gz RZDXCIRAROXXPO-HNNXBMFYSA-N 0 0 343.387 3.612 50 5 EHBARN O=[N+]([O-])c1ccc2[nH]c(CN3CCOCC3)c(-c3ccccc3)c2c1 ZINC000033317339 563973635 /nfs/dbraw/zinc/97/36/35/563973635.db2.gz ASZPMZXHOOPUJD-UHFFFAOYSA-N 0 0 337.379 3.575 50 5 EHBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(Cl)cc1 ZINC000000070881 563973780 /nfs/dbraw/zinc/97/37/80/563973780.db2.gz DUZQLPOBIFJRHM-RIYZIHGNSA-N 0 0 328.711 3.593 50 5 EHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2c(=O)o1 ZINC000000204762 563988419 /nfs/dbraw/zinc/98/84/19/563988419.db2.gz SKYICWDAQZHNGK-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN Cc1ccc(C(=O)Nc2cc3cccc([N+](=O)[O-])c3oc2=O)cc1C ZINC000000253518 563989651 /nfs/dbraw/zinc/98/96/51/563989651.db2.gz NHRWZXBZSOTBFQ-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000000285272 563990143 /nfs/dbraw/zinc/99/01/43/563990143.db2.gz LQCQTTGNHMJTHK-UHFFFAOYSA-N 0 0 345.830 3.566 50 5 EHBARN O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000318912 563990927 /nfs/dbraw/zinc/99/09/27/563990927.db2.gz HHNJIJRSCSHDNA-UHFFFAOYSA-N 0 0 325.151 3.832 50 5 EHBARN O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000000358029 563991558 /nfs/dbraw/zinc/99/15/58/563991558.db2.gz QAVAYAXCKZNKEA-UHFFFAOYSA-N 0 0 339.376 3.894 50 5 EHBARN Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000000458787 563999770 /nfs/dbraw/zinc/99/97/70/563999770.db2.gz QAENAXMJVFUUCJ-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN Nc1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000005199332 564000358 /nfs/dbraw/zinc/00/03/58/564000358.db2.gz VTGBIGGBSFYMNV-UHFFFAOYSA-N 0 0 327.123 3.703 50 5 EHBARN CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000005552308 564005283 /nfs/dbraw/zinc/00/52/83/564005283.db2.gz LGLFDVSNBUEAJW-NTEUORMPSA-N 0 0 344.348 3.911 50 5 EHBARN O=C(c1cscn1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103003167 564021094 /nfs/dbraw/zinc/02/10/94/564021094.db2.gz QDXOZAISJSXVGC-UHFFFAOYSA-N 0 0 337.788 3.762 50 5 EHBARN Cc1sc(C(=O)NCc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000024474646 564021445 /nfs/dbraw/zinc/02/14/45/564021445.db2.gz NCJKNHLMSIUHNS-UHFFFAOYSA-N 0 0 333.394 3.504 50 5 EHBARN Cc1c(NC(=O)c2ccc(Br)s2)cccc1[N+](=O)[O-] ZINC000001053565 564054227 /nfs/dbraw/zinc/05/42/27/564054227.db2.gz ITVBCNHMAFZPRM-UHFFFAOYSA-N 0 0 341.186 3.980 50 5 EHBARN Cn1c(Cc2cccs2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000001058040 564054268 /nfs/dbraw/zinc/05/42/68/564054268.db2.gz JDMDNUKJORBAQP-UHFFFAOYSA-N 0 0 346.437 3.668 50 5 EHBARN Cc1nn([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c(C)c1[N+](=O)[O-] ZINC000001068586 564054303 /nfs/dbraw/zinc/05/43/03/564054303.db2.gz CVSWNQMDVISKQE-NSHDSACASA-N 0 0 336.779 3.570 50 5 EHBARN Cc1ccc(C(=O)C2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000025576806 564056265 /nfs/dbraw/zinc/05/62/65/564056265.db2.gz XAHJMNABMGPDPV-UHFFFAOYSA-N 0 0 339.395 3.706 50 5 EHBARN CN(Cc1cccc([N+](=O)[O-])c1)c1ncnc2c3ccccc3oc21 ZINC000025580993 564056292 /nfs/dbraw/zinc/05/62/92/564056292.db2.gz ZTOVOWYQILSZMU-UHFFFAOYSA-N 0 0 334.335 3.921 50 5 EHBARN C[C@H](CCc1ccco1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000012586930 564060173 /nfs/dbraw/zinc/06/01/73/564060173.db2.gz QNCMTQAUAQHHQQ-CQSZACIVSA-N 0 0 345.399 3.517 50 5 EHBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccccc1 ZINC000263588650 564061910 /nfs/dbraw/zinc/06/19/10/564061910.db2.gz WRLRTNZLSYZHCW-UHFFFAOYSA-N 0 0 331.331 3.946 50 5 EHBARN CC(C)(C)C[C@@H]1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000084169749 564067128 /nfs/dbraw/zinc/06/71/28/564067128.db2.gz HGBSHNRLBKNJNQ-LBPRGKRZSA-N 0 0 330.388 3.512 50 5 EHBARN CN(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000015990152 564078982 /nfs/dbraw/zinc/07/89/82/564078982.db2.gz OPSLOZJFXFZBFL-MDZDMXLPSA-N 0 0 330.771 3.920 50 5 EHBARN CCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000026544429 564082890 /nfs/dbraw/zinc/08/28/90/564082890.db2.gz UXXGSUZNKLYYFX-UHFFFAOYSA-N 0 0 340.788 3.611 50 5 EHBARN O=C(NCCSc1ccc(Cl)cc1)c1csc([N+](=O)[O-])c1 ZINC000044346614 564086065 /nfs/dbraw/zinc/08/60/65/564086065.db2.gz LBPMIYLRZFKTAB-UHFFFAOYSA-N 0 0 342.829 3.832 50 5 EHBARN Cc1ccc(-c2cc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)on2)cc1 ZINC000075518074 564087588 /nfs/dbraw/zinc/08/75/88/564087588.db2.gz KDFJQMGUHFBTDS-UHFFFAOYSA-N 0 0 337.335 3.835 50 5 EHBARN COc1ccc(NC(=O)CNc2ccc(C)cc2Cl)c([N+](=O)[O-])c1 ZINC000007972411 564092655 /nfs/dbraw/zinc/09/26/55/564092655.db2.gz FQTRMYUVDLQPBV-UHFFFAOYSA-N 0 0 349.774 3.616 50 5 EHBARN O=C(Cn1ccc([N+](=O)[O-])n1)N1c2ccccc2C=Cc2ccccc21 ZINC000006668602 564095709 /nfs/dbraw/zinc/09/57/09/564095709.db2.gz QPMJXLGAHQQGNN-UHFFFAOYSA-N 0 0 346.346 3.640 50 5 EHBARN CC(C)N(CC(F)F)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000151252717 564103615 /nfs/dbraw/zinc/10/36/15/564103615.db2.gz OLNSWDRHEHLEHM-UHFFFAOYSA-N 0 0 340.248 3.729 50 5 EHBARN Cc1cccc(OCc2nnc(-c3cccc(F)c3)o2)c1[N+](=O)[O-] ZINC000089688895 564113047 /nfs/dbraw/zinc/11/30/47/564113047.db2.gz XLWJCNLGGIBGGD-UHFFFAOYSA-N 0 0 329.287 3.671 50 5 EHBARN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc2S1 ZINC000089919688 564115396 /nfs/dbraw/zinc/11/53/96/564115396.db2.gz MBPGDBKCMXDROD-UHFFFAOYSA-N 0 0 329.381 3.521 50 5 EHBARN CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC000252510458 564120007 /nfs/dbraw/zinc/12/00/07/564120007.db2.gz ZLHAOGBUENACSR-UHFFFAOYSA-N 0 0 328.246 3.873 50 5 EHBARN COc1ccc(N(C)C(=O)c2cccc([N+](=O)[O-])c2F)cc1Cl ZINC000253418549 564130927 /nfs/dbraw/zinc/13/09/27/564130927.db2.gz SWGDPSHHRQIDHO-UHFFFAOYSA-N 0 0 338.722 3.673 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000012998270 564135811 /nfs/dbraw/zinc/13/58/11/564135811.db2.gz JHVWCMCEIRVWNF-UHFFFAOYSA-N 0 0 329.331 3.930 50 5 EHBARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012993474 564135817 /nfs/dbraw/zinc/13/58/17/564135817.db2.gz NXRYNXFMGVSGGA-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN CCCCc1noc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000095977369 564143613 /nfs/dbraw/zinc/14/36/13/564143613.db2.gz MOWKHEGTKQQEFL-UHFFFAOYSA-N 0 0 345.277 3.918 50 5 EHBARN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000225634050 564150046 /nfs/dbraw/zinc/15/00/46/564150046.db2.gz LQEZNNABELLKIV-CQSZACIVSA-N 0 0 340.383 3.628 50 5 EHBARN Cn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccccn1 ZINC000302612090 564150836 /nfs/dbraw/zinc/15/08/36/564150836.db2.gz AVLVCPNQIWUERA-UHFFFAOYSA-N 0 0 347.787 3.590 50 5 EHBARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000002763518 564152530 /nfs/dbraw/zinc/15/25/30/564152530.db2.gz YJFMLQCWKFZPAY-GFCCVEGCSA-N 0 0 332.331 3.757 50 5 EHBARN Cc1cccc2c1N[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1)NC2=O ZINC000028923751 564152850 /nfs/dbraw/zinc/15/28/50/564152850.db2.gz LLIZCCGZMMRIKN-SFHVURJKSA-N 0 0 348.362 3.548 50 5 EHBARN CC[C@H](Nc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1ccccc1OC ZINC000029589046 564153718 /nfs/dbraw/zinc/15/37/18/564153718.db2.gz ODJWZGHSNSYIGV-ZDUSSCGKSA-N 0 0 343.387 3.531 50 5 EHBARN COc1ccc(OC)c([C@H](C[N+](=O)[O-])c2c(C)cc3ccccn32)c1 ZINC000003207295 564155962 /nfs/dbraw/zinc/15/59/62/564155962.db2.gz CJVLPMXYERLQQV-KRWDZBQOSA-N 0 0 340.379 3.674 50 5 EHBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cnc2ccccc2c1 ZINC000058423230 564159104 /nfs/dbraw/zinc/15/91/04/564159104.db2.gz SJRQCGXZZXMPFY-UHFFFAOYSA-N 0 0 346.346 3.736 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000133947641 564160538 /nfs/dbraw/zinc/16/05/38/564160538.db2.gz CTEKQTVQXMWOIM-UHFFFAOYSA-N 0 0 334.715 3.538 50 5 EHBARN COc1ccc(OCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1 ZINC000008202355 564163535 /nfs/dbraw/zinc/16/35/35/564163535.db2.gz KOTXGSNJGHVCCH-UHFFFAOYSA-N 0 0 326.308 3.837 50 5 EHBARN Cc1ccc(OCCn2cnc3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000008708002 564166548 /nfs/dbraw/zinc/16/65/48/564166548.db2.gz HJZAWMSIBMQQJM-UHFFFAOYSA-N 0 0 325.368 3.949 50 5 EHBARN Cc1ccccc1C(=O)NCCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004703755 210253814 /nfs/dbraw/zinc/25/38/14/210253814.db2.gz GQDFPQBPZUHZPG-UHFFFAOYSA-N 0 0 347.802 3.789 50 5 EHBARN CCOc1ccc(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004701180 210252772 /nfs/dbraw/zinc/25/27/72/210252772.db2.gz LMBGPJHXDVTIDZ-UHFFFAOYSA-N 0 0 340.379 3.825 50 5 EHBARN O=c1oc2c(ccc3c2CN(Cc2ccco2)CO3)c2ccccc12 ZINC000055393770 214318799 /nfs/dbraw/zinc/31/87/99/214318799.db2.gz FHOPZEMRXPEYDT-UHFFFAOYSA-N 0 0 333.343 3.891 50 5 biogenic EHBARN O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000055796816 214342207 /nfs/dbraw/zinc/34/22/07/214342207.db2.gz MPDZUMBJBSLORP-BJMVGYQFSA-N 0 0 348.305 3.526 50 5 EHBARN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000057282237 214415974 /nfs/dbraw/zinc/41/59/74/214415974.db2.gz OQRPGPILOOAFHU-VIFPVBQESA-N 0 0 349.730 3.647 50 5 EHBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(F)c1 ZINC000004590058 210228502 /nfs/dbraw/zinc/22/85/02/210228502.db2.gz TXADUIYYBLLDEC-ZUNDVZSGSA-N 0 0 338.294 3.744 50 5 EHBARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000004410930 210189351 /nfs/dbraw/zinc/18/93/51/210189351.db2.gz FZSDGMZLZXGGBN-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004156547 210133736 /nfs/dbraw/zinc/13/37/36/210133736.db2.gz JXLUSNSGHKUZRB-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])c1 ZINC000004010528 210099844 /nfs/dbraw/zinc/09/98/44/210099844.db2.gz JNQDLOWGDQEGOE-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000003239493 209985114 /nfs/dbraw/zinc/98/51/14/209985114.db2.gz GIRMFKQZCQMVFO-UHFFFAOYSA-N 0 0 336.141 3.714 50 5 EHBARN CCOc1ccc2nc(SCn3cc([N+](=O)[O-])cn3)sc2c1 ZINC000002784775 209912532 /nfs/dbraw/zinc/91/25/32/209912532.db2.gz ONJPDZGHSIGACW-UHFFFAOYSA-N 0 0 336.398 3.550 50 5 EHBARN O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)c(Cl)c([N+](=O)[O-])c1 ZINC000002252750 209835248 /nfs/dbraw/zinc/83/52/48/209835248.db2.gz GHUOHKRZQVWFGJ-UHFFFAOYSA-N 0 0 346.686 3.873 50 5 EHBARN CN(CCOc1ccccc1Cl)Cc1csc([N+](=O)[O-])c1 ZINC000040149677 213272886 /nfs/dbraw/zinc/27/28/86/213272886.db2.gz DOJJNECHGBDEAG-UHFFFAOYSA-N 0 0 326.805 3.821 50 5 EHBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@H]2CCCC[C@H]21 ZINC000040145745 213272218 /nfs/dbraw/zinc/27/22/18/213272218.db2.gz HDINOEUFZRCABM-KGLIPLIRSA-N 0 0 346.408 3.593 50 5 EHBARN CCOc1ccc(C(=O)N2CCCCc3ccccc32)cc1[N+](=O)[O-] ZINC000040133929 213271451 /nfs/dbraw/zinc/27/14/51/213271451.db2.gz PGUKINWWLLVKNQ-UHFFFAOYSA-N 0 0 340.379 3.977 50 5 EHBARN O=C(Oc1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001070946 209709004 /nfs/dbraw/zinc/70/90/04/209709004.db2.gz DUGHWOWHPWFJJD-UHFFFAOYSA-N 0 0 345.694 3.574 50 5 EHBARN Cc1cc(OCC(=O)Nc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000001053745 209705026 /nfs/dbraw/zinc/70/50/26/209705026.db2.gz PPTSQQRADMTDLW-UHFFFAOYSA-N 0 0 349.412 3.675 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1Cl ZINC000000511954 209642032 /nfs/dbraw/zinc/64/20/32/209642032.db2.gz LKTFHWBKTUIIHX-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN COc1ccc(C(=O)N[C@@H](C)c2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000069847587 215605218 /nfs/dbraw/zinc/60/52/18/215605218.db2.gz FWLNZTYEDRULAU-JTQLQIEISA-N 0 0 349.412 3.674 50 5 EHBARN NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000000150678 209453655 /nfs/dbraw/zinc/45/36/55/209453655.db2.gz BJWAAURPXZRANS-UHFFFAOYSA-N 0 0 326.230 3.505 50 5 EHBARN O=C(CSc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C1CC1 ZINC000024982707 212451837 /nfs/dbraw/zinc/45/18/37/212451837.db2.gz XFLOOBHUHWWOPL-UHFFFAOYSA-N 0 0 342.420 3.878 50 5 EHBARN O=[N+]([O-])c1cccnc1Sc1nnc(C2CC2)n1-c1ccccc1 ZINC000023043449 212343714 /nfs/dbraw/zinc/34/37/14/212343714.db2.gz GEYPEERZHKXGEW-UHFFFAOYSA-N 0 0 339.380 3.599 50 5 EHBARN COc1cccc(C(=O)Nc2cccc(-n3cccc3)c2)c1[N+](=O)[O-] ZINC000193959634 240380126 /nfs/dbraw/zinc/38/01/26/240380126.db2.gz IVJZPHFIUKYANF-UHFFFAOYSA-N 0 0 337.335 3.646 50 5 EHBARN COc1cccc(C(=O)N(c2ccccn2)C2CCCC2)c1[N+](=O)[O-] ZINC000194719477 240687713 /nfs/dbraw/zinc/68/77/13/240687713.db2.gz CLTIZWWQMVLBJO-UHFFFAOYSA-N 0 0 341.367 3.588 50 5 EHBARN O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccccc1Cl ZINC000019959378 212090211 /nfs/dbraw/zinc/09/02/11/212090211.db2.gz SFIPFQZBJWURJB-UHFFFAOYSA-N 0 0 346.777 3.840 50 5 EHBARN C[S@@](=O)Cc1ccc(Cl)c(NCc2ccccc2[N+](=O)[O-])c1 ZINC000078987665 217166357 /nfs/dbraw/zinc/16/63/57/217166357.db2.gz ZWUFOEQDJYWOMI-QFIPXVFZSA-N 0 0 338.816 3.739 50 5 EHBARN COc1ccc([C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000015541777 211829307 /nfs/dbraw/zinc/82/93/07/211829307.db2.gz XILNEZOKEYYDRL-KRWDZBQOSA-N 0 0 340.379 3.510 50 5 EHBARN Cc1cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1C1CC1 ZINC000084079499 217573561 /nfs/dbraw/zinc/57/35/61/217573561.db2.gz BGZXVOPHVYAAAI-LBPRGKRZSA-N 0 0 327.384 3.839 50 5 EHBARN C[C@@H]1C[C@@H](C)CN(C(=S)Sc2ccc([N+](=O)[O-])cc2C=O)C1 ZINC000013574137 211583491 /nfs/dbraw/zinc/58/34/91/211583491.db2.gz RRAKSLJSZXGXFL-GHMZBOCLSA-N 0 0 338.454 3.762 50 5 EHBARN O=C(c1csc([N+](=O)[O-])c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000089775058 217841530 /nfs/dbraw/zinc/84/15/30/217841530.db2.gz GUQNKALGUALFHN-UHFFFAOYSA-N 0 0 348.399 3.890 50 5 EHBARN CC(=O)c1ccc(N[C@@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000012521981 211398025 /nfs/dbraw/zinc/39/80/25/211398025.db2.gz YFOSBBTYFRKULM-JTQLQIEISA-N 0 0 328.324 3.699 50 5 EHBARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000012137661 211302281 /nfs/dbraw/zinc/30/22/81/211302281.db2.gz MURURWRZBSUGQC-MRXNPFEDSA-N 0 0 344.367 3.708 50 5 EHBARN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1Cl ZINC000010609858 211182160 /nfs/dbraw/zinc/18/21/60/211182160.db2.gz JHBNTQYOTIZKNR-LLVKDONJSA-N 0 0 348.786 3.966 50 5 EHBARN Cc1c(C(=O)N(C(=O)N2CCCCC2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000010254420 211156995 /nfs/dbraw/zinc/15/69/95/211156995.db2.gz RUNLYOQXLKLWOX-UHFFFAOYSA-N 0 0 347.415 3.750 50 5 EHBARN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 ZINC000009300280 211063559 /nfs/dbraw/zinc/06/35/59/211063559.db2.gz HOHXKQVNALFDJP-UHFFFAOYSA-N 0 0 344.327 3.505 50 5 EHBARN Cc1cccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000009244028 211058778 /nfs/dbraw/zinc/05/87/78/211058778.db2.gz SGXWPFURCVCKDN-UHFFFAOYSA-N 0 0 342.380 3.510 50 5 EHBARN O=C(N=c1[nH]c2ccccc2s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000009012366 211031097 /nfs/dbraw/zinc/03/10/97/211031097.db2.gz GUSCRAIMZQLILL-UHFFFAOYSA-N 0 0 333.756 3.532 50 5 EHBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2cc(C)cc(C)c2)n1 ZINC000095377597 218309674 /nfs/dbraw/zinc/30/96/74/218309674.db2.gz CWZCCZALRFUVAR-UHFFFAOYSA-N 0 0 340.339 3.551 50 5 EHBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)c1ccc2c(c1)CCC2 ZINC000008233954 210917698 /nfs/dbraw/zinc/91/76/98/210917698.db2.gz LTTSOHMRVAWWBW-SNVBAGLBSA-N 0 0 345.376 3.573 50 5 EHBARN NC(=O)c1ccc(NCCC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000007989729 210877716 /nfs/dbraw/zinc/87/77/16/210877716.db2.gz VXMQDTPIXDXAMG-UHFFFAOYSA-N 0 0 343.427 3.712 50 5 EHBARN Cc1cc2nc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)[nH]c2cc1C ZINC000007602751 210819611 /nfs/dbraw/zinc/81/96/11/210819611.db2.gz RDPYDMOGTVHLCG-UHFFFAOYSA-N 0 0 335.319 3.861 50 5 EHBARN O=C(NCc1ccccc1)c1cccc(Oc2ncccc2[N+](=O)[O-])c1 ZINC000007186547 210766632 /nfs/dbraw/zinc/76/66/32/210766632.db2.gz HNUJFNQYHPSXJR-UHFFFAOYSA-N 0 0 349.346 3.712 50 5 EHBARN O=[N+]([O-])c1ccc(/C=C/c2nn3c(nnc3-c3ccco3)s2)cc1 ZINC000005348920 210445605 /nfs/dbraw/zinc/44/56/05/210445605.db2.gz FFDDLSPRNXNKEU-VMPITWQZSA-N 0 0 339.336 3.524 50 5 EHBARN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000005118529 210393475 /nfs/dbraw/zinc/39/34/75/210393475.db2.gz KICCQTHZZNLLLR-UHFFFAOYSA-N 0 0 338.722 3.713 50 5 EHBARN O=[N+]([O-])c1ccc(NC(=S)NCCCCc2ccccc2)cc1 ZINC000005041929 210373345 /nfs/dbraw/zinc/37/33/45/210373345.db2.gz QWZKRTKNZLKVBG-UHFFFAOYSA-N 0 0 329.425 3.904 50 5 EHBARN CCOc1ccccc1NC(=S)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005041420 210371847 /nfs/dbraw/zinc/37/18/47/210371847.db2.gz OQHIWWWJDKZXQT-UHFFFAOYSA-N 0 0 335.360 3.942 50 5 EHBARN COc1ccc(NC(=S)Nc2cccc(C(C)=O)c2)c([N+](=O)[O-])c1 ZINC000005041674 210370896 /nfs/dbraw/zinc/37/08/96/210370896.db2.gz LNHAHZYUGPIYHU-UHFFFAOYSA-N 0 0 345.380 3.615 50 5 EHBARN COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CCc1ccccc1 ZINC000004904230 210317314 /nfs/dbraw/zinc/31/73/14/210317314.db2.gz DMVZUOKUMFLESU-UHFFFAOYSA-N 0 0 334.759 3.828 50 5 EHBARN COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000004902806 210317212 /nfs/dbraw/zinc/31/72/12/210317212.db2.gz RGOKDINPMVWIAM-VMPITWQZSA-N 0 0 332.743 3.909 50 5 EHBARN COc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000004827074 210289024 /nfs/dbraw/zinc/28/90/24/210289024.db2.gz UTEANAPNHNEVQS-UHFFFAOYSA-N 0 0 337.339 3.559 50 5 EHBARN Cc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000004819791 210287786 /nfs/dbraw/zinc/28/77/86/210287786.db2.gz BOBJUXVBJMKTJR-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000000455934 258048324 /nfs/dbraw/zinc/04/83/24/258048324.db2.gz NLLAZJKDOOSQTD-UHFFFAOYSA-N 0 0 343.408 3.647 50 5 EHBARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000137075 135645441 /nfs/dbraw/zinc/64/54/41/135645441.db2.gz ZUGDKYAZNAIREK-UHFFFAOYSA-N 0 0 325.368 3.837 50 5 EHBARN Cc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000008206670 135683028 /nfs/dbraw/zinc/68/30/28/135683028.db2.gz WOTSVUVWIJSCLK-UHFFFAOYSA-N 0 0 339.395 3.758 50 5 EHBARN O=C(NCc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000000468662 563330070 /nfs/dbraw/zinc/33/00/70/563330070.db2.gz YCDDCEIKPJDXNN-UHFFFAOYSA-N 0 0 329.355 3.876 50 5 EHBARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000032837447 563759725 /nfs/dbraw/zinc/75/97/25/563759725.db2.gz CEIQTNGBWSBQOA-DGCLKSJQSA-N 0 0 329.356 3.975 50 5 EHBARN O=c1oc(-c2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc12 ZINC000000360357 563917428 /nfs/dbraw/zinc/91/74/28/563917428.db2.gz IWJFFNXXIUHXOR-UHFFFAOYSA-N 0 0 347.124 3.526 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(OCc2ccn(-c3cccc(F)c3)n2)c1 ZINC000060278819 563920743 /nfs/dbraw/zinc/92/07/43/563920743.db2.gz JTJMHWXMSPAJTR-UHFFFAOYSA-N 0 0 327.315 3.807 50 5 EHBARN O=C1OC(c2ccccc2F)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000013590459 563930603 /nfs/dbraw/zinc/93/06/03/563930603.db2.gz FEGKFHVUSCKSJA-DORXXBADSA-N 0 0 338.294 3.635 50 5 EHBARN O=C(Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])s1 ZINC000000250241 563989495 /nfs/dbraw/zinc/98/94/95/563989495.db2.gz SOWMBTUPGDOLGU-UHFFFAOYSA-N 0 0 327.159 3.671 50 5 EHBARN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1c(C)noc1C ZINC000097095990 563967456 /nfs/dbraw/zinc/96/74/56/563967456.db2.gz VFVARXPTCKJLLC-CYBMUJFWSA-N 0 0 332.360 3.781 50 5 EHBARN Cc1cc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000097163017 563968437 /nfs/dbraw/zinc/96/84/37/563968437.db2.gz RFYOXISTJAWWPL-CQSZACIVSA-N 0 0 333.388 3.517 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1 ZINC000000146704 563987193 /nfs/dbraw/zinc/98/71/93/563987193.db2.gz HZUSOKACLFDLOX-RUDMXATFSA-N 0 0 348.152 3.976 50 5 EHBARN Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000000284816 563990186 /nfs/dbraw/zinc/99/01/86/563990186.db2.gz HHAXOJSXKKSRLX-UHFFFAOYSA-N 0 0 338.407 3.998 50 5 EHBARN CC(C)(C)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000000303555 563990794 /nfs/dbraw/zinc/99/07/94/563990794.db2.gz RCGADAINGJKKPA-UHFFFAOYSA-N 0 0 340.792 3.650 50 5 EHBARN O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1ccccc1Cl ZINC000000310854 563990962 /nfs/dbraw/zinc/99/09/62/563990962.db2.gz BTFFZONDACOYQK-LCYFTJDESA-N 0 0 328.711 3.593 50 5 EHBARN O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000023996820 563991290 /nfs/dbraw/zinc/99/12/90/563991290.db2.gz XEQMMXUEPXERMR-GOSISDBHSA-N 0 0 333.347 3.509 50 5 EHBARN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccc(F)cc2)CC1 ZINC000004980717 563993616 /nfs/dbraw/zinc/99/36/16/563993616.db2.gz DLKZNSGJFAFTEJ-HWKANZROSA-N 0 0 341.386 3.569 50 5 EHBARN Nc1nc(NC2CCCCC2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000005150093 563994667 /nfs/dbraw/zinc/99/46/67/563994667.db2.gz SZJWCSRIYMLRKR-UHFFFAOYSA-N 0 0 346.366 3.594 50 5 EHBARN Cc1cc(C)cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000000433003 563999312 /nfs/dbraw/zinc/99/93/12/563999312.db2.gz LRPUXYYRHKUOOL-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1[N+](=O)[O-] ZINC000000443282 563999537 /nfs/dbraw/zinc/99/95/37/563999537.db2.gz RXFCNMGOYJYZRF-LCYFTJDESA-N 0 0 328.711 3.593 50 5 EHBARN COc1cc(SC)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000457090 563999804 /nfs/dbraw/zinc/99/98/04/563999804.db2.gz ICLPXAQQYCUYKX-UHFFFAOYSA-N 0 0 332.381 3.886 50 5 EHBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncccc1Cl ZINC000179657162 564002527 /nfs/dbraw/zinc/00/25/27/564002527.db2.gz RODOOVIFOHEBJX-SECBINFHSA-N 0 0 337.788 3.763 50 5 EHBARN O=C([C@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005540276 564005138 /nfs/dbraw/zinc/00/51/38/564005138.db2.gz CBNWFPTVXBGBFO-OQXXPCHLSA-N 0 0 327.380 3.820 50 5 EHBARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000474363 564006211 /nfs/dbraw/zinc/00/62/11/564006211.db2.gz JNTPKHQHNGEHCD-SECBINFHSA-N 0 0 338.722 3.793 50 5 EHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc2c(c1)OCO2 ZINC000005678195 564017679 /nfs/dbraw/zinc/01/76/79/564017679.db2.gz RDKXVRQZZGCJOT-RYUDHWBXSA-N 0 0 345.738 3.963 50 5 EHBARN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12 ZINC000005672946 564017863 /nfs/dbraw/zinc/01/78/63/564017863.db2.gz LEXQNKNJYLCIOD-LLVKDONJSA-N 0 0 338.319 3.504 50 5 EHBARN CCOc1ccc(C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000000556499 564022848 /nfs/dbraw/zinc/02/28/48/564022848.db2.gz JDQPFUSVZQWIEU-UHFFFAOYSA-N 0 0 337.335 3.794 50 5 EHBARN C[C@@H]1CCC[C@@H](NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000104724798 564023983 /nfs/dbraw/zinc/02/39/83/564023983.db2.gz NGYPEHIGJOVDMW-NTZNESFSSA-N 0 0 340.807 3.568 50 5 EHBARN C[C@H]1C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000045050499 564028082 /nfs/dbraw/zinc/02/80/82/564028082.db2.gz YTDZCZTXQJSMEP-GJZGRUSLSA-N 0 0 345.443 3.703 50 5 EHBARN Cc1nc(N2CCC[C@H](c3c[nH]c4ncccc34)C2)ccc1[N+](=O)[O-] ZINC000585132662 564052682 /nfs/dbraw/zinc/05/26/82/564052682.db2.gz JYIKSSKFMYFUOO-ZDUSSCGKSA-N 0 0 337.383 3.559 50 5 EHBARN Cc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000025389839 564054287 /nfs/dbraw/zinc/05/42/87/564054287.db2.gz YOWIQTYDMUAWEO-UHFFFAOYSA-N 0 0 333.727 3.596 50 5 EHBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccccc2F)CC1 ZINC000005848507 564056624 /nfs/dbraw/zinc/05/66/24/564056624.db2.gz SLDQTRNVBLWWIQ-UHFFFAOYSA-N 0 0 335.766 3.714 50 5 EHBARN O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005849298 564056655 /nfs/dbraw/zinc/05/66/55/564056655.db2.gz BKCWLFWSACTOCR-UHFFFAOYSA-N 0 0 343.358 3.977 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000012585643 564060163 /nfs/dbraw/zinc/06/01/63/564060163.db2.gz RWVFIIQJWWJHFK-SFHVURJKSA-N 0 0 348.362 3.901 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCc3nc(-c4ccccc4)ncc3C2)cc1 ZINC000004053626 564061683 /nfs/dbraw/zinc/06/16/83/564061683.db2.gz REINOGGQHZMBKR-UHFFFAOYSA-N 0 0 332.363 3.615 50 5 EHBARN O=[N+]([O-])c1c(N2CCC[C@@H]2CCc2ccccc2)nc2ccccn21 ZINC000084528492 564068582 /nfs/dbraw/zinc/06/85/82/564068582.db2.gz WIJWEQNBLWZEOB-MRXNPFEDSA-N 0 0 336.395 3.844 50 5 EHBARN Cc1cnc(N[C@@H](C)c2ccc(-c3cncnc3)cc2)c([N+](=O)[O-])c1 ZINC000075064279 564079863 /nfs/dbraw/zinc/07/98/63/564079863.db2.gz LAAORECGOUQKBM-ZDUSSCGKSA-N 0 0 335.367 3.928 50 5 EHBARN CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000006365091 564085353 /nfs/dbraw/zinc/08/53/53/564085353.db2.gz PCNDZBDKXQZWQF-UHFFFAOYSA-N 0 0 342.351 3.514 50 5 EHBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C3SC(=S)N=C3SC[C@H]1CO2 ZINC000001803100 564087789 /nfs/dbraw/zinc/08/77/89/564087789.db2.gz UMDGOHCADRSKAX-LHLIQPBNSA-N 0 0 338.435 3.586 50 5 EHBARN COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000001893724 564089147 /nfs/dbraw/zinc/08/91/47/564089147.db2.gz CACSYODPGLYMMH-UHFFFAOYSA-N 0 0 335.366 3.527 50 5 EHBARN CSc1ccc(C(=O)NCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000007062881 564104544 /nfs/dbraw/zinc/10/45/44/564104544.db2.gz MSPRTESTXGGCDJ-UHFFFAOYSA-N 0 0 336.800 3.900 50 5 EHBARN CN(C)C(=O)Sc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000065607376 564108218 /nfs/dbraw/zinc/10/82/18/564108218.db2.gz UVEVMPJHMUHSHF-UHFFFAOYSA-N 0 0 345.380 3.621 50 5 EHBARN O=C(/C=C/c1nc2ccccc2s1)OCc1ccc([N+](=O)[O-])cc1 ZINC000007432739 564108487 /nfs/dbraw/zinc/10/84/87/564108487.db2.gz AFDQMWFVXVUQDH-MDZDMXLPSA-N 0 0 340.360 3.961 50 5 EHBARN COc1cccc(C(=O)Nc2ncccc2-c2ccccc2)c1[N+](=O)[O-] ZINC000194813787 564122218 /nfs/dbraw/zinc/12/22/18/564122218.db2.gz PNIOAQIGGCFYLF-UHFFFAOYSA-N 0 0 349.346 3.918 50 5 EHBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cc(C(C)(C)C)[nH]c32)C[C@H](C)O1 ZINC000019735968 564138028 /nfs/dbraw/zinc/13/80/28/564138028.db2.gz ARBMPOWFFSKILU-TXEJJXNPSA-N 0 0 331.416 3.987 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2ccccn2)c2ccncc2)c1 ZINC000095996671 564144291 /nfs/dbraw/zinc/14/42/91/564144291.db2.gz CUZAJLSHSNAQGR-UHFFFAOYSA-N 0 0 348.362 3.540 50 5 EHBARN CN(Cc1cccc(Cl)c1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000096543668 564148827 /nfs/dbraw/zinc/14/88/27/564148827.db2.gz OPSLOZJFXFZBFL-KTKRTIGZSA-N 0 0 330.771 3.920 50 5 EHBARN Cc1cc2ncn(CC(=O)Nc3c(C)cccc3[N+](=O)[O-])c2cc1C ZINC000225561838 564149758 /nfs/dbraw/zinc/14/97/58/564149758.db2.gz RNLAQNZWIYUIKJ-UHFFFAOYSA-N 0 0 338.367 3.508 50 5 EHBARN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(c1ccccc1)c1ccccc1 ZINC000029588729 564153690 /nfs/dbraw/zinc/15/36/90/564153690.db2.gz SEXCMRMHYCUPED-CQSZACIVSA-N 0 0 336.395 3.961 50 5 EHBARN C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 ZINC000058139211 564157748 /nfs/dbraw/zinc/15/77/48/564157748.db2.gz JPNBIRAZGPQEMF-JTQLQIEISA-N 0 0 334.759 3.828 50 5 EHBARN Cc1c2ccccc2nc2c(F)c(N3CCOCC3)c(F)c(F)c12 ZINC000004004355 564159967 /nfs/dbraw/zinc/15/99/67/564159967.db2.gz WZESOCMNFAYFQM-UHFFFAOYSA-N 0 0 332.325 3.950 50 5 EHBARN Cc1ccc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000041107661 564173172 /nfs/dbraw/zinc/17/31/72/564173172.db2.gz WADIKUTZHCXCDK-UHFFFAOYSA-N 0 0 330.300 3.764 50 5 EHBARN C[C@H]1c2ccsc2CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000096920672 1021540571 /nfs/dbraw/zinc/54/05/71/1021540571.db2.gz ZJPNDSREZIJHBU-FJOGCWAESA-N 0 0 328.393 3.815 50 5 EHBARN Cc1ccc(F)cc1NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000055825565 214342965 /nfs/dbraw/zinc/34/29/65/214342965.db2.gz LTUNNLZKFNBACE-UHFFFAOYSA-N 0 0 328.303 3.704 50 5 EHBARN Cc1cc(C)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000004672276 210243064 /nfs/dbraw/zinc/24/30/64/210243064.db2.gz CTEPNYHCQBJRAM-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN Cc1ccc(Nc2cc(N(C)C)c3nonc3c2[N+](=O)[O-])cc1Cl ZINC000004093895 210118862 /nfs/dbraw/zinc/11/88/62/210118862.db2.gz GJJJUFDJARGZTP-UHFFFAOYSA-N 0 0 347.762 3.902 50 5 EHBARN O=[N+]([O-])c1ccc(CCSc2nnc(Cc3cccs3)o2)cc1 ZINC000066261367 215029619 /nfs/dbraw/zinc/02/96/19/215029619.db2.gz MOWHBBPNIVKEOC-UHFFFAOYSA-N 0 0 347.421 3.965 50 5 EHBARN COc1ccc([N+](=O)[O-])c(C(=O)N([C@@H](C)c2ccco2)C2CC2)c1 ZINC000067753678 215203203 /nfs/dbraw/zinc/20/32/03/215203203.db2.gz BHUZAMNHVBLDGD-NSHDSACASA-N 0 0 330.340 3.562 50 5 EHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSc1ccccc1 ZINC000002824644 209923852 /nfs/dbraw/zinc/92/38/52/209923852.db2.gz SGXZROHCICJYDY-DHZHZOJOSA-N 0 0 328.393 3.517 50 5 EHBARN COc1ccccc1-n1c(C)nnc1Sc1ccccc1[N+](=O)[O-] ZINC000040153151 213274263 /nfs/dbraw/zinc/27/42/63/213274263.db2.gz FWZLMIJFWRBEQJ-UHFFFAOYSA-N 0 0 342.380 3.644 50 5 EHBARN O=C(NCc1ncc(-c2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000040123021 213269689 /nfs/dbraw/zinc/26/96/89/213269689.db2.gz UWFHNCSDTPOWOE-UHFFFAOYSA-N 0 0 338.323 3.572 50 5 EHBARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000471736 209622349 /nfs/dbraw/zinc/62/23/49/209622349.db2.gz TUIMRAHSROYUEG-UHFFFAOYSA-N 0 0 347.758 3.849 50 5 EHBARN O=C(/C=C/c1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000460496 209614268 /nfs/dbraw/zinc/61/42/68/209614268.db2.gz JHWLWVNJWBTOPY-FPYGCLRLSA-N 0 0 343.339 3.996 50 5 EHBARN O=C(C1CCCC1)N1CCn2cccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035515999 213035192 /nfs/dbraw/zinc/03/51/92/213035192.db2.gz VPSPNFKRKRECKM-SFHVURJKSA-N 0 0 339.395 3.518 50 5 EHBARN CCCn1cnc2cc(-c3noc(-c4ccc([N+](=O)[O-])o4)n3)ccc21 ZINC000035453635 213028517 /nfs/dbraw/zinc/02/85/17/213028517.db2.gz GPSMEXRFBYAXOG-UHFFFAOYSA-N 0 0 339.311 3.665 50 5 EHBARN CN(C(=O)c1csc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000035222466 213015585 /nfs/dbraw/zinc/01/55/85/213015585.db2.gz WSUJRASCSSIIOV-UHFFFAOYSA-N 0 0 341.186 3.695 50 5 EHBARN CCOc1ccc([C@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000032869723 212860366 /nfs/dbraw/zinc/86/03/66/212860366.db2.gz WCHVGZNHCPBTJZ-LBPRGKRZSA-N 0 0 326.356 3.814 50 5 EHBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1 ZINC000032674553 212825557 /nfs/dbraw/zinc/82/55/57/212825557.db2.gz SHYUAXLVRDYQDM-ZDUSSCGKSA-N 0 0 330.409 3.734 50 5 EHBARN Cc1c(C(=O)Nc2nnc(CC3CCCC3)s2)cccc1[N+](=O)[O-] ZINC000000372856 209557585 /nfs/dbraw/zinc/55/75/85/209557585.db2.gz WEDWLEDXPXNDPS-UHFFFAOYSA-N 0 0 346.412 3.740 50 5 EHBARN CC[C@](C)(NC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000072292581 216127277 /nfs/dbraw/zinc/12/72/77/216127277.db2.gz FLEHAKWGBZBBRQ-HNNXBMFYSA-N 0 0 334.401 3.807 50 5 EHBARN Cc1c(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000029458369 212666785 /nfs/dbraw/zinc/66/67/85/212666785.db2.gz DVPMDEJOSPABNF-ZDUSSCGKSA-N 0 0 339.395 3.831 50 5 EHBARN O=c1c2ccccc2nc2c(-c3nc(-c4ccccc4)no3)cccn12 ZINC000021730400 212246238 /nfs/dbraw/zinc/24/62/38/212246238.db2.gz VYLXGOOOFCGIQK-UHFFFAOYSA-N 0 0 340.342 3.565 50 5 EHBARN O=C(CSc1nnc(-c2cccs2)o1)c1cccc([N+](=O)[O-])c1 ZINC000019809908 212071031 /nfs/dbraw/zinc/07/10/31/212071031.db2.gz DXAPVQZTKKCMAC-UHFFFAOYSA-N 0 0 347.377 3.681 50 5 EHBARN CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000012522975 211397180 /nfs/dbraw/zinc/39/71/80/211397180.db2.gz CFHGSYPPBNOPOS-UHFFFAOYSA-N 0 0 342.398 3.818 50 5 EHBARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000012137446 211301474 /nfs/dbraw/zinc/30/14/74/211301474.db2.gz IEXYDHYURIBKSJ-MRXNPFEDSA-N 0 0 344.367 3.708 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)c(Cl)c1 ZINC000092825910 218173089 /nfs/dbraw/zinc/17/30/89/218173089.db2.gz JTABBCMCNGNZLC-LLVKDONJSA-N 0 0 347.806 3.559 50 5 EHBARN COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1O ZINC000009500008 211093694 /nfs/dbraw/zinc/09/36/94/211093694.db2.gz FYEDWKJQWHJKJD-UHFFFAOYSA-N 0 0 344.348 3.776 50 5 EHBARN CNc1ccc([N+](=O)[O-])cc1-c1nc2cc3ccccc3cc2[nH]c1=O ZINC000008818413 211009128 /nfs/dbraw/zinc/00/91/28/211009128.db2.gz IGROIBONCBWZBG-UHFFFAOYSA-N 0 0 346.346 3.693 50 5 EHBARN COc1cc(CNc2ccc(-c3cnco3)cc2)c([N+](=O)[O-])cc1O ZINC000095428695 218370984 /nfs/dbraw/zinc/37/09/84/218370984.db2.gz GGLVMUDDUMSYIZ-UHFFFAOYSA-N 0 0 341.323 3.576 50 5 EHBARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007136723 210761725 /nfs/dbraw/zinc/76/17/25/210761725.db2.gz FPCDGAGYNOHEHB-UHFFFAOYSA-N 0 0 343.141 3.971 50 5 EHBARN Cc1c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000005749273 210530044 /nfs/dbraw/zinc/53/00/44/210530044.db2.gz PCKROMAFPDOHIC-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000005733289 210527255 /nfs/dbraw/zinc/52/72/55/210527255.db2.gz UABQQUDUUUKMGB-XNTDXEJSSA-N 0 0 340.360 3.831 50 5 EHBARN Cc1cc2ncn(C(=O)c3cc([N+](=O)[O-])ccc3Cl)c2cc1C ZINC000005094163 210387678 /nfs/dbraw/zinc/38/76/78/210387678.db2.gz HKMLRISOJASRIU-UHFFFAOYSA-N 0 0 329.743 3.903 50 5 EHBARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005005631 210359409 /nfs/dbraw/zinc/35/94/09/210359409.db2.gz WWLBIDLAESIGEC-UHFFFAOYSA-N 0 0 339.666 3.548 50 5 EHBARN O=C(Nc1ccc(F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004983423 210347645 /nfs/dbraw/zinc/34/76/45/210347645.db2.gz QLFOSFZWIIXMKK-UHFFFAOYSA-N 0 0 329.331 3.586 50 5 EHBARN CN(C)c1cc(Nc2ccccc2Cl)c([N+](=O)[O-])c2nonc21 ZINC000004954968 210339241 /nfs/dbraw/zinc/33/92/41/210339241.db2.gz DQWJYWHUGJZULH-UHFFFAOYSA-N 0 0 333.735 3.594 50 5 EHBARN Cc1cc(Br)ccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000038495 208554610 /nfs/dbraw/zinc/55/46/10/208554610.db2.gz YERXBYGQXDVGQM-UHFFFAOYSA-N 0 0 336.141 3.885 50 5 EHBARN CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000004870963 210310223 /nfs/dbraw/zinc/31/02/23/210310223.db2.gz WBFCVPUDBWIUCC-MRXNPFEDSA-N 0 0 338.367 3.742 50 5 EHBARN Cc1nc(NCc2ccccc2)c([N+](=O)[O-])c(NCc2ccccc2)n1 ZINC000004897747 210315637 /nfs/dbraw/zinc/31/56/37/210315637.db2.gz GOMDXRLACFBTJN-UHFFFAOYSA-N 0 0 349.394 3.917 50 5 EHBARN CNC(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000004870290 210309301 /nfs/dbraw/zinc/30/93/01/210309301.db2.gz MSQMYXGRIXLZBA-UHFFFAOYSA-N 0 0 340.257 3.766 50 5 EHBARN O=C(Nc1ccc2ncsc2c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000170792979 257955095 /nfs/dbraw/zinc/95/50/95/257955095.db2.gz HLASZYJYKFPMCW-UHFFFAOYSA-N 0 0 335.291 3.735 50 5 EHBARN COc1ccccc1-c1noc(CNc2cc([N+](=O)[O-])ccc2C)n1 ZINC000009368098 258054080 /nfs/dbraw/zinc/05/40/80/258054080.db2.gz KQBKJHUIWAFQDG-UHFFFAOYSA-N 0 0 340.339 3.574 50 5 EHBARN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000012880728 258055691 /nfs/dbraw/zinc/05/56/91/258055691.db2.gz SGMNPCJRNPJQMF-LBPRGKRZSA-N 0 0 340.335 3.597 50 5 EHBARN Cc1nc(CN2CCC(CNc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000071894593 258064119 /nfs/dbraw/zinc/06/41/19/258064119.db2.gz SSLHOCOKRSPVIG-UHFFFAOYSA-N 0 0 344.415 3.524 50 5 EHBARN Cc1ccc(C)c(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000055292292 132194907 /nfs/dbraw/zinc/19/49/07/132194907.db2.gz YXVNDNAUNNSTOX-UHFFFAOYSA-N 0 0 325.412 3.534 50 5 EHBARN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000071882912 563377406 /nfs/dbraw/zinc/37/74/06/563377406.db2.gz QJHJJUUKDVJZIA-JTQLQIEISA-N 0 0 333.413 3.840 50 5 EHBARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000032837442 563759749 /nfs/dbraw/zinc/75/97/49/563759749.db2.gz SFMKUKAMQPUELA-NHYWBVRUSA-N 0 0 329.356 3.975 50 5 EHBARN O=C1S/C(=C/c2ccsc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000004549270 563762017 /nfs/dbraw/zinc/76/20/17/563762017.db2.gz HYAGRUQQCBWRHQ-NTUHNPAUSA-N 0 0 346.389 3.893 50 5 EHBARN CC[C@@](C)(CCCNc1ccc(F)cc1[N+](=O)[O-])C1OCCO1 ZINC000072307584 563915886 /nfs/dbraw/zinc/91/58/86/563915886.db2.gz FLBUGTNFAQXVAH-INIZCTEOSA-N 0 0 326.368 3.715 50 5 EHBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)CC1(Br)Br ZINC000000037908 563967478 /nfs/dbraw/zinc/96/74/78/563967478.db2.gz ZQQPIDLGDLMCEU-SECBINFHSA-N 0 0 334.995 3.742 50 5 EHBARN Cc1cc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097142434 563968205 /nfs/dbraw/zinc/96/82/05/563968205.db2.gz GJJUBUVFUYTLKI-VXGBXAGGSA-N 0 0 343.383 3.594 50 5 EHBARN Cc1ccccc1-c1nc(CNc2ccc([N+](=O)[O-])cc2F)no1 ZINC000097163731 563968457 /nfs/dbraw/zinc/96/84/57/563968457.db2.gz IYBXRTZHLXORAJ-UHFFFAOYSA-N 0 0 328.303 3.704 50 5 EHBARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000070720 563973733 /nfs/dbraw/zinc/97/37/33/563973733.db2.gz VTRDZEXWTGNKHR-ZROIWOOFSA-N 0 0 328.711 3.593 50 5 EHBARN CCOC(=O)CSc1cc(-n2cccc2)c(Cl)cc1[N+](=O)[O-] ZINC000000083669 563974644 /nfs/dbraw/zinc/97/46/44/563974644.db2.gz JQKFGEPVGYDYKK-UHFFFAOYSA-N 0 0 340.788 3.694 50 5 EHBARN CC(=O)c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000000091043 563976492 /nfs/dbraw/zinc/97/64/92/563976492.db2.gz PIJGWRHAOOTLBB-UHFFFAOYSA-N 0 0 330.365 3.528 50 5 EHBARN Cc1nn(C)c(C(=O)Sc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000000121081 563986778 /nfs/dbraw/zinc/98/67/78/563986778.db2.gz ZVQAQAXMAHYCHM-UHFFFAOYSA-N 0 0 345.302 3.588 50 5 EHBARN Cc1c([N+](=O)[O-])c(C(=O)Sc2cccc(Cl)c2Cl)nn1C ZINC000000122936 563986793 /nfs/dbraw/zinc/98/67/93/563986793.db2.gz QYTPMLKZRJJTGY-UHFFFAOYSA-N 0 0 346.195 3.876 50 5 EHBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cccc(F)c1 ZINC000000176290 563987565 /nfs/dbraw/zinc/98/75/65/563987565.db2.gz CDJFJQBEPIFAOQ-NTUHNPAUSA-N 0 0 346.701 3.732 50 5 EHBARN Cc1cccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c1 ZINC000000176761 563987710 /nfs/dbraw/zinc/98/77/10/563987710.db2.gz ZOVHSWAGHFMKTE-NVNXTCNLSA-N 0 0 342.738 3.901 50 5 EHBARN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccccc1F ZINC000000178438 563987760 /nfs/dbraw/zinc/98/77/60/563987760.db2.gz BNINWOXLRZDJNA-AUWJEWJLSA-N 0 0 346.701 3.732 50 5 EHBARN CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000183643 563987869 /nfs/dbraw/zinc/98/78/69/563987869.db2.gz XOHVEYTZWQLANN-UHFFFAOYSA-N 0 0 348.742 3.677 50 5 EHBARN O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000023865854 563990203 /nfs/dbraw/zinc/99/02/03/563990203.db2.gz ATPJREVVCMRNFW-GFCCVEGCSA-N 0 0 340.408 3.984 50 5 EHBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000000305898 563990772 /nfs/dbraw/zinc/99/07/72/563990772.db2.gz VVSNYUCKUNQZEE-JTQLQIEISA-N 0 0 349.184 3.848 50 5 EHBARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCC1 ZINC000000358354 563991621 /nfs/dbraw/zinc/99/16/21/563991621.db2.gz CTPTXPKQTAZEBV-PKNBQFBNSA-N 0 0 326.352 3.881 50 5 EHBARN CC(C)CN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000000437693 563999353 /nfs/dbraw/zinc/99/93/53/563999353.db2.gz LBXSHEKULONEGF-UHFFFAOYSA-N 0 0 340.335 3.639 50 5 EHBARN O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Br ZINC000000444338 563999587 /nfs/dbraw/zinc/99/95/87/563999587.db2.gz QMGCNIWMPOQLFP-UHFFFAOYSA-N 0 0 339.120 3.749 50 5 EHBARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005190396 564000065 /nfs/dbraw/zinc/00/00/65/564000065.db2.gz FPAXFSDYTHWSQR-KRWDZBQOSA-N 0 0 344.392 3.772 50 5 EHBARN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000000462050 564000717 /nfs/dbraw/zinc/00/07/17/564000717.db2.gz SPBPGDKFLFKUFG-UHFFFAOYSA-N 0 0 328.393 3.982 50 5 EHBARN CC(=O)[C@H](C)Oc1cc(O)c2c(c1)oc1ccc(Cl)cc1c2=O ZINC000005346087 564002922 /nfs/dbraw/zinc/00/29/22/564002922.db2.gz FYCPSXOSVUVELP-VIFPVBQESA-N 0 0 332.739 3.662 50 5 EHBARN Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000000474360 564006184 /nfs/dbraw/zinc/00/61/84/564006184.db2.gz HSIZVWACQZCQAF-UHFFFAOYSA-N 0 0 349.184 3.847 50 5 aggregator EHBARN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000005699694 564019350 /nfs/dbraw/zinc/01/93/50/564019350.db2.gz PXIBHEWRPATPPW-UHFFFAOYSA-N 0 0 340.257 3.875 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2cnco2)c1 ZINC000048205377 564030065 /nfs/dbraw/zinc/03/00/65/564030065.db2.gz JAEDHFMVKFXRAL-BQYQJAHWSA-N 0 0 335.319 3.902 50 5 EHBARN O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000113016043 564032456 /nfs/dbraw/zinc/03/24/56/564032456.db2.gz AYYJKDQBPKCVRK-UHFFFAOYSA-N 0 0 341.298 3.570 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2)cs1 ZINC000000860390 564051025 /nfs/dbraw/zinc/05/10/25/564051025.db2.gz WJSNREMUFAPQTD-UHFFFAOYSA-N 0 0 339.376 3.900 50 5 EHBARN O=C(Nc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000001385552 564064181 /nfs/dbraw/zinc/06/41/81/564064181.db2.gz BMCLEPWYCDUTHD-UHFFFAOYSA-N 0 0 325.349 3.971 50 5 EHBARN COc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004183010 564065155 /nfs/dbraw/zinc/06/51/55/564065155.db2.gz AVOWMAJEQHRUNZ-UHFFFAOYSA-N 0 0 340.379 3.825 50 5 EHBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1 ZINC000006061636 564073309 /nfs/dbraw/zinc/07/33/09/564073309.db2.gz BKWDZRVPZIDYLJ-UHFFFAOYSA-N 0 0 340.257 3.631 50 5 EHBARN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006267997 564083399 /nfs/dbraw/zinc/08/33/99/564083399.db2.gz MHAUXNDMTSWGID-UHFFFAOYSA-N 0 0 334.759 3.529 50 5 EHBARN O=C(NCCc1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000006322017 564084808 /nfs/dbraw/zinc/08/48/08/564084808.db2.gz OENLDUCUPWAHFD-UHFFFAOYSA-N 0 0 334.759 3.717 50 5 EHBARN O=[N+]([O-])c1ccc2c(c1)[C@H]1C3SC(=S)N=C3SC[C@@H]1CO2 ZINC000001803104 564087787 /nfs/dbraw/zinc/08/77/87/564087787.db2.gz UMDGOHCADRSKAX-WKEGUHRASA-N 0 0 338.435 3.586 50 5 EHBARN Cc1cc(F)cc(C(=O)Nc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000089587362 564093010 /nfs/dbraw/zinc/09/30/10/564093010.db2.gz BZLLLNOIRWHNLX-UHFFFAOYSA-N 0 0 340.257 3.896 50 5 EHBARN Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000006613994 564094526 /nfs/dbraw/zinc/09/45/26/564094526.db2.gz IPEDUHFQXUMDRA-UHFFFAOYSA-N 0 0 325.368 3.756 50 5 EHBARN Cc1c(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000065357523 564105456 /nfs/dbraw/zinc/10/54/56/564105456.db2.gz YTZRATORDFGIPF-ZFWWWQNUSA-N 0 0 329.331 3.720 50 5 EHBARN Cc1ccc([C@H](C)Nc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000170592772 564108895 /nfs/dbraw/zinc/10/88/95/564108895.db2.gz DEBXNEBCPVFXPL-ZAMGYDSWSA-N 0 0 332.425 3.955 50 5 EHBARN O=C(NCc1ccsc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000240912268 564121803 /nfs/dbraw/zinc/12/18/03/564121803.db2.gz IWZPFZHEFHYOKL-UHFFFAOYSA-N 0 0 339.376 3.648 50 5 EHBARN O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000373886533 564122062 /nfs/dbraw/zinc/12/20/62/564122062.db2.gz DIDYMEQBLVKANM-JOCQHMNTSA-N 0 0 330.771 3.924 50 5 EHBARN Cc1cnc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3C)C2)s1 ZINC000241588283 564123151 /nfs/dbraw/zinc/12/31/51/564123151.db2.gz PBQNDJBXIAJDGS-CYBMUJFWSA-N 0 0 345.424 3.688 50 5 EHBARN COCCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000002865292 564152842 /nfs/dbraw/zinc/15/28/42/564152842.db2.gz VNAMZWQUFCLSGC-UHFFFAOYSA-N 0 0 346.408 3.894 50 5 EHBARN COc1cc(C=O)ccc1OCCCCOc1ccccc1[N+](=O)[O-] ZINC000002984828 564154137 /nfs/dbraw/zinc/15/41/37/564154137.db2.gz XPXRJGQKJIBJEJ-UHFFFAOYSA-N 0 0 345.351 3.654 50 5 EHBARN O=C1OCCN1Cc1cccc(Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000058157451 564157808 /nfs/dbraw/zinc/15/78/08/564157808.db2.gz UZWHQTDKTLKPDE-UHFFFAOYSA-N 0 0 347.758 3.944 50 5 EHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CCOc2ccccc21 ZINC000172049799 564166609 /nfs/dbraw/zinc/16/66/09/564166609.db2.gz BOUPJXMJVPCLED-CQSZACIVSA-N 0 0 340.379 3.510 50 5 EHBARN CS[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1 ZINC000172369881 564167537 /nfs/dbraw/zinc/16/75/37/564167537.db2.gz XRLONPXWDGKNAC-CQSZACIVSA-N 0 0 338.335 3.916 50 5 EHBARN C[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000245227228 564168739 /nfs/dbraw/zinc/16/87/39/564168739.db2.gz HBLSRPRAUIYMFC-XHBSWPGZSA-N 0 0 347.371 3.686 50 5 EHBARN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2)cc1SC ZINC000069537427 564170367 /nfs/dbraw/zinc/17/03/67/564170367.db2.gz AEYHVCIMSUIALC-UHFFFAOYSA-N 0 0 332.381 3.886 50 5 EHBARN O=C(c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1)N1CCCC1 ZINC000069622942 564170977 /nfs/dbraw/zinc/17/09/77/564170977.db2.gz FJDAQRIFRULIEV-UHFFFAOYSA-N 0 0 330.315 3.762 50 5 EHBARN CC(=O)c1ccc(Oc2cncc(Br)c2)c([N+](=O)[O-])c1 ZINC000070486935 564173997 /nfs/dbraw/zinc/17/39/97/564173997.db2.gz IWSQSDSDUGYPNH-UHFFFAOYSA-N 0 0 337.129 3.747 50 5 EHBARN Cc1c(C(=O)N2CCC(Oc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000055763124 214341244 /nfs/dbraw/zinc/34/12/44/214341244.db2.gz VXLJCCLRSNTZCQ-UHFFFAOYSA-N 0 0 340.379 3.587 50 5 EHBARN Cc1ccc(/C=C2/N=C(/C=C\c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000004590085 210229294 /nfs/dbraw/zinc/22/92/94/210229294.db2.gz OBGQQIBELOGHQQ-BOCOQIOWSA-N 0 0 334.331 3.913 50 5 EHBARN CCn1c2c(cccc2F)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000100909191 219110705 /nfs/dbraw/zinc/11/07/05/219110705.db2.gz QNPVDXRVXITZCB-VLGSPTGOSA-N 0 0 345.355 3.511 50 5 EHBARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000004330202 210172869 /nfs/dbraw/zinc/17/28/69/210172869.db2.gz XGLLVMSGEAJGSJ-UHFFFAOYSA-N 0 0 344.714 3.551 50 5 EHBARN CCCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000004195766 210144355 /nfs/dbraw/zinc/14/43/55/210144355.db2.gz SGCDQLXJGHOVDP-UHFFFAOYSA-N 0 0 341.367 3.894 50 5 EHBARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004109300 210122283 /nfs/dbraw/zinc/12/22/83/210122283.db2.gz VOXUPMNDPYEYFT-UHFFFAOYSA-N 0 0 337.118 3.702 50 5 EHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1F ZINC000003902725 210088709 /nfs/dbraw/zinc/08/87/09/210088709.db2.gz HRGQMQVNCIJPFD-UHFFFAOYSA-N 0 0 346.361 3.933 50 5 EHBARN Cc1c(NC(=O)N(C)Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000043347084 213577905 /nfs/dbraw/zinc/57/79/05/213577905.db2.gz UQGIWWSJYGVJHX-UHFFFAOYSA-N 0 0 335.310 3.845 50 5 EHBARN Cc1ccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000003086053 209961910 /nfs/dbraw/zinc/96/19/10/209961910.db2.gz GZXPUQGCZVZJBZ-UHFFFAOYSA-N 0 0 334.263 3.595 50 5 EHBARN O=C(OCc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000002881010 209934523 /nfs/dbraw/zinc/93/45/23/209934523.db2.gz UYRWIMBUJDXIRQ-UHFFFAOYSA-N 0 0 336.141 3.714 50 5 EHBARN COc1ccc([C@@H](C)C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000069367797 215389210 /nfs/dbraw/zinc/38/92/10/215389210.db2.gz XJHJPBICPVFRRT-ZIAGYGMSSA-N 0 0 342.395 3.927 50 5 EHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000000466817 209618154 /nfs/dbraw/zinc/61/81/54/209618154.db2.gz MZRIDPTXMAJBBI-UHFFFAOYSA-N 0 0 336.141 3.714 50 5 EHBARN Cc1cccc(C(=O)Nc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000000463070 209617045 /nfs/dbraw/zinc/61/70/45/209617045.db2.gz VOCYXSIYGHIKGY-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Oc1cccc[n+]1[O-] ZINC000071797360 215834066 /nfs/dbraw/zinc/83/40/66/215834066.db2.gz VPTXSGCCRJWZCJ-UHFFFAOYSA-N 0 0 334.637 3.693 50 5 EHBARN Cc1nccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)n1 ZINC000031801208 212749014 /nfs/dbraw/zinc/74/90/14/212749014.db2.gz AEZMOYLJNGFTJR-UHFFFAOYSA-N 0 0 348.362 3.921 50 5 EHBARN O=[N+]([O-])c1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cs1 ZINC000072287164 216119309 /nfs/dbraw/zinc/11/93/09/216119309.db2.gz SJKWZIOOSZXFIF-UHFFFAOYSA-N 0 0 348.268 3.973 50 5 EHBARN Cc1ccc(-c2nc(COc3cccnc3[N+](=O)[O-])co2)c(C)c1 ZINC000023006372 212342127 /nfs/dbraw/zinc/34/21/27/212342127.db2.gz GODZWAJQYMEQAG-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN CCCNc1ccc(-c2noc(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000020894371 212183584 /nfs/dbraw/zinc/18/35/84/212183584.db2.gz POKCFOMWZNUVIR-UHFFFAOYSA-N 0 0 325.328 3.529 50 5 EHBARN Cc1c(NC(=O)c2cccc3c2SCCC3=O)cccc1[N+](=O)[O-] ZINC000020489192 212138760 /nfs/dbraw/zinc/13/87/60/212138760.db2.gz VETJRPUOFWKMSA-UHFFFAOYSA-N 0 0 342.376 3.834 50 5 EHBARN Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000078578993 217079172 /nfs/dbraw/zinc/07/91/72/217079172.db2.gz VQUYIXKAJAMSKA-SHQCLWGWSA-N 0 0 340.379 3.500 50 5 EHBARN C[C@H](Sc1nnnn1-c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000015521442 211829645 /nfs/dbraw/zinc/82/96/45/211829645.db2.gz ZPCVIEJUXBSGDR-JTQLQIEISA-N 0 0 345.359 3.563 50 5 EHBARN O=[N+]([O-])c1cccc(C2=Nn3cc(-c4ccccc4)nc3SC2)c1 ZINC000009365346 211075654 /nfs/dbraw/zinc/07/56/54/211075654.db2.gz QWIHZONYBYIPRY-UHFFFAOYSA-N 0 0 336.376 3.816 50 5 EHBARN COc1ccc(OCc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000007441829 210801461 /nfs/dbraw/zinc/80/14/61/210801461.db2.gz BPILXMCYLUKXFJ-UHFFFAOYSA-N 0 0 326.308 3.837 50 5 EHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cccs1 ZINC000006747045 210699058 /nfs/dbraw/zinc/69/90/58/210699058.db2.gz WNUDCSRWJPENSH-UHFFFAOYSA-N 0 0 348.427 3.533 50 5 EHBARN CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)n1 ZINC000005054768 210377112 /nfs/dbraw/zinc/37/71/12/210377112.db2.gz ADZCCJXQWVQBGU-QMMMGPOBSA-N 0 0 336.783 3.574 50 5 EHBARN Cc1ccc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000005065638 210382300 /nfs/dbraw/zinc/38/23/00/210382300.db2.gz OZQNHXJVQAARHT-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN CNc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000004903083 210317198 /nfs/dbraw/zinc/31/71/98/210317198.db2.gz WPLFUIDZDQKKCR-UHFFFAOYSA-N 0 0 339.273 3.908 50 5 EHBARN Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c(C)c1[N+](=O)[O-] ZINC000004859409 210303752 /nfs/dbraw/zinc/30/37/52/210303752.db2.gz ZWMZYRXNEHCIQR-UHFFFAOYSA-N 0 0 342.380 3.656 50 5 EHBARN Cc1ccc(SCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000004857949 210303792 /nfs/dbraw/zinc/30/37/92/210303792.db2.gz GBOYZLUWSTYECS-UHFFFAOYSA-N 0 0 330.409 3.734 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cn1)Nc1cccc(Cl)c1Cl ZINC000004774062 210275573 /nfs/dbraw/zinc/27/55/73/210275573.db2.gz UKHXJKROJMGIKV-UHFFFAOYSA-N 0 0 327.127 3.941 50 5 EHBARN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000408514911 257984188 /nfs/dbraw/zinc/98/41/88/257984188.db2.gz VJVIGZYZEOCEMG-UHFFFAOYSA-N 0 0 341.298 3.828 50 5 EHBARN Cc1nn2c(=O)c3c4c(sc3nc2c2ccccc12)C[C@@H](C)CC4 ZINC000001017593 563368660 /nfs/dbraw/zinc/36/86/60/563368660.db2.gz LRWQJHLFJIAUFX-JTQLQIEISA-N 0 0 335.432 3.891 50 5 EHBARN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000071882911 563377438 /nfs/dbraw/zinc/37/74/38/563377438.db2.gz OLDNZWPSZMJTGN-LLVKDONJSA-N 0 0 347.440 3.769 50 5 EHBARN C[S@](=O)Cc1cc(NCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000097371119 563595657 /nfs/dbraw/zinc/59/56/57/563595657.db2.gz KYPPDOLTMQWMKY-JOCHJYFZSA-N 0 0 338.816 3.739 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(F)c1 ZINC000032923299 563824799 /nfs/dbraw/zinc/82/47/99/563824799.db2.gz DBNHITGHRHNSHZ-OAHLLOKOSA-N 0 0 344.342 3.847 50 5 EHBARN Cc1ccc([C@H](C)NCc2nnc(-c3cccs3)o2)cc1[N+](=O)[O-] ZINC000096492394 563955714 /nfs/dbraw/zinc/95/57/14/563955714.db2.gz IEPYFJDBRVMTMS-NSHDSACASA-N 0 0 344.396 3.866 50 5 EHBARN Cc1ccc(NC(=O)Cn2ncc3c2cccc3[N+](=O)[O-])cc1Cl ZINC000097165733 563968520 /nfs/dbraw/zinc/96/85/20/563968520.db2.gz PZQJLAQVDSODQG-UHFFFAOYSA-N 0 0 344.758 3.545 50 5 EHBARN COc1ccc(COC(=O)c2cc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000060679948 563973155 /nfs/dbraw/zinc/97/31/55/563973155.db2.gz KGZZWEVGWKVTCI-UHFFFAOYSA-N 0 0 333.365 3.511 50 5 EHBARN COC(=O)c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000000078123 563974560 /nfs/dbraw/zinc/97/45/60/563974560.db2.gz XFBNWPCKOXSHKN-UHFFFAOYSA-N 0 0 330.321 3.674 50 5 EHBARN CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000102998 563982162 /nfs/dbraw/zinc/98/21/62/563982162.db2.gz IQRROJKBHPSQBK-UHFFFAOYSA-N 0 0 348.742 3.677 50 5 EHBARN CCOc1ccccc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000014241624 563983642 /nfs/dbraw/zinc/98/36/42/563983642.db2.gz NECGZKMNVWGMDB-UHFFFAOYSA-N 0 0 332.381 3.968 50 5 EHBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000024239281 563998429 /nfs/dbraw/zinc/99/84/29/563998429.db2.gz GUTJONVEXOXVQF-UHFFFAOYSA-N 0 0 336.351 3.666 50 5 EHBARN CCOc1cc(OCC)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000447358 563999557 /nfs/dbraw/zinc/99/95/57/563999557.db2.gz JICWFPODDFRXBQ-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN COc1cc(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000005320469 564002542 /nfs/dbraw/zinc/00/25/42/564002542.db2.gz WUZJHSXONYYPFY-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCO2 ZINC000005678199 564017665 /nfs/dbraw/zinc/01/76/65/564017665.db2.gz RDKXVRQZZGCJOT-NWDGAFQWSA-N 0 0 345.738 3.963 50 5 EHBARN CCOC(=O)c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000609751 564027131 /nfs/dbraw/zinc/02/71/31/564027131.db2.gz CKXFPLLKNWVWEZ-UHFFFAOYSA-N 0 0 345.380 3.580 50 5 EHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)c1nccc(C(F)(F)F)n1 ZINC000045025372 564028076 /nfs/dbraw/zinc/02/80/76/564028076.db2.gz KKXUPNMURFJRHC-VIFPVBQESA-N 0 0 326.278 3.601 50 5 EHBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc21 ZINC000005843518 564056602 /nfs/dbraw/zinc/05/66/02/564056602.db2.gz GCEJQUIKNXSOHS-LLVKDONJSA-N 0 0 345.786 3.638 50 5 EHBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1Cl ZINC000005869678 564056760 /nfs/dbraw/zinc/05/67/60/564056760.db2.gz USBJVIJYLNJACW-VIFPVBQESA-N 0 0 338.722 3.793 50 5 EHBARN CCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005977772 564057376 /nfs/dbraw/zinc/05/73/76/564057376.db2.gz FLHMRYNZDQOBMG-UHFFFAOYSA-N 0 0 347.758 3.849 50 5 EHBARN O=C(NCc1ccncc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000012558156 564059365 /nfs/dbraw/zinc/05/93/65/564059365.db2.gz SGWYOXVRYQJCJO-UHFFFAOYSA-N 0 0 348.362 3.663 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(F)c1 ZINC000084583289 564068814 /nfs/dbraw/zinc/06/88/14/564068814.db2.gz FBAJYGCTRDWLRJ-GFCCVEGCSA-N 0 0 340.358 3.994 50 5 EHBARN C[C@@H](NC(=O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000012856193 564075486 /nfs/dbraw/zinc/07/54/86/564075486.db2.gz IJBORVNMSYILKW-OLZOCXBDSA-N 0 0 347.440 3.527 50 5 EHBARN CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC000012856619 564075538 /nfs/dbraw/zinc/07/55/38/564075538.db2.gz NTGFXOJAJZQJCK-UHFFFAOYSA-N 0 0 348.380 3.702 50 5 EHBARN O=c1cc(-c2ccccc2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000016399732 564084775 /nfs/dbraw/zinc/08/47/75/564084775.db2.gz GGKRNYBSTXRTTB-UHFFFAOYSA-N 0 0 339.376 3.637 50 5 EHBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2)c(Cl)c1 ZINC000006626426 564094683 /nfs/dbraw/zinc/09/46/83/564094683.db2.gz CCEGZYXRSVUTDO-UHFFFAOYSA-N 0 0 348.163 3.669 50 5 EHBARN Cc1c(C(=O)Nc2nc(-c3ccccn3)cs2)cccc1[N+](=O)[O-] ZINC000006969758 564102476 /nfs/dbraw/zinc/10/24/76/564102476.db2.gz AYURLKWPQUVABP-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN O=[N+]([O-])c1ccc(F)cc1OCc1cc(Cl)c2c(c1)OCCO2 ZINC000007005452 564102955 /nfs/dbraw/zinc/10/29/55/564102955.db2.gz QQQUKSAMFIQAMY-UHFFFAOYSA-N 0 0 339.706 3.738 50 5 EHBARN O=c1c2ccccc2[nH]c2ccc(Oc3ncccc3[N+](=O)[O-])cc21 ZINC000007139538 564105449 /nfs/dbraw/zinc/10/54/49/564105449.db2.gz GYYNHXDUTBXLMI-UHFFFAOYSA-N 0 0 333.303 3.777 50 5 EHBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000007344404 564107270 /nfs/dbraw/zinc/10/72/70/564107270.db2.gz QDAATXVYNHIZCA-UHFFFAOYSA-N 0 0 342.399 3.786 50 5 EHBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CSC)cc2)c1 ZINC000065624036 564108514 /nfs/dbraw/zinc/10/85/14/564108514.db2.gz UUUCSKDJACLHDN-UHFFFAOYSA-N 0 0 332.381 3.719 50 5 EHBARN O=C(c1ccc(Oc2c(F)cc([N+](=O)[O-])cc2F)cc1)N1CCCC1 ZINC000301797294 564134402 /nfs/dbraw/zinc/13/44/02/564134402.db2.gz QVQRTTUEBDEJEN-UHFFFAOYSA-N 0 0 348.305 3.901 50 5 EHBARN CC(C)(C)c1nnc2sc(/C=C/c3ccc([N+](=O)[O-])cc3)nn21 ZINC000012843558 564135639 /nfs/dbraw/zinc/13/56/39/564135639.db2.gz QXZAPNINJBQFFU-RMKNXTFCSA-N 0 0 329.385 3.562 50 5 EHBARN CC(C)C(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000079112556 564137976 /nfs/dbraw/zinc/13/79/76/564137976.db2.gz AJUPKCKDKYXXGG-GOSISDBHSA-N 0 0 337.379 3.929 50 5 EHBARN CC[C@@H](c1ccncc1)N(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000096416819 564147844 /nfs/dbraw/zinc/14/78/44/564147844.db2.gz NRPXTHBSTCGOMR-KRWDZBQOSA-N 0 0 327.384 3.532 50 5 EHBARN CC(C)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002870821 564152886 /nfs/dbraw/zinc/15/28/86/564152886.db2.gz OVRCVHAPRYMYGX-UHFFFAOYSA-N 0 0 343.339 3.554 50 5 EHBARN Cc1c(C(=S)Nc2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000008691212 564166353 /nfs/dbraw/zinc/16/63/53/564166353.db2.gz WJZSZJIZXZCFJJ-UHFFFAOYSA-N 0 0 338.392 3.877 50 5 EHBARN O=[N+]([O-])c1ccc2c(c1)nc(CN1CCCC1)n2-c1ccc(F)cc1 ZINC000008706509 564166511 /nfs/dbraw/zinc/16/65/11/564166511.db2.gz OUIZIHBTFYWKQO-UHFFFAOYSA-N 0 0 340.358 3.669 50 5 EHBARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000069421289 564169417 /nfs/dbraw/zinc/16/94/17/564169417.db2.gz JDBJMCYFICEDQB-LLVKDONJSA-N 0 0 332.331 3.576 50 5 EHBARN Cc1csc(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000069741107 564171900 /nfs/dbraw/zinc/17/19/00/564171900.db2.gz KKVUACKMFHXVNU-UHFFFAOYSA-N 0 0 345.424 3.688 50 5 EHBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)F ZINC000033326437 1123789956 /nfs/dbraw/zinc/78/99/56/1123789956.db2.gz FXUPNLYWUYYJRY-HJWRWDBZSA-N 0 0 334.278 3.848 50 5 EHBARN CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000002828579 1129838786 /nfs/dbraw/zinc/83/87/86/1129838786.db2.gz PYKOFSIKVTWSHZ-UHFFFAOYSA-N 0 0 341.367 3.976 50 5 EHBARN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccsc1 ZINC000052803214 214147446 /nfs/dbraw/zinc/14/74/46/214147446.db2.gz UGWVAISODHQJIW-BLLLJJGKSA-N 0 0 345.424 3.820 50 5 EHBARN CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1[N+](=O)[O-] ZINC000053943991 214206697 /nfs/dbraw/zinc/20/66/97/214206697.db2.gz NLZNQLOLJADSAI-UHFFFAOYSA-N 0 0 337.335 3.659 50 5 EHBARN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C)n1C(C)C ZINC000054758436 214253534 /nfs/dbraw/zinc/25/35/34/214253534.db2.gz SDHYSWABYYZFJY-UHFFFAOYSA-N 0 0 327.384 3.797 50 5 EHBARN COc1ccc(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000004699070 210251821 /nfs/dbraw/zinc/25/18/21/210251821.db2.gz QOBGFYXZKDTNFN-UHFFFAOYSA-N 0 0 328.368 3.873 50 5 EHBARN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000055008405 214264144 /nfs/dbraw/zinc/26/41/44/214264144.db2.gz MXKXTQFEXOGYHP-AWEZNQCLSA-N 0 0 346.408 3.789 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2ccccc2)CC1 ZINC000055543492 214328211 /nfs/dbraw/zinc/32/82/11/214328211.db2.gz CZWJDYLLKSPBKX-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN CC[C@@H](C)NC(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004660533 210239937 /nfs/dbraw/zinc/23/99/37/210239937.db2.gz XQWMVQSGFANEMD-CYBMUJFWSA-N 0 0 339.395 3.817 50 5 EHBARN O=C(Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])cc2c[nH]nc21 ZINC000004625131 210233906 /nfs/dbraw/zinc/23/39/06/210233906.db2.gz BNOHVHKWQPRHJJ-UHFFFAOYSA-N 0 0 334.694 3.516 50 5 EHBARN Cc1cc(N[C@@H]2COc3ccccc32)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058544989 214594610 /nfs/dbraw/zinc/59/46/10/214594610.db2.gz XMESHXWBDUJKIW-MRXNPFEDSA-N 0 0 348.362 3.906 50 5 EHBARN Cc1cc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000004594735 210228633 /nfs/dbraw/zinc/22/86/33/210228633.db2.gz SSUSNGSBZONHCG-UHFFFAOYSA-N 0 0 334.397 3.629 50 5 EHBARN Cc1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000060015003 214626629 /nfs/dbraw/zinc/62/66/29/214626629.db2.gz IWWYROVKUNGMKI-HNNXBMFYSA-N 0 0 330.771 3.974 50 5 EHBARN CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100909420 219111098 /nfs/dbraw/zinc/11/10/98/219111098.db2.gz YRNJZRWHLAFKQY-VLGSPTGOSA-N 0 0 345.355 3.511 50 5 EHBARN Cc1cc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000004148344 210132204 /nfs/dbraw/zinc/13/22/04/210132204.db2.gz XCYROTMWKJLOOG-UHFFFAOYSA-N 0 0 334.397 3.629 50 5 EHBARN O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(Cl)cc3)n2)c1 ZINC000047318032 213842622 /nfs/dbraw/zinc/84/26/22/213842622.db2.gz CWFYRHWDLFILNI-UHFFFAOYSA-N 0 0 330.731 3.910 50 5 EHBARN CCCCCC[C@H]1C[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004110476 210121846 /nfs/dbraw/zinc/12/18/46/210121846.db2.gz DHFWVGQJAFQZFG-CJNGLKHVSA-N 0 0 348.399 3.826 50 5 EHBARN O=C(CCOc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004076602 210113812 /nfs/dbraw/zinc/11/38/12/210113812.db2.gz CFLQAGRMIRSSGS-UHFFFAOYSA-N 0 0 343.364 3.612 50 5 EHBARN Cc1ccc(NC(=O)COc2c(C)ccc(C)c2C)c([N+](=O)[O-])c1 ZINC000004043003 210107992 /nfs/dbraw/zinc/10/79/92/210107992.db2.gz HEWXWQFNXXXQAH-UHFFFAOYSA-N 0 0 328.368 3.846 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000042687897 213525509 /nfs/dbraw/zinc/52/55/09/213525509.db2.gz WQJLPINIFDRLMH-UHFFFAOYSA-N 0 0 344.342 3.803 50 5 EHBARN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000002900242 209939001 /nfs/dbraw/zinc/93/90/01/209939001.db2.gz OXGRXVKBUVWTHY-SECBINFHSA-N 0 0 349.730 3.647 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Br ZINC000002774353 209907675 /nfs/dbraw/zinc/90/76/75/209907675.db2.gz GSFUJFMTZBZRAT-UHFFFAOYSA-N 0 0 335.157 3.539 50 5 EHBARN O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000002520604 209864184 /nfs/dbraw/zinc/86/41/84/209864184.db2.gz CECWKZSJJOIKOU-UHFFFAOYSA-N 0 0 348.742 3.662 50 5 EHBARN Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000104139912 219351921 /nfs/dbraw/zinc/35/19/21/219351921.db2.gz LZJGUDBNAZQZAQ-UHFFFAOYSA-N 0 0 332.272 3.772 50 5 EHBARN Cc1nc(CN(C)Cc2c(F)cccc2[N+](=O)[O-])nc2ccccc12 ZINC000069350034 215385047 /nfs/dbraw/zinc/38/50/47/215385047.db2.gz IMDJMMRGJGFFEG-UHFFFAOYSA-N 0 0 340.358 3.618 50 5 EHBARN O=[N+]([O-])c1ccc(NCCc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000040091197 213262499 /nfs/dbraw/zinc/26/24/99/213262499.db2.gz GLWDFWHEJGGDOE-UHFFFAOYSA-N 0 0 326.331 3.574 50 5 EHBARN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000040074642 213258742 /nfs/dbraw/zinc/25/87/42/213258742.db2.gz OXJJJJXRNRORMJ-MRVPVSSYSA-N 0 0 340.788 3.809 50 5 EHBARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000040069845 213256480 /nfs/dbraw/zinc/25/64/80/213256480.db2.gz KMIAAFSLDGQSLW-ZDUSSCGKSA-N 0 0 328.368 3.745 50 5 EHBARN Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000485675 209631111 /nfs/dbraw/zinc/63/11/11/209631111.db2.gz DHSIIBOXCLNSAY-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 biogenic EHBARN Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000000180270 209468049 /nfs/dbraw/zinc/46/80/49/209468049.db2.gz UIHVNJZXRFNESI-QGZVFWFLSA-N 0 0 328.393 3.990 50 5 EHBARN O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)cnc2c1 ZINC000028294681 212614491 /nfs/dbraw/zinc/61/44/91/212614491.db2.gz AGFBCDXBRGVWPJ-UHFFFAOYSA-N 0 0 330.141 3.968 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccoc1 ZINC000073516644 216391683 /nfs/dbraw/zinc/39/16/83/216391683.db2.gz SUJHMQZFWPKERO-UHFFFAOYSA-N 0 0 336.303 3.671 50 5 EHBARN Cc1c(NC(=O)N[C@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000075145552 216583457 /nfs/dbraw/zinc/58/34/57/216583457.db2.gz PTNBGDZXHNPFMD-MRXNPFEDSA-N 0 0 343.383 3.539 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1c(F)ccc(F)c1F ZINC000193743639 240292185 /nfs/dbraw/zinc/29/21/85/240292185.db2.gz KCNRNWABEFYHGD-UHFFFAOYSA-N 0 0 347.252 3.813 50 5 EHBARN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000088238093 217741947 /nfs/dbraw/zinc/74/19/47/217741947.db2.gz ISTIAVZTCAWCTK-CQSZACIVSA-N 0 0 339.395 3.686 50 5 EHBARN O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c12 ZINC000012354940 211354696 /nfs/dbraw/zinc/35/46/96/211354696.db2.gz KAJXOWFGKYKMMZ-UHFFFAOYSA-N 0 0 325.327 3.839 50 5 aggregator,in-vitro EHBARN CC(=O)c1ccc(Sc2nnc(NC(C)C)s2)c([N+](=O)[O-])c1 ZINC000009834998 211127514 /nfs/dbraw/zinc/12/75/14/211127514.db2.gz HYLJKWHBZHKAHH-UHFFFAOYSA-N 0 0 338.414 3.620 50 5 EHBARN C[C@H](Sc1nnc2[nH]c3ccccc3n21)c1cccc([N+](=O)[O-])c1 ZINC000009466481 211087020 /nfs/dbraw/zinc/08/70/20/211087020.db2.gz RFIBXUSDEGJKJG-JTQLQIEISA-N 0 0 339.380 3.972 50 5 EHBARN Cc1ccsc1/C=C1\CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O ZINC000007700554 210833873 /nfs/dbraw/zinc/83/38/73/210833873.db2.gz PHSULGVMJUEGDD-DHZHZOJOSA-N 0 0 339.376 3.619 50 5 EHBARN Cc1ccc(NC(=O)c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000005793834 210538067 /nfs/dbraw/zinc/53/80/67/210538067.db2.gz HXWFPJQGDHOSAY-UHFFFAOYSA-N 0 0 341.186 3.980 50 5 EHBARN COc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c(C)c1 ZINC000005042066 210373661 /nfs/dbraw/zinc/37/36/61/210373661.db2.gz WUNUBQFXQHWTGZ-UHFFFAOYSA-N 0 0 347.396 3.729 50 5 EHBARN CCOc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000005041842 210372458 /nfs/dbraw/zinc/37/24/58/210372458.db2.gz VETOBSXSBTXVPQ-UHFFFAOYSA-N 0 0 331.328 3.646 50 5 EHBARN N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000004771060 210273360 /nfs/dbraw/zinc/27/33/60/210273360.db2.gz UHKMPAMCQNHBQH-UHFFFAOYSA-N 0 0 343.726 3.726 50 5 EHBARN CC[C@@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000050124550 132179475 /nfs/dbraw/zinc/17/94/75/132179475.db2.gz FMQFSPAOTQZVEJ-MRXNPFEDSA-N 0 0 345.443 3.602 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1 ZINC000005049190 135669397 /nfs/dbraw/zinc/66/93/97/135669397.db2.gz DEAIJNRZWAMMKE-UHFFFAOYSA-N 0 0 325.368 3.837 50 5 EHBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)c1ccc(O)cc1 ZINC000004840209 526779095 /nfs/dbraw/zinc/77/90/95/526779095.db2.gz XBIWBJFGRQLWIF-UHFFFAOYSA-N 0 0 338.319 3.740 50 5 EHBARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000002899081 563644648 /nfs/dbraw/zinc/64/46/48/563644648.db2.gz CZGMIKXBHJSRFK-UHFFFAOYSA-N 0 0 332.184 3.543 50 5 EHBARN C[C@H](OCCCNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000032907558 563799358 /nfs/dbraw/zinc/79/93/58/563799358.db2.gz ISXYZPKATCHSMV-LBPRGKRZSA-N 0 0 334.397 3.554 50 5 EHBARN CC(C)(C)c1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000032910100 563802392 /nfs/dbraw/zinc/80/23/92/563802392.db2.gz HPURXEBGSIVSNZ-UHFFFAOYSA-N 0 0 338.363 3.689 50 5 EHBARN O=[N+]([O-])c1cn(Cc2cc(-c3ccccc3)on2)nc1-c1ccncc1 ZINC000072296227 563980772 /nfs/dbraw/zinc/98/07/72/563980772.db2.gz BBEOQXGIIKOWHL-UHFFFAOYSA-N 0 0 347.334 3.557 50 5 EHBARN Cc1ccc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000000144592 563987065 /nfs/dbraw/zinc/98/70/65/563987065.db2.gz SHUYEGRGLJDKHO-UHFFFAOYSA-N 0 0 328.368 3.846 50 5 EHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000000255396 563989472 /nfs/dbraw/zinc/98/94/72/563989472.db2.gz CGWFZXBCHIAJNY-UHFFFAOYSA-N 0 0 339.120 3.749 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc(F)cc1 ZINC000000296600 563990236 /nfs/dbraw/zinc/99/02/36/563990236.db2.gz KEYZSYWBWSWZPX-AUWJEWJLSA-N 0 0 346.701 3.732 50 5 EHBARN CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000300720 563990775 /nfs/dbraw/zinc/99/07/75/563990775.db2.gz ULBRAZCKMZFVEN-LBPRGKRZSA-N 0 0 334.397 3.909 50 5 EHBARN Cc1ccccc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000309414 563990832 /nfs/dbraw/zinc/99/08/32/563990832.db2.gz QIFNNWHPORDBQY-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN CC(=O)c1ccc(N2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000408522234 563993180 /nfs/dbraw/zinc/99/31/80/563993180.db2.gz FSQFETLHFSMINW-MRXNPFEDSA-N 0 0 325.368 3.576 50 5 EHBARN COc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1NC(C)=O ZINC000024213928 563997986 /nfs/dbraw/zinc/99/79/86/563997986.db2.gz NMXPWLPLJDSVKF-UHFFFAOYSA-N 0 0 335.747 3.959 50 5 EHBARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000000423829 563998389 /nfs/dbraw/zinc/99/83/89/563998389.db2.gz BVRXPNYBUGVLAV-KRWDZBQOSA-N 0 0 344.392 3.772 50 5 EHBARN CCOc1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 ZINC000005173426 563999850 /nfs/dbraw/zinc/99/98/50/563999850.db2.gz DJFHYGOMKAGVMZ-UHFFFAOYSA-N 0 0 343.364 3.856 50 5 EHBARN O=C(Nc1nnc(C2CCCCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000005428785 564003889 /nfs/dbraw/zinc/00/38/89/564003889.db2.gz RFNFBWYZTMQGSK-UHFFFAOYSA-N 0 0 332.385 3.746 50 5 EHBARN CC(C)COc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005446199 564004086 /nfs/dbraw/zinc/00/40/86/564004086.db2.gz GKZCDYXQHQVHKA-UHFFFAOYSA-N 0 0 344.367 3.647 50 5 EHBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F ZINC000000472955 564006225 /nfs/dbraw/zinc/00/62/25/564006225.db2.gz FCWQAUONPOEGGY-UHFFFAOYSA-N 0 0 338.335 3.745 50 5 EHBARN C[C@H](CNc1ncccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000024529033 564023025 /nfs/dbraw/zinc/02/30/25/564023025.db2.gz YRINNOQYUDFHLX-SNVBAGLBSA-N 0 0 347.325 3.950 50 5 EHBARN O=[N+]([O-])c1c(N[C@@H]2CCC[C@H](C(F)(F)F)C2)nc2ccccn21 ZINC000012742202 564065471 /nfs/dbraw/zinc/06/54/71/564065471.db2.gz AOVVOPYQESGNAQ-VHSXEESVSA-N 0 0 328.294 3.776 50 5 EHBARN Cc1c(COC(=O)[C@H]2C[C@H]2c2ccccc2F)cccc1[N+](=O)[O-] ZINC000084041607 564065872 /nfs/dbraw/zinc/06/58/72/564065872.db2.gz GBAOXHLCKHDLIR-GJZGRUSLSA-N 0 0 329.327 3.889 50 5 EHBARN C[C@H]1c2ccsc2CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000012825203 564075044 /nfs/dbraw/zinc/07/50/44/564075044.db2.gz HZONIQBEVMEKEQ-LBPRGKRZSA-N 0 0 345.424 3.604 50 5 EHBARN Cc1cc(C(=O)N(Cc2ccccc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000012886593 564077488 /nfs/dbraw/zinc/07/74/88/564077488.db2.gz TZPOLCLQLSIWNF-UHFFFAOYSA-N 0 0 328.343 3.847 50 5 EHBARN CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000012927687 564078604 /nfs/dbraw/zinc/07/86/04/564078604.db2.gz POKULOYDYXHFAT-UHFFFAOYSA-N 0 0 347.758 3.767 50 5 EHBARN CC(C)=C[C@@H]1[C@H](C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000075261078 564081227 /nfs/dbraw/zinc/08/12/27/564081227.db2.gz QCWKWMUWGYYCRV-ZIAGYGMSSA-N 0 0 347.440 3.646 50 5 EHBARN C[C@@H]1CCC[C@H](NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000006536903 564091730 /nfs/dbraw/zinc/09/17/30/564091730.db2.gz NGYPEHIGJOVDMW-WZRBSPASSA-N 0 0 340.807 3.568 50 5 EHBARN Cc1nn(Cc2csc(-c3ccc(C)cc3)n2)c(C)c1[N+](=O)[O-] ZINC000006601128 564092675 /nfs/dbraw/zinc/09/26/75/564092675.db2.gz ISEIFJJFUXCRBH-UHFFFAOYSA-N 0 0 328.397 3.888 50 5 EHBARN O=[N+]([O-])c1cc(CN(Cc2cc[nH]n2)Cc2ccccc2)cs1 ZINC000065588266 564107881 /nfs/dbraw/zinc/10/78/81/564107881.db2.gz YITZKPZVUSNGMM-UHFFFAOYSA-N 0 0 328.397 3.582 50 5 EHBARN Cc1ccccc1OCCOC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000007506950 564109409 /nfs/dbraw/zinc/10/94/09/564109409.db2.gz VEGJSYIHWZNIPI-ZHACJKMWSA-N 0 0 327.336 3.539 50 5 EHBARN Cc1cc(CSCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)on1 ZINC000089602471 564112666 /nfs/dbraw/zinc/11/26/66/564112666.db2.gz BHWKKOGOSPRBDB-UHFFFAOYSA-N 0 0 331.353 3.980 50 5 EHBARN C[C@@](Cc1ccccc1)([N+](=O)[O-])[C@](C)(Cc1ccccc1)[N+](=O)[O-] ZINC000002141650 564119193 /nfs/dbraw/zinc/11/91/93/564119193.db2.gz OZEQJUXGNUYFFN-ROUUACIJSA-N 0 0 328.368 3.543 50 5 EHBARN O=[N+]([O-])c1ccc(CNc2ccccc2[C@H](O)C(F)(F)F)cc1 ZINC000253429948 564131269 /nfs/dbraw/zinc/13/12/69/564131269.db2.gz PGIFOVYKQKLRPB-AWEZNQCLSA-N 0 0 326.274 3.803 50 5 EHBARN Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000002431655 564135016 /nfs/dbraw/zinc/13/50/16/564135016.db2.gz BBKUUJOWHSXDGJ-WEVVVXLNSA-N 0 0 349.390 3.757 50 5 EHBARN Cc1ncc(/C=C/C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000078996097 564137567 /nfs/dbraw/zinc/13/75/67/564137567.db2.gz WHOITSGOSMYVEE-WSKFYRRCSA-N 0 0 331.397 3.593 50 5 EHBARN Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c2cccnc12 ZINC000095965087 564142895 /nfs/dbraw/zinc/14/28/95/564142895.db2.gz IXMMPBVZYHXOND-UHFFFAOYSA-N 0 0 325.299 3.843 50 5 EHBARN COc1ccc(CNc2ccc(Cl)c(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000095977518 564143598 /nfs/dbraw/zinc/14/35/98/564143598.db2.gz YOLMEYCUHGGILE-UHFFFAOYSA-N 0 0 349.774 3.827 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nnc(Nc3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000002546697 564150609 /nfs/dbraw/zinc/15/06/09/564150609.db2.gz UBHSRADCVLEIOV-UHFFFAOYSA-N 0 0 343.324 3.765 50 5 EHBARN CC(=O)c1ccc(N2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000029528007 564153661 /nfs/dbraw/zinc/15/36/61/564153661.db2.gz KXGSNMCYZWTFLD-GOSISDBHSA-N 0 0 344.342 3.514 50 5 EHBARN Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] ZINC000003221234 564156211 /nfs/dbraw/zinc/15/62/11/564156211.db2.gz QZCYSYOEDKIZSY-UHFFFAOYSA-N 0 0 342.380 3.510 50 5 EHBARN Nn1cc(-c2ccccc2)nc1S/C=C/c1ccc([N+](=O)[O-])o1 ZINC000058102382 564157644 /nfs/dbraw/zinc/15/76/44/564157644.db2.gz GPYLWFROIRTCLY-CMDGGOBGSA-N 0 0 328.353 3.528 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)c2ccccc2)c1 ZINC000031489685 564159461 /nfs/dbraw/zinc/15/94/61/564159461.db2.gz QZOYZGBLWKIAMN-HNNXBMFYSA-N 0 0 342.395 3.592 50 5 EHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1Br ZINC000031929708 564160234 /nfs/dbraw/zinc/16/02/34/564160234.db2.gz QPMKWGUOYJFIJB-UHFFFAOYSA-N 0 0 349.184 3.630 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000175071857 564175258 /nfs/dbraw/zinc/17/52/58/564175258.db2.gz QRBXUYQUWFSOPF-INIZCTEOSA-N 0 0 344.392 3.573 50 5 EHBARN Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 ZINC000002831435 1025911879 /nfs/dbraw/zinc/91/18/79/1025911879.db2.gz AZGVJXAGTMYMKJ-LBPRGKRZSA-N 0 0 343.339 3.611 50 5 EHBARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000053642239 214190909 /nfs/dbraw/zinc/19/09/09/214190909.db2.gz UMPYQWKTARMADZ-IUODEOHRSA-N 0 0 328.368 3.512 50 5 EHBARN Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc(Br)cc1 ZINC000004543034 210218187 /nfs/dbraw/zinc/21/81/87/210218187.db2.gz YGBPUZVNCZHWHH-UHFFFAOYSA-N 0 0 332.157 3.911 50 5 EHBARN CN(Cc1cccc2ccccc21)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000004164167 210136484 /nfs/dbraw/zinc/13/64/84/210136484.db2.gz GXRVGSREOCUDGJ-UHFFFAOYSA-N 0 0 328.759 3.828 50 5 EHBARN COc1ccc(NC(=O)CCCOc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000004042298 210107440 /nfs/dbraw/zinc/10/74/40/210107440.db2.gz IVHGBUGTNNXDRP-UHFFFAOYSA-N 0 0 344.367 3.710 50 5 EHBARN CCOc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000003420853 210033732 /nfs/dbraw/zinc/03/37/32/210033732.db2.gz GEOLLQQJQWPPEN-UHFFFAOYSA-N 0 0 332.381 3.724 50 5 EHBARN CCc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000003299779 210000846 /nfs/dbraw/zinc/00/08/46/210000846.db2.gz XWAQRSUGKJYYRB-UHFFFAOYSA-N 0 0 325.320 3.843 50 5 EHBARN CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000003002481 209952939 /nfs/dbraw/zinc/95/29/39/209952939.db2.gz UFOWDOCPOBPGGY-UHFFFAOYSA-N 0 0 327.340 3.504 50 5 EHBARN CCCCn1c(=O)c2c(nc1-c1ccco1)oc1ccccc1c2=O ZINC000002195941 209828986 /nfs/dbraw/zinc/82/89/86/209828986.db2.gz BZQRFWBLEJXTTJ-UHFFFAOYSA-N 0 0 336.347 3.563 50 5 EHBARN CC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000304098 209526215 /nfs/dbraw/zinc/52/62/15/209526215.db2.gz DHEMLZGEEHFFKH-UHFFFAOYSA-N 0 0 332.331 3.875 50 5 EHBARN COc1cc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc(OC)c1 ZINC000022797723 212324894 /nfs/dbraw/zinc/32/48/94/212324894.db2.gz PMOVJVQDUHIUPT-UHFFFAOYSA-N 0 0 325.324 3.904 50 5 EHBARN Cc1nn([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c(C)c1[N+](=O)[O-] ZINC000075147248 216584685 /nfs/dbraw/zinc/58/46/85/216584685.db2.gz WIKBAPIREYLAIN-JTQLQIEISA-N 0 0 347.762 3.721 50 5 EHBARN COc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1[N+](=O)[O-] ZINC000021934679 212265420 /nfs/dbraw/zinc/26/54/20/212265420.db2.gz IZIPOLCAEALOLY-UHFFFAOYSA-N 0 0 344.342 3.547 50 5 EHBARN O=C(NCc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000045624575 213745454 /nfs/dbraw/zinc/74/54/54/213745454.db2.gz FORZOKABPQPRHG-AWEZNQCLSA-N 0 0 331.397 3.703 50 5 EHBARN O=[N+]([O-])c1c(F)cccc1N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000078774439 217118432 /nfs/dbraw/zinc/11/84/32/217118432.db2.gz YMBNVHGPIMNXHG-AWEZNQCLSA-N 0 0 344.342 3.847 50 5 EHBARN Cc1sc(NC(=O)c2ccncc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000079140990 217197869 /nfs/dbraw/zinc/19/78/69/217197869.db2.gz JSKXLUDVDUJGTM-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN Cc1cc(NC(=O)c2oc(-c3ccc([N+](=O)[O-])cc3)cc2C)no1 ZINC000011689998 211234322 /nfs/dbraw/zinc/23/43/22/211234322.db2.gz AWHVFVYBKAGTDY-UHFFFAOYSA-N 0 0 327.296 3.712 50 5 EHBARN COc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000009762737 211122340 /nfs/dbraw/zinc/12/23/40/211122340.db2.gz CCDHPYLSJNEBFM-UHFFFAOYSA-N 0 0 335.385 3.610 50 5 EHBARN Cc1cc(C)cc(C2(C(=O)NCc3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000095364874 218297841 /nfs/dbraw/zinc/29/78/41/218297841.db2.gz HLQAYGJOYXWGRZ-UHFFFAOYSA-N 0 0 338.407 3.950 50 5 EHBARN CCNc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] ZINC000008780162 211006192 /nfs/dbraw/zinc/00/61/92/211006192.db2.gz LVYYUPWJXVDFDH-UHFFFAOYSA-N 0 0 349.774 3.941 50 5 EHBARN O=c1oc2ccccc2c(Nc2ccc3ncccc3c2)c1[N+](=O)[O-] ZINC000008684214 210979980 /nfs/dbraw/zinc/97/99/80/210979980.db2.gz XZWILEIVGHRAQZ-UHFFFAOYSA-N 0 0 333.303 3.993 50 5 EHBARN Cc1c(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cccc1[N+](=O)[O-] ZINC000007956625 210871009 /nfs/dbraw/zinc/87/10/09/210871009.db2.gz FNCXUDDTQWSWLI-LBPRGKRZSA-N 0 0 346.770 3.746 50 5 EHBARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000005567504 210490423 /nfs/dbraw/zinc/49/04/23/210490423.db2.gz QXCDTXRKWMLHDR-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCC2 ZINC000005118534 210392801 /nfs/dbraw/zinc/39/28/01/210392801.db2.gz CTGCQIDEVUQMAP-UHFFFAOYSA-N 0 0 331.755 3.999 50 5 EHBARN O=[N+]([O-])c1cccnc1Sc1nnc(-c2cccc(Cl)c2)o1 ZINC000004998479 210354209 /nfs/dbraw/zinc/35/42/09/210354209.db2.gz WSVNMBCDZLLREZ-UHFFFAOYSA-N 0 0 334.744 3.844 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NCCC1=CCCCC1 ZINC000004999154 210355106 /nfs/dbraw/zinc/35/51/06/210355106.db2.gz RWNRVXSQKKEJLD-UHFFFAOYSA-N 0 0 335.429 3.780 50 5 EHBARN Cc1cc(C)c(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)c([N+](=O)[O-])c1 ZINC000004844633 210298189 /nfs/dbraw/zinc/29/81/89/210298189.db2.gz FCQGAIRGTNECQU-RBUKOAKNSA-N 0 0 344.411 3.936 50 5 EHBARN Cc1cc2occ(CC(=O)Nc3ncc([N+](=O)[O-])s3)c2c(C)c1 ZINC000004820603 210287767 /nfs/dbraw/zinc/28/77/67/210287767.db2.gz DNSHNZSJCSZLIA-UHFFFAOYSA-N 0 0 331.353 3.596 50 5 EHBARN CSc1ccccc1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000348812480 257930656 /nfs/dbraw/zinc/93/06/56/257930656.db2.gz RYIWTLYWSFWOLQ-UHFFFAOYSA-N 0 0 330.409 3.518 50 5 EHBARN O=C(NCc1nc(C2CC2)cs1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097162541 258068517 /nfs/dbraw/zinc/06/85/17/258068517.db2.gz ZRYTVNVBGCDMHQ-UHFFFAOYSA-N 0 0 337.788 3.512 50 5 EHBARN O=C(Nc1ccccc1O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000057026249 132198584 /nfs/dbraw/zinc/19/85/84/132198584.db2.gz BSMGDKUERLGWPO-UHFFFAOYSA-N 0 0 341.367 3.543 50 5 EHBARN O=C(Nc1c2ccccc2nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000005234916 563523680 /nfs/dbraw/zinc/52/36/80/563523680.db2.gz AGIJGGLXZRFUNR-UHFFFAOYSA-N 0 0 343.342 3.970 50 5 EHBARN CCOC(=O)c1cnc2c(OC)cc3c4ccccc4oc3c2c1O ZINC000015219079 563780280 /nfs/dbraw/zinc/78/02/80/563780280.db2.gz UMMLPYNWYVUAMA-UHFFFAOYSA-N 0 0 337.331 3.613 50 5 biogenic EHBARN CC(=O)Nc1cc(NCc2csc([N+](=O)[O-])c2)c(F)cc1F ZINC000096427466 563952272 /nfs/dbraw/zinc/95/22/72/563952272.db2.gz UMXMJWJWBFOYKR-UHFFFAOYSA-N 0 0 327.312 3.505 50 5 EHBARN O=[N+]([O-])c1cc2onc(C3OCCO3)c2c(SCc2ccco2)c1 ZINC000000032813 563967768 /nfs/dbraw/zinc/96/77/68/563967768.db2.gz OJVIJUNXUFFSNJ-UHFFFAOYSA-N 0 0 348.336 3.667 50 5 EHBARN CC(C)[C@@H](c1cccnc1)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000097227651 563970571 /nfs/dbraw/zinc/97/05/71/563970571.db2.gz GZZWKIGEKRAEFC-INIZCTEOSA-N 0 0 331.347 3.598 50 5 EHBARN CSc1nc(C)cc(C)c1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000091821 563976560 /nfs/dbraw/zinc/97/65/60/563976560.db2.gz DGGPZYRUUNJSDZ-UHFFFAOYSA-N 0 0 345.424 3.567 50 5 EHBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc(F)c1 ZINC000000176291 563987539 /nfs/dbraw/zinc/98/75/39/563987539.db2.gz CDJFJQBEPIFAOQ-QPEQYQDCSA-N 0 0 346.701 3.732 50 5 EHBARN C/C(=C1/N=C(c2ccc(Cl)cc2)OC1=O)c1cccc([N+](=O)[O-])c1 ZINC000000225334 563988932 /nfs/dbraw/zinc/98/89/32/563988932.db2.gz QFICBPVDMWGNPF-GDNBJRDFSA-N 0 0 342.738 3.983 50 5 EHBARN CCOc1ccc(NC(=O)/C=C\c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000033456704 563992206 /nfs/dbraw/zinc/99/22/06/563992206.db2.gz VBZUGBGYJSWEJJ-YHYXMXQVSA-N 0 0 330.315 3.785 50 5 EHBARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000000444039 563999552 /nfs/dbraw/zinc/99/95/52/563999552.db2.gz VWYSUORUDWNACP-UHFFFAOYSA-N 0 0 348.330 3.784 50 5 EHBARN O=C(COc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000455322 563999739 /nfs/dbraw/zinc/99/97/39/563999739.db2.gz ZABUQQRASZATSO-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000000459821 563999800 /nfs/dbraw/zinc/99/98/00/563999800.db2.gz AJHYEEAEJKYWBF-UHFFFAOYSA-N 0 0 343.364 3.841 50 5 EHBARN Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000456678 563999808 /nfs/dbraw/zinc/99/98/08/563999808.db2.gz KTFGIAXVCADQKP-UHFFFAOYSA-N 0 0 343.408 3.647 50 5 EHBARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000005392737 564003568 /nfs/dbraw/zinc/00/35/68/564003568.db2.gz AWDDDERUIZYBJU-UHFFFAOYSA-N 0 0 340.788 3.666 50 5 EHBARN C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1c(F)cccc1F ZINC000062402721 564005052 /nfs/dbraw/zinc/00/50/52/564005052.db2.gz QAFDRWWYMQUGFL-ZETCQYMHSA-N 0 0 340.257 3.512 50 5 EHBARN Cc1cc(C(=O)Nc2ccc(N3CCCCC3)nc2)ccc1[N+](=O)[O-] ZINC000024863551 564034146 /nfs/dbraw/zinc/03/41/46/564034146.db2.gz NYDUJJOLQFFUCL-UHFFFAOYSA-N 0 0 340.383 3.541 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(F)cc1 ZINC000025057288 564052593 /nfs/dbraw/zinc/05/25/93/564052593.db2.gz SOORWPDEWAZPFI-UHFFFAOYSA-N 0 0 332.331 3.840 50 5 EHBARN Cc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 ZINC000005824445 564056544 /nfs/dbraw/zinc/05/65/44/564056544.db2.gz FKSVCGAGDVTTRV-LBPRGKRZSA-N 0 0 334.397 3.635 50 5 EHBARN O=C(NCCOC1CCCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137148359 564057160 /nfs/dbraw/zinc/05/71/60/564057160.db2.gz CSDAVSKSFTZRKJ-UHFFFAOYSA-N 0 0 340.807 3.717 50 5 EHBARN Cc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1[N+](=O)[O-] ZINC000012622273 564060993 /nfs/dbraw/zinc/06/09/93/564060993.db2.gz FLGWBZARTZTDOQ-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN O=C(Nc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000012686240 564062637 /nfs/dbraw/zinc/06/26/37/564062637.db2.gz XMKYYQQWVDQEPV-UHFFFAOYSA-N 0 0 326.230 3.746 50 5 EHBARN Cc1cc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000001422169 564066693 /nfs/dbraw/zinc/06/66/93/564066693.db2.gz VTKCHBQHOZWXJU-UHFFFAOYSA-N 0 0 335.363 3.690 50 5 EHBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3C)nc21 ZINC000001518259 564075713 /nfs/dbraw/zinc/07/57/13/564075713.db2.gz PTGBKWNNGPPRSK-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN Cn1cnc([N+](=O)[O-])c1N1CC=C(c2cccc3ccccc32)CC1 ZINC000063738795 564076709 /nfs/dbraw/zinc/07/67/09/564076709.db2.gz LEURSXNXZDDFDX-UHFFFAOYSA-N 0 0 334.379 3.775 50 5 EHBARN O=[N+]([O-])c1cnc(N(Cc2ccccc2)CC(F)F)c(Cl)c1 ZINC000075106771 564080142 /nfs/dbraw/zinc/08/01/42/564080142.db2.gz IWDWTQVIDCKDTI-UHFFFAOYSA-N 0 0 327.718 3.915 50 5 EHBARN CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006561100 564092130 /nfs/dbraw/zinc/09/21/30/564092130.db2.gz MBINWWVHQMFHRU-LBPRGKRZSA-N 0 0 342.351 3.594 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000006588863 564092371 /nfs/dbraw/zinc/09/23/71/564092371.db2.gz PRUBENMWSZCVAS-UHFFFAOYSA-N 0 0 340.788 3.666 50 5 EHBARN O=C(NC1CC1)[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000007501669 564109397 /nfs/dbraw/zinc/10/93/97/564109397.db2.gz GGGQAUBWEAGGHA-MRXNPFEDSA-N 0 0 346.770 3.647 50 5 EHBARN O=[N+]([O-])c1cccc(F)c1CN(C[C@H]1CCOC1)c1ccccc1 ZINC000170621228 564110208 /nfs/dbraw/zinc/11/02/08/564110208.db2.gz COQYMMSEGHNPAB-CQSZACIVSA-N 0 0 330.359 3.777 50 5 EHBARN O=C(NC1CC1)[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000007544469 564110241 /nfs/dbraw/zinc/11/02/41/564110241.db2.gz YBYDBCKDBJBHSJ-INIZCTEOSA-N 0 0 346.770 3.647 50 5 EHBARN O=[N+]([O-])c1c(N[C@H]2CCCOc3ccc(F)cc32)nc2ccccn21 ZINC000071822697 564111331 /nfs/dbraw/zinc/11/13/31/564111331.db2.gz JMAZGWMGRNCFNQ-ZDUSSCGKSA-N 0 0 342.330 3.707 50 5 EHBARN COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000002164816 564120177 /nfs/dbraw/zinc/12/01/77/564120177.db2.gz LBJUCOHFHIVFAQ-HWKANZROSA-N 0 0 330.296 3.691 50 5 EHBARN CCOC(=O)c1cc2oc(C)cc2n1Cc1ccccc1[N+](=O)[O-] ZINC000019928501 564129129 /nfs/dbraw/zinc/12/91/29/564129129.db2.gz UFHOOMWHJLUYRP-UHFFFAOYSA-N 0 0 328.324 3.676 50 5 EHBARN C[C@@H](C(=O)NCc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000390835683 564139025 /nfs/dbraw/zinc/13/90/25/564139025.db2.gz UWLAJTXQBDWPBR-LLVKDONJSA-N 0 0 341.392 3.624 50 5 EHBARN CCCn1c(C)nnc1CSc1ccc([N+](=O)[O-])cc1Cl ZINC000095940950 564141993 /nfs/dbraw/zinc/14/19/93/564141993.db2.gz ZBRFHBFMIYEDLU-UHFFFAOYSA-N 0 0 326.809 3.850 50 5 EHBARN COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)o1 ZINC000002474899 564149745 /nfs/dbraw/zinc/14/97/45/564149745.db2.gz DXIUFBSAJAPRTH-UHFFFAOYSA-N 0 0 343.364 3.946 50 5 EHBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])s2)N3)C1 ZINC000002489332 564149797 /nfs/dbraw/zinc/14/97/97/564149797.db2.gz ROPXMBNDHPMQDE-CPFSXVBKSA-N 0 0 349.437 3.697 50 5 EHBARN CCc1ccc(N2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002504171 564150070 /nfs/dbraw/zinc/15/00/70/564150070.db2.gz WSEROZVNFZGCTN-KRWDZBQOSA-N 0 0 328.393 3.936 50 5 EHBARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000028999213 564152939 /nfs/dbraw/zinc/15/29/39/564152939.db2.gz PQQZVUWNXJWDMX-UHFFFAOYSA-N 0 0 343.236 3.708 50 5 EHBARN Cc1cccc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000003016529 564154325 /nfs/dbraw/zinc/15/43/25/564154325.db2.gz LWCGQGFJHJGPKJ-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN Cc1ccc(CSc2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000003148428 564155449 /nfs/dbraw/zinc/15/54/49/564155449.db2.gz PHUOZAMUEVNFCT-UHFFFAOYSA-N 0 0 326.381 3.981 50 5 EHBARN CCCCc1nc(-c2cccc(Oc3c([N+](=O)[O-])ncn3C)c2)no1 ZINC000058172071 564157928 /nfs/dbraw/zinc/15/79/28/564157928.db2.gz RCOAMYDMVIKYED-UHFFFAOYSA-N 0 0 343.343 3.513 50 5 EHBARN O=C(Nc1cccc(Cl)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031546847 564159543 /nfs/dbraw/zinc/15/95/43/564159543.db2.gz GNVIEDDBBDSPLF-UHFFFAOYSA-N 0 0 342.742 3.686 50 5 EHBARN CNc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000008144220 564163183 /nfs/dbraw/zinc/16/31/83/564163183.db2.gz XXGXEEWYLRDLEX-NSHDSACASA-N 0 0 339.351 3.874 50 5 EHBARN O=C(NCc1csc(C2CC2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000069973456 564172992 /nfs/dbraw/zinc/17/29/92/564172992.db2.gz VIEQAFUUBHGSDN-UHFFFAOYSA-N 0 0 337.788 3.512 50 5 EHBARN Cc1occc1-c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000004735846 210264752 /nfs/dbraw/zinc/26/47/52/210264752.db2.gz YLRYWVIINIGXQO-UHFFFAOYSA-N 0 0 345.336 3.521 50 5 EHBARN NC(=O)c1ccc(CSc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000053222132 214170192 /nfs/dbraw/zinc/17/01/92/214170192.db2.gz IWGWLPNVTQAWTL-UHFFFAOYSA-N 0 0 339.376 3.534 50 5 EHBARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000053642237 214191331 /nfs/dbraw/zinc/19/13/31/214191331.db2.gz UMPYQWKTARMADZ-WFASDCNBSA-N 0 0 328.368 3.512 50 5 EHBARN O=C(CSc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004698997 210251762 /nfs/dbraw/zinc/25/17/62/210251762.db2.gz FDYNOUKOQPXERL-UHFFFAOYSA-N 0 0 345.405 3.935 50 5 EHBARN Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1[N+](=O)[O-] ZINC000004583129 210226672 /nfs/dbraw/zinc/22/66/72/210226672.db2.gz AROJUVBNBZBAPA-UHFFFAOYSA-N 0 0 330.300 3.764 50 5 EHBARN O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1ccc(Cl)cc1 ZINC000004558175 210220710 /nfs/dbraw/zinc/22/07/10/210220710.db2.gz KKUAWQHVQQFGJI-LCYFTJDESA-N 0 0 328.711 3.593 50 5 EHBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c32)C(=O)N1Cc1ccccc1 ZINC000004546355 210219310 /nfs/dbraw/zinc/21/93/10/210219310.db2.gz XTMAOYBPHOBLOD-UHFFFAOYSA-N 0 0 332.315 3.544 50 5 EHBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004525582 210213849 /nfs/dbraw/zinc/21/38/49/210213849.db2.gz BNKYWKIKHRZMHH-PSLIRLAXSA-N 0 0 343.408 3.635 50 5 EHBARN Cc1cc2c(s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n2C)c(C)c1 ZINC000100908608 219111206 /nfs/dbraw/zinc/11/12/06/219111206.db2.gz HBDCOEDWGLQZFX-ZCXUNETKSA-N 0 0 341.392 3.506 50 5 EHBARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000101155786 219117644 /nfs/dbraw/zinc/11/76/44/219117644.db2.gz HWBMEYNDMZMDHQ-QGZVFWFLSA-N 0 0 333.351 3.551 50 5 EHBARN COc1ccc(-c2csc(-c3cccc(N)c3)n2)cc1[N+](=O)[O-] ZINC000004245310 210150490 /nfs/dbraw/zinc/15/04/90/210150490.db2.gz JOXREAWISOYION-UHFFFAOYSA-N 0 0 327.365 3.976 50 5 EHBARN COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000004071170 210113749 /nfs/dbraw/zinc/11/37/49/210113749.db2.gz JHYCOJZKXSCGHH-UHFFFAOYSA-N 0 0 330.384 3.758 50 5 EHBARN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc21 ZINC000003538080 210050619 /nfs/dbraw/zinc/05/06/19/210050619.db2.gz VPNGODBSRUUYOL-NSHDSACASA-N 0 0 345.786 3.638 50 5 EHBARN CC(C)(C)N(Cc1ccccc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000003382123 210023572 /nfs/dbraw/zinc/02/35/72/210023572.db2.gz GDKTZAMHVISQRW-UHFFFAOYSA-N 0 0 342.395 3.801 50 5 EHBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])o2)nc1-c1ccccc1 ZINC000003325860 210008386 /nfs/dbraw/zinc/00/83/86/210008386.db2.gz LWCRFSKOIUWGPS-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN Cc1cccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1[N+](=O)[O-] ZINC000067156262 215118916 /nfs/dbraw/zinc/11/89/16/215118916.db2.gz ZPOWJIRFLSFYCQ-UHFFFAOYSA-N 0 0 328.353 3.607 50 5 EHBARN CSc1ccc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000067966832 215262372 /nfs/dbraw/zinc/26/23/72/215262372.db2.gz ZNTKIAYGQFDQCO-LLVKDONJSA-N 0 0 331.397 3.545 50 5 EHBARN CSc1ccc(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC000067989861 215268148 /nfs/dbraw/zinc/26/81/48/215268148.db2.gz KZSMCRMRRBPHGN-UHFFFAOYSA-N 0 0 338.335 3.525 50 5 EHBARN CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000068304618 215298844 /nfs/dbraw/zinc/29/88/44/215298844.db2.gz WKDSAMOZZISOGZ-GFCCVEGCSA-N 0 0 331.397 3.524 50 5 EHBARN CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000068304619 215297907 /nfs/dbraw/zinc/29/79/07/215297907.db2.gz WKDSAMOZZISOGZ-LBPRGKRZSA-N 0 0 331.397 3.524 50 5 EHBARN Cc1nc(C)c([C@H](C)N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000104089325 219346151 /nfs/dbraw/zinc/34/61/51/219346151.db2.gz YHYREFCJZFKFHD-LAUAKBEESA-N 0 0 345.424 3.901 50 5 EHBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1c1ccsc1 ZINC000040153688 213274091 /nfs/dbraw/zinc/27/40/91/213274091.db2.gz XKDJDIVDYSERRC-CQSZACIVSA-N 0 0 332.381 3.784 50 5 EHBARN CCNC(=O)c1cc2sc(C)cc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000037525911 213154382 /nfs/dbraw/zinc/15/43/82/213154382.db2.gz MAKAQIKTZYRZQM-UHFFFAOYSA-N 0 0 343.408 3.717 50 5 EHBARN COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000471247 209621774 /nfs/dbraw/zinc/62/17/74/209621774.db2.gz ZVYDVGZRVKDXFK-JTQLQIEISA-N 0 0 334.759 3.999 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000000433519 209598934 /nfs/dbraw/zinc/59/89/34/209598934.db2.gz ZFASEIFTZDFLMM-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN O=[N+]([O-])c1cc2onc(C3OCCO3)c2c(Sc2ccccc2)c1 ZINC000000091873 209414975 /nfs/dbraw/zinc/41/49/75/209414975.db2.gz OKWIPEZQHPJKBO-UHFFFAOYSA-N 0 0 344.348 3.933 50 5 EHBARN Cc1nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c(C)c1C ZINC000000069930 209399536 /nfs/dbraw/zinc/39/95/36/209399536.db2.gz UFPPAYBBXQBLSV-UHFFFAOYSA-N 0 0 341.392 3.943 50 5 EHBARN O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000000067710 209398688 /nfs/dbraw/zinc/39/86/88/209398688.db2.gz TXVRVDMNKYQXOS-UHFFFAOYSA-N 0 0 343.342 3.961 50 5 EHBARN Cc1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)c(C)c1 ZINC000022607839 212310227 /nfs/dbraw/zinc/31/02/27/212310227.db2.gz JUDROXWDSPTRHS-UHFFFAOYSA-N 0 0 340.386 3.803 50 5 EHBARN O=[N+]([O-])c1cccc(-c2ccc(-c3nnc(-c4ccccn4)o3)o2)c1 ZINC000020739013 212168798 /nfs/dbraw/zinc/16/87/98/212168798.db2.gz OZEWBOMIIUATMU-UHFFFAOYSA-N 0 0 334.291 3.967 50 5 EHBARN Cc1nnc2c(Nc3cccc([N+](=O)[O-])c3C)nc3ccccc3n12 ZINC000020177350 212109327 /nfs/dbraw/zinc/10/93/27/212109327.db2.gz QADKXRSZJULBQF-UHFFFAOYSA-N 0 0 334.339 3.546 50 5 EHBARN Cc1cc(N2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000078774535 217118396 /nfs/dbraw/zinc/11/83/96/217118396.db2.gz ZDOLKDNMWUHZDS-INIZCTEOSA-N 0 0 326.352 3.973 50 5 EHBARN O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1ccc(Cl)cc1Cl ZINC000012817652 211466018 /nfs/dbraw/zinc/46/60/18/211466018.db2.gz AVYHEWSOPOOKLA-UHFFFAOYSA-N 0 0 339.134 3.858 50 5 EHBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H](c2ccccc2)C1 ZINC000089828095 217854670 /nfs/dbraw/zinc/85/46/70/217854670.db2.gz KCUJPCNZDCXJQW-OAHLLOKOSA-N 0 0 335.363 3.706 50 5 EHBARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012632517 211427218 /nfs/dbraw/zinc/42/72/18/211427218.db2.gz MSMWQGFLJNFZTC-GFCCVEGCSA-N 0 0 325.368 3.523 50 5 EHBARN Cc1ccc2cc(Cn3cc([N+](=O)[O-])ccc3=O)c(Cl)nc2c1C ZINC000009050912 211034959 /nfs/dbraw/zinc/03/49/59/211034959.db2.gz QWYCPWPTMDQITG-UHFFFAOYSA-N 0 0 343.770 3.623 50 5 EHBARN Cc1cccc(-n2nnnc2S[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000008982846 211025737 /nfs/dbraw/zinc/02/57/37/211025737.db2.gz HXQJURZWHMZGJU-LBPRGKRZSA-N 0 0 341.396 3.732 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccco1 ZINC000008916423 211018058 /nfs/dbraw/zinc/01/80/58/211018058.db2.gz UFBZIQVQGWTVQV-UHFFFAOYSA-N 0 0 326.308 3.623 50 5 EHBARN COc1ccc(CNc2cccc(-c3nnc(C)o3)c2)cc1[N+](=O)[O-] ZINC000095429197 218372064 /nfs/dbraw/zinc/37/20/64/218372064.db2.gz DEVDCQRUFVEJHE-UHFFFAOYSA-N 0 0 340.339 3.574 50 5 EHBARN O=C(NC1CC1)[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000007544476 210813203 /nfs/dbraw/zinc/81/32/03/210813203.db2.gz YBYDBCKDBJBHSJ-MRXNPFEDSA-N 0 0 346.770 3.647 50 5 EHBARN COc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])c1 ZINC000007441902 210800371 /nfs/dbraw/zinc/80/03/71/210800371.db2.gz COCQZGGEXKXLNS-UHFFFAOYSA-N 0 0 349.211 3.878 50 5 EHBARN Cc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006535919 210648580 /nfs/dbraw/zinc/64/85/80/210648580.db2.gz KGQCDCLKOQVXSY-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN Cn1c(=O)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)c2ccccc21 ZINC000005576453 210493968 /nfs/dbraw/zinc/49/39/68/210493968.db2.gz LNFBFUFCAMHGEQ-UHFFFAOYSA-N 0 0 329.743 3.844 50 5 EHBARN COc1ccc(NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 ZINC000005041797 210372304 /nfs/dbraw/zinc/37/23/04/210372304.db2.gz JADQGJCOVSIPPX-UHFFFAOYSA-N 0 0 347.396 3.729 50 5 EHBARN Nc1nc(Nc2ccccc2F)nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000005032194 210368678 /nfs/dbraw/zinc/36/86/78/210368678.db2.gz AXIUOBGVQSEIKI-UHFFFAOYSA-N 0 0 346.366 3.594 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1Br ZINC000005005150 210358631 /nfs/dbraw/zinc/35/86/31/210358631.db2.gz UOKOAWJQECYPMK-UHFFFAOYSA-N 0 0 339.120 3.749 50 5 EHBARN Cc1nn(C(C)C)c(C)c1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097220134 218998572 /nfs/dbraw/zinc/99/85/72/218998572.db2.gz MMAKOUAZYGBBGZ-HJWRWDBZSA-N 0 0 328.372 3.641 50 5 EHBARN CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000004902487 210318124 /nfs/dbraw/zinc/31/81/24/210318124.db2.gz RGNNHKTWIUVKMI-QGZVFWFLSA-N 0 0 344.367 3.790 50 5 EHBARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1ccc(C)nc1[N+](=O)[O-] ZINC000004892262 210314566 /nfs/dbraw/zinc/31/45/66/210314566.db2.gz ULPQXLNRAWWQEK-LBPRGKRZSA-N 0 0 339.351 3.738 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000162808220 258070468 /nfs/dbraw/zinc/07/04/68/258070468.db2.gz NGWSKRQKGPCRDR-GFCCVEGCSA-N 0 0 346.412 3.771 50 5 EHBARN CCOC(=O)[C@@H](CC)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000146403 563244479 /nfs/dbraw/zinc/24/44/79/563244479.db2.gz ARIHAESWCCFZGW-MRXNPFEDSA-N 0 0 326.348 3.667 50 5 EHBARN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 ZINC000072289182 563908621 /nfs/dbraw/zinc/90/86/21/563908621.db2.gz HGJYWDPINDNQTG-JTQLQIEISA-N 0 0 346.412 3.813 50 5 EHBARN Cc1ccsc1-c1nc(-c2ccc(C)c([N+](=O)[O-])c2)cc(=O)o1 ZINC000000456781 563917522 /nfs/dbraw/zinc/91/75/22/563917522.db2.gz TZNFJLYBBPJWJQ-UHFFFAOYSA-N 0 0 328.349 3.955 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(Cl)cc1 ZINC000000070741 563973730 /nfs/dbraw/zinc/97/37/30/563973730.db2.gz MZYTVWRLTXNNSE-NTEUORMPSA-N 0 0 328.711 3.593 50 5 EHBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000000090660 563976501 /nfs/dbraw/zinc/97/65/01/563976501.db2.gz HKXUSWLJZJTLCP-UHFFFAOYSA-N 0 0 329.205 3.972 50 5 EHBARN O=[N+]([O-])c1ccc(C2(S(=O)(=O)c3ccccc3)CCCC2)cc1 ZINC000000116142 563986766 /nfs/dbraw/zinc/98/67/66/563986766.db2.gz OUDOYOCVYRKYKB-UHFFFAOYSA-N 0 0 331.393 3.838 50 5 EHBARN O=[N+]([O-])c1cccc(-c2noc(COc3ccc(Cl)cc3)n2)c1 ZINC000000150560 563987355 /nfs/dbraw/zinc/98/73/55/563987355.db2.gz ZGJLNSZLMZHHEA-UHFFFAOYSA-N 0 0 331.715 3.877 50 5 EHBARN COc1ccc(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000168670 563987455 /nfs/dbraw/zinc/98/74/55/563987455.db2.gz ALNAWLDSKPBNIL-UHFFFAOYSA-N 0 0 334.759 3.828 50 5 EHBARN Cc1ccc(Sc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])cc1 ZINC000000265892 563989891 /nfs/dbraw/zinc/98/98/91/563989891.db2.gz YPRWBCIJAZDVIK-UHFFFAOYSA-N 0 0 326.377 3.906 50 5 EHBARN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000000307289 563990809 /nfs/dbraw/zinc/99/08/09/563990809.db2.gz IWPUJCNISALKNJ-JTQLQIEISA-N 0 0 349.184 3.848 50 5 EHBARN CC1CCN(c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000061074914 563992604 /nfs/dbraw/zinc/99/26/04/563992604.db2.gz XVFBCKKBPOJUQJ-UHFFFAOYSA-N 0 0 340.427 3.516 50 5 EHBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(F)cc1 ZINC000005049677 563994029 /nfs/dbraw/zinc/99/40/29/563994029.db2.gz YLIDWNLCNJRKPW-UHFFFAOYSA-N 0 0 336.278 3.688 50 5 EHBARN O=C(c1ccoc1)N1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000024206630 563997743 /nfs/dbraw/zinc/99/77/43/563997743.db2.gz IUGZKYFJKZUKDG-UHFFFAOYSA-N 0 0 349.774 3.558 50 5 EHBARN O=C(NCCn1ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000427852 563998842 /nfs/dbraw/zinc/99/88/42/563998842.db2.gz GILZMWBFQAZZAT-UHFFFAOYSA-N 0 0 343.770 3.633 50 5 EHBARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000441509 563999523 /nfs/dbraw/zinc/99/95/23/563999523.db2.gz BDIKFBKKFIHXSB-QHHAFSJGSA-N 0 0 346.726 3.629 50 5 EHBARN Cc1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000000463001 564000828 /nfs/dbraw/zinc/00/08/28/564000828.db2.gz OJBMBKSKNVRLHO-CQSZACIVSA-N 0 0 328.368 3.926 50 5 EHBARN C[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C1(Br)Br ZINC000000500275 564018984 /nfs/dbraw/zinc/01/89/84/564018984.db2.gz OJUKEDPMMWQXBR-RCOVLWMOSA-N 0 0 334.995 3.814 50 5 EHBARN O=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000000586083 564024558 /nfs/dbraw/zinc/02/45/58/564024558.db2.gz MZCOYWUIPGNIER-UHFFFAOYSA-N 0 0 336.141 3.749 50 5 EHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCOc1cccc(Cl)c1 ZINC000007978942 564034611 /nfs/dbraw/zinc/03/46/11/564034611.db2.gz VMYOLOHCVOIYRP-RMKNXTFCSA-N 0 0 347.754 3.884 50 5 EHBARN COc1ccc(CN(C)c2ccc([N+](=O)[O-])c3cccnc32)cc1F ZINC000024987791 564050107 /nfs/dbraw/zinc/05/01/07/564050107.db2.gz HHTVHTJUMCYYQA-UHFFFAOYSA-N 0 0 341.342 3.927 50 5 EHBARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000994336 564053822 /nfs/dbraw/zinc/05/38/22/564053822.db2.gz OILGYSWMUMPDEK-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000001021596 564054125 /nfs/dbraw/zinc/05/41/25/564054125.db2.gz DCLJDJXXIUQHAX-CYBMUJFWSA-N 0 0 348.424 3.758 50 5 EHBARN Cc1cccn2cc(COC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc12 ZINC000012783005 564070114 /nfs/dbraw/zinc/07/01/14/564070114.db2.gz DHRFHISRZJTASD-UHFFFAOYSA-N 0 0 345.742 3.561 50 5 EHBARN CCc1ccc(CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000012934387 564079164 /nfs/dbraw/zinc/07/91/64/564079164.db2.gz YLNHCSTUYHNIEJ-UHFFFAOYSA-N 0 0 342.395 3.656 50 5 EHBARN Cc1ccc(NC(=O)c2c(C)c3ccccc3oc2=O)cc1[N+](=O)[O-] ZINC000075105597 564080091 /nfs/dbraw/zinc/08/00/91/564080091.db2.gz YGRGUCBVZPRQDX-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN CC(C)CS(=O)(=O)c1cc([N+](=O)[O-])cc2[nH]c(-c3ccco3)cc21 ZINC000000126534 564082474 /nfs/dbraw/zinc/08/24/74/564082474.db2.gz AVKOUBBSVPBEEX-UHFFFAOYSA-N 0 0 348.380 3.766 50 5 EHBARN CSc1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000006646425 564095070 /nfs/dbraw/zinc/09/50/70/564095070.db2.gz DVBYCOMPHJPUCV-UHFFFAOYSA-N 0 0 330.409 3.897 50 5 EHBARN COc1cccc(N[C@@H](CNc2ccc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000170598749 564109240 /nfs/dbraw/zinc/10/92/40/564109240.db2.gz PYTBOWXZPQRERN-INIZCTEOSA-N 0 0 344.415 3.937 50 5 EHBARN CCOc1ccc(-c2nc(Cn3c(C)ncc3[N+](=O)[O-])cs2)cc1 ZINC000065694111 564109420 /nfs/dbraw/zinc/10/94/20/564109420.db2.gz WVWIGOSZPNFLFQ-UHFFFAOYSA-N 0 0 344.396 3.670 50 5 EHBARN Cc1ccc2c(c1)CCCN2C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000065717265 564109851 /nfs/dbraw/zinc/10/98/51/564109851.db2.gz QVVXURPONPFEDH-UHFFFAOYSA-N 0 0 349.390 3.837 50 5 EHBARN Cc1cccc(C(=O)NCCc2nc(C(C)(C)C)cs2)c1[N+](=O)[O-] ZINC000089688879 564113093 /nfs/dbraw/zinc/11/30/93/564113093.db2.gz APBUEFULTYGZQC-UHFFFAOYSA-N 0 0 347.440 3.630 50 5 EHBARN O=[N+]([O-])c1cccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000017068117 564116318 /nfs/dbraw/zinc/11/63/18/564116318.db2.gz VVYWYAQWELULRA-UHFFFAOYSA-N 0 0 331.441 3.850 50 5 EHBARN O=[N+]([O-])c1ccccc1OCCCCOc1ccccc1[N+](=O)[O-] ZINC000002164713 564120165 /nfs/dbraw/zinc/12/01/65/564120165.db2.gz UCELHKBWYHTDNR-UHFFFAOYSA-N 0 0 332.312 3.741 50 5 EHBARN Cc1cnc(N2CCC(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000241586392 564123154 /nfs/dbraw/zinc/12/31/54/564123154.db2.gz OVPSBDVRVPFXOV-UHFFFAOYSA-N 0 0 343.358 3.537 50 5 EHBARN Cc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002248814 564125307 /nfs/dbraw/zinc/12/53/07/564125307.db2.gz ULMDDAFQFPUJOC-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])Nc1cccc2ncccc21 ZINC000096232212 564146081 /nfs/dbraw/zinc/14/60/81/564146081.db2.gz SQGUNBGRHUNBEY-UHFFFAOYSA-N 0 0 346.346 3.736 50 5 EHBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccs3)nc21 ZINC000002474405 564149698 /nfs/dbraw/zinc/14/96/98/564149698.db2.gz SWKPYGXXBBGTGU-UHFFFAOYSA-N 0 0 335.366 3.527 50 5 EHBARN CC(C)c1ccc(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000002897321 564152948 /nfs/dbraw/zinc/15/29/48/564152948.db2.gz ZYZMORLKVZPEMC-UHFFFAOYSA-N 0 0 344.323 3.983 50 5 EHBARN Cc1c(C(=O)NCCSCc2ccccc2)cccc1[N+](=O)[O-] ZINC000002980890 564154040 /nfs/dbraw/zinc/15/40/40/564154040.db2.gz TWAYFDNOKZTGMF-UHFFFAOYSA-N 0 0 330.409 3.566 50 5 EHBARN Cc1ccc(-c2ncc3c(n2)CCN(c2ccc([N+](=O)[O-])cc2)C3)cc1 ZINC000004052630 564160271 /nfs/dbraw/zinc/16/02/71/564160271.db2.gz NSVJQLFHXKOJJA-UHFFFAOYSA-N 0 0 346.390 3.923 50 5 EHBARN CCCNc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000008586801 564165883 /nfs/dbraw/zinc/16/58/83/564165883.db2.gz GKCOFOOIJVSWBE-UHFFFAOYSA-N 0 0 325.328 3.529 50 5 EHBARN CC(C)c1nnc(COc2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000069420393 564169397 /nfs/dbraw/zinc/16/93/97/564169397.db2.gz UBJLZHIXDWNEMW-UHFFFAOYSA-N 0 0 331.250 3.699 50 5 EHBARN COc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C)cc1SC ZINC000069744890 564171975 /nfs/dbraw/zinc/17/19/75/564171975.db2.gz RXFWNNGMRWPINR-UHFFFAOYSA-N 0 0 346.408 3.564 50 5 EHBARN Cc1ccc(-c2nc(COC(=O)c3ccc([N+](=O)[O-])o3)cs2)o1 ZINC000042232003 564174768 /nfs/dbraw/zinc/17/47/68/564174768.db2.gz LLQSSPWVNBKHEL-UHFFFAOYSA-N 0 0 334.309 3.570 50 5 EHBARN CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000074019604 564176442 /nfs/dbraw/zinc/17/64/42/564176442.db2.gz MQQZDZLSRCZIHM-LBPRGKRZSA-N 0 0 331.397 3.524 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000004696286 210250654 /nfs/dbraw/zinc/25/06/54/210250654.db2.gz HXHJQXGTHRDBBQ-UHFFFAOYSA-N 0 0 341.367 3.750 50 5 EHBARN O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2)CC1 ZINC000056459130 214376166 /nfs/dbraw/zinc/37/61/66/214376166.db2.gz OFSFVWOTYRGJKH-UHFFFAOYSA-N 0 0 339.395 3.684 50 5 EHBARN CCCC[C@H](CC)CNC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004600069 210230404 /nfs/dbraw/zinc/23/04/04/210230404.db2.gz QHDZIPRFYPIEIY-AWEZNQCLSA-N 0 0 349.431 3.646 50 5 EHBARN Cc1ccccc1Nc1c2c(ccc1[N+](=O)[O-])=NC1(CCCCC1)N=2 ZINC000100385288 219098703 /nfs/dbraw/zinc/09/87/03/219098703.db2.gz YAMRRJLJTCEUOF-UHFFFAOYSA-N 0 0 336.395 3.560 50 5 EHBARN Cc1[nH]c2ccc(CNc3nc4ccccn4c3[N+](=O)[O-])cc2c1C ZINC000064947694 214814772 /nfs/dbraw/zinc/81/47/72/214814772.db2.gz HTXQBOBVDPVXPC-UHFFFAOYSA-N 0 0 335.367 3.953 50 5 EHBARN CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000004187832 210142715 /nfs/dbraw/zinc/14/27/15/210142715.db2.gz XOWWZTGBLIPACU-UHFFFAOYSA-N 0 0 340.379 3.825 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000004070201 210112397 /nfs/dbraw/zinc/11/23/97/210112397.db2.gz SNLQVUKKKKMNSW-UHFFFAOYSA-N 0 0 327.159 3.671 50 5 EHBARN CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004040999 210105644 /nfs/dbraw/zinc/10/56/44/210105644.db2.gz KJXYLPLXFZOTDY-IZZDOVSWSA-N 0 0 342.351 3.654 50 5 EHBARN Cc1ccc(Nc2c3nonc3ccc2[N+](=O)[O-])c(Br)c1 ZINC000004013427 210099545 /nfs/dbraw/zinc/09/95/45/210099545.db2.gz UVUYNTLKSCGIGN-UHFFFAOYSA-N 0 0 349.144 3.946 50 5 EHBARN O=C1CCCC2=Nc3ncnn3[C@@H](c3cc([N+](=O)[O-])ccc3Cl)C12 ZINC000102672332 219221561 /nfs/dbraw/zinc/22/15/61/219221561.db2.gz MGTCZVTZBREPJX-AWEZNQCLSA-N 0 0 345.746 3.511 50 5 EHBARN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2n1 ZINC000036393336 213096258 /nfs/dbraw/zinc/09/62/58/213096258.db2.gz NMRWLACSDSTGGT-UHFFFAOYSA-N 0 0 325.299 3.843 50 5 EHBARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000032837446 212853897 /nfs/dbraw/zinc/85/38/97/212853897.db2.gz CEIQTNGBWSBQOA-AAEUAGOBSA-N 0 0 329.356 3.975 50 5 EHBARN O=[N+]([O-])c1c(N[C@H](c2ccccc2)c2ccccn2)nc2ccccn21 ZINC000029852899 212682448 /nfs/dbraw/zinc/68/24/48/212682448.db2.gz OFIWFQMHKJXOBL-QGZVFWFLSA-N 0 0 345.362 3.839 50 5 EHBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(Cl)c1Cl ZINC000000231926 209496749 /nfs/dbraw/zinc/49/67/49/209496749.db2.gz DHHQOQSRCJFSSU-UHFFFAOYSA-N 0 0 337.118 3.702 50 5 EHBARN O=C(COc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000063675 209395562 /nfs/dbraw/zinc/39/55/62/209395562.db2.gz WLGJUQNNFDPNDK-UHFFFAOYSA-N 0 0 346.338 3.931 50 5 EHBARN CC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000025830009 212498654 /nfs/dbraw/zinc/49/86/54/212498654.db2.gz UYGJACYREMWCSW-LBPRGKRZSA-N 0 0 343.383 3.576 50 5 EHBARN Cc1c(NC(=O)c2cccc(Nc3ncccn3)c2)cccc1[N+](=O)[O-] ZINC000024549459 212425452 /nfs/dbraw/zinc/42/54/52/212425452.db2.gz FOJOOZNSFBOCBJ-UHFFFAOYSA-N 0 0 349.350 3.689 50 5 EHBARN CCNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-] ZINC000020897729 212183766 /nfs/dbraw/zinc/18/37/66/212183766.db2.gz JBAAMXLAMMNRAE-UHFFFAOYSA-N 0 0 340.339 3.752 50 5 EHBARN CC1(C)[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000080648250 217322089 /nfs/dbraw/zinc/32/20/89/217322089.db2.gz BJXVEENVLOXDSH-WQAKAFBOSA-N 0 0 330.306 3.839 50 5 EHBARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000012859501 211470390 /nfs/dbraw/zinc/47/03/90/211470390.db2.gz QTLSKAASRCRKSN-BETUJISGSA-N 0 0 328.368 3.973 50 5 EHBARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000011027014 211200804 /nfs/dbraw/zinc/20/08/04/211200804.db2.gz XFHUVRDOFXUZPY-XYPHTWIQSA-N 0 0 335.400 3.978 50 5 EHBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3)n2)c1 ZINC000006276267 210611420 /nfs/dbraw/zinc/61/14/20/210611420.db2.gz ARVAQNQTQSMCPQ-UHFFFAOYSA-N 0 0 336.355 3.763 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000005090855 210387626 /nfs/dbraw/zinc/38/76/26/210387626.db2.gz YPEBUBJFZRKRPU-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000005128073 210396143 /nfs/dbraw/zinc/39/61/43/210396143.db2.gz FQQMCEPNCQUSIB-UHFFFAOYSA-N 0 0 341.279 3.661 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)c(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000004990268 210352129 /nfs/dbraw/zinc/35/21/29/210352129.db2.gz JHZFTJHTXXOVMY-UHFFFAOYSA-N 0 0 345.830 3.566 50 5 EHBARN CCOc1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000004981934 210348102 /nfs/dbraw/zinc/34/81/02/210348102.db2.gz FLRJWWHGAMCKTP-UHFFFAOYSA-N 0 0 326.308 3.844 50 5 EHBARN COc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)c1 ZINC000004995567 210354698 /nfs/dbraw/zinc/35/46/98/210354698.db2.gz YXOSFBQUDPSKJB-UHFFFAOYSA-N 0 0 340.295 3.803 50 5 EHBARN CCC[C@@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000004814270 210285447 /nfs/dbraw/zinc/28/54/47/210285447.db2.gz AJQHBEINXCOAQM-SECBINFHSA-N 0 0 334.401 3.911 50 5 EHBARN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004840001 210295196 /nfs/dbraw/zinc/29/51/96/210295196.db2.gz IFYZPBVNBGLDQR-UHFFFAOYSA-N 0 0 340.257 3.875 50 5 EHBARN CCCCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004814291 210284953 /nfs/dbraw/zinc/28/49/53/210284953.db2.gz WXICEWIFDPVOCP-UHFFFAOYSA-N 0 0 334.397 3.590 50 5 EHBARN Cc1cc(C)c(NC(=O)c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 ZINC000004821223 210287688 /nfs/dbraw/zinc/28/76/88/210287688.db2.gz JIWHXKLRHZNJLE-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000004750277 210271116 /nfs/dbraw/zinc/27/11/16/210271116.db2.gz UZHWDXZKKVESPQ-UHFFFAOYSA-N 0 0 327.159 3.671 50 5 EHBARN Cc1ccc(NC(=O)c2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000015409957 564062019 /nfs/dbraw/zinc/06/20/19/564062019.db2.gz BLXPTKWVSJIAOY-UHFFFAOYSA-N 0 0 341.186 3.980 50 5 EHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1C2CC3CC(C2)CC1C3 ZINC000000380204 563841984 /nfs/dbraw/zinc/84/19/84/563841984.db2.gz BYWOSWHVXMNXHX-CJQSEUFMSA-N 0 0 328.412 3.785 50 5 EHBARN CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000119855448 563983819 /nfs/dbraw/zinc/98/38/19/563983819.db2.gz MBWQNOXVTINEIO-VIFPVBQESA-N 0 0 339.442 3.817 50 5 EHBARN Cc1c(COC(=O)[C@H]2C[C@@H]2c2ccccc2F)cccc1[N+](=O)[O-] ZINC000060941341 563992111 /nfs/dbraw/zinc/99/21/11/563992111.db2.gz GBAOXHLCKHDLIR-CABCVRRESA-N 0 0 329.327 3.889 50 5 EHBARN O=C(Cn1c2ccccc2c2nc3ccccc3nc21)NC1CCCC1 ZINC000011907663 563995418 /nfs/dbraw/zinc/99/54/18/563995418.db2.gz XZTKMDACPJILMW-UHFFFAOYSA-N 0 0 344.418 3.797 50 5 EHBARN Cc1cc(C(=O)Nc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000000436587 563999320 /nfs/dbraw/zinc/99/93/20/563999320.db2.gz XRTHXRYDBTUIDN-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1Br ZINC000000437414 563999313 /nfs/dbraw/zinc/99/93/13/563999313.db2.gz ZIVFSBOQLVRVRI-UHFFFAOYSA-N 0 0 339.120 3.749 50 5 EHBARN Cc1ccc(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000000464713 564000799 /nfs/dbraw/zinc/00/07/99/564000799.db2.gz BZEOYWZMYXZUNW-UHFFFAOYSA-N 0 0 327.365 3.694 50 5 EHBARN O=C(NCc1ccc(OC(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000018181097 564018608 /nfs/dbraw/zinc/01/86/08/564018608.db2.gz GREYLNZOMPOPDY-UHFFFAOYSA-N 0 0 337.282 3.518 50 5 EHBARN COc1ccccc1-c1cc(=O)oc(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000000519931 564020557 /nfs/dbraw/zinc/02/05/57/564020557.db2.gz MKCLEFDYFVSDFJ-UHFFFAOYSA-N 0 0 338.319 3.594 50 5 EHBARN CCc1ncc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 ZINC000225495709 564047266 /nfs/dbraw/zinc/04/72/66/564047266.db2.gz JRFNNWYPHAEZFB-UHFFFAOYSA-N 0 0 328.375 3.993 50 5 EHBARN CC(NC(=O)Nc1cccc([N+](=O)[O-])c1)(C(F)(F)F)C(F)(F)F ZINC000001001351 564054010 /nfs/dbraw/zinc/05/40/10/564054010.db2.gz WIXYFGALAXMUDU-UHFFFAOYSA-N 0 0 345.199 3.600 50 5 EHBARN COc1ccc(OCCCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000005815026 564056027 /nfs/dbraw/zinc/05/60/27/564056027.db2.gz JNSOKVNCPIQFLH-UHFFFAOYSA-N 0 0 344.367 3.710 50 5 EHBARN Cn1ccnc1[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000012602413 564060467 /nfs/dbraw/zinc/06/04/67/564060467.db2.gz SAURGBGWUXGLIQ-INIZCTEOSA-N 0 0 326.331 3.669 50 5 EHBARN CCOc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000001290531 564063000 /nfs/dbraw/zinc/06/30/00/564063000.db2.gz OLVOSMXQERWMPQ-UHFFFAOYSA-N 0 0 346.408 3.865 50 5 EHBARN COc1cc(CC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000025834192 564064203 /nfs/dbraw/zinc/06/42/03/564064203.db2.gz STHVDDONAOUJTO-AWEZNQCLSA-N 0 0 342.395 3.674 50 5 EHBARN Cc1nn(CCCC(=O)Nc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000001429828 564066922 /nfs/dbraw/zinc/06/69/22/564066922.db2.gz LFGZFBSYQUWNJC-UHFFFAOYSA-N 0 0 344.415 3.950 50 5 EHBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(CC(F)(F)F)C1CC1 ZINC000084490342 564068244 /nfs/dbraw/zinc/06/82/44/564068244.db2.gz QVVVTJBSEWGWJL-UHFFFAOYSA-N 0 0 344.314 3.976 50 5 EHBARN COCc1ccc([C@H]2CCCN2c2cccc(OC)c2[N+](=O)[O-])o1 ZINC000185733468 564074721 /nfs/dbraw/zinc/07/47/21/564074721.db2.gz LQMJVESJINTRJU-CYBMUJFWSA-N 0 0 332.356 3.684 50 5 EHBARN O=[N+]([O-])c1ccc(OCc2nnc(Cc3ccccc3)o2)c(Cl)c1 ZINC000064308171 564087506 /nfs/dbraw/zinc/08/75/06/564087506.db2.gz OXMLFESKTQSVMG-UHFFFAOYSA-N 0 0 345.742 3.801 50 5 EHBARN Cn1ccnc1C(=O)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000064430247 564091101 /nfs/dbraw/zinc/09/11/01/564091101.db2.gz MCBDQFCSHZXSJK-UHFFFAOYSA-N 0 0 342.399 3.694 50 5 EHBARN Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002054520 564093394 /nfs/dbraw/zinc/09/33/94/564093394.db2.gz YHUOUAQXKQSEAI-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000006626157 564094687 /nfs/dbraw/zinc/09/46/87/564094687.db2.gz RQIZGRKAGRLGLK-UHFFFAOYSA-N 0 0 348.163 3.669 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(C)c(C)c1 ZINC000007222843 564105887 /nfs/dbraw/zinc/10/58/87/564105887.db2.gz AVRUBVKRFVRQBB-ZDUSSCGKSA-N 0 0 343.383 3.659 50 5 EHBARN COc1ccccc1CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017072632 564116336 /nfs/dbraw/zinc/11/63/36/564116336.db2.gz LCITUVIGRQIHJP-UHFFFAOYSA-N 0 0 349.774 3.621 50 5 EHBARN C[C@@H](Sc1nnc(C(F)(F)F)n1C)c1cccc([N+](=O)[O-])c1 ZINC000007817458 564124029 /nfs/dbraw/zinc/12/40/29/564124029.db2.gz SFMDTIZZQWIOMZ-SSDOTTSWSA-N 0 0 332.307 3.595 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc2ccccc2c(=O)o1 ZINC000253426975 564131171 /nfs/dbraw/zinc/13/11/71/564131171.db2.gz JYVZHLANJKVTRL-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN CC(=O)Nc1ccc(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1 ZINC000390835046 564138960 /nfs/dbraw/zinc/13/89/60/564138960.db2.gz BRKBOBNFJHRYIA-UHFFFAOYSA-N 0 0 341.245 3.759 50 5 EHBARN Nn1cc(-c2ccccc2)nc1S/C=C\c1ccc([N+](=O)[O-])o1 ZINC000096936377 564149008 /nfs/dbraw/zinc/14/90/08/564149008.db2.gz GPYLWFROIRTCLY-HJWRWDBZSA-N 0 0 328.353 3.528 50 5 EHBARN Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000002737151 564152332 /nfs/dbraw/zinc/15/23/32/564152332.db2.gz RGDDRCOOWGQLOX-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN CCOC(=O)/C=C/c1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 ZINC000003116961 564155228 /nfs/dbraw/zinc/15/52/28/564155228.db2.gz LSKSOIAWGHQJDW-GFULKKFKSA-N 0 0 328.324 3.638 50 5 EHBARN Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000003253588 564156599 /nfs/dbraw/zinc/15/65/99/564156599.db2.gz MWZVPIWQQSIGNW-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN Cc1cc2c(o1)CC(C)(C)C[C@H]2Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058130520 564157742 /nfs/dbraw/zinc/15/77/42/564157742.db2.gz LFJPJJQBGSATBP-CQSZACIVSA-N 0 0 343.383 3.721 50 5 EHBARN Cc1nn(C)c(NCC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000058355106 564158848 /nfs/dbraw/zinc/15/88/48/564158848.db2.gz NSCJHJKVNIPKMG-UHFFFAOYSA-N 0 0 336.395 3.881 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](SC)c1ccccc1 ZINC000172361019 564167524 /nfs/dbraw/zinc/16/75/24/564167524.db2.gz UCEUUUZKYMCUAE-HNNXBMFYSA-N 0 0 332.381 3.646 50 5 EHBARN CCc1cccc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000015243186 568419749 /nfs/dbraw/zinc/41/97/49/568419749.db2.gz LESNKXYDYRJDDD-UHFFFAOYSA-N 0 0 348.424 3.883 50 5 EHBARN CC[C@H]1C[C@@H](CC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCO1 ZINC000585125052 1137014701 /nfs/dbraw/zinc/01/47/01/1137014701.db2.gz FEORFQSLWXVVQD-STQMWFEESA-N 0 0 343.383 3.677 50 5 EHBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccnc1Cl ZINC000004733275 210263874 /nfs/dbraw/zinc/26/38/74/210263874.db2.gz UTIYFHOCSJSYEB-GQCTYLIASA-N 0 0 338.150 3.949 50 5 EHBARN Cc1ccccc1[C@@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000052486461 214130166 /nfs/dbraw/zinc/13/01/66/214130166.db2.gz IPQYTQCNABHLAW-ZDUSSCGKSA-N 0 0 328.397 3.954 50 5 EHBARN CCCCc1nc(-c2ccc(Oc3c([N+](=O)[O-])ncn3C)cc2)no1 ZINC000054981895 214262332 /nfs/dbraw/zinc/26/23/32/214262332.db2.gz BCTAFFSXBSTBDN-UHFFFAOYSA-N 0 0 343.343 3.513 50 5 EHBARN c1ccc2c(c1)[nH]c1c2c(NCCN2CCOCC2)nc2ccccc12 ZINC000004658741 210239944 /nfs/dbraw/zinc/23/99/44/210239944.db2.gz SETATRHSLPECHQ-UHFFFAOYSA-N 0 0 346.434 3.613 50 5 EHBARN CCn1c2ccccc2nc1Sc1nc2ccccn2c1[N+](=O)[O-] ZINC000058304015 214538285 /nfs/dbraw/zinc/53/82/85/214538285.db2.gz NITNNXUKSTVEBO-UHFFFAOYSA-N 0 0 339.380 3.763 50 5 EHBARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000004450244 210193981 /nfs/dbraw/zinc/19/39/81/210193981.db2.gz ZOKXEXIAJFDXMA-UHFFFAOYSA-N 0 0 335.747 3.694 50 5 EHBARN COc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc21 ZINC000004420691 210190857 /nfs/dbraw/zinc/19/08/57/210190857.db2.gz OKINQXFYNTUSMH-UHFFFAOYSA-N 0 0 340.295 3.803 50 5 EHBARN O=C(NCc1ccc(F)c(Cl)c1)Nc1csc([N+](=O)[O-])c1 ZINC000004389478 210186022 /nfs/dbraw/zinc/18/60/22/210186022.db2.gz GLMCWFXSRGSSOS-UHFFFAOYSA-N 0 0 329.740 3.771 50 5 EHBARN Nc1ccccc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004305979 210164753 /nfs/dbraw/zinc/16/47/53/210164753.db2.gz KXPUAZODBMOVCC-UHFFFAOYSA-N 0 0 342.233 3.848 50 5 EHBARN O=[N+]([O-])c1c2nonc2ccc1Nc1ccc(Br)cc1 ZINC000003879038 210083721 /nfs/dbraw/zinc/08/37/21/210083721.db2.gz XQWSKQVIPXYGNY-UHFFFAOYSA-N 0 0 335.117 3.637 50 5 EHBARN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000003615258 210066140 /nfs/dbraw/zinc/06/61/40/210066140.db2.gz DNINYANDPOYCOD-UHFFFAOYSA-N 0 0 339.178 3.874 50 5 EHBARN COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000003610351 210066026 /nfs/dbraw/zinc/06/60/26/210066026.db2.gz SCNYLHZYGCLEHS-UHFFFAOYSA-N 0 0 343.364 3.946 50 5 EHBARN Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000003548096 210051263 /nfs/dbraw/zinc/05/12/63/210051263.db2.gz YGQPRWKOLJBWLR-UHFFFAOYSA-N 0 0 338.319 3.915 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Oc1cccc(Br)c1 ZINC000042487396 213507891 /nfs/dbraw/zinc/50/78/91/213507891.db2.gz HEARRWXLXUIZBY-UHFFFAOYSA-N 0 0 336.141 3.505 50 5 EHBARN O=C(NCc1ccccn1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000002903122 209938911 /nfs/dbraw/zinc/93/89/11/209938911.db2.gz BLCOITNPQSHBLK-UHFFFAOYSA-N 0 0 347.783 3.788 50 5 EHBARN COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000001059095 209705396 /nfs/dbraw/zinc/70/53/96/209705396.db2.gz ICVCIMNCRAZYPN-UHFFFAOYSA-N 0 0 331.715 3.974 50 5 EHBARN COc1cc([N+](=O)[O-])c(C(=O)N(C)C2CCCCC2)cc1SC ZINC000069667253 215529494 /nfs/dbraw/zinc/52/94/94/215529494.db2.gz CEXANPPHUVBCOZ-UHFFFAOYSA-N 0 0 338.429 3.730 50 5 EHBARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000507635 209641217 /nfs/dbraw/zinc/64/12/17/209641217.db2.gz PMHVYPKNSLANMB-AWEZNQCLSA-N 0 0 331.368 3.739 50 5 EHBARN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1nc2ccccc2s1 ZINC000036394742 213097460 /nfs/dbraw/zinc/09/74/60/213097460.db2.gz IYGBPKMDMOZQOO-UHFFFAOYSA-N 0 0 343.408 3.715 50 5 EHBARN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000000434512 209598759 /nfs/dbraw/zinc/59/87/59/209598759.db2.gz VLUVIGWDOVSQDV-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN O=[N+]([O-])c1cccnc1N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000032825113 212851056 /nfs/dbraw/zinc/85/10/56/212851056.db2.gz CZFDVVSBTSGTTE-MRXNPFEDSA-N 0 0 349.394 3.724 50 5 EHBARN Cc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000361356 209550968 /nfs/dbraw/zinc/55/09/68/209550968.db2.gz ANCNBIWJHCMJDX-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cccc(F)c1 ZINC000000296582 209522049 /nfs/dbraw/zinc/52/20/49/209522049.db2.gz KLTKKWBUIBXNGW-AUWJEWJLSA-N 0 0 346.701 3.732 50 5 EHBARN Cc1cc(C)c2c(n1)sc1c3nc(NC4CC4)sc3c(=O)[nH]c12 ZINC000020607283 212153903 /nfs/dbraw/zinc/15/39/03/212153903.db2.gz LEWOPYICDUCFPZ-UHFFFAOYSA-N 0 0 342.449 3.939 50 5 EHBARN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000253392108 243886818 /nfs/dbraw/zinc/88/68/18/243886818.db2.gz AUYGYWRJUAOBBQ-UHFFFAOYSA-N 0 0 339.273 3.675 50 5 EHBARN Nc1nc2c(c3c4cc(Br)ccc4oc(=O)c13)CCCC2 ZINC000020481170 212136819 /nfs/dbraw/zinc/13/68/19/212136819.db2.gz BVQIBJSEPUUHHZ-UHFFFAOYSA-N 0 0 345.196 3.565 50 5 EHBARN CCSc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000079026679 217176881 /nfs/dbraw/zinc/17/68/81/217176881.db2.gz COBQXVYTRFTLDF-UHFFFAOYSA-N 0 0 332.381 3.724 50 5 EHBARN O=[N+]([O-])c1ccc(CCSc2nccn2Cc2ccccn2)cc1 ZINC000079037924 217180067 /nfs/dbraw/zinc/18/00/67/217180067.db2.gz DSAJSFFGAZMILV-UHFFFAOYSA-N 0 0 340.408 3.569 50 5 EHBARN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000012137447 211301589 /nfs/dbraw/zinc/30/15/89/211301589.db2.gz IEXYDHYURIBKSJ-INIZCTEOSA-N 0 0 344.367 3.708 50 5 EHBARN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1Cl ZINC000010609845 211182080 /nfs/dbraw/zinc/18/20/80/211182080.db2.gz JHBNTQYOTIZKNR-NSHDSACASA-N 0 0 348.786 3.966 50 5 EHBARN Cc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1[N+](=O)[O-] ZINC000008814638 211008909 /nfs/dbraw/zinc/00/89/09/211008909.db2.gz NTWASNFZYWLMHJ-UHFFFAOYSA-N 0 0 325.368 3.756 50 5 EHBARN Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000008562284 210967344 /nfs/dbraw/zinc/96/73/44/210967344.db2.gz AIJOXRBQVRAUKB-NSHDSACASA-N 0 0 334.759 3.963 50 5 EHBARN COc1ccc([N+](=O)[O-])c(C(=O)NC2(C(F)(F)F)CCCCC2)c1 ZINC000095960089 218465819 /nfs/dbraw/zinc/46/58/19/218465819.db2.gz OUWNQUXTFGUTAU-UHFFFAOYSA-N 0 0 346.305 3.598 50 5 EHBARN CNc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000005935313 210562586 /nfs/dbraw/zinc/56/25/86/210562586.db2.gz ZQZKCLCNZRNYLY-WUXMJOGZSA-N 0 0 329.743 3.783 50 5 EHBARN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000005109384 210391392 /nfs/dbraw/zinc/39/13/92/210391392.db2.gz SIEJXQUVMQGZMG-CQSZACIVSA-N 0 0 328.368 3.926 50 5 EHBARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000005094703 210387758 /nfs/dbraw/zinc/38/77/58/210387758.db2.gz SLQNWAIBRIIDKN-UHFFFAOYSA-N 0 0 344.367 3.953 50 5 EHBARN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000005094222 210387941 /nfs/dbraw/zinc/38/79/41/210387941.db2.gz TVOIZNASHKTGCI-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN CC(C)(C)c1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 ZINC000007005823 208571096 /nfs/dbraw/zinc/57/10/96/208571096.db2.gz BTLALHVDJBGUDV-UHFFFAOYSA-N 0 0 337.379 3.651 50 5 EHBARN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000004846679 210299525 /nfs/dbraw/zinc/29/95/25/210299525.db2.gz DYJRQCCTCOEEBU-NSHDSACASA-N 0 0 334.759 3.963 50 5 EHBARN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000004846680 210298608 /nfs/dbraw/zinc/29/86/08/210298608.db2.gz DYJRQCCTCOEEBU-LLVKDONJSA-N 0 0 334.759 3.963 50 5 EHBARN CCC[C@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000004814271 210285243 /nfs/dbraw/zinc/28/52/43/210285243.db2.gz AJQHBEINXCOAQM-VIFPVBQESA-N 0 0 334.401 3.911 50 5 EHBARN O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175720505 257954343 /nfs/dbraw/zinc/95/43/43/257954343.db2.gz UAWNTBNXTUAKKV-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN CC[C@](C)(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000151168701 257956525 /nfs/dbraw/zinc/95/65/25/257956525.db2.gz IAELSCKKIWJCJS-HNNXBMFYSA-N 0 0 337.376 3.554 50 5 EHBARN Cc1nc(Cc2nnc(Sc3ccc([N+](=O)[O-])c(C)c3)o2)cs1 ZINC000301129264 258016740 /nfs/dbraw/zinc/01/67/40/258016740.db2.gz YZTBEAWOKSWZPL-UHFFFAOYSA-N 0 0 348.409 3.793 50 5 EHBARN CCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cc(=O)o2)cc1 ZINC000000455860 258048340 /nfs/dbraw/zinc/04/83/40/258048340.db2.gz ZPIOCBASFUWOKK-UHFFFAOYSA-N 0 0 338.319 3.676 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000162808097 258070472 /nfs/dbraw/zinc/07/04/72/258070472.db2.gz NGWSKRQKGPCRDR-LBPRGKRZSA-N 0 0 346.412 3.771 50 5 EHBARN CCOc1cc(CSc2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000276929610 520732642 /nfs/dbraw/zinc/73/26/42/520732642.db2.gz QLYNZJMEXIKDLR-UHFFFAOYSA-N 0 0 348.428 3.604 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(F)c2)no1 ZINC000032833401 563759714 /nfs/dbraw/zinc/75/97/14/563759714.db2.gz OCWPXZZEXJJSCK-UHFFFAOYSA-N 0 0 327.271 3.641 50 5 EHBARN Cc1ccc(-c2nc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)o1 ZINC000032922841 563824836 /nfs/dbraw/zinc/82/48/36/563824836.db2.gz IGMOETFAAWJQSA-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN Cc1nn(C)c(N[C@@H](C)CCc2ccc(OC(C)C)cc2)c1[N+](=O)[O-] ZINC000071968787 563856473 /nfs/dbraw/zinc/85/64/73/563856473.db2.gz IVPRBEUJYXVUGA-ZDUSSCGKSA-N 0 0 346.431 3.857 50 5 EHBARN CC(C)n1cnnc1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000097096797 563967473 /nfs/dbraw/zinc/96/74/73/563967473.db2.gz UMCRFYJAUDQIJJ-UHFFFAOYSA-N 0 0 330.175 3.686 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000097142229 563968186 /nfs/dbraw/zinc/96/81/86/563968186.db2.gz MSGLQKHPNNEDBN-RDJZCZTQSA-N 0 0 341.367 3.637 50 5 EHBARN CCOc1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OC ZINC000000091565 563976570 /nfs/dbraw/zinc/97/65/70/563976570.db2.gz SGTSHXIECYBUIG-SFHVURJKSA-N 0 0 327.336 3.845 50 5 EHBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000000103002 563982183 /nfs/dbraw/zinc/98/21/83/563982183.db2.gz ICZNZVKLSQHGSH-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000180287 563987823 /nfs/dbraw/zinc/98/78/23/563987823.db2.gz WXAXCHQKIJWJON-QGZVFWFLSA-N 0 0 344.392 3.772 50 5 EHBARN COC(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000000184131 563987875 /nfs/dbraw/zinc/98/78/75/563987875.db2.gz JHAFTKCDDPTPIF-UHFFFAOYSA-N 0 0 342.351 3.559 50 5 EHBARN COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000296418 563990217 /nfs/dbraw/zinc/99/02/17/563990217.db2.gz LNVWZDYTMOFFEQ-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN C[C@@H]1CCCCN1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000000374244 563991802 /nfs/dbraw/zinc/99/18/02/563991802.db2.gz RIWNBWGSJTWCOI-CYBMUJFWSA-N 0 0 344.367 3.781 50 5 EHBARN Cc1ccc(CSCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005106867 563994334 /nfs/dbraw/zinc/99/43/34/563994334.db2.gz RLTJIOCVEDYBLZ-UHFFFAOYSA-N 0 0 330.409 3.566 50 5 EHBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005175793 563999971 /nfs/dbraw/zinc/99/99/71/563999971.db2.gz HJAKJMZGMDXFSJ-UHFFFAOYSA-N 0 0 334.803 3.947 50 5 EHBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000467033 564000760 /nfs/dbraw/zinc/00/07/60/564000760.db2.gz SSVUDOAZCKFQPH-UHFFFAOYSA-N 0 0 334.803 3.803 50 5 EHBARN COc1ccc(-c2n[nH]c(C)c2Oc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000005634665 564006788 /nfs/dbraw/zinc/00/67/88/564006788.db2.gz FQZCCQQSOGNUOY-UHFFFAOYSA-N 0 0 341.323 3.800 50 5 EHBARN Cn1ccnc1Sc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000005635121 564006816 /nfs/dbraw/zinc/00/68/16/564006816.db2.gz XIXRIABMGVSODP-UHFFFAOYSA-N 0 0 339.376 3.711 50 5 EHBARN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccn1 ZINC000000527075 564020921 /nfs/dbraw/zinc/02/09/21/564020921.db2.gz GTSUZRJCUKMHSE-UHFFFAOYSA-N 0 0 341.396 3.561 50 5 EHBARN CCc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000000571995 564023584 /nfs/dbraw/zinc/02/35/84/564023584.db2.gz BIQRTIXWAZBEJH-UHFFFAOYSA-N 0 0 347.754 3.850 50 5 EHBARN Cc1c(C(=O)OCc2coc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000005779369 564036852 /nfs/dbraw/zinc/03/68/52/564036852.db2.gz CAPNSPIXYDGSBT-UHFFFAOYSA-N 0 0 344.348 3.977 50 5 EHBARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000005938127 564057166 /nfs/dbraw/zinc/05/71/66/564057166.db2.gz SSZXQQAZXFWARC-NSHDSACASA-N 0 0 333.775 3.996 50 5 EHBARN O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000001314513 564063114 /nfs/dbraw/zinc/06/31/14/564063114.db2.gz ZIBPDDMDPTYFPO-UHFFFAOYSA-N 0 0 342.330 3.579 50 5 EHBARN CC(C)(C)c1nc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000087238857 564068191 /nfs/dbraw/zinc/06/81/91/564068191.db2.gz SNSCGEXDFRCDBM-UHFFFAOYSA-N 0 0 347.440 3.598 50 5 EHBARN O=C(Cc1cccc(F)c1)OCc1ccc([N+](=O)[O-])c2cccnc12 ZINC000012768305 564068313 /nfs/dbraw/zinc/06/83/13/564068313.db2.gz CJMCMWBOHRJZDM-UHFFFAOYSA-N 0 0 340.310 3.568 50 5 EHBARN Cc1ncc(Cl)c(C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000084808855 564070354 /nfs/dbraw/zinc/07/03/54/564070354.db2.gz JUBSCGHXBUYWSF-VIFPVBQESA-N 0 0 335.747 3.573 50 5 EHBARN C[C@H](c1ccccc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012856362 564075535 /nfs/dbraw/zinc/07/55/35/564075535.db2.gz TXWYJCWNVAMWJW-CYBMUJFWSA-N 0 0 328.368 3.654 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nnc(CSc3ccc(O)cc3)o2)cc1 ZINC000064037259 564083709 /nfs/dbraw/zinc/08/37/09/564083709.db2.gz YTPLWWPHIZQAFS-UHFFFAOYSA-N 0 0 329.337 3.643 50 5 EHBARN Cc1cc(C)cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000006476857 564089837 /nfs/dbraw/zinc/08/98/37/564089837.db2.gz HSLJRPOGJBFFIX-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc1O ZINC000096222176 564092408 /nfs/dbraw/zinc/09/24/08/564092408.db2.gz SQVGZDJBXUZYEY-UHFFFAOYSA-N 0 0 347.330 3.944 50 5 biogenic EHBARN Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000192639479 564092480 /nfs/dbraw/zinc/09/24/80/564092480.db2.gz HBNUCPKJRJMFAO-HNNXBMFYSA-N 0 0 341.411 3.671 50 5 EHBARN C[Si](C)(C)C1(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000169828570 564101912 /nfs/dbraw/zinc/10/19/12/564101912.db2.gz IWTDIOUQPWEMIX-UHFFFAOYSA-N 0 0 338.392 3.532 50 5 EHBARN COc1ccccc1CCC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007067481 564104173 /nfs/dbraw/zinc/10/41/73/564104173.db2.gz RWVSDQZPJJOGMD-CQSZACIVSA-N 0 0 342.395 3.756 50 5 EHBARN COc1ccccc1CCC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007067475 564104183 /nfs/dbraw/zinc/10/41/83/564104183.db2.gz RWVSDQZPJJOGMD-AWEZNQCLSA-N 0 0 342.395 3.756 50 5 EHBARN COc1cccc(N[C@H](CNc2ccc([N+](=O)[O-])cn2)C(C)(C)C)c1 ZINC000170598748 564109238 /nfs/dbraw/zinc/10/92/38/564109238.db2.gz PYTBOWXZPQRERN-MRXNPFEDSA-N 0 0 344.415 3.937 50 5 EHBARN O=[N+]([O-])c1c(NCc2ccccc2-n2cccn2)ccc2ncccc21 ZINC000071820803 564111254 /nfs/dbraw/zinc/11/12/54/564111254.db2.gz AGVQLZUDHZDRNA-UHFFFAOYSA-N 0 0 345.362 3.941 50 5 EHBARN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)NC(C)C)n1 ZINC000007814166 564124015 /nfs/dbraw/zinc/12/40/15/564124015.db2.gz OQSIMBFJSIEKMP-UHFFFAOYSA-N 0 0 337.426 3.649 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])o1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000253432495 564131838 /nfs/dbraw/zinc/13/18/38/564131838.db2.gz KTWZMCGIASHKSB-UHFFFAOYSA-N 0 0 332.743 3.771 50 5 EHBARN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000096997630 564149055 /nfs/dbraw/zinc/14/90/55/564149055.db2.gz LQGLMUZCBMRFJN-SNVBAGLBSA-N 0 0 346.337 3.942 50 5 EHBARN CC(=O)c1ccc(NCCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000028625096 564151922 /nfs/dbraw/zinc/15/19/22/564151922.db2.gz CUCBTUVVKASRRO-UHFFFAOYSA-N 0 0 338.367 3.718 50 5 EHBARN C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)C1 ZINC000002785594 564152636 /nfs/dbraw/zinc/15/26/36/564152636.db2.gz FOSBANRDECFAIY-CYBMUJFWSA-N 0 0 344.367 3.639 50 5 EHBARN Cc1ccc(Cl)cc1NC(=O)n1ncc2ccc([N+](=O)[O-])cc21 ZINC000003091313 564155089 /nfs/dbraw/zinc/15/50/89/564155089.db2.gz ISHVIYZPGQTJIZ-UHFFFAOYSA-N 0 0 330.731 3.987 50 5 EHBARN O=C(Nc1ccccc1F)n1nc(Cl)c2ccc([N+](=O)[O-])cc21 ZINC000003091315 564155108 /nfs/dbraw/zinc/15/51/08/564155108.db2.gz OPDOVIRATXUCGS-UHFFFAOYSA-N 0 0 334.694 3.817 50 5 EHBARN C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000003189124 564155712 /nfs/dbraw/zinc/15/57/12/564155712.db2.gz BOAXHUFLNOCEAZ-CYBMUJFWSA-N 0 0 337.335 3.991 50 5 EHBARN O=C1OCC(c2ccc(OC(F)F)cc2)=C1c1ccc([N+](=O)[O-])cc1 ZINC000003291920 564157111 /nfs/dbraw/zinc/15/71/11/564157111.db2.gz JOYUBBBCZJRPBW-UHFFFAOYSA-N 0 0 347.273 3.664 50 5 EHBARN Cc1ccccc1OCCN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000058358178 564158842 /nfs/dbraw/zinc/15/88/42/564158842.db2.gz GRORYDZSUNZNHR-UHFFFAOYSA-N 0 0 337.379 3.967 50 5 EHBARN O=C(OCc1nc2ccccc2o1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008278254 564163978 /nfs/dbraw/zinc/16/39/78/564163978.db2.gz SRVIIUBGAAINBH-UHFFFAOYSA-N 0 0 332.699 3.746 50 5 EHBARN Cc1nc(-c2cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)no1 ZINC000008600661 564165992 /nfs/dbraw/zinc/16/59/92/564165992.db2.gz QHPQBPPTTBBHHJ-UHFFFAOYSA-N 0 0 339.311 3.597 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1SCCc2sccc21 ZINC000074234885 564176449 /nfs/dbraw/zinc/17/64/49/564176449.db2.gz OJPMQJPSFXQPPG-ZDUSSCGKSA-N 0 0 338.385 3.765 50 5 EHBARN C[C@H]1C[C@H](C)CN(C(=S)Sc2ccc([N+](=O)[O-])cc2C=O)C1 ZINC000013574151 1033946496 /nfs/dbraw/zinc/94/64/96/1033946496.db2.gz RRAKSLJSZXGXFL-QWRGUYRKSA-N 0 0 338.454 3.762 50 5 EHBARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004689082 210248148 /nfs/dbraw/zinc/24/81/48/210248148.db2.gz OQNMTLRDPZHWQJ-UHFFFAOYSA-N 0 0 328.368 3.910 50 5 EHBARN Cc1ccc(C(=O)NCCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004119380 210124362 /nfs/dbraw/zinc/12/43/62/210124362.db2.gz VMSFFPCMKXMRBM-UHFFFAOYSA-N 0 0 347.802 3.789 50 5 EHBARN CSc1nc(NC2CCCC2)c([N+](=O)[O-])c(NC2CCCC2)n1 ZINC000003996034 210097905 /nfs/dbraw/zinc/09/79/05/210097905.db2.gz GSGVDKOCBKBMGG-UHFFFAOYSA-N 0 0 337.449 3.816 50 5 in-vivo EHBARN CCOc1ccc(C(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])cc1 ZINC000003900432 210087595 /nfs/dbraw/zinc/08/75/95/210087595.db2.gz WELRWSANBIXMPP-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN CSc1ccc(CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000003449438 210042924 /nfs/dbraw/zinc/04/29/24/210042924.db2.gz YNAITXNVKLRCQB-DHZHZOJOSA-N 0 0 342.420 3.989 50 5 EHBARN O=[N+]([O-])c1cccc(-c2csc(-n3nccc3C(F)(F)F)n2)c1 ZINC000003406267 210029414 /nfs/dbraw/zinc/02/94/14/210029414.db2.gz NHPVVHDRNHXBND-UHFFFAOYSA-N 0 0 340.286 3.923 50 5 EHBARN CSc1sc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])nc1C ZINC000067991809 215267702 /nfs/dbraw/zinc/26/77/02/215267702.db2.gz ODFCRKWOFMOGHU-UHFFFAOYSA-N 0 0 345.352 3.612 50 5 EHBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000040145743 213272335 /nfs/dbraw/zinc/27/23/35/213272335.db2.gz HDINOEUFZRCABM-KBPBESRZSA-N 0 0 346.408 3.593 50 5 EHBARN CCOc1ccc([C@@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000032869722 212859803 /nfs/dbraw/zinc/85/98/03/212859803.db2.gz WCHVGZNHCPBTJZ-GFCCVEGCSA-N 0 0 326.356 3.814 50 5 EHBARN O=C(NCc1cccnc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000176145 209465306 /nfs/dbraw/zinc/46/53/06/209465306.db2.gz RIZAYBNEJJBGOW-UHFFFAOYSA-N 0 0 347.783 3.788 50 5 EHBARN CCCc1ccc2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)sc2n1 ZINC000000058919 209394194 /nfs/dbraw/zinc/39/41/94/209394194.db2.gz RKQPEJNSZDBUKE-UHFFFAOYSA-N 0 0 341.392 3.970 50 5 EHBARN CCc1ccc(OCc2csc(-c3ncccn3)n2)c([N+](=O)[O-])c1 ZINC000075139490 216576833 /nfs/dbraw/zinc/57/68/33/216576833.db2.gz QYJADWSGLISZOV-UHFFFAOYSA-N 0 0 342.380 3.650 50 5 EHBARN C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000022357679 212293723 /nfs/dbraw/zinc/29/37/23/212293723.db2.gz AUUCCTGLHIIENJ-VXGBXAGGSA-N 0 0 341.839 3.548 50 5 EHBARN CCN(CC)c1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000020897872 212183133 /nfs/dbraw/zinc/18/31/33/212183133.db2.gz QXHKUVQICHRGBH-UHFFFAOYSA-N 0 0 339.355 3.553 50 5 EHBARN O=[N+]([O-])c1ccc(CNc2ccccc2[C@@H](O)C(F)(F)F)cc1 ZINC000253429957 243979364 /nfs/dbraw/zinc/97/93/64/243979364.db2.gz PGIFOVYKQKLRPB-CQSZACIVSA-N 0 0 326.274 3.803 50 5 EHBARN COc1ccccc1COc1ccc([N+](=O)[O-])c(Br)c1 ZINC000019872991 212077960 /nfs/dbraw/zinc/07/79/60/212077960.db2.gz UWPICXHANVWXCX-UHFFFAOYSA-N 0 0 338.157 3.945 50 5 EHBARN O=[N+]([O-])c1cc(-c2c(Cl)cc(C(F)(F)F)c[n+]2[O-])ccc1F ZINC000261494746 244595364 /nfs/dbraw/zinc/59/53/64/244595364.db2.gz BXUFDODDQVGSDN-UHFFFAOYSA-N 0 0 336.628 3.707 50 5 EHBARN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCCCO2 ZINC000011159490 211205716 /nfs/dbraw/zinc/20/57/16/211205716.db2.gz KHQPKWAJURETHM-UHFFFAOYSA-N 0 0 339.303 3.733 50 5 EHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000009899751 211132449 /nfs/dbraw/zinc/13/24/49/211132449.db2.gz RCPLALBUSWRRQG-JXMROGBWSA-N 0 0 347.374 3.674 50 5 EHBARN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1Cc1cccc2ccccc21 ZINC000095392518 218323490 /nfs/dbraw/zinc/32/34/90/218323490.db2.gz PXECEXXLWQQINI-INIZCTEOSA-N 0 0 336.395 3.693 50 5 EHBARN C[C@H](OC(=O)c1c2ccccc2cc2ccccc21)C(=O)NC1CC1 ZINC000005743756 210528255 /nfs/dbraw/zinc/52/82/55/210528255.db2.gz AEHLRLCSNHXCOC-ZDUSSCGKSA-N 0 0 333.387 3.817 50 5 EHBARN Cc1noc(COc2ccc(NCc3csc([N+](=O)[O-])c3)cc2)n1 ZINC000096427538 218799861 /nfs/dbraw/zinc/79/98/61/218799861.db2.gz CJPLXZLDGZUAKC-UHFFFAOYSA-N 0 0 346.368 3.539 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000005092154 210388464 /nfs/dbraw/zinc/38/84/64/210388464.db2.gz ZVMLAEJFAJMUGR-WTKPLQERSA-N 0 0 332.743 3.909 50 5 EHBARN COc1ccc2nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000004892430 210314577 /nfs/dbraw/zinc/31/45/77/210314577.db2.gz IUGMXIMVGIAUIH-UHFFFAOYSA-N 0 0 344.352 3.857 50 5 EHBARN CC(=O)Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000004832425 210291254 /nfs/dbraw/zinc/29/12/54/210291254.db2.gz YMEADFBEIHCQJZ-UHFFFAOYSA-N 0 0 348.742 3.564 50 5 EHBARN COC(=O)c1cccc(Cn2cc(/C=C\[N+](=O)[O-])c3ccccc32)c1 ZINC000004820837 210287252 /nfs/dbraw/zinc/28/72/52/210287252.db2.gz ABMSUWFCGYENBK-KTKRTIGZSA-N 0 0 336.347 3.724 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(N2CCCCC2)c1 ZINC000055356363 132194951 /nfs/dbraw/zinc/19/49/51/132194951.db2.gz WOACEFUCCPSNGS-UHFFFAOYSA-N 0 0 339.395 3.766 50 5 EHBARN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000000307290 563990763 /nfs/dbraw/zinc/99/07/63/563990763.db2.gz IWPUJCNISALKNJ-SNVBAGLBSA-N 0 0 349.184 3.848 50 5 EHBARN CCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12 ZINC000000101192 563226032 /nfs/dbraw/zinc/22/60/32/563226032.db2.gz PGHPEYSQOFSBGQ-LBPRGKRZSA-N 0 0 326.348 3.585 50 5 EHBARN CCOC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000000619368 563360960 /nfs/dbraw/zinc/36/09/60/563360960.db2.gz PBOCXDIEYCAEGS-UHFFFAOYSA-N 0 0 339.782 3.954 50 5 EHBARN O=[N+]([O-])c1ncccc1Oc1ncnc2sc3c(c21)CCCC3 ZINC000007983378 563920114 /nfs/dbraw/zinc/92/01/14/563920114.db2.gz GZCYCQJGVRFCEG-UHFFFAOYSA-N 0 0 328.353 3.666 50 5 EHBARN COc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000013880552 563935779 /nfs/dbraw/zinc/93/57/79/563935779.db2.gz IKECBXTZUILMSE-SOFGYWHQSA-N 0 0 332.743 3.909 50 5 EHBARN CN(Cc1nc(-c2ccco2)no1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000096996601 563966589 /nfs/dbraw/zinc/96/65/89/563966589.db2.gz RYQNVVGLESNKCG-UHFFFAOYSA-N 0 0 348.746 3.523 50 5 EHBARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C2 ZINC000014266751 563983773 /nfs/dbraw/zinc/98/37/73/563983773.db2.gz POEPVBYZQANPJP-OAHLLOKOSA-N 0 0 332.356 3.698 50 5 EHBARN Cc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1F ZINC000000211403 563988604 /nfs/dbraw/zinc/98/86/04/563988604.db2.gz KYMVFZQXPMRELV-UHFFFAOYSA-N 0 0 331.346 3.952 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)c1ccccn1 ZINC000000272677 563990080 /nfs/dbraw/zinc/99/00/80/563990080.db2.gz KGWXAVQFYYHOAR-UHFFFAOYSA-N 0 0 333.347 3.837 50 5 EHBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Cl)cc1Cl ZINC000000341315 563991335 /nfs/dbraw/zinc/99/13/35/563991335.db2.gz AWKVIDCCLVSRRV-UHFFFAOYSA-N 0 0 337.118 3.702 50 5 EHBARN Cc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1[N+](=O)[O-] ZINC000000355853 563991525 /nfs/dbraw/zinc/99/15/25/563991525.db2.gz FUQACUUVRLKNPK-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN CCN(CC)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000000373754 563991809 /nfs/dbraw/zinc/99/18/09/563991809.db2.gz VNOCFURNPOWPQB-UHFFFAOYSA-N 0 0 343.383 3.702 50 5 EHBARN CC1CCN(c2ccc(NC(=O)c3ccco3)cc2[N+](=O)[O-])CC1 ZINC000004998309 563993696 /nfs/dbraw/zinc/99/36/96/563993696.db2.gz PTCOAHZYZVCBII-UHFFFAOYSA-N 0 0 329.356 3.676 50 5 EHBARN CCc1[nH]nc(C(=O)Nc2ccc(SC)c(Cl)c2)c1[N+](=O)[O-] ZINC000176496684 563995146 /nfs/dbraw/zinc/99/51/46/563995146.db2.gz RVQUDPFWIYVNFL-UHFFFAOYSA-N 0 0 340.792 3.508 50 5 EHBARN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005186616 564000213 /nfs/dbraw/zinc/00/02/13/564000213.db2.gz OPWHRWIWUWYOQH-UHFFFAOYSA-N 0 0 341.367 3.832 50 5 EHBARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000461419 564000747 /nfs/dbraw/zinc/00/07/47/564000747.db2.gz YNNILCSFDKPGIX-LBPRGKRZSA-N 0 0 332.787 3.999 50 5 EHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCCC2 ZINC000000463291 564000811 /nfs/dbraw/zinc/00/08/11/564000811.db2.gz CLBGRZAGFFVSGO-JXMROGBWSA-N 0 0 329.381 3.582 50 5 EHBARN COc1ccc(CCOC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005508635 564004817 /nfs/dbraw/zinc/00/48/17/564004817.db2.gz KLCIVGNFSVEJSZ-UHFFFAOYSA-N 0 0 335.743 3.656 50 5 EHBARN CC(=O)c1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000000473096 564006154 /nfs/dbraw/zinc/00/61/54/564006154.db2.gz LPXXBNFKZRCZTB-UHFFFAOYSA-N 0 0 344.392 3.669 50 5 EHBARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000473606 564006181 /nfs/dbraw/zinc/00/61/81/564006181.db2.gz VQHSFKGUMJLPIB-UHFFFAOYSA-N 0 0 337.788 3.836 50 5 EHBARN N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 ZINC000005631286 564006805 /nfs/dbraw/zinc/00/68/05/564006805.db2.gz VPMVXYSKVKFHCB-WUXMJOGZSA-N 0 0 349.755 3.647 50 5 EHBARN O=[N+]([O-])c1c2nnnn2c2ccc(Cl)cc2c1-c1ccccc1 ZINC000000553641 564023103 /nfs/dbraw/zinc/02/31/03/564023103.db2.gz FDVAUWLNCFBKKP-UHFFFAOYSA-N 0 0 325.715 3.506 50 5 EHBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000000571985 564023564 /nfs/dbraw/zinc/02/35/64/564023564.db2.gz FZVBHJCOFOFREC-UHFFFAOYSA-N 0 0 335.315 3.788 50 5 EHBARN O=C(CN(Cc1ccco1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000048367732 564031587 /nfs/dbraw/zinc/03/15/87/564031587.db2.gz GTSQDJRBCHSZHZ-UHFFFAOYSA-N 0 0 343.383 3.571 50 5 EHBARN Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000012555689 564059338 /nfs/dbraw/zinc/05/93/38/564059338.db2.gz ZUTOPAMCXFHFIW-UHFFFAOYSA-N 0 0 331.347 3.873 50 5 EHBARN O=C(Nc1ccccc1Cl)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000001385537 564064175 /nfs/dbraw/zinc/06/41/75/564064175.db2.gz MVZSRZKWAPSVCP-UHFFFAOYSA-N 0 0 342.742 3.686 50 5 EHBARN O=[N+]([O-])c1cc(Sc2nc3ccccc3o2)cc2nsnc21 ZINC000001427711 564066878 /nfs/dbraw/zinc/06/68/78/564066878.db2.gz BGVJMUDCJOGPRM-UHFFFAOYSA-N 0 0 330.350 3.892 50 5 EHBARN O=[N+]([O-])c1ccccc1OCc1ccc(OCC(F)(F)F)nc1 ZINC000084507318 564068375 /nfs/dbraw/zinc/06/83/75/564068375.db2.gz LUMNIHRTNRAZFG-UHFFFAOYSA-N 0 0 328.246 3.510 50 5 EHBARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000013001563 564086369 /nfs/dbraw/zinc/08/63/69/564086369.db2.gz NDYWXZWJUXFYRT-MRXNPFEDSA-N 0 0 328.393 3.867 50 5 EHBARN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1 ZINC000001802059 564087769 /nfs/dbraw/zinc/08/77/69/564087769.db2.gz IFOZPBWVDULCRB-UHFFFAOYSA-N 0 0 341.352 3.757 50 5 EHBARN Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)c1 ZINC000002057743 564093400 /nfs/dbraw/zinc/09/34/00/564093400.db2.gz 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564134292 /nfs/dbraw/zinc/13/42/92/564134292.db2.gz ZJLHKMSBGUXUOU-UHFFFAOYSA-N 0 0 337.173 3.978 50 5 EHBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1CC[N+](=O)[O-] ZINC000012959172 564135719 /nfs/dbraw/zinc/13/57/19/564135719.db2.gz HEVLGFZIZSWSFB-UHFFFAOYSA-N 0 0 338.285 3.777 50 5 EHBARN Cc1ccc(C(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000390833503 564138840 /nfs/dbraw/zinc/13/88/40/564138840.db2.gz IKTAYPGHXLYLSG-UHFFFAOYSA-N 0 0 333.775 3.617 50 5 EHBARN Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161757664 564149983 /nfs/dbraw/zinc/14/99/83/564149983.db2.gz CYBJGYOKPORFTE-LSDHHAIUSA-N 0 0 348.362 3.589 50 5 EHBARN CCC(CC)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000002631099 564151470 /nfs/dbraw/zinc/15/14/70/564151470.db2.gz HCNOCGXUXJNHPS-UHFFFAOYSA-N 0 0 334.401 3.911 50 5 EHBARN Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000002753095 564152415 /nfs/dbraw/zinc/15/24/15/564152415.db2.gz JAJBIXPRAHGELP-UHFFFAOYSA-N 0 0 338.285 3.852 50 5 EHBARN 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O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000003200132 209976206 /nfs/dbraw/zinc/97/62/06/209976206.db2.gz CISWMGFAIZMTIK-UHFFFAOYSA-N 0 0 338.407 3.619 50 5 EHBARN Cc1ccc(CSCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000002983645 209949004 /nfs/dbraw/zinc/94/90/04/209949004.db2.gz GLKUBWBRTWPURP-UHFFFAOYSA-N 0 0 344.436 3.875 50 5 EHBARN Cc1ccc(Nc2nc(C)c([N+](=O)[O-])c(N3CCCCC3)n2)cc1 ZINC000038488496 213210411 /nfs/dbraw/zinc/21/04/11/213210411.db2.gz DOUBLUPEZDBKAB-UHFFFAOYSA-N 0 0 327.388 3.736 50 5 EHBARN CC(C)N(C(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C1CC1 ZINC000069975576 215651045 /nfs/dbraw/zinc/65/10/45/215651045.db2.gz VNUWYEZHPFJFNE-UHFFFAOYSA-N 0 0 345.168 3.509 50 5 EHBARN Cc1c(-c2nc(-c3ccc4c(c3)ncn4C)no2)cccc1[N+](=O)[O-] ZINC000035453283 213029091 /nfs/dbraw/zinc/02/90/91/213029091.db2.gz OQQHQRFSODBHBW-UHFFFAOYSA-N 0 0 335.323 3.507 50 5 EHBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000000432873 209597267 /nfs/dbraw/zinc/59/72/67/209597267.db2.gz LHGYPJAQIIHRMA-UHFFFAOYSA-N 0 0 331.328 3.585 50 5 EHBARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000370174 209556176 /nfs/dbraw/zinc/55/61/76/209556176.db2.gz DMINQGAQLZMKFW-UHFFFAOYSA-N 0 0 326.230 3.746 50 5 EHBARN CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(=O)OC ZINC000000311454 209530915 /nfs/dbraw/zinc/53/09/15/209530915.db2.gz KYIMEVBTTWJDHZ-UHFFFAOYSA-N 0 0 348.380 3.566 50 5 EHBARN Cc1nn(C)c(Oc2ccc3c(c2)oc(=O)cc3C(C)C)c1[N+](=O)[O-] ZINC000072285205 216115547 /nfs/dbraw/zinc/11/55/47/216115547.db2.gz OOVXKEUUCDXEAT-UHFFFAOYSA-N 0 0 343.339 3.659 50 5 EHBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1c(F)cccc1F ZINC000000180789 209469268 /nfs/dbraw/zinc/46/92/68/209469268.db2.gz FVRNPGFJXBMGDR-OAHLLOKOSA-N 0 0 336.319 3.652 50 5 EHBARN C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000028494127 212622091 /nfs/dbraw/zinc/62/20/91/212622091.db2.gz MHNDSVDZPFEKQY-OAHLLOKOSA-N 0 0 345.443 3.990 50 5 EHBARN CCC(=O)Nc1nc2c(c3c4ccccc4oc(=O)c13)C[C@@H](C)CC2 ZINC000000054540 209393664 /nfs/dbraw/zinc/39/36/64/209393664.db2.gz AQJIBUFSLLFPTE-NSHDSACASA-N 0 0 336.391 3.815 50 5 EHBARN COc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1 ZINC000000055053 209393497 /nfs/dbraw/zinc/39/34/97/209393497.db2.gz ZFELDPJRRGWNGH-UHFFFAOYSA-N 0 0 329.355 3.513 50 5 EHBARN CCCc1nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000022420811 212297045 /nfs/dbraw/zinc/29/70/45/212297045.db2.gz KJQTVPSHXGSRFM-UHFFFAOYSA-N 0 0 332.307 3.835 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC000014182706 211701533 /nfs/dbraw/zinc/70/15/33/211701533.db2.gz XERMFBGQNWRGEB-MRXNPFEDSA-N 0 0 344.392 3.567 50 5 EHBARN CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000013847225 211650384 /nfs/dbraw/zinc/65/03/84/211650384.db2.gz UHKQODLEQPOLGN-HNNXBMFYSA-N 0 0 344.367 3.708 50 5 EHBARN O=[N+]([O-])c1ccc(-c2[nH]nc(C(F)(F)F)c2Br)cc1 ZINC000012374672 211358535 /nfs/dbraw/zinc/35/85/35/211358535.db2.gz XNXVVFGHLZJBIB-UHFFFAOYSA-N 0 0 336.067 3.766 50 5 EHBARN O=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(F)cc1 ZINC000012136856 211301571 /nfs/dbraw/zinc/30/15/71/211301571.db2.gz QHPOQSVNZNXMFY-ZROIWOOFSA-N 0 0 344.323 3.975 50 5 EHBARN O=C(NCCOc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000010994698 211199448 /nfs/dbraw/zinc/19/94/48/211199448.db2.gz BWOPJCOIRIFOKU-UHFFFAOYSA-N 0 0 336.347 3.557 50 5 EHBARN Cc1cccc(C(=O)N(C)Cc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000010285312 211159786 /nfs/dbraw/zinc/15/97/86/211159786.db2.gz DQQGBSRALFGPPN-UHFFFAOYSA-N 0 0 341.392 3.785 50 5 EHBARN Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000009313975 211065075 /nfs/dbraw/zinc/06/50/75/211065075.db2.gz BBYFOKYIEMTLLJ-HNNXBMFYSA-N 0 0 343.774 3.578 50 5 EHBARN CCc1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000095410246 218347273 /nfs/dbraw/zinc/34/72/73/218347273.db2.gz VXOGVMLDLOVYHV-AWEZNQCLSA-N 0 0 343.387 3.639 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC=C(c2ccc(F)cc2)C1 ZINC000095455379 218398789 /nfs/dbraw/zinc/39/87/89/218398789.db2.gz UMGREEHPVAMZSS-UHFFFAOYSA-N 0 0 327.315 3.665 50 5 EHBARN Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000007779048 210845839 /nfs/dbraw/zinc/84/58/39/210845839.db2.gz GHBJPZGGKPABBK-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN COc1ccc(-c2nc(COc3cccnc3[N+](=O)[O-])cs2)cc1 ZINC000007549842 210813705 /nfs/dbraw/zinc/81/37/05/210813705.db2.gz FUBFMEOHZQVFAL-UHFFFAOYSA-N 0 0 343.364 3.701 50 5 EHBARN CCOC(=O)Nc1cc([N+](=O)[O-])ccc1-c1ccccc1[N+](=O)[O-] ZINC000007078191 210757280 /nfs/dbraw/zinc/75/72/80/210757280.db2.gz CPJUXIPVKYWCPF-UHFFFAOYSA-N 0 0 331.284 3.738 50 5 EHBARN COc1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000006288874 210612253 /nfs/dbraw/zinc/61/22/53/210612253.db2.gz QVPLFZLZUVZKTJ-UHFFFAOYSA-N 0 0 348.380 3.586 50 5 EHBARN CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005007512 210359358 /nfs/dbraw/zinc/35/93/58/210359358.db2.gz YLYUSLAOAHQOAZ-UHFFFAOYSA-N 0 0 334.759 3.828 50 5 EHBARN CC(C)COC(=O)Oc1c(Cl)cc2oc(=O)sc2c1[N+](=O)[O-] ZINC000000033247 208551837 /nfs/dbraw/zinc/55/18/37/208551837.db2.gz ABYWBSLZPDWOHP-UHFFFAOYSA-N 0 0 347.732 3.588 50 5 EHBARN Cc1ccc(NC(=O)c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000004948645 210338083 /nfs/dbraw/zinc/33/80/83/210338083.db2.gz HAQQUXSLOFMIOQ-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN Cc1cc(NC(=O)NCc2ncc(C(C)(C)C)o2)ccc1[N+](=O)[O-] ZINC000097234859 219001656 /nfs/dbraw/zinc/00/16/56/219001656.db2.gz BFBKNYFVEGZHMU-UHFFFAOYSA-N 0 0 332.360 3.510 50 5 EHBARN CCCOc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000004813881 210285261 /nfs/dbraw/zinc/28/52/61/210285261.db2.gz CVCWLIZDVCWSTQ-UHFFFAOYSA-N 0 0 330.340 3.645 50 5 EHBARN O=C(Nc1ccc(Cl)cn1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004793149 210279415 /nfs/dbraw/zinc/27/94/15/210279415.db2.gz XTWIQWWEZCXIIY-UHFFFAOYSA-N 0 0 327.127 3.941 50 5 EHBARN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C2CC2)cc1 ZINC000124601347 257972014 /nfs/dbraw/zinc/97/20/14/257972014.db2.gz BHMWFNUWKBFKNQ-LLVKDONJSA-N 0 0 330.340 3.642 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1csc(Cc2ccccc2)n1 ZINC000032643841 563674897 /nfs/dbraw/zinc/67/48/97/563674897.db2.gz VRZGRPNNOJNOCZ-UHFFFAOYSA-N 0 0 339.376 3.894 50 5 EHBARN Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004560854 563780374 /nfs/dbraw/zinc/78/03/74/563780374.db2.gz AECGINLTTUIKSQ-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN Cc1cccc(C(=O)NCCCO[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000032907529 563799356 /nfs/dbraw/zinc/79/93/56/563799356.db2.gz IMDVSOGPSGHSFU-OAHLLOKOSA-N 0 0 342.395 3.801 50 5 EHBARN CC(C)C(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000097165853 563968546 /nfs/dbraw/zinc/96/85/46/563968546.db2.gz OIQZFUCNKUVRHR-GOSISDBHSA-N 0 0 337.379 3.929 50 5 EHBARN O=C(CCc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000068285 563971275 /nfs/dbraw/zinc/97/12/75/563971275.db2.gz XNSDLFRYERGFET-UHFFFAOYSA-N 0 0 327.365 3.776 50 5 EHBARN COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000000103059 563982167 /nfs/dbraw/zinc/98/21/67/563982167.db2.gz AQSXRQCMOUGMTK-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=C(Cn1c2ccccc2nc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000000233142 563989043 /nfs/dbraw/zinc/98/90/43/563989043.db2.gz VQUWUVVBJJSASO-UHFFFAOYSA-N 0 0 349.268 3.846 50 5 EHBARN O=C(NCCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000375310 563991819 /nfs/dbraw/zinc/99/18/19/563991819.db2.gz RWNJUTKSCKYFRT-UHFFFAOYSA-N 0 0 339.178 3.874 50 5 EHBARN O=C(NCc1nc2ccccc2s1)Nc1cccc([N+](=O)[O-])c1 ZINC000024237198 563998255 /nfs/dbraw/zinc/99/82/55/563998255.db2.gz LMHQCABOGXRGFW-UHFFFAOYSA-N 0 0 328.353 3.526 50 5 EHBARN Cc1ccc(F)cc1N1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000423988 563998418 /nfs/dbraw/zinc/99/84/18/563998418.db2.gz SACTZWBUJJOEOZ-MRXNPFEDSA-N 0 0 332.356 3.821 50 5 EHBARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000433875 563999328 /nfs/dbraw/zinc/99/93/28/563999328.db2.gz CDHWIICMWGVDEK-UHFFFAOYSA-N 0 0 348.380 3.620 50 5 EHBARN Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1 ZINC000000444858 563999538 /nfs/dbraw/zinc/99/95/38/563999538.db2.gz WDAVZJPQNDFZAG-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000000453073 563999838 /nfs/dbraw/zinc/99/98/38/563999838.db2.gz IVPUSIRKUBVRSA-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=[N+]([O-])c1cccc(Cl)c1CSc1nnnn1-c1ccccc1 ZINC000000467741 564000755 /nfs/dbraw/zinc/00/07/55/564000755.db2.gz NINNBHUUCCDFCM-UHFFFAOYSA-N 0 0 347.787 3.516 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCc1cccc(Cl)c1 ZINC000000460634 564000826 /nfs/dbraw/zinc/00/08/26/564000826.db2.gz OJIKMYXBQQKLTA-BQYQJAHWSA-N 0 0 330.771 3.620 50 5 EHBARN COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000005637897 564006868 /nfs/dbraw/zinc/00/68/68/564006868.db2.gz APGNCGQMAUPNGB-UHFFFAOYSA-N 0 0 347.802 3.583 50 5 EHBARN CCOc1ccc(C(C)=O)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000018249928 564018957 /nfs/dbraw/zinc/01/89/57/564018957.db2.gz 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ZINC000075141222 564080680 /nfs/dbraw/zinc/08/06/80/564080680.db2.gz ZBUORMZFFCQDKH-UHFFFAOYSA-N 0 0 325.777 3.503 50 5 EHBARN Cc1ccc(NC(=O)[C@@H](c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000075148770 564080840 /nfs/dbraw/zinc/08/08/40/564080840.db2.gz NEJRQWXYFSKFMY-GOSISDBHSA-N 0 0 339.395 3.679 50 5 EHBARN Cc1ccc(NC(=O)[C@H](c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000075148774 564080843 /nfs/dbraw/zinc/08/08/43/564080843.db2.gz NEJRQWXYFSKFMY-SFHVURJKSA-N 0 0 339.395 3.679 50 5 EHBARN CC(=O)N(C)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000001753409 564087211 /nfs/dbraw/zinc/08/72/11/564087211.db2.gz MGXFNNIHRKFFQM-UHFFFAOYSA-N 0 0 342.355 3.530 50 5 EHBARN CCCCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006502318 564091069 /nfs/dbraw/zinc/09/10/69/564091069.db2.gz ZVXDIMPYTUIMBY-UHFFFAOYSA-N 0 0 334.397 3.738 50 5 EHBARN O=[N+]([O-])c1cc(Cl)c(F)cc1OCc1ncn(-c2ccccc2)n1 ZINC000240225345 564108874 /nfs/dbraw/zinc/10/88/74/564108874.db2.gz DHIRUBJOOFQSPS-UHFFFAOYSA-N 0 0 348.721 3.547 50 5 EHBARN CCc1c(NC(=O)c2c(C)cccc2[N+](=O)[O-])cnn1CC(C)C ZINC000252492737 564119638 /nfs/dbraw/zinc/11/96/38/564119638.db2.gz MURKUUWLXKGWDI-UHFFFAOYSA-N 0 0 330.388 3.570 50 5 EHBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)n1ncc2cc(Cl)ccc21 ZINC000002167224 564120193 /nfs/dbraw/zinc/12/01/93/564120193.db2.gz SPVFLOQLDMTUSO-UHFFFAOYSA-N 0 0 334.694 3.817 50 5 EHBARN CN(Cc1ccc(Cl)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012790493 564135558 /nfs/dbraw/zinc/13/55/58/564135558.db2.gz QLWAGOABNBKZIV-UHFFFAOYSA-N 0 0 348.786 3.747 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000282436021 564146783 /nfs/dbraw/zinc/14/67/83/564146783.db2.gz FNGMIXKIXBQLDW-HNNXBMFYSA-N 0 0 347.415 3.682 50 5 EHBARN COc1cc([C@H](C)NC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1F ZINC000225562754 564149760 /nfs/dbraw/zinc/14/97/60/564149760.db2.gz DIOVPHDQOWHABL-NSHDSACASA-N 0 0 332.331 3.542 50 5 EHBARN Cc1c(C(=O)Nc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000002830696 564152812 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Cc1ccnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000070771315 564174351 /nfs/dbraw/zinc/17/43/51/564174351.db2.gz XPSOPUYRMRHSGO-UHFFFAOYSA-N 0 0 342.380 3.711 50 5 EHBARN C[C@@H](Sc1c([N+](=O)[O-])ncn1C)c1cccc(Br)c1 ZINC000292348165 564177398 /nfs/dbraw/zinc/17/73/98/564177398.db2.gz QMFYKSWTPSYMKE-MRVPVSSYSA-N 0 0 342.218 3.944 50 5 EHBARN CNc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000033530369 1122793684 /nfs/dbraw/zinc/79/36/84/1122793684.db2.gz ZQZKCLCNZRNYLY-SDQBBNPISA-N 0 0 329.743 3.783 50 5 EHBARN O=[N+]([O-])c1cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cs1 ZINC000054271560 214228689 /nfs/dbraw/zinc/22/86/89/214228689.db2.gz IWRIDUUJUZJQKV-CQSZACIVSA-N 0 0 338.816 3.883 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000055734190 214339302 /nfs/dbraw/zinc/33/93/02/214339302.db2.gz ASLZSUBKOQRSBF-HNNXBMFYSA-N 0 0 346.770 3.674 50 5 EHBARN O=C(Nc1ccc2ccccc2c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000004659214 210240394 /nfs/dbraw/zinc/24/03/94/210240394.db2.gz CQGNOECXCRSGNS-UHFFFAOYSA-N 0 0 337.291 3.909 50 5 EHBARN CCOC(=O)c1cc(/C=C\c2ccccc2[N+](=O)[O-])ncc1CC ZINC000004532366 210215071 /nfs/dbraw/zinc/21/50/71/210215071.db2.gz HJMMSSLRTXXCEU-KTKRTIGZSA-N 0 0 326.352 3.899 50 5 EHBARN C[P@](=O)(Nc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCCC2 ZINC000101023713 219114228 /nfs/dbraw/zinc/11/42/28/219114228.db2.gz PUBYTJXOHSAGCK-OAQYLSRUSA-N 0 0 337.341 3.575 50 5 EHBARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000064984798 214820519 /nfs/dbraw/zinc/82/05/19/214820519.db2.gz YTODHIUTSXPZBV-HNNXBMFYSA-N 0 0 344.371 3.904 50 5 EHBARN O=[N+]([O-])c1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 ZINC000003904846 210090012 /nfs/dbraw/zinc/09/00/12/210090012.db2.gz SMDPWIHXDHLAHD-UHFFFAOYSA-N 0 0 340.408 3.605 50 5 EHBARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000003447827 210043083 /nfs/dbraw/zinc/04/30/83/210043083.db2.gz OUFWXWXIPSFTAP-UHFFFAOYSA-N 0 0 327.336 3.560 50 5 EHBARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000003065172 209958864 /nfs/dbraw/zinc/95/88/64/209958864.db2.gz IXQQEYBPSWOXHT-UHFFFAOYSA-N 0 0 337.118 3.702 50 5 EHBARN Cc1ccc(-n2c(C)nc3sc4ccccc4c(=O)c3c2=O)cc1C ZINC000002431982 209850419 /nfs/dbraw/zinc/85/04/19/209850419.db2.gz UANGHZBQZOGYSR-UHFFFAOYSA-N 0 0 348.427 3.886 50 5 EHBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCc1ncoc1-c1ccccc1 ZINC000104272846 219368361 /nfs/dbraw/zinc/36/83/61/219368361.db2.gz UTRXRUUGOPZRDD-KHPPLWFESA-N 0 0 349.346 3.579 50 5 EHBARN O=[N+]([O-])c1ccc(SCCCNc2ncccn2)c2ccncc21 ZINC000068772603 215333334 /nfs/dbraw/zinc/33/33/34/215333334.db2.gz XDXINYDEWSQGFA-UHFFFAOYSA-N 0 0 341.396 3.527 50 5 EHBARN O=C(Nc1nc2ccccc2s1)Nc1cc([N+](=O)[O-])ccc1F ZINC000002155717 209825787 /nfs/dbraw/zinc/82/57/87/209825787.db2.gz SCEZZBBJVNHNQR-UHFFFAOYSA-N 0 0 332.316 3.988 50 5 EHBARN C[C@](Cc1ccccc1)([N+](=O)[O-])[C@@](C)(Cc1ccccc1)[N+](=O)[O-] ZINC000002141646 209824182 /nfs/dbraw/zinc/82/41/82/209824182.db2.gz OZEQJUXGNUYFFN-QZTJIDSGSA-N 0 0 328.368 3.543 50 5 EHBARN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000040158478 213275474 /nfs/dbraw/zinc/27/54/74/213275474.db2.gz GCSSQWJPNXCZCD-GFCCVEGCSA-N 0 0 329.356 3.915 50 5 EHBARN O=[N+]([O-])c1ccc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)nc1 ZINC000040083229 213258627 /nfs/dbraw/zinc/25/86/27/213258627.db2.gz ABIBRCXRNCZADS-KRWDZBQOSA-N 0 0 349.394 3.724 50 5 EHBARN COc1ccc(CNc2cccc(Br)c2[N+](=O)[O-])cc1 ZINC000038537489 213214012 /nfs/dbraw/zinc/21/40/12/213214012.db2.gz KAFGHCLAKBJYOB-UHFFFAOYSA-N 0 0 337.173 3.978 50 5 EHBARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000444598 209604728 /nfs/dbraw/zinc/60/47/28/209604728.db2.gz FHDXMTSCPYVEGK-UHFFFAOYSA-N 0 0 341.367 3.894 50 5 EHBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1ccc(F)cc1 ZINC000032777237 212840845 /nfs/dbraw/zinc/84/08/45/212840845.db2.gz NFOQTYUWPACKMX-UHFFFAOYSA-N 0 0 347.327 3.606 50 5 EHBARN CCOC(=O)CCc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000000094506 209416076 /nfs/dbraw/zinc/41/60/76/209416076.db2.gz NAMMVASMSDSNEM-GOSISDBHSA-N 0 0 342.351 3.594 50 5 EHBARN Cc1cc(-c2ccc([N+](=O)[O-])cc2)oc1C(=O)Nc1nccs1 ZINC000028048569 212597614 /nfs/dbraw/zinc/59/76/14/212597614.db2.gz KZRYUULOHURYFO-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@]1(C)CC1(Cl)Cl ZINC000022191929 212281231 /nfs/dbraw/zinc/28/12/31/212281231.db2.gz WXONVWMQBXLJNB-RNCFNFMXSA-N 0 0 331.199 3.698 50 5 EHBARN O=[N+]([O-])c1ccc(N[C@H](CCO)C2CCCCC2)c2ccncc21 ZINC000078798683 217124211 /nfs/dbraw/zinc/12/42/11/217124211.db2.gz PFKGSUJDTXAJBQ-MRXNPFEDSA-N 0 0 329.400 3.886 50 5 EHBARN COC(=O)Cn1c2ccc(OC)cc2c2nc3cc(C)c(C)cc3nc21 ZINC000013683264 211609751 /nfs/dbraw/zinc/60/97/51/211609751.db2.gz MPZXIDAGLXGTOG-UHFFFAOYSA-N 0 0 349.390 3.536 50 5 EHBARN CCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000012823022 211466754 /nfs/dbraw/zinc/46/67/54/211466754.db2.gz HBQBWUMAOWKEGC-UHFFFAOYSA-N 0 0 347.758 3.849 50 5 EHBARN CN(C)C(=O)c1cccc(Oc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000092606731 218154041 /nfs/dbraw/zinc/15/40/41/218154041.db2.gz QLECEFZJLKANPM-UHFFFAOYSA-N 0 0 337.335 3.637 50 5 EHBARN Cc1ccc(-c2nn3c(nnc3-c3cccs3)s2)cc1[N+](=O)[O-] ZINC000009227277 211055566 /nfs/dbraw/zinc/05/55/66/211055566.db2.gz QBSADXLVNGAYHK-UHFFFAOYSA-N 0 0 343.393 3.798 50 5 EHBARN O=C(Nc1ccccc1C1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009028519 211031662 /nfs/dbraw/zinc/03/16/62/211031662.db2.gz KFMYTJASVOSDCZ-UHFFFAOYSA-N 0 0 327.296 3.633 50 5 EHBARN Cc1csc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000095393671 218325464 /nfs/dbraw/zinc/32/54/64/218325464.db2.gz TUAXOWODKBFQPB-ZDUSSCGKSA-N 0 0 348.384 4.000 50 5 EHBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ccccc1O ZINC000008705405 210983061 /nfs/dbraw/zinc/98/30/61/210983061.db2.gz OOXLEVHWFMHIHG-UHFFFAOYSA-N 0 0 348.786 3.545 50 5 EHBARN C[C@H](c1ccco1)N(C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000095409932 218346675 /nfs/dbraw/zinc/34/66/75/218346675.db2.gz DAWDIYOYSUCGCQ-GFCCVEGCSA-N 0 0 329.356 3.623 50 5 EHBARN CCCc1nc2c(c3nc4ccccc4n31)c(=O)c1ccccc1n2C ZINC000005207954 210414298 /nfs/dbraw/zinc/41/42/98/210414298.db2.gz RUFFVYDYBBZLNS-UHFFFAOYSA-N 0 0 342.402 3.840 50 5 EHBARN COc1ccc(C)cc1NC(=S)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005041838 210373145 /nfs/dbraw/zinc/37/31/45/210373145.db2.gz JAISEVMTGOXMEA-UHFFFAOYSA-N 0 0 335.360 3.860 50 5 EHBARN COc1ccc(-c2ccc(C(=O)Nc3nccs3)o2)c([N+](=O)[O-])c1 ZINC000005034578 210370660 /nfs/dbraw/zinc/37/06/60/210370660.db2.gz QPRLEALDXLQGBI-UHFFFAOYSA-N 0 0 345.336 3.572 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/C1=Cc2ccccc2OC1 ZINC000005034478 210370260 /nfs/dbraw/zinc/37/02/60/210370260.db2.gz IWCSTVWMLTWGHA-RMKNXTFCSA-N 0 0 336.347 3.874 50 5 EHBARN Cc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000004999094 210356072 /nfs/dbraw/zinc/35/60/72/210356072.db2.gz OFKIIYIDTVMKQY-UHFFFAOYSA-N 0 0 343.408 3.647 50 5 EHBARN COc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000004868705 210308166 /nfs/dbraw/zinc/30/81/66/210308166.db2.gz UWQIZRHPTBWWFL-UHFFFAOYSA-N 0 0 344.367 3.891 50 5 EHBARN O=[N+]([O-])c1ccc(CNC2(c3noc(C4CC4)n3)CCCC2)cc1F ZINC000283041730 258013001 /nfs/dbraw/zinc/01/30/01/258013001.db2.gz IJYJFCYSTDVIMW-UHFFFAOYSA-N 0 0 346.362 3.553 50 5 EHBARN O=C(c1cccnc1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000031848 258047335 /nfs/dbraw/zinc/04/73/35/258047335.db2.gz MEKUSLJJCICSRY-UHFFFAOYSA-N 0 0 333.347 3.837 50 5 EHBARN CC(C)(C)Cc1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000000465005 258048520 /nfs/dbraw/zinc/04/85/20/258048520.db2.gz KEDMULFCZDYHIP-RMKNXTFCSA-N 0 0 346.412 3.687 50 5 EHBARN CC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002170501 258049579 /nfs/dbraw/zinc/04/95/79/258049579.db2.gz GAJCIVNAHXTWQY-GORDUTHDSA-N 0 0 327.296 3.632 50 5 EHBARN O=[N+]([O-])c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000055543540 132195570 /nfs/dbraw/zinc/19/55/70/132195570.db2.gz FUYCFJFFWLKTAF-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN O=c1c2ccccc2nc2c3ccccc3c(N3CCCCCC3)nn12 ZINC000000293519 563274197 /nfs/dbraw/zinc/27/41/97/563274197.db2.gz YSRWOCJHZGMMEU-UHFFFAOYSA-N 0 0 344.418 3.776 50 5 EHBARN CCCCOC(=O)COc1ccc2c3ccccc3c(=O)oc2c1C ZINC000002290572 563428794 /nfs/dbraw/zinc/42/87/94/563428794.db2.gz PPXNPHDAZKSRDC-UHFFFAOYSA-N 0 0 340.375 3.977 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCCCC2)cc1NC[C@@H](O)c1ccccc1 ZINC000004561654 563782474 /nfs/dbraw/zinc/78/24/74/563782474.db2.gz PSYSQPWVZZMDHX-LJQANCHMSA-N 0 0 341.411 3.731 50 5 EHBARN Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c(C)c1 ZINC000000105730 563982214 /nfs/dbraw/zinc/98/22/14/563982214.db2.gz GZVYQMVYSDJXSL-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000000240171 563989130 /nfs/dbraw/zinc/98/91/30/563989130.db2.gz SEVAWJSPGIAIHX-QGZVFWFLSA-N 0 0 328.393 3.990 50 5 EHBARN CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(F)c1 ZINC000000266504 563989974 /nfs/dbraw/zinc/98/99/74/563989974.db2.gz CWPUSTIUJXAUBO-CXUHLZMHSA-N 0 0 325.299 3.540 50 5 EHBARN Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000309370 563990743 /nfs/dbraw/zinc/99/07/43/563990743.db2.gz BXODPCBGIFYSCZ-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(Cl)cc1 ZINC000000070743 563993733 /nfs/dbraw/zinc/99/37/33/563993733.db2.gz MZYTVWRLTXNNSE-ZROIWOOFSA-N 0 0 328.711 3.593 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCc2ccccc21 ZINC000005041938 563994025 /nfs/dbraw/zinc/99/40/25/563994025.db2.gz QQYPTGKMCBFMTO-UHFFFAOYSA-N 0 0 327.340 3.588 50 5 EHBARN O=C(NCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000452180 563999767 /nfs/dbraw/zinc/99/97/67/563999767.db2.gz YQMLHDPZOFCIAJ-UHFFFAOYSA-N 0 0 325.151 3.832 50 5 EHBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncccc1Cl ZINC000179657149 564002535 /nfs/dbraw/zinc/00/25/35/564002535.db2.gz 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ZINC000024746005 564033603 /nfs/dbraw/zinc/03/36/03/564033603.db2.gz VALJFJFNQBDCAU-UHFFFAOYSA-N 0 0 339.351 3.504 50 5 EHBARN Cc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)o1 ZINC000005824443 564056509 /nfs/dbraw/zinc/05/65/09/564056509.db2.gz FKSVCGAGDVTTRV-GFCCVEGCSA-N 0 0 334.397 3.635 50 5 EHBARN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000005971258 564057342 /nfs/dbraw/zinc/05/73/42/564057342.db2.gz AXMLFINANIMTAL-GFCCVEGCSA-N 0 0 337.335 3.549 50 5 EHBARN O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000001263071 564062779 /nfs/dbraw/zinc/06/27/79/564062779.db2.gz CUTDIYSTYJBMMS-GDNBJRDFSA-N 0 0 340.360 3.831 50 5 EHBARN CC[C@@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1cc(C)cc(C)n1 ZINC000016400444 564084761 /nfs/dbraw/zinc/08/47/61/564084761.db2.gz OMYIABCHZNTHEE-OAHLLOKOSA-N 0 0 343.383 3.711 50 5 EHBARN Cc1ccc(Nc2nc(Nc3ccccc3)nc(N)c2[N+](=O)[O-])cc1 ZINC000006389723 564085480 /nfs/dbraw/zinc/08/54/80/564085480.db2.gz YKRGYMUJKTUTDA-UHFFFAOYSA-N 0 0 336.355 3.763 50 5 EHBARN Cc1nc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)cc2o1 ZINC000160776461 564087404 /nfs/dbraw/zinc/08/74/04/564087404.db2.gz LMYQRXOXLTXZDY-UHFFFAOYSA-N 0 0 325.324 3.534 50 5 EHBARN CC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000089292097 564089456 /nfs/dbraw/zinc/08/94/56/564089456.db2.gz PXMTXMZMFUUOFU-UHFFFAOYSA-N 0 0 332.743 3.632 50 5 EHBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](c2ccccc2)C1 ZINC000089828096 564114139 /nfs/dbraw/zinc/11/41/39/564114139.db2.gz KCUJPCNZDCXJQW-HNNXBMFYSA-N 0 0 335.363 3.706 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1cccc(Cl)c1 ZINC000017068719 564116341 /nfs/dbraw/zinc/11/63/41/564116341.db2.gz UNEBYHMTUCINAL-UHFFFAOYSA-N 0 0 333.775 3.921 50 5 EHBARN Cc1nnc(Sc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000241634566 564123264 /nfs/dbraw/zinc/12/32/64/564123264.db2.gz PNMFQUCODAIFAY-UHFFFAOYSA-N 0 0 345.409 3.671 50 5 EHBARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000002657947 564151983 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O=[N+]([O-])c1cccnc1NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000058157390 564157842 /nfs/dbraw/zinc/15/78/42/564157842.db2.gz XOJMDYUZXRBNIJ-UHFFFAOYSA-N 0 0 340.314 3.928 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(Cl)cc1 ZINC000008328323 564164493 /nfs/dbraw/zinc/16/44/93/564164493.db2.gz CMZBPZRNRLUJEN-UHFFFAOYSA-N 0 0 334.759 3.828 50 5 EHBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008562371 564165736 /nfs/dbraw/zinc/16/57/36/564165736.db2.gz FEGNBFIOBGXKDQ-VIFPVBQESA-N 0 0 338.722 3.793 50 5 EHBARN CN(Cc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000008779894 564167410 /nfs/dbraw/zinc/16/74/10/564167410.db2.gz LVQQMWVVPAGWCD-UHFFFAOYSA-N 0 0 326.400 3.617 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c(F)cccc2N2CCCC2)c1 ZINC000172952859 564168354 /nfs/dbraw/zinc/16/83/54/564168354.db2.gz XHCVGIYQCLGABR-UHFFFAOYSA-N 0 0 343.358 3.895 50 5 EHBARN Cc1c(CN2C[C@@H](O)Cc3ccc4ccccc4c32)cccc1[N+](=O)[O-] ZINC000071811789 564175599 /nfs/dbraw/zinc/17/55/99/564175599.db2.gz 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/nfs/dbraw/zinc/11/95/28/210119528.db2.gz AGYMXPRRIGHLNE-UHFFFAOYSA-N 0 0 345.405 3.935 50 5 EHBARN Cc1c([N+](=O)[O-])cc(C(=O)NC2CCCCCCC2)cc1[N+](=O)[O-] ZINC000004093528 210119062 /nfs/dbraw/zinc/11/90/62/210119062.db2.gz IFODSDYCTOLJFX-UHFFFAOYSA-N 0 0 335.360 3.654 50 5 EHBARN O=[N+]([O-])c1ccc(NCCOc2ccccc2F)c2cccnc21 ZINC000004081275 210115101 /nfs/dbraw/zinc/11/51/01/210115101.db2.gz IMOBNQGCIXOVPI-UHFFFAOYSA-N 0 0 327.315 3.773 50 5 EHBARN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc21 ZINC000065722650 214991385 /nfs/dbraw/zinc/99/13/85/214991385.db2.gz FPTDTKQSXNTUBQ-LJQANCHMSA-N 0 0 349.390 3.695 50 5 EHBARN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c1 ZINC000069534128 215465074 /nfs/dbraw/zinc/46/50/74/215465074.db2.gz FPUBWQMWOHEOQB-UHFFFAOYSA-N 0 0 334.401 3.590 50 5 EHBARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000001506439 209754871 /nfs/dbraw/zinc/75/48/71/209754871.db2.gz LLSUVHOZHQEGJS-UHFFFAOYSA-N 0 0 325.349 3.971 50 5 in-vivo EHBARN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccsc1 ZINC000040110444 213267171 /nfs/dbraw/zinc/26/71/71/213267171.db2.gz JSCAXBMPEWRLFJ-OAHLLOKOSA-N 0 0 345.424 3.822 50 5 EHBARN O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000038201140 213205649 /nfs/dbraw/zinc/20/56/49/213205649.db2.gz DBZZGDZHPICREM-GXDHUFHOSA-N 0 0 326.333 3.836 50 5 EHBARN O=C(Cc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000449878 209607138 /nfs/dbraw/zinc/60/71/38/209607138.db2.gz GXUFLCPIGMMMEY-UHFFFAOYSA-N 0 0 335.157 3.539 50 5 EHBARN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC1 ZINC000071034536 215732052 /nfs/dbraw/zinc/73/20/52/215732052.db2.gz IYRZUEVVTQUMKY-UHFFFAOYSA-N 0 0 345.786 3.706 50 5 EHBARN Cc1cc2ccccc2n1CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000000427875 209592814 /nfs/dbraw/zinc/59/28/14/209592814.db2.gz KPUPEPIIUVKYGL-UHFFFAOYSA-N 0 0 337.379 3.596 50 5 EHBARN Cc1nc(-c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)no1 ZINC000033077090 212896571 /nfs/dbraw/zinc/89/65/71/212896571.db2.gz 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ZINC000020512554 212142083 /nfs/dbraw/zinc/14/20/83/212142083.db2.gz VSHYPHDQQCYUNR-UHFFFAOYSA-N 0 0 336.347 3.557 50 5 EHBARN O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])s1 ZINC000015651353 211837229 /nfs/dbraw/zinc/83/72/29/211837229.db2.gz NXJBQMMIWYKUEM-UHFFFAOYSA-N 0 0 344.314 3.648 50 5 EHBARN O=[N+]([O-])c1cc(Br)cnc1Oc1cncc(Cl)c1 ZINC000081701389 217438022 /nfs/dbraw/zinc/43/80/22/217438022.db2.gz REPYSOYAVPMLHK-UHFFFAOYSA-N 0 0 330.525 3.593 50 5 EHBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000012416241 211373663 /nfs/dbraw/zinc/37/36/63/211373663.db2.gz AYPHNVWXKGDWPV-MRXNPFEDSA-N 0 0 338.367 3.598 50 5 EHBARN COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000012336357 211350859 /nfs/dbraw/zinc/35/08/59/211350859.db2.gz KPPXSCRLTHKKED-UHFFFAOYSA-N 0 0 336.141 3.811 50 5 EHBARN CC(C)c1nnc2n1N1C(=CS[C@H]1c1cccc([N+](=O)[O-])c1)S2 ZINC000012321281 211346707 /nfs/dbraw/zinc/34/67/07/211346707.db2.gz JIZKKWYVWUKXHU-ZDUSSCGKSA-N 0 0 347.425 3.598 50 5 EHBARN O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 ZINC000012289110 211333780 /nfs/dbraw/zinc/33/37/80/211333780.db2.gz OFGJRPGQDHMMQI-ZROIWOOFSA-N 0 0 344.323 3.975 50 5 EHBARN O=C(NCCSc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000009426000 211083044 /nfs/dbraw/zinc/08/30/44/211083044.db2.gz PMRIBUHHRSJFGU-UHFFFAOYSA-N 0 0 336.800 3.770 50 5 EHBARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000009141913 211043868 /nfs/dbraw/zinc/04/38/68/211043868.db2.gz WBTQGDNRTIZPPU-UHFFFAOYSA-N 0 0 331.328 3.569 50 5 EHBARN Cc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000005510310 210476945 /nfs/dbraw/zinc/47/69/45/210476945.db2.gz PWKRHLCMDTWJRE-UHFFFAOYSA-N 0 0 336.750 3.968 50 5 EHBARN O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl ZINC000004966279 210342134 /nfs/dbraw/zinc/34/21/34/210342134.db2.gz ZMCBAUPTUFDUJX-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN COc1ccc(C(F)(F)F)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004839060 210294404 /nfs/dbraw/zinc/29/44/04/210294404.db2.gz 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/nfs/dbraw/zinc/81/36/06/563813606.db2.gz LVQCOEYDORJEEY-UHFFFAOYSA-N 0 0 336.351 3.650 50 5 EHBARN Cc1nn(-c2ccccc2)cc1CCCNc1ncccc1[N+](=O)[O-] ZINC000032923564 563825301 /nfs/dbraw/zinc/82/53/01/563825301.db2.gz VUFRWTNLEZKVKF-UHFFFAOYSA-N 0 0 337.383 3.529 50 5 EHBARN O=C(CSc1nc2cccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC000000080744 563974662 /nfs/dbraw/zinc/97/46/62/563974662.db2.gz BKWCWAQSTOPOHW-UHFFFAOYSA-N 0 0 331.378 3.575 50 5 EHBARN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000102789 563982176 /nfs/dbraw/zinc/98/21/76/563982176.db2.gz UUEUZTAYGDMJLM-UHFFFAOYSA-N 0 0 348.742 3.677 50 5 EHBARN Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000000102902 563982202 /nfs/dbraw/zinc/98/22/02/563982202.db2.gz DTMRLETXBDQWJG-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN Cn1cc(-c2ccc3ccccc3n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC000000112010 563986604 /nfs/dbraw/zinc/98/66/04/563986604.db2.gz BVFLPEZYFZRXBV-UHFFFAOYSA-N 0 0 331.331 3.662 50 5 EHBARN CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])CSC2 ZINC000000189425 563988040 /nfs/dbraw/zinc/98/80/40/563988040.db2.gz YWMMKQWAQWUWIN-UHFFFAOYSA-N 0 0 346.412 3.545 50 5 EHBARN C[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000319230 563990906 /nfs/dbraw/zinc/99/09/06/563990906.db2.gz MHQAZSJEAGSQIT-GFCCVEGCSA-N 0 0 332.787 3.999 50 5 EHBARN Cc1cc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1Cl ZINC000000443590 563999519 /nfs/dbraw/zinc/99/95/19/563999519.db2.gz SHGRDFOUVXMPRD-UHFFFAOYSA-N 0 0 338.722 3.713 50 5 EHBARN O=C(NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1Cl ZINC000000451948 563999711 /nfs/dbraw/zinc/99/97/11/563999711.db2.gz HNADTWCYXYJWRC-UHFFFAOYSA-N 0 0 334.803 3.803 50 5 EHBARN Cc1ccc(C(=O)COC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000000453436 563999743 /nfs/dbraw/zinc/99/97/43/563999743.db2.gz HVFGEKMYYMVFQC-UHFFFAOYSA-N 0 0 333.727 3.596 50 5 EHBARN CCOc1ccccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000005199930 564000382 /nfs/dbraw/zinc/00/03/82/564000382.db2.gz PRPVENFEGJUDKV-UHFFFAOYSA-N 0 0 341.367 3.820 50 5 EHBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000000461061 564000737 /nfs/dbraw/zinc/00/07/37/564000737.db2.gz WRAAIDRNQXEGSU-UHFFFAOYSA-N 0 0 335.315 3.788 50 5 EHBARN CC(C)[C@H]1Oc2ccc([N+](=O)[O-])cc2N(Cc2ccccc2F)C1=O ZINC000061997486 564002630 /nfs/dbraw/zinc/00/26/30/564002630.db2.gz HPSHLUXFBXSHEP-QGZVFWFLSA-N 0 0 344.342 3.684 50 5 EHBARN Cc1cc(C(=O)Nc2nnc(CC(C)(C)C)s2)ccc1[N+](=O)[O-] ZINC000000476742 564006179 /nfs/dbraw/zinc/00/61/79/564006179.db2.gz OTIYEQAQARAAFX-UHFFFAOYSA-N 0 0 334.401 3.596 50 5 EHBARN O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000015011684 564017247 /nfs/dbraw/zinc/01/72/47/564017247.db2.gz BKCLDODIPVFQTK-NTEUORMPSA-N 0 0 342.332 3.541 50 5 EHBARN Cc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1[N+](=O)[O-] ZINC000024484944 564021468 /nfs/dbraw/zinc/02/14/68/564021468.db2.gz SYCSJCSQPHIQIJ-UHFFFAOYSA-N 0 0 349.350 3.689 50 5 EHBARN Cc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC000000572106 564023576 /nfs/dbraw/zinc/02/35/76/564023576.db2.gz BNNSIVCPYGPHEG-UHFFFAOYSA-N 0 0 327.336 3.560 50 5 EHBARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000044686755 564027105 /nfs/dbraw/zinc/02/71/05/564027105.db2.gz WIUOBHLMEHTHDT-INIZCTEOSA-N 0 0 342.395 3.869 50 5 EHBARN CCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000000610149 564031834 /nfs/dbraw/zinc/03/18/34/564031834.db2.gz BKELJGBCNJXFLV-UHFFFAOYSA-N 0 0 332.381 3.968 50 5 EHBARN O=C(Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1)C1CCCCC1 ZINC000000990596 564053850 /nfs/dbraw/zinc/05/38/50/564053850.db2.gz BDGFGDYKTVWVJB-UHFFFAOYSA-N 0 0 346.412 3.556 50 5 EHBARN Cc1ccc(C(=O)C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(C)c1 ZINC000025576835 564056269 /nfs/dbraw/zinc/05/62/69/564056269.db2.gz IJCWXHQKFXNXCW-UHFFFAOYSA-N 0 0 339.395 3.706 50 5 EHBARN Cc1cccc(OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1F ZINC000182969181 564056414 /nfs/dbraw/zinc/05/64/14/564056414.db2.gz GTACAJKYYYKKCM-UHFFFAOYSA-N 0 0 329.287 3.671 50 5 EHBARN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000012525168 564058120 /nfs/dbraw/zinc/05/81/20/564058120.db2.gz JDKLFKMMNYSCNN-GFCCVEGCSA-N 0 0 340.358 3.994 50 5 EHBARN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl ZINC000001230635 564060932 /nfs/dbraw/zinc/06/09/32/564060932.db2.gz GQDWEYBJOJSJCO-UHFFFAOYSA-N 0 0 347.179 3.702 50 5 EHBARN CC(=O)c1ccc(N(Cc2cccc(O)c2)CC2CC2)c([N+](=O)[O-])c1 ZINC000083843718 564063725 /nfs/dbraw/zinc/06/37/25/564063725.db2.gz XKALZKQTBXXSEE-UHFFFAOYSA-N 0 0 340.379 3.920 50 5 EHBARN Cc1nc(Cn2c(C)ncc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000084853295 564070435 /nfs/dbraw/zinc/07/04/35/564070435.db2.gz DDJCVYXACKSVIU-UHFFFAOYSA-N 0 0 332.747 3.765 50 5 EHBARN O=C1OC(c2ccccc2F)=N/C1=C/C=C\c1cccc([N+](=O)[O-])c1 ZINC000006097654 564074062 /nfs/dbraw/zinc/07/40/62/564074062.db2.gz NFHOJPSZUPPXQG-OGTPZPDLSA-N 0 0 338.294 3.635 50 5 EHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000012861895 564075732 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O=C(COc1ccc(Cl)cc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000024952906 1042954453 /nfs/dbraw/zinc/95/44/53/1042954453.db2.gz SCMFRMHOUZLLDL-UHFFFAOYSA-N 0 0 330.727 3.991 50 5 EHBARN Cc1ccc([C@H](C)N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000053212793 214170238 /nfs/dbraw/zinc/17/02/38/214170238.db2.gz HSDWYRWDMBLVTL-LBPRGKRZSA-N 0 0 333.413 3.596 50 5 EHBARN COC(=O)CCCCCCCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004402080 210187172 /nfs/dbraw/zinc/18/71/72/210187172.db2.gz MYFQRWXDTRBVBR-UHFFFAOYSA-N 0 0 336.388 3.827 50 5 EHBARN Cc1ccc2[nH]c3c(cc(O)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000004333615 210173103 /nfs/dbraw/zinc/17/31/03/210173103.db2.gz HEAHTZNDLNUKHA-UHFFFAOYSA-N 0 0 343.338 3.955 50 5 EHBARN Cc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000004297016 210163805 /nfs/dbraw/zinc/16/38/05/210163805.db2.gz ZRYWLQXRQSYAGP-UHFFFAOYSA-N 0 0 334.397 3.629 50 5 EHBARN C[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000004276715 210160267 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258054736 /nfs/dbraw/zinc/05/47/36/258054736.db2.gz URLKTOXBVKGWSZ-UHFFFAOYSA-N 0 0 347.374 3.973 50 5 EHBARN O=C(NC1CCCCCCC1)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000000425580 563309889 /nfs/dbraw/zinc/30/98/89/563309889.db2.gz DJKOFPNORAKBFM-UHFFFAOYSA-N 0 0 349.434 3.690 50 5 EHBARN CC(C)c1ccc(-c2nn3c([nH]c2=O)c2ccccc2nc3=S)cc1 ZINC000071924200 563656844 /nfs/dbraw/zinc/65/68/44/563656844.db2.gz JLFWVBWAZHPRGE-UHFFFAOYSA-N 0 0 348.431 3.717 50 5 EHBARN CC(=O)c1csc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000176704170 563913649 /nfs/dbraw/zinc/91/36/49/563913649.db2.gz UKWBBFVHEYHHHI-UHFFFAOYSA-N 0 0 341.348 3.659 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1csc(Cc2ccccc2)n1 ZINC000033158699 563963978 /nfs/dbraw/zinc/96/39/78/563963978.db2.gz NWDZTRMOJCPFQN-UHFFFAOYSA-N 0 0 339.376 3.894 50 5 EHBARN CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000073502 563973726 /nfs/dbraw/zinc/97/37/26/563973726.db2.gz ALZKRRRNSGECQF-UHFFFAOYSA-N 0 0 349.726 3.644 50 5 EHBARN Cc1ccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1[N+](=O)[O-] ZINC000000149025 563987081 /nfs/dbraw/zinc/98/70/81/563987081.db2.gz SBMLZTVIFFOYOV-UHFFFAOYSA-N 0 0 339.303 3.537 50 5 EHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NC1Cc2ccccc2C1 ZINC000000161661 563987493 /nfs/dbraw/zinc/98/74/93/563987493.db2.gz CHZDSUFBHRQSKZ-UHFFFAOYSA-N 0 0 331.759 3.537 50 5 EHBARN COc1cc2c(cc1OC)C(c1cc(Cl)ccc1[N+](=O)[O-])=NCC2 ZINC000000163413 563987521 /nfs/dbraw/zinc/98/75/21/563987521.db2.gz UCWAPLAIZMBGPF-UHFFFAOYSA-N 0 0 346.770 3.659 50 5 EHBARN O=C(Nc1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000193255 563988221 /nfs/dbraw/zinc/98/82/21/563988221.db2.gz AAAQTVOXDLURPH-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN Cn1c(SCc2ccccc2F)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000000221593 563988798 /nfs/dbraw/zinc/98/87/98/563988798.db2.gz ATUKYTUUNSKGCR-UHFFFAOYSA-N 0 0 344.371 3.822 50 5 EHBARN Cc1cc(C)c2c(N)c(C(=O)Nc3cccc([N+](=O)[O-])c3)sc2n1 ZINC000000303501 563990866 /nfs/dbraw/zinc/99/08/66/563990866.db2.gz 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/nfs/dbraw/zinc/47/95/00/211479500.db2.gz ICDVSCSRDBJBGA-INIZCTEOSA-N 0 0 328.393 3.867 50 5 EHBARN CSc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000012899019 211477283 /nfs/dbraw/zinc/47/72/83/211477283.db2.gz PDBJPFJMIQQCRZ-UHFFFAOYSA-N 0 0 335.410 3.514 50 5 EHBARN CC[C@H](NC(=O)N(C)[C@H](C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000089947858 217892891 /nfs/dbraw/zinc/89/28/91/217892891.db2.gz RCYBOBHNFJBVQD-DYVFJYSZSA-N 0 0 342.399 3.844 50 5 EHBARN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000012137671 211301376 /nfs/dbraw/zinc/30/13/76/211301376.db2.gz YQENIKCWXIATBE-MRXNPFEDSA-N 0 0 332.331 3.838 50 5 EHBARN CSc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1[N+](=O)[O-] ZINC000009457956 211087847 /nfs/dbraw/zinc/08/78/47/211087847.db2.gz ZXPHRAUTAVVULT-UHFFFAOYSA-N 0 0 330.365 3.772 50 5 EHBARN CCn1c(CSc2nc(C)cc(C)n2)nc2cc([N+](=O)[O-])ccc21 ZINC000009421402 211081404 /nfs/dbraw/zinc/08/14/04/211081404.db2.gz JJXOKCBWVKTEHD-UHFFFAOYSA-N 0 0 343.412 3.664 50 5 EHBARN C[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000009009763 211030233 /nfs/dbraw/zinc/03/02/33/211030233.db2.gz DENFATLPEALSAB-SNVBAGLBSA-N 0 0 343.364 3.611 50 5 EHBARN COCc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000095414302 218352050 /nfs/dbraw/zinc/35/20/50/218352050.db2.gz RHXIPDDTWKLECF-UHFFFAOYSA-N 0 0 334.759 3.576 50 5 EHBARN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C1CCCCC1 ZINC000005050520 210376072 /nfs/dbraw/zinc/37/60/72/210376072.db2.gz JXCPVPKUCOGZNI-UHFFFAOYSA-N 0 0 345.443 3.990 50 5 EHBARN O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccc(F)cc3)cccc21 ZINC000004980355 210348129 /nfs/dbraw/zinc/34/81/29/210348129.db2.gz DTWFOPCPUPNTOH-UHFFFAOYSA-N 0 0 346.339 3.688 50 5 EHBARN Cc1c(NC(=O)c2ccc(Br)o2)cccc1[N+](=O)[O-] ZINC000000038394 208555048 /nfs/dbraw/zinc/55/50/48/208555048.db2.gz UUHPNTORVDFWII-UHFFFAOYSA-N 0 0 325.118 3.511 50 5 EHBARN CCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000004892264 210314561 /nfs/dbraw/zinc/31/45/61/210314561.db2.gz FKEFOSJSXZLUEC-CABCVRRESA-N 0 0 326.352 3.736 50 5 EHBARN COc1cc(Cl)c(C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000004833728 210292605 /nfs/dbraw/zinc/29/26/05/210292605.db2.gz BJVSAMFUGCOQLK-UHFFFAOYSA-N 0 0 334.759 3.746 50 5 EHBARN Cc1c(C(=O)Nc2c3nsnc3ccc2Cl)cccc1[N+](=O)[O-] ZINC000004834948 210292115 /nfs/dbraw/zinc/29/21/15/210292115.db2.gz FQOUTZVKDPCPFT-UHFFFAOYSA-N 0 0 348.771 3.814 50 5 EHBARN Cc1ccc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 ZINC000225796162 258072843 /nfs/dbraw/zinc/07/28/43/258072843.db2.gz SRXPTANKMORTJA-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN C[C@@]12C[C@@H](NC(=S)N1c1ccccc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000000424837 135649959 /nfs/dbraw/zinc/64/99/59/135649959.db2.gz NNTXKCDTRZVVGK-RHSMWYFYSA-N 0 0 341.392 3.529 50 5 EHBARN COc1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 ZINC000000457474 563324811 /nfs/dbraw/zinc/32/48/11/563324811.db2.gz VMJHGXJLEWKPDP-UHFFFAOYSA-N 0 0 329.355 3.513 50 5 EHBARN CCN(CC)C(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000001906919 563415852 /nfs/dbraw/zinc/41/58/52/563415852.db2.gz SFHNWYNJQLZDKV-UHFFFAOYSA-N 0 0 332.407 3.606 50 5 EHBARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000032837444 563759638 /nfs/dbraw/zinc/75/96/38/563759638.db2.gz SFMKUKAMQPUELA-XHDPSFHLSA-N 0 0 329.356 3.975 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000032906829 563793067 /nfs/dbraw/zinc/79/30/67/563793067.db2.gz VCUJXKBHPJPBAQ-SJKOYZFVSA-N 0 0 334.803 3.975 50 5 EHBARN CN(C)c1ncc(-c2nnc3c4ccccc4c4ccccc4n23)cn1 ZINC000032509042 563913830 /nfs/dbraw/zinc/91/38/30/563913830.db2.gz ZENMJLMZAQUDOG-UHFFFAOYSA-N 0 0 340.390 3.559 50 5 EHBARN CC[C@](C)(CCCNc1ccc(F)cc1[N+](=O)[O-])C1OCCO1 ZINC000072307585 563915875 /nfs/dbraw/zinc/91/58/75/563915875.db2.gz FLBUGTNFAQXVAH-MRXNPFEDSA-N 0 0 326.368 3.715 50 5 EHBARN CC(=O)Nc1ccc(Cl)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000096427509 563952268 /nfs/dbraw/zinc/95/22/68/563952268.db2.gz VAALJXRIJRLLFO-UHFFFAOYSA-N 0 0 325.777 3.880 50 5 EHBARN COc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000000036046 563967508 /nfs/dbraw/zinc/96/75/08/563967508.db2.gz BWLXOVVQSIUVPQ-UHFFFAOYSA-N 0 0 342.395 3.831 50 5 biogenic EHBARN CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000102093 563982156 /nfs/dbraw/zinc/98/21/56/563982156.db2.gz LMMQCPDIOMQXNL-UHFFFAOYSA-N 0 0 348.742 3.677 50 5 EHBARN CC1CCN(c2nn3c(=O)c4ccccc4nc3c3ccccc32)CC1 ZINC000000137171 563987041 /nfs/dbraw/zinc/98/70/41/563987041.db2.gz LETWSOLWLZNWSX-UHFFFAOYSA-N 0 0 344.418 3.632 50 5 EHBARN O=[N+]([O-])c1cccnc1Sc1nccn1-c1ccccc1Cl ZINC000000141479 563987084 /nfs/dbraw/zinc/98/70/84/563987084.db2.gz VMVIGJRECBFACH-UHFFFAOYSA-N 0 0 332.772 3.980 50 5 EHBARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000000180283 563987826 /nfs/dbraw/zinc/98/78/26/563987826.db2.gz HEVPTZUCKSGHES-KRWDZBQOSA-N 0 0 328.393 3.990 50 5 EHBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000000305899 563990798 /nfs/dbraw/zinc/99/07/98/563990798.db2.gz VVSNYUCKUNQZEE-SNVBAGLBSA-N 0 0 349.184 3.848 50 5 EHBARN Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000000423809 563998387 /nfs/dbraw/zinc/99/83/87/563998387.db2.gz QKVYGTKLFXZOGU-KRWDZBQOSA-N 0 0 328.393 3.990 50 5 EHBARN CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000000444638 563999549 /nfs/dbraw/zinc/99/95/49/563999549.db2.gz JDAOXOIWVXIFLR-UHFFFAOYSA-N 0 0 347.758 3.849 50 5 EHBARN O=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000000454509 563999712 /nfs/dbraw/zinc/99/97/12/563999712.db2.gz QUVOHVOTQSPITP-UHFFFAOYSA-N 0 0 336.141 3.749 50 5 EHBARN Cc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000000453470 563999772 /nfs/dbraw/zinc/99/97/72/563999772.db2.gz UEPBRULJOMTJFS-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN CN(C(=O)c1ccoc1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000180298123 564013255 /nfs/dbraw/zinc/01/32/55/564013255.db2.gz KKGSLXSNAWREIH-UHFFFAOYSA-N 0 0 329.337 3.588 50 5 EHBARN CC(=O)Oc1ccc2c(c1)oc(C)c(-c1ccc([N+](=O)[O-])cc1)c2=O ZINC000000494535 564017868 /nfs/dbraw/zinc/01/78/68/564017868.db2.gz XYAGACADJIYSIU-UHFFFAOYSA-N 0 0 339.303 3.602 50 5 EHBARN O=c1c(-c2ccc([N+](=O)[O-])cc2)coc2c1ccc1c2OCCCO1 ZINC000000494858 564017913 /nfs/dbraw/zinc/01/79/13/564017913.db2.gz OMPIUPAMDIXVMI-UHFFFAOYSA-N 0 0 339.303 3.530 50 5 EHBARN CCCc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl ZINC000000533411 564021987 /nfs/dbraw/zinc/02/19/87/564021987.db2.gz XKYXZCWXCDDFNZ-UHFFFAOYSA-N 0 0 343.770 3.900 50 5 EHBARN O=C(COc1ccc2ccccc2c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005740267 564024778 /nfs/dbraw/zinc/02/47/78/564024778.db2.gz FTMGTOYUKVAOKW-UHFFFAOYSA-N 0 0 340.310 3.905 50 5 EHBARN Cc1nc2nc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)nn2c(C)c1C ZINC000048374584 564031683 /nfs/dbraw/zinc/03/16/83/564031683.db2.gz HIYURJRVXMIBGF-LBPRGKRZSA-N 0 0 343.412 3.811 50 5 EHBARN O=C(NCCc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000081945155 564053331 /nfs/dbraw/zinc/05/33/31/564053331.db2.gz VCTCCVMVUCGGSA-UHFFFAOYSA-N 0 0 339.178 3.874 50 5 EHBARN COc1ccc(C2(CNc3c([N+](=O)[O-])ncn3C)CCCCC2)cc1 ZINC000063255725 564056845 /nfs/dbraw/zinc/05/68/45/564056845.db2.gz JYTLXBOPIYIFIB-UHFFFAOYSA-N 0 0 344.415 3.651 50 5 EHBARN O=[N+]([O-])c1ccc(OCc2nc(Cc3ccccc3)no2)c(Cl)c1 ZINC000031647354 564057847 /nfs/dbraw/zinc/05/78/47/564057847.db2.gz VPSLTZJWRILKGT-UHFFFAOYSA-N 0 0 345.742 3.801 50 5 EHBARN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1-c1ccc(Cl)cc1 ZINC000002508489 564062832 /nfs/dbraw/zinc/06/28/32/564062832.db2.gz FAAWXABFTUGUQL-UHFFFAOYSA-N 0 0 328.759 3.992 50 5 EHBARN C[C@H](c1ccccc1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000015567027 564068272 /nfs/dbraw/zinc/06/82/72/564068272.db2.gz FINALXJQYHSOOW-CYBMUJFWSA-N 0 0 330.409 3.907 50 5 EHBARN C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000012782349 564070127 /nfs/dbraw/zinc/07/01/27/564070127.db2.gz WMEWJRGQKMXTPC-GFCCVEGCSA-N 0 0 340.335 3.597 50 5 EHBARN C[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000006083668 564073654 /nfs/dbraw/zinc/07/36/54/564073654.db2.gz LRPKAQUGJIJCSU-SECBINFHSA-N 0 0 349.730 3.899 50 5 EHBARN O=C(Oc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000006260457 564083357 /nfs/dbraw/zinc/08/33/57/564083357.db2.gz NBKBRXIZPBGJPH-UHFFFAOYSA-N 0 0 340.104 3.716 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC(Nc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000064113972 564085102 /nfs/dbraw/zinc/08/51/02/564085102.db2.gz MOFBMPLDPJPTKI-UHFFFAOYSA-N 0 0 342.355 3.584 50 5 EHBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1 ZINC000006350169 564085278 /nfs/dbraw/zinc/08/52/78/564085278.db2.gz CKFDOJJXIPOALG-UHFFFAOYSA-N 0 0 331.347 3.832 50 5 EHBARN Cc1cc2s/c(=N/C(=O)c3ccc([N+](=O)[O-])cc3)n(C)c2c(C)c1 ZINC000006415059 564085641 /nfs/dbraw/zinc/08/56/41/564085641.db2.gz ZYLUEBLWWFMYTC-ISLYRVAYSA-N 0 0 341.392 3.506 50 5 EHBARN CSc1cccc(NC(=O)OCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000001753758 564087219 /nfs/dbraw/zinc/08/72/19/564087219.db2.gz GLUVWOOGGBBUBB-UHFFFAOYSA-N 0 0 348.380 3.944 50 5 EHBARN CCc1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000017068058 564116330 /nfs/dbraw/zinc/11/63/30/564116330.db2.gz QLFNODZOFZLICV-UHFFFAOYSA-N 0 0 331.397 3.975 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C(C)=O)cc1 ZINC000017071981 564116338 /nfs/dbraw/zinc/11/63/38/564116338.db2.gz HJVQYGLJCFJVGA-UHFFFAOYSA-N 0 0 345.380 3.615 50 5 EHBARN CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000241326121 564122583 /nfs/dbraw/zinc/12/25/83/564122583.db2.gz LZKINTFSGKJVGQ-MRXNPFEDSA-N 0 0 340.379 3.765 50 5 EHBARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000064984769 564134164 /nfs/dbraw/zinc/13/41/64/564134164.db2.gz HEHIETNORNAILL-MRXNPFEDSA-N 0 0 344.371 3.904 50 5 EHBARN Cc1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000390833403 564138785 /nfs/dbraw/zinc/13/87/85/564138785.db2.gz GZUYFCOOBOUSSO-UHFFFAOYSA-N 0 0 333.775 3.617 50 5 EHBARN COc1cccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)c1 ZINC000096003819 564144510 /nfs/dbraw/zinc/14/45/10/564144510.db2.gz YGBYDHYJJBURLK-UHFFFAOYSA-N 0 0 327.365 3.976 50 5 EHBARN CCOC(=O)c1ccnc(N2CCC[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000096413673 564147673 /nfs/dbraw/zinc/14/76/73/564147673.db2.gz YOFKMHYPERYQKG-GFCCVEGCSA-N 0 0 347.396 3.570 50 5 EHBARN Cc1cc(C)cc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000028435649 564151070 /nfs/dbraw/zinc/15/10/70/564151070.db2.gz SCQXYVYVEYZVQW-UHFFFAOYSA-N 0 0 328.368 3.928 50 5 EHBARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000002969633 564153795 /nfs/dbraw/zinc/15/37/95/564153795.db2.gz XOWLOHKIQKZDAG-UHFFFAOYSA-N 0 0 326.230 3.746 50 5 EHBARN Cc1cccc(CSCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000002990822 564154238 /nfs/dbraw/zinc/15/42/38/564154238.db2.gz KYFQCHQMKDZILJ-UHFFFAOYSA-N 0 0 344.436 3.875 50 5 EHBARN CC1=C([N+](=O)[O-])[C@H](c2ccccc2F)NC(=O)N1Cc1ccccc1 ZINC000003102015 564155172 /nfs/dbraw/zinc/15/51/72/564155172.db2.gz BOQYVZWHKUVROY-INIZCTEOSA-N 0 0 341.342 3.600 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004054407 564160258 /nfs/dbraw/zinc/16/02/58/564160258.db2.gz HFDHJBJMACUQKU-UHFFFAOYSA-N 0 0 327.340 3.887 50 5 EHBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1csc(C(C)(C)C)n1 ZINC000171155219 564162975 /nfs/dbraw/zinc/16/29/75/564162975.db2.gz IEZCEHXNLPJWFO-UHFFFAOYSA-N 0 0 347.440 3.550 50 5 EHBARN O=C(c1ccncc1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000069620650 564170960 /nfs/dbraw/zinc/17/09/60/564170960.db2.gz GKSJTLJHAIUJQJ-UHFFFAOYSA-N 0 0 331.759 3.700 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc4ccccc4s3)C2)nc1 ZINC000022806998 568414965 /nfs/dbraw/zinc/41/49/65/568414965.db2.gz AKVZFJHPDAEVEL-LBPRGKRZSA-N 0 0 340.408 3.984 50 5 EHBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000000514190 1043861338 /nfs/dbraw/zinc/86/13/38/1043861338.db2.gz CMGASBTUUYNEPI-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1[N+](=O)[O-] ZINC000004745663 210267252 /nfs/dbraw/zinc/26/72/52/210267252.db2.gz CBRUAMMPCJIORF-UHFFFAOYSA-N 0 0 325.349 3.971 50 5 EHBARN COc1ccc(NC(=O)CCSc2ccccc2)c([N+](=O)[O-])c1 ZINC000004740512 210265022 /nfs/dbraw/zinc/26/50/22/210265022.db2.gz LIYZFDUQRFGEPD-UHFFFAOYSA-N 0 0 332.381 3.724 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1c(F)cccc1Cl ZINC000004704420 210253908 /nfs/dbraw/zinc/25/39/08/210253908.db2.gz MFOSWGZKKPSIPF-UHFFFAOYSA-N 0 0 338.722 3.577 50 5 EHBARN COc1ccc(NC(=O)c2ccc(SC)cc2OC)c([N+](=O)[O-])c1 ZINC000004675579 210242343 /nfs/dbraw/zinc/24/23/43/210242343.db2.gz PUYSVKVXBGSSDI-UHFFFAOYSA-N 0 0 348.380 3.586 50 5 EHBARN O=C(Nc1c2ccccc2nc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000003879109 210083870 /nfs/dbraw/zinc/08/38/70/210083870.db2.gz WRZIXPCITRZEJO-UHFFFAOYSA-N 0 0 343.342 3.970 50 5 EHBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)c1ccccc1 ZINC000003413359 210031581 /nfs/dbraw/zinc/03/15/81/210031581.db2.gz OFLSIEYMNPNDNS-LLVKDONJSA-N 0 0 334.759 3.679 50 5 EHBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)c1ccccc1 ZINC000003413355 210031699 /nfs/dbraw/zinc/03/16/99/210031699.db2.gz OFLSIEYMNPNDNS-NSHDSACASA-N 0 0 334.759 3.679 50 5 EHBARN Cc1nn(CC(=O)c2ccc3c(c2)-c2ccccc2C3)c(C)c1[N+](=O)[O-] ZINC000003334811 210010509 /nfs/dbraw/zinc/01/05/09/210010509.db2.gz LKTVTDVFTHECPW-UHFFFAOYSA-N 0 0 347.374 3.862 50 5 EHBARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000003221305 209981152 /nfs/dbraw/zinc/98/11/52/209981152.db2.gz DKEBTZJOGWCWHX-UHFFFAOYSA-N 0 0 330.321 3.668 50 5 EHBARN CNc1ccccc1C(C)(C)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000003206450 209978224 /nfs/dbraw/zinc/97/82/24/209978224.db2.gz BYHJRVCGDHLHMY-UHFFFAOYSA-N 0 0 337.383 3.543 50 5 EHBARN Cc1c(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000067662411 215176765 /nfs/dbraw/zinc/17/67/65/215176765.db2.gz YTZRATORDFGIPF-HIFRSBDPSA-N 0 0 329.331 3.720 50 5 EHBARN CCN(CC)c1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cn1 ZINC000040153723 213275193 /nfs/dbraw/zinc/27/51/93/213275193.db2.gz DVKIKRFERAUDDX-UHFFFAOYSA-N 0 0 328.372 3.782 50 5 EHBARN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C 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CCc1nc2nc(-c3cccc([N+](=O)[O-])c3)cc(-c3ccco3)n2n1 ZINC000009287684 211060957 /nfs/dbraw/zinc/06/09/57/211060957.db2.gz LYPVMQOGUMVAOB-UHFFFAOYSA-N 0 0 335.323 3.522 50 5 EHBARN Cc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1 ZINC000008771432 211003738 /nfs/dbraw/zinc/00/37/38/211003738.db2.gz BUYSZSVRJZOGGZ-GXDHUFHOSA-N 0 0 333.347 3.557 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2nsnc2c1 ZINC000008072162 210890644 /nfs/dbraw/zinc/89/06/44/210890644.db2.gz AHDZHJWNOHRBRN-UHFFFAOYSA-N 0 0 334.744 3.505 50 5 EHBARN COc1ccccc1COC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000007985497 210874939 /nfs/dbraw/zinc/87/49/39/210874939.db2.gz FXQDWEUWFLZDDX-UHFFFAOYSA-N 0 0 333.365 3.682 50 5 EHBARN Cc1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1[N+](=O)[O-] ZINC000007765782 210843501 /nfs/dbraw/zinc/84/35/01/210843501.db2.gz DGVZLKLXJMIVKT-UHFFFAOYSA-N 0 0 344.348 3.977 50 5 EHBARN Cc1[nH]nc2c1[C@H](c1ccccc1[N+](=O)[O-])N(c1ccc(C)cc1)C2=O ZINC000005818286 210542716 /nfs/dbraw/zinc/54/27/16/210542716.db2.gz 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CCOC(=O)CCc1ccc2c(c1)N[C@H](c1ccc([N+](=O)[O-])s1)O2 ZINC000000094485 563976482 /nfs/dbraw/zinc/97/64/82/563976482.db2.gz ZXHIMZHFDXCWSC-INIZCTEOSA-N 0 0 348.380 3.655 50 5 EHBARN CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000102795 563982175 /nfs/dbraw/zinc/98/21/75/563982175.db2.gz JRDAITKKMABVFQ-UHFFFAOYSA-N 0 0 348.742 3.677 50 5 EHBARN Cc1cccc(C)c1NC(=O)CSC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000150531 563987369 /nfs/dbraw/zinc/98/73/69/563987369.db2.gz MTWYQIHJZPYUPE-UHFFFAOYSA-N 0 0 344.392 3.724 50 5 EHBARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000000180281 563987825 /nfs/dbraw/zinc/98/78/25/563987825.db2.gz HEVPTZUCKSGHES-QGZVFWFLSA-N 0 0 328.393 3.990 50 5 EHBARN Cc1ccc(N2C(=S)N=NC2c2cccc([N+](=O)[O-])c2)cc1C ZINC000000221601 563988841 /nfs/dbraw/zinc/98/88/41/563988841.db2.gz IKKGHDIPIKXZCD-UHFFFAOYSA-N 0 0 326.381 3.748 50 5 EHBARN Cc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000000304398 563990766 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O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1F ZINC000014898775 564032775 /nfs/dbraw/zinc/03/27/75/564032775.db2.gz DRTBMRHWKDMDQF-UHFFFAOYSA-N 0 0 337.738 3.828 50 5 EHBARN O=C1NC(=S)SC1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000001216568 564056590 /nfs/dbraw/zinc/05/65/90/564056590.db2.gz URVIRCVXYRWMIM-XYOKQWHBSA-N 0 0 331.378 3.715 50 5 EHBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC000012555688 564059332 /nfs/dbraw/zinc/05/93/32/564059332.db2.gz VHEKCJKQZXKMEA-UHFFFAOYSA-N 0 0 335.310 3.704 50 5 EHBARN Cc1c([N+](=O)[O-])nnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001383814 564063922 /nfs/dbraw/zinc/06/39/22/564063922.db2.gz HCHHHHGBXIIWCO-UHFFFAOYSA-N 0 0 340.183 3.522 50 5 EHBARN Cc1ccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)cc1C ZINC000001385548 564063945 /nfs/dbraw/zinc/06/39/45/564063945.db2.gz DIZPSQDTBTVPMP-UHFFFAOYSA-N 0 0 336.351 3.650 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ncoc1-c1ccc(F)cc1 ZINC000184820077 564067061 /nfs/dbraw/zinc/06/70/61/564067061.db2.gz 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ZINC000006667465 564095564 /nfs/dbraw/zinc/09/55/64/564095564.db2.gz NHSVKGHNIWPVCK-LJQANCHMSA-N 0 0 335.363 3.570 50 5 EHBARN Cc1cccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000006785571 564097734 /nfs/dbraw/zinc/09/77/34/564097734.db2.gz UZTNBBIIRROMIO-UHFFFAOYSA-N 0 0 333.775 3.916 50 5 EHBARN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000065590554 564107858 /nfs/dbraw/zinc/10/78/58/564107858.db2.gz MWMCRVGFWJTMDU-UHFFFAOYSA-N 0 0 349.390 3.847 50 5 EHBARN C[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 ZINC000089598283 564112626 /nfs/dbraw/zinc/11/26/26/564112626.db2.gz PAFLJBPIIUUBFY-JTQLQIEISA-N 0 0 327.365 3.835 50 5 EHBARN CC[C@@H](NC(=O)N(C)[C@H](C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000089947859 564115681 /nfs/dbraw/zinc/11/56/81/564115681.db2.gz RCYBOBHNFJBVQD-CXAGYDPISA-N 0 0 342.399 3.844 50 5 EHBARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000064984799 564134158 /nfs/dbraw/zinc/13/41/58/564134158.db2.gz YTODHIUTSXPZBV-OAHLLOKOSA-N 0 0 344.371 3.904 50 5 EHBARN CC(=O)N1N=C(c2c(C)coc2C)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000079112433 564137974 /nfs/dbraw/zinc/13/79/74/564137974.db2.gz PUJKMJGMLILPGS-MRXNPFEDSA-N 0 0 327.340 3.502 50 5 EHBARN CC(C)CC(=O)N[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000096275624 564146227 /nfs/dbraw/zinc/14/62/27/564146227.db2.gz JIPQBHBCNAQAIG-HNNXBMFYSA-N 0 0 346.387 3.504 50 5 EHBARN Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000002679115 564152105 /nfs/dbraw/zinc/15/21/05/564152105.db2.gz WKAFVZATAWKXNB-UHFFFAOYSA-N 0 0 335.381 3.794 50 5 EHBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1Oc1ccccc1O ZINC000003177527 564155683 /nfs/dbraw/zinc/15/56/83/564155683.db2.gz HCQSCQFABVKIQF-UHFFFAOYSA-N 0 0 325.324 3.895 50 5 EHBARN Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000003182997 564155753 /nfs/dbraw/zinc/15/57/53/564155753.db2.gz HGGMNRFOIXYDPE-RIYZIHGNSA-N 0 0 342.738 3.901 50 5 EHBARN O=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000058300520 564158415 /nfs/dbraw/zinc/15/84/15/564158415.db2.gz PABHCLOUDKLWJT-UHFFFAOYSA-N 0 0 328.343 3.933 50 5 EHBARN CCN(Cc1ccc2ccccc2n1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069701515 564171584 /nfs/dbraw/zinc/17/15/84/564171584.db2.gz OOGWAUAVLJNCCJ-UHFFFAOYSA-N 0 0 349.390 3.734 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(Oc2ccccn2)c1 ZINC000173580968 564171751 /nfs/dbraw/zinc/17/17/51/564171751.db2.gz BOPIVLHKUHTQRF-UHFFFAOYSA-N 0 0 349.346 3.963 50 5 EHBARN O=[N+]([O-])c1ccnn1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000048367115 1042322953 /nfs/dbraw/zinc/32/29/53/1042322953.db2.gz GYWHPOVDPPQZER-UHFFFAOYSA-N 0 0 341.198 3.720 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCCCCC2)cc1NCc1cccnc1 ZINC000004740944 210265177 /nfs/dbraw/zinc/26/51/77/210265177.db2.gz OBNASWYHFLDSSQ-UHFFFAOYSA-N 0 0 326.400 3.982 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000053751570 214196833 /nfs/dbraw/zinc/19/68/33/214196833.db2.gz QJILAGVZVUCKTK-OAHLLOKOSA-N 0 0 345.330 3.769 50 5 EHBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl ZINC000004699871 210252553 /nfs/dbraw/zinc/25/25/53/210252553.db2.gz WARSELSUALLKII-UHFFFAOYSA-N 0 0 334.803 3.947 50 5 EHBARN C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000054827590 214257313 /nfs/dbraw/zinc/25/73/13/214257313.db2.gz JVRCVMKTPILZEX-MRVPVSSYSA-N 0 0 340.166 3.788 50 5 EHBARN Cc1cccc([C@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])c1 ZINC000054837362 214257156 /nfs/dbraw/zinc/25/71/56/214257156.db2.gz SFOWQJJIBURKOQ-CYBMUJFWSA-N 0 0 328.397 3.954 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055101919 214272927 /nfs/dbraw/zinc/27/29/27/214272927.db2.gz PFYSKUMOYDZMNA-UHFFFAOYSA-N 0 0 341.367 3.712 50 5 EHBARN COc1ccc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000004680277 210246383 /nfs/dbraw/zinc/24/63/83/210246383.db2.gz DZVCCYFYCNTBSM-UHFFFAOYSA-N 0 0 332.331 3.704 50 5 EHBARN O=[N+]([O-])c1ccc2cnn(CN(Cc3cccc(F)c3)C3CC3)c2c1 ZINC000057993059 214468366 /nfs/dbraw/zinc/46/83/66/214468366.db2.gz 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/nfs/dbraw/zinc/09/98/94/210099894.db2.gz PIWIBDWJYPTUAW-UHFFFAOYSA-N 0 0 326.139 3.736 50 5 EHBARN Cc1cc(C)c(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000003370976 210020200 /nfs/dbraw/zinc/02/02/00/210020200.db2.gz NFFXZKXOWBECLM-UHFFFAOYSA-N 0 0 341.363 3.868 50 5 EHBARN COc1ccccc1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003342663 210013440 /nfs/dbraw/zinc/01/34/40/210013440.db2.gz HIJOEBLTYIISLM-JTQLQIEISA-N 0 0 349.774 3.696 50 5 EHBARN CCOc1ccc(NC(=O)CSc2ccsc2[N+](=O)[O-])cc1 ZINC000003030648 209956147 /nfs/dbraw/zinc/95/61/47/209956147.db2.gz GSPWPZNQQKHRQW-UHFFFAOYSA-N 0 0 338.410 3.786 50 5 EHBARN Cc1cccc(C)c1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104229269 219362607 /nfs/dbraw/zinc/36/26/07/219362607.db2.gz GWAKRGRGQQWUGL-UHFFFAOYSA-N 0 0 332.272 3.772 50 5 EHBARN CCSc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cn1 ZINC000068664946 215325868 /nfs/dbraw/zinc/32/58/68/215325868.db2.gz UCXLJVKMVGTRCW-UHFFFAOYSA-N 0 0 339.323 3.632 50 5 EHBARN COc1ccccc1[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068814786 215337401 /nfs/dbraw/zinc/33/74/01/215337401.db2.gz ASCDKRYGHDIWFH-KRWDZBQOSA-N 0 0 340.379 3.510 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2F)on1 ZINC000040087681 213260101 /nfs/dbraw/zinc/26/01/01/213260101.db2.gz PDNDCHKQAXJKRX-UHFFFAOYSA-N 0 0 327.271 3.641 50 5 EHBARN CCc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000040069474 213256726 /nfs/dbraw/zinc/25/67/26/213256726.db2.gz QSIIZNDBGILSCQ-XBXARRHUSA-N 0 0 340.335 3.538 50 5 EHBARN CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000038843102 213227954 /nfs/dbraw/zinc/22/79/54/213227954.db2.gz ZYMMCZDHFJZAEQ-UHFFFAOYSA-N 0 0 340.351 3.512 50 5 EHBARN COc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)c1 ZINC000000461307 209615714 /nfs/dbraw/zinc/61/57/14/209615714.db2.gz IWLPLYWLUUDBIA-UHFFFAOYSA-N 0 0 348.314 3.557 50 5 EHBARN Cc1ccc(C(=O)Nc2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1C ZINC000000381306 209560958 /nfs/dbraw/zinc/56/09/58/209560958.db2.gz JFMLOXULFNVTIX-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(OC)cc1Cl ZINC000000340363 209541627 /nfs/dbraw/zinc/54/16/27/209541627.db2.gz ZYQOUGVTEJCFRD-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN Cc1ccc([N+](=O)[O-])c(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)c1 ZINC000000178471 209466289 /nfs/dbraw/zinc/46/62/89/209466289.db2.gz MGOPXFMHSDTXRQ-ZROIWOOFSA-N 0 0 342.738 3.901 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nn3c(nnc3-c3ccc(F)cc3)s2)cc1 ZINC000000048480 209388868 /nfs/dbraw/zinc/38/88/68/209388868.db2.gz OOKHOQVXNSZHLK-UHFFFAOYSA-N 0 0 341.327 3.567 50 5 EHBARN C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000022357683 212293704 /nfs/dbraw/zinc/29/37/04/212293704.db2.gz AUUCCTGLHIIENJ-RYUDHWBXSA-N 0 0 341.839 3.548 50 5 EHBARN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2csc(C(C)C)n2)c1 ZINC000079310824 217206790 /nfs/dbraw/zinc/20/67/90/217206790.db2.gz KCFZLMCBRXWDLZ-SNVBAGLBSA-N 0 0 349.412 3.674 50 5 EHBARN O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000011913879 211268655 /nfs/dbraw/zinc/26/86/55/211268655.db2.gz QHQFDQGJOVVMFU-UHFFFAOYSA-N 0 0 345.261 3.780 50 5 EHBARN COc1ccc(-c2cc(COc3cccc([N+](=O)[O-])c3)on2)cc1 ZINC000011148004 211205987 /nfs/dbraw/zinc/20/59/87/211205987.db2.gz HHHWUMOUARNDIL-UHFFFAOYSA-N 0 0 326.308 3.837 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccc(C)o1 ZINC000095397922 218330579 /nfs/dbraw/zinc/33/05/79/218330579.db2.gz ZREDTNHGYVDQSI-AWEZNQCLSA-N 0 0 345.355 3.874 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1C ZINC000007778537 210845281 /nfs/dbraw/zinc/84/52/81/210845281.db2.gz BACJYBVPLFMHPH-UHFFFAOYSA-N 0 0 332.381 3.643 50 5 EHBARN Cc1cccc(Nc2nc(Nc3ccccc3)nc(N)c2[N+](=O)[O-])c1 ZINC000006394118 210628037 /nfs/dbraw/zinc/62/80/37/210628037.db2.gz GDWLWAVSGBMACN-UHFFFAOYSA-N 0 0 336.355 3.763 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1Cl ZINC000005120001 210393177 /nfs/dbraw/zinc/39/31/77/210393177.db2.gz JJEFIGHXHAFPQG-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000005092584 210388289 /nfs/dbraw/zinc/38/82/89/210388289.db2.gz VUHRMQSFNSGDGJ-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005094455 210388064 /nfs/dbraw/zinc/38/80/64/210388064.db2.gz BDHVSTQWYVKZOH-QHHAFSJGSA-N 0 0 346.726 3.629 50 5 EHBARN CCCCNc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000005050745 210375762 /nfs/dbraw/zinc/37/57/62/210375762.db2.gz JPDKWVZBUPZJDP-UHFFFAOYSA-N 0 0 328.372 3.763 50 5 EHBARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000005061409 210380341 /nfs/dbraw/zinc/38/03/41/210380341.db2.gz AVCSHXMWIZEQHS-ZROIWOOFSA-N 0 0 328.711 3.593 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000004902568 210317173 /nfs/dbraw/zinc/31/71/73/210317173.db2.gz GYPARRBQFZLPPW-NSHDSACASA-N 0 0 334.759 3.963 50 5 EHBARN Cc1ccc(N2C(=N)C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000004795914 210280228 /nfs/dbraw/zinc/28/02/28/210280228.db2.gz MGLSVAMNEORJTD-UHFFFAOYSA-N 0 0 340.364 3.654 50 5 EHBARN Cc1csc2nc(CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)cn12 ZINC000004786385 210278600 /nfs/dbraw/zinc/27/86/00/210278600.db2.gz BESCNUNMUCNHKS-UHFFFAOYSA-N 0 0 345.409 3.781 50 5 EHBARN CC(=O)Nc1ccc(OC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004771214 210274604 /nfs/dbraw/zinc/27/46/04/210274604.db2.gz MJBNPPHFRCAMPD-UHFFFAOYSA-N 0 0 349.730 3.818 50 5 EHBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000055184998 132194458 /nfs/dbraw/zinc/19/44/58/132194458.db2.gz LKKKMIXCWUVEJC-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN Cc1cccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000055543038 132195501 /nfs/dbraw/zinc/19/55/01/132195501.db2.gz KWAKSLXDMNURNS-UHFFFAOYSA-N 0 0 325.412 3.534 50 5 EHBARN Cc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000027856 563963216 /nfs/dbraw/zinc/96/32/16/563963216.db2.gz DIHFPAJQIMYTFT-ZSOIEALJSA-N 0 0 342.738 3.901 50 5 EHBARN O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(Br)o2)o1 ZINC000000039021 563967499 /nfs/dbraw/zinc/96/74/99/563967499.db2.gz PTNXLIJAZCEQQP-UHFFFAOYSA-N 0 0 336.101 3.667 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097113222 563967877 /nfs/dbraw/zinc/96/78/77/563967877.db2.gz QJTLIGMXTJAFRP-CYBMUJFWSA-N 0 0 349.778 3.730 50 5 EHBARN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cc2ccccc2o1 ZINC000000117791 563986698 /nfs/dbraw/zinc/98/66/98/563986698.db2.gz OJHXPQRCFGSRTM-CMDGGOBGSA-N 0 0 339.303 3.908 50 5 EHBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000188533 563987883 /nfs/dbraw/zinc/98/78/83/563987883.db2.gz VYMGESDVYHCXPR-UHFFFAOYSA-N 0 0 348.380 3.702 50 5 EHBARN O=C(Nc1cc2cccc([N+](=O)[O-])c2oc1=O)c1ccc(Cl)cc1 ZINC000000264258 563989862 /nfs/dbraw/zinc/98/98/62/563989862.db2.gz DJEMWDXNTWGKNC-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1F ZINC000000423984 563998394 /nfs/dbraw/zinc/99/83/94/563998394.db2.gz YIOIWXIHLXSGPX-HNNXBMFYSA-N 0 0 336.319 3.652 50 5 EHBARN O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000000445636 563999567 /nfs/dbraw/zinc/99/95/67/563999567.db2.gz WXVYJXBCGFWGOF-UHFFFAOYSA-N 0 0 345.830 3.566 50 5 EHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCO2 ZINC000005678205 564017682 /nfs/dbraw/zinc/01/76/82/564017682.db2.gz RDKXVRQZZGCJOT-NEPJUHHUSA-N 0 0 345.738 3.963 50 5 EHBARN Cc1ccc2[nH]c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc2c1 ZINC000005687255 564018503 /nfs/dbraw/zinc/01/85/03/564018503.db2.gz BJJFVMUIJISVBL-UHFFFAOYSA-N 0 0 342.380 3.510 50 5 EHBARN Cc1ccc([C@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000520825 564020979 /nfs/dbraw/zinc/02/09/79/564020979.db2.gz URUHSVUUYGSFBK-QGZVFWFLSA-N 0 0 328.393 3.791 50 5 EHBARN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000000552359 564022996 /nfs/dbraw/zinc/02/29/96/564022996.db2.gz DADKQQCOBPIYIU-UHFFFAOYSA-N 0 0 328.349 3.549 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc2ccccc21 ZINC000000567872 564023232 /nfs/dbraw/zinc/02/32/32/564023232.db2.gz UZAUPSOVWRKZAD-UHFFFAOYSA-N 0 0 336.347 3.938 50 5 EHBARN O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2ccccc2C2CC2)c1 ZINC000341464062 564024223 /nfs/dbraw/zinc/02/42/23/564024223.db2.gz OYTUREHEMUGCFI-UHFFFAOYSA-N 0 0 331.393 3.587 50 5 EHBARN Cc1nc(N2CCC[C@@H](c3c[nH]c4ncccc34)C2)ccc1[N+](=O)[O-] ZINC000585132661 564052677 /nfs/dbraw/zinc/05/26/77/564052677.db2.gz JYIKSSKFMYFUOO-CYBMUJFWSA-N 0 0 337.383 3.559 50 5 EHBARN CCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000001007614 564053959 /nfs/dbraw/zinc/05/39/59/564053959.db2.gz LGLFDVSNBUEAJW-ZROIWOOFSA-N 0 0 344.348 3.911 50 5 EHBARN O=[N+]([O-])c1ncccc1OCc1csc(Nc2ccccc2)n1 ZINC000025677671 564062691 /nfs/dbraw/zinc/06/26/91/564062691.db2.gz AGZDXNKVPDUZOA-UHFFFAOYSA-N 0 0 328.353 3.769 50 5 EHBARN O=[N+]([O-])c1ccc([C@@H]2OCCCN2C(=S)Nc2ccccc2)cc1 ZINC000001314773 564063104 /nfs/dbraw/zinc/06/31/04/564063104.db2.gz FANBXPJUBYGSQY-INIZCTEOSA-N 0 0 343.408 3.713 50 5 EHBARN O=[N+]([O-])c1cccc(C2=NNc3cc(Cl)c(Cl)cc3N2O)c1 ZINC000025759877 564063162 /nfs/dbraw/zinc/06/31/62/564063162.db2.gz YTKJJZWXXBNJKX-UHFFFAOYSA-N 0 0 339.138 3.885 50 5 EHBARN O=[N+]([O-])c1c(N2CCC[C@H]2CCc2ccccc2)nc2ccccn21 ZINC000084528488 564068584 /nfs/dbraw/zinc/06/85/84/564068584.db2.gz WIJWEQNBLWZEOB-INIZCTEOSA-N 0 0 336.395 3.844 50 5 EHBARN Cc1ccccc1OCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000012920589 564078297 /nfs/dbraw/zinc/07/82/97/564078297.db2.gz YOUGBBKOCJXNIR-UHFFFAOYSA-N 0 0 340.379 3.652 50 5 EHBARN O=[N+]([O-])c1ccccc1CSc1nccn1Cc1ccccn1 ZINC000075137807 564080580 /nfs/dbraw/zinc/08/05/80/564080580.db2.gz PLHHYTKBYFZDHP-UHFFFAOYSA-N 0 0 326.381 3.527 50 5 EHBARN O=[N+]([O-])c1c(N[C@@H]2CCc3cc(Cl)ccc32)nc2ccccn21 ZINC000089878844 564114639 /nfs/dbraw/zinc/11/46/39/564114639.db2.gz CRDCDZQZOUPVNF-CYBMUJFWSA-N 0 0 328.759 3.995 50 5 EHBARN Cc1nn(C)c(N2CCC(c3c[nH]c4ccccc34)CC2)c1[N+](=O)[O-] ZINC000076421459 564116616 /nfs/dbraw/zinc/11/66/16/564116616.db2.gz OGZWWGUZESTNKC-UHFFFAOYSA-N 0 0 339.399 3.502 50 5 EHBARN Cc1nn(CCC(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000252516507 564120276 /nfs/dbraw/zinc/12/02/76/564120276.db2.gz SWWRNQVOODZYGO-OWCLPIDISA-N 0 0 349.431 3.700 50 5 EHBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065814927 564121320 /nfs/dbraw/zinc/12/13/20/564121320.db2.gz DXSHTCGRAJVYOB-KCXRBIIJSA-N 0 0 334.803 3.899 50 5 EHBARN C[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)c1cccc([N+](=O)[O-])c1 ZINC000195552410 564123714 /nfs/dbraw/zinc/12/37/14/564123714.db2.gz JYECPWWZXZQNOI-GFCCVEGCSA-N 0 0 325.368 3.677 50 5 EHBARN C[C@H](Sc1nnc(C(F)(F)F)n1C)c1cccc([N+](=O)[O-])c1 ZINC000007817456 564124019 /nfs/dbraw/zinc/12/40/19/564124019.db2.gz SFMDTIZZQWIOMZ-ZETCQYMHSA-N 0 0 332.307 3.595 50 5 EHBARN Cc1ncc(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(C2CC2)n1 ZINC000253426066 564131114 /nfs/dbraw/zinc/13/11/14/564131114.db2.gz AQPQHQMYWLWWNK-UHFFFAOYSA-N 0 0 346.774 3.785 50 5 EHBARN CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000007949596 564135528 /nfs/dbraw/zinc/13/55/28/564135528.db2.gz AWIKSYGAEJFOJU-JTQLQIEISA-N 0 0 332.381 3.692 50 5 EHBARN Cc1cc(C)c(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000096009475 564144661 /nfs/dbraw/zinc/14/46/61/564144661.db2.gz WJBTVZWTCIGQGV-UHFFFAOYSA-N 0 0 331.397 3.646 50 5 EHBARN CCc1cc(N(C)Cc2ccccn2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057139942 564153297 /nfs/dbraw/zinc/15/32/97/564153297.db2.gz ZELXEMWLKLRRGD-UHFFFAOYSA-N 0 0 349.394 3.646 50 5 EHBARN CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1c(C)noc1C ZINC000162941056 564155486 /nfs/dbraw/zinc/15/54/86/564155486.db2.gz HTESOCVXDRDWLQ-CYBMUJFWSA-N 0 0 332.360 3.781 50 5 EHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000003525209 564158704 /nfs/dbraw/zinc/15/87/04/564158704.db2.gz AMIRMIRYUSHMAV-UHFFFAOYSA-N 0 0 325.242 3.971 50 5 EHBARN CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000008327141 564164429 /nfs/dbraw/zinc/16/44/29/564164429.db2.gz BSDASJWMTFIWEI-LLVKDONJSA-N 0 0 342.351 3.569 50 5 EHBARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000008496623 564165509 /nfs/dbraw/zinc/16/55/09/564165509.db2.gz REPHVOWEVGDMCG-OAHLLOKOSA-N 0 0 332.331 3.838 50 5 EHBARN CCCNc1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-] ZINC000008587161 564165895 /nfs/dbraw/zinc/16/58/95/564165895.db2.gz PVTHJVLXZATVAI-UHFFFAOYSA-N 0 0 325.328 3.529 50 5 EHBARN CC1CCN(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000008707462 564166533 /nfs/dbraw/zinc/16/65/33/564166533.db2.gz AAGRVHWROPDIOG-OAHLLOKOSA-N 0 0 345.443 3.703 50 5 EHBARN Cc1cccc(C(=O)NCc2nc(C(C)(C)C)cs2)c1[N+](=O)[O-] ZINC000069536805 564170310 /nfs/dbraw/zinc/17/03/10/564170310.db2.gz DGSWFBUPGCDDSG-UHFFFAOYSA-N 0 0 333.413 3.587 50 5 EHBARN O=C(/C=C/c1ccc(Br)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000003179897 1138081315 /nfs/dbraw/zinc/08/13/15/1138081315.db2.gz KPJZUEBKYHQKMQ-FNORWQNLSA-N 0 0 337.129 3.602 50 5 EHBARN Cc1cc(C(=O)CCC(=O)NCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000053867290 214202334 /nfs/dbraw/zinc/20/23/34/214202334.db2.gz SZRYJVUMJSMFEE-UHFFFAOYSA-N 0 0 346.408 3.552 50 5 EHBARN O=C(c1cccc(COc2ccccc2[N+](=O)[O-])c1)N1CCCCC1 ZINC000054912400 214259769 /nfs/dbraw/zinc/25/97/69/214259769.db2.gz BQCPSZZWCTVDQT-UHFFFAOYSA-N 0 0 340.379 3.800 50 5 EHBARN Cc1cccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 ZINC000004695551 210250700 /nfs/dbraw/zinc/25/07/00/210250700.db2.gz KAULGFHQUJOEPY-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN CCCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCc2ccccc2C1 ZINC000056351407 214371851 /nfs/dbraw/zinc/37/18/51/214371851.db2.gz ZWXUOJBZKUEDHH-HNNXBMFYSA-N 0 0 328.368 3.598 50 5 EHBARN COc1cc(SC)ccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004675201 210242226 /nfs/dbraw/zinc/24/22/26/210242226.db2.gz HEIUGJZLZGYFEH-UHFFFAOYSA-N 0 0 332.381 3.886 50 5 EHBARN O=C1OC(c2ccccc2)=NC1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004644242 210236599 /nfs/dbraw/zinc/23/65/99/210236599.db2.gz WHRNNWYRUUAXPN-LCYFTJDESA-N 0 0 343.726 3.505 50 5 EHBARN O=[N+]([O-])c1ccc(Oc2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000100490966 219100659 /nfs/dbraw/zinc/10/06/59/219100659.db2.gz MMWWXNWAJMZLFW-UHFFFAOYSA-N 0 0 339.647 3.857 50 5 EHBARN O=C1Nc2ccc(Br)cc2[C@@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000101015829 219113878 /nfs/dbraw/zinc/11/38/78/219113878.db2.gz WZGHEUSFJZLQIM-ZDUSSCGKSA-N 0 0 347.168 3.636 50 5 EHBARN O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccc([N+](=O)[O-])s1 ZINC000004224045 210146769 /nfs/dbraw/zinc/14/67/69/210146769.db2.gz NZABIKXMLVHLKO-UHFFFAOYSA-N 0 0 343.389 3.936 50 5 EHBARN CCCCCC[C@@H]1C[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004110478 210121993 /nfs/dbraw/zinc/12/19/93/210121993.db2.gz DHFWVGQJAFQZFG-XJKSGUPXSA-N 0 0 348.399 3.826 50 5 EHBARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCCCC1 ZINC000004086362 210116755 /nfs/dbraw/zinc/11/67/55/210116755.db2.gz DGAFVAKVFXOKOX-CSKARUKUSA-N 0 0 326.352 3.881 50 5 EHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC1CCCCC1 ZINC000003902727 210089382 /nfs/dbraw/zinc/08/93/82/210089382.db2.gz QFUVRPKJCGXSCX-UHFFFAOYSA-N 0 0 334.419 3.604 50 5 EHBARN C[C@H](c1ccccn1)N(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000067985636 215267651 /nfs/dbraw/zinc/26/76/51/215267651.db2.gz SNLTYVLSMUNRCE-SNVBAGLBSA-N 0 0 347.321 3.634 50 5 EHBARN CCCCOC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000001797651 209795148 /nfs/dbraw/zinc/79/51/48/209795148.db2.gz KZZWGUXVZIJTTP-UHFFFAOYSA-N 0 0 326.348 3.668 50 5 EHBARN Cc1ccc(NC(=O)NCCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000040095640 213263565 /nfs/dbraw/zinc/26/35/65/213263565.db2.gz XONCNDKYHNHMCU-UHFFFAOYSA-N 0 0 335.404 3.764 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000001425408 209746781 /nfs/dbraw/zinc/74/67/81/209746781.db2.gz OTVBQXYYDPSSDF-IBGZPJMESA-N 0 0 347.374 3.642 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000000620106 209683999 /nfs/dbraw/zinc/68/39/99/209683999.db2.gz XWOLRMXFZPBXJC-UHFFFAOYSA-N 0 0 341.367 3.750 50 5 EHBARN O=[N+]([O-])c1cccc([C@H]2c3cccn3CCCN2Cc2cccnc2)c1 ZINC000037522410 213153132 /nfs/dbraw/zinc/15/31/32/213153132.db2.gz FZQOULUSLRWQCR-FQEVSTJZSA-N 0 0 348.406 3.787 50 5 EHBARN CSc1nc(=S)n(-c2ccc([N+](=O)[O-])cc2)c(C)c1C(C)=O ZINC000000441362 209601250 /nfs/dbraw/zinc/60/12/50/209601250.db2.gz HGAGAPNBGVTBDF-UHFFFAOYSA-N 0 0 335.410 3.743 50 5 EHBARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000032777337 212840981 /nfs/dbraw/zinc/84/09/81/212840981.db2.gz CWOCPJFTQWINAC-ZYHUDNBSSA-N 0 0 349.412 3.523 50 5 EHBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 ZINC000000379020 209560265 /nfs/dbraw/zinc/56/02/65/209560265.db2.gz YSWSUZCEBFYVND-UHFFFAOYSA-N 0 0 326.381 3.683 50 5 EHBARN COc1cc([C@@H](C[N+](=O)[O-])c2c(C)[nH]c3ccccc32)ccc1O ZINC000000121461 209435588 /nfs/dbraw/zinc/43/55/88/209435588.db2.gz KNVNPGBHPGAQDY-CQSZACIVSA-N 0 0 326.352 3.599 50 5 EHBARN Cn1c2cc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000072422446 216211311 /nfs/dbraw/zinc/21/13/11/216211311.db2.gz RDODMGRYTGEWDL-UHFFFAOYSA-N 0 0 349.799 3.590 50 5 EHBARN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000225447923 241868139 /nfs/dbraw/zinc/86/81/39/241868139.db2.gz QCLXZOWDZMOGGS-UHFFFAOYSA-N 0 0 331.759 3.859 50 5 EHBARN Cc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2)o1 ZINC000020897012 212183810 /nfs/dbraw/zinc/18/38/10/212183810.db2.gz SAVXWGIIRXEYBK-UHFFFAOYSA-N 0 0 337.335 3.738 50 5 EHBARN COc1cccc(COc2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000019872995 212077593 /nfs/dbraw/zinc/07/75/93/212077593.db2.gz YMSQESFWAWDHHF-UHFFFAOYSA-N 0 0 338.157 3.945 50 5 EHBARN O=C(Nc1ccccc1-n1cccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047993113 213880663 /nfs/dbraw/zinc/88/06/63/213880663.db2.gz YOPNNYCLARGVIK-UHFFFAOYSA-N 0 0 342.742 3.686 50 5 EHBARN Cc1ccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000014069141 211676383 /nfs/dbraw/zinc/67/63/83/211676383.db2.gz VSEQHJOBYOHYBO-UHFFFAOYSA-N 0 0 347.802 3.627 50 5 EHBARN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000088238092 217741148 /nfs/dbraw/zinc/74/11/48/217741148.db2.gz ISTIAVZTCAWCTK-AWEZNQCLSA-N 0 0 339.395 3.686 50 5 EHBARN COCc1c(Cl)cccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000089688884 217827399 /nfs/dbraw/zinc/82/73/99/217827399.db2.gz UCHXFUIMKGIEPS-UHFFFAOYSA-N 0 0 334.759 3.955 50 5 EHBARN COc1cc(NC(=O)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OC ZINC000010963028 211197831 /nfs/dbraw/zinc/19/78/31/211197831.db2.gz XWKUKSKMSLDVOF-UHFFFAOYSA-N 0 0 342.307 3.611 50 5 EHBARN Cc1cc(C)c(NC(=O)CNc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000008192891 210910736 /nfs/dbraw/zinc/91/07/36/210910736.db2.gz TWJBVVUYFVYHAI-UHFFFAOYSA-N 0 0 333.775 3.916 50 5 EHBARN Cc1ccc(NC(=O)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000008187332 210909668 /nfs/dbraw/zinc/90/96/68/210909668.db2.gz PODOAVMAXHEBEL-UHFFFAOYSA-N 0 0 349.184 3.847 50 5 EHBARN O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 ZINC000007112500 210760717 /nfs/dbraw/zinc/76/07/17/210760717.db2.gz WOMUYTKBBFDWIA-GOSISDBHSA-N 0 0 349.346 3.955 50 5 EHBARN O=C([C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005540270 210485559 /nfs/dbraw/zinc/48/55/59/210485559.db2.gz CBNWFPTVXBGBFO-BJKRJEDCSA-N 0 0 327.380 3.820 50 5 EHBARN CCCCN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000004825703 210289837 /nfs/dbraw/zinc/28/98/37/210289837.db2.gz WEDFXCUFJXKYTM-UHFFFAOYSA-N 0 0 340.335 3.783 50 5 EHBARN COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000452463 258048135 /nfs/dbraw/zinc/04/81/35/258048135.db2.gz ACJRWQHHMXANBA-RUDMXATFSA-N 0 0 332.743 3.909 50 5 EHBARN CNC(=O)c1ccc(N[C@@H](C)c2csc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000071920595 563623521 /nfs/dbraw/zinc/62/35/21/563623521.db2.gz ABPIHMBFKNOYMP-JTQLQIEISA-N 0 0 348.428 3.707 50 5 EHBARN O=[N+]([O-])c1ccc2nonc2c1Nc1ccccc1Br ZINC000004952540 563919018 /nfs/dbraw/zinc/91/90/18/563919018.db2.gz LEKLAIJANQPVSY-UHFFFAOYSA-N 0 0 335.117 3.637 50 5 EHBARN Cc1cc(C(=O)N(C)c2cccc(C(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000072313828 563929655 /nfs/dbraw/zinc/92/96/55/563929655.db2.gz DIJZXGGWZWEKJJ-UHFFFAOYSA-N 0 0 327.384 3.885 50 5 EHBARN O=C1NC(=S)SC1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000033153007 563964004 /nfs/dbraw/zinc/96/40/04/563964004.db2.gz FWVSOGBLFFIYHS-WQLSENKSSA-N 0 0 331.378 3.715 50 5 EHBARN COc1ccc(CNc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000000135801 563986930 /nfs/dbraw/zinc/98/69/30/563986930.db2.gz WYJARWFFJBACTJ-UHFFFAOYSA-N 0 0 337.173 3.978 50 5 EHBARN O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000000145479 563987079 /nfs/dbraw/zinc/98/70/79/563987079.db2.gz CWWFSXAGIUWFNZ-UHFFFAOYSA-N 0 0 332.164 3.734 50 5 EHBARN CCOc1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000180289 563987809 /nfs/dbraw/zinc/98/78/09/563987809.db2.gz WXAXCHQKIJWJON-KRWDZBQOSA-N 0 0 344.392 3.772 50 5 EHBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000000260852 563989882 /nfs/dbraw/zinc/98/98/82/563989882.db2.gz MFZJHWLDKHIMAF-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN Cc1ccccc1N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000000278071 563990060 /nfs/dbraw/zinc/99/00/60/563990060.db2.gz IRHUKIJIEBPNJD-RMKNXTFCSA-N 0 0 337.423 3.739 50 5 EHBARN Cc1c(C(=O)OCC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000000318411 563990930 /nfs/dbraw/zinc/99/09/30/563990930.db2.gz IRHPAGOAUHBPEH-UHFFFAOYSA-N 0 0 333.727 3.596 50 5 EHBARN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000000338472 563991280 /nfs/dbraw/zinc/99/12/80/563991280.db2.gz FJOIIWGXGPMMGP-SFHVURJKSA-N 0 0 333.347 3.509 50 5 EHBARN Cc1ccc(-c2cc(C(=O)OCc3csc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000061156858 563993476 /nfs/dbraw/zinc/99/34/76/563993476.db2.gz MTWXUKFUYBQFQN-UHFFFAOYSA-N 0 0 349.393 3.773 50 5 EHBARN CCc1ccc(NC(=O)N[C@@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000073180195 563994995 /nfs/dbraw/zinc/99/49/95/563994995.db2.gz KIGOLOHQPVYXMB-VIFPVBQESA-N 0 0 332.360 3.645 50 5 EHBARN O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1c(F)cccc1F ZINC000000424076 563998440 /nfs/dbraw/zinc/99/84/40/563998440.db2.gz XHVFFPQZNQSUPP-HNNXBMFYSA-N 0 0 336.319 3.652 50 5 EHBARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O2 ZINC000000427480 563998699 /nfs/dbraw/zinc/99/86/99/563998699.db2.gz SWBGDWWARRIPBN-RHSMWYFYSA-N 0 0 343.314 3.504 50 5 EHBARN CCC(=O)Nc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1C ZINC000000467091 564000797 /nfs/dbraw/zinc/00/07/97/564000797.db2.gz DIZNUIANAZKXTH-UHFFFAOYSA-N 0 0 342.351 3.609 50 5 EHBARN CCOC(=O)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000471568 564006146 /nfs/dbraw/zinc/00/61/46/564006146.db2.gz INOUYDZZCTUCTG-GFCCVEGCSA-N 0 0 342.351 3.514 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c2ccncc21 ZINC000005637859 564006853 /nfs/dbraw/zinc/00/68/53/564006853.db2.gz JZMDEWVSFFPXGE-SNVBAGLBSA-N 0 0 325.290 3.922 50 5 EHBARN O=C(CSc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000000582555 564024557 /nfs/dbraw/zinc/02/45/57/564024557.db2.gz WCWUQDGBTJIKFH-UHFFFAOYSA-N 0 0 341.348 3.620 50 5 EHBARN Cc1nc(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000000582632 564024577 /nfs/dbraw/zinc/02/45/77/564024577.db2.gz BQADNUDIHQLBTQ-UHFFFAOYSA-N 0 0 343.408 3.547 50 5 EHBARN O=C(CSc1nnc(-c2ccccc2)o1)c1cc([N+](=O)[O-])cs1 ZINC000012139005 564026359 /nfs/dbraw/zinc/02/63/59/564026359.db2.gz VIGNDAMDRDGOJL-UHFFFAOYSA-N 0 0 347.377 3.681 50 5 EHBARN CN(C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000048289862 564030538 /nfs/dbraw/zinc/03/05/38/564030538.db2.gz GFRKGOUXSVLAOB-CQSZACIVSA-N 0 0 349.431 3.678 50 5 EHBARN COc1cccc([C@H](C)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000610572 564031759 /nfs/dbraw/zinc/03/17/59/564031759.db2.gz XCPMTDCZNIDLFE-NSHDSACASA-N 0 0 331.397 3.651 50 5 EHBARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000024887128 564034272 /nfs/dbraw/zinc/03/42/72/564034272.db2.gz OKBHYSXILCPWLE-UHFFFAOYSA-N 0 0 342.742 3.891 50 5 EHBARN CCCC(=O)Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000001216729 564056561 /nfs/dbraw/zinc/05/65/61/564056561.db2.gz WOKOYKSYELZXLR-UHFFFAOYSA-N 0 0 327.340 3.586 50 5 EHBARN Cc1c(C(=O)Nc2nc3c(s2)CCCCC3)cccc1[N+](=O)[O-] ZINC000012764610 564067898 /nfs/dbraw/zinc/06/78/98/564067898.db2.gz KCEZHDYWHILXFJ-UHFFFAOYSA-N 0 0 331.397 3.881 50 5 EHBARN Cc1ccc(CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 ZINC000012903650 564077800 /nfs/dbraw/zinc/07/78/00/564077800.db2.gz SMKJDMAHSPRMOP-UHFFFAOYSA-N 0 0 342.395 3.710 50 5 EHBARN Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000075280283 564081478 /nfs/dbraw/zinc/08/14/78/564081478.db2.gz CBKZZKHUJFVABI-UHFFFAOYSA-N 0 0 334.759 3.883 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(SC)cc1 ZINC000001741759 564086191 /nfs/dbraw/zinc/08/61/91/564086191.db2.gz JJUMGHFDGJIMMZ-UHFFFAOYSA-N 0 0 333.369 3.969 50 5 EHBARN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc([C@@H](C)OC)c2)c1 ZINC000065625150 564108550 /nfs/dbraw/zinc/10/85/50/564108550.db2.gz INDRIZIZIDCGMH-LLVKDONJSA-N 0 0 330.340 3.563 50 5 EHBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000065626406 564108551 /nfs/dbraw/zinc/10/85/51/564108551.db2.gz LWNWWDFXYSGSEE-UHFFFAOYSA-N 0 0 348.428 3.629 50 5 EHBARN Cc1cc(C(=O)Nc2nc(-c3ccccc3)ns2)ccc1[N+](=O)[O-] ZINC000042090720 564110706 /nfs/dbraw/zinc/11/07/06/564110706.db2.gz WPXPENCHQCOJRQ-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN COc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC000194836869 564122249 /nfs/dbraw/zinc/12/22/49/564122249.db2.gz WQZJUBOJBDBXGK-NSHDSACASA-N 0 0 348.321 3.700 50 5 EHBARN COc1cccc(C(=O)Nc2nc(CC(C)(C)C)cs2)c1[N+](=O)[O-] ZINC000225508702 564135575 /nfs/dbraw/zinc/13/55/75/564135575.db2.gz RALOEZSCLAMUMX-UHFFFAOYSA-N 0 0 349.412 3.901 50 5 EHBARN O=[N+]([O-])c1ccc(Cl)cc1N1CCN(Cc2ccccc2)CC1 ZINC000055498025 564150112 /nfs/dbraw/zinc/15/01/12/564150112.db2.gz BFARNGFNSDQCDE-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN O=C(CSc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1cccs1 ZINC000002842798 564152818 /nfs/dbraw/zinc/15/28/18/564152818.db2.gz AAOXLOYHTLSWJH-UHFFFAOYSA-N 0 0 347.377 3.681 50 5 EHBARN Cc1noc(C)c1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000002872804 564152874 /nfs/dbraw/zinc/15/28/74/564152874.db2.gz YRMWWJNCTAZAIH-UHFFFAOYSA-N 0 0 344.352 3.575 50 5 EHBARN Nc1c(Cl)cc(Nc2nc3ccccn3c2[N+](=O)[O-])cc1Cl ZINC000029163176 564153154 /nfs/dbraw/zinc/15/31/54/564153154.db2.gz WVTFBJIGBQMJMU-UHFFFAOYSA-N 0 0 338.154 3.875 50 5 EHBARN O=[N+]([O-])c1c(N[C@@H](c2ccccc2)c2ccccn2)nc2ccccn21 ZINC000029852895 564154397 /nfs/dbraw/zinc/15/43/97/564154397.db2.gz OFIWFQMHKJXOBL-KRWDZBQOSA-N 0 0 345.362 3.839 50 5 EHBARN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CCCCCC1 ZINC000058368839 564158887 /nfs/dbraw/zinc/15/88/87/564158887.db2.gz QYYKBIDXARBTJG-UHFFFAOYSA-N 0 0 329.400 3.731 50 5 EHBARN O=C(OCCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000007985491 564161819 /nfs/dbraw/zinc/16/18/19/564161819.db2.gz GCYDWNZLRXDWGV-UHFFFAOYSA-N 0 0 339.706 3.623 50 5 EHBARN CNc1ccc(CC(=O)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000008026405 564162246 /nfs/dbraw/zinc/16/22/46/564162246.db2.gz YDFONNITEQSGMH-UHFFFAOYSA-N 0 0 327.365 3.672 50 5 EHBARN C[C@@H](Sc1ccccn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008487070 564165442 /nfs/dbraw/zinc/16/54/42/564165442.db2.gz FTDQTQIRDITWEP-SNVBAGLBSA-N 0 0 328.353 3.893 50 5 EHBARN CC(C)(C)c1nnc(Sc2ccc([N+](=O)[O-])c3cnccc23)o1 ZINC000069628964 564171041 /nfs/dbraw/zinc/17/10/41/564171041.db2.gz QPJOBGZIILKSNJ-UHFFFAOYSA-N 0 0 330.369 3.975 50 5 EHBARN O=[N+]([O-])c1ccc(NC[C@H](O)c2ccccc2)c(C(F)(F)F)c1 ZINC000048367722 1042323500 /nfs/dbraw/zinc/32/35/00/1042323500.db2.gz AZYQZTXOAWXJOT-AWEZNQCLSA-N 0 0 326.274 3.759 50 5 EHBARN Cc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000073153439 1127132049 /nfs/dbraw/zinc/13/20/49/1127132049.db2.gz NIHMXOUTNYCGJH-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN Cc1c(CSc2nnc(N3CCCC3)s2)cccc1[N+](=O)[O-] ZINC000052913437 214155264 /nfs/dbraw/zinc/15/52/64/214155264.db2.gz HKQHVROYAGLEFI-UHFFFAOYSA-N 0 0 336.442 3.647 50 5 EHBARN O=C(Nc1cccc(-c2nccs2)c1)c1ccccc1[N+](=O)[O-] ZINC000058198452 214500617 /nfs/dbraw/zinc/50/06/17/214500617.db2.gz NQRHRMIJKQQVJM-UHFFFAOYSA-N 0 0 325.349 3.971 50 5 EHBARN CCOc1ccccc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004599641 210230992 /nfs/dbraw/zinc/23/09/92/210230992.db2.gz FSWJGCAGDAVATG-UHFFFAOYSA-N 0 0 343.364 3.856 50 5 EHBARN CCCCN1C(=O)c2ccccc2[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000004608423 210230390 /nfs/dbraw/zinc/23/03/90/210230390.db2.gz NXAKIASBPATKJG-KRWDZBQOSA-N 0 0 325.368 3.961 50 5 EHBARN COc1nsc2cc([N+](=O)[O-])cc(N=P(OC)(OC)OC)c21 ZINC000004547060 210219215 /nfs/dbraw/zinc/21/92/15/210219215.db2.gz UBMDPJFUXSGEKJ-UHFFFAOYSA-N 0 0 347.289 3.730 50 5 EHBARN CCCCCC[C@H]1C[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004110481 210121969 /nfs/dbraw/zinc/12/19/69/210121969.db2.gz DHFWVGQJAFQZFG-BBRMVZONSA-N 0 0 348.399 3.826 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(C)cc1 ZINC000004041781 210105842 /nfs/dbraw/zinc/10/58/42/210105842.db2.gz GKTNJUKXKXHJMB-UHFFFAOYSA-N 0 0 344.367 3.710 50 5 EHBARN CN(Cc1ccccc1Cl)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003430924 210037963 /nfs/dbraw/zinc/03/79/63/210037963.db2.gz AEAQIQMYWWKYIO-MDZDMXLPSA-N 0 0 330.771 3.920 50 5 EHBARN O=[N+]([O-])c1ccc(Sc2nnc3ccccn32)cc1C(F)(F)F ZINC000003370768 210019756 /nfs/dbraw/zinc/01/97/56/210019756.db2.gz JMTMJHNXTJFXNR-UHFFFAOYSA-N 0 0 340.286 3.808 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1c[nH]c2ccccc12 ZINC000003345992 210014806 /nfs/dbraw/zinc/01/48/06/210014806.db2.gz UXEHGJNCOLAENT-UHFFFAOYSA-N 0 0 330.727 3.991 50 5 EHBARN O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000067772423 215209535 /nfs/dbraw/zinc/20/95/35/215209535.db2.gz YIGGHBPKXGDSHP-UHFFFAOYSA-N 0 0 348.362 3.910 50 5 EHBARN Cc1ccccc1CSCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000002814967 209922478 /nfs/dbraw/zinc/92/24/78/209922478.db2.gz WERZASZKQRZEKH-UHFFFAOYSA-N 0 0 344.436 3.875 50 5 EHBARN COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000002738436 209898531 /nfs/dbraw/zinc/89/85/31/209898531.db2.gz XHQFAMJFVZPRMT-RUDMXATFSA-N 0 0 332.743 3.909 50 5 EHBARN O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 ZINC000033286242 212915974 /nfs/dbraw/zinc/91/59/74/212915974.db2.gz SPTMNTGPAUPILC-XNTDXEJSSA-N 0 0 340.360 3.831 50 5 EHBARN Cc1csc(C(C)(C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000072286656 216117852 /nfs/dbraw/zinc/11/78/52/216117852.db2.gz STUHSVIHNHPMPT-UHFFFAOYSA-N 0 0 334.401 3.725 50 5 EHBARN COc1ccc(OC)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000102783 209421758 /nfs/dbraw/zinc/42/17/58/209421758.db2.gz IQCBPCOUKFVDSJ-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN Cc1cc(C(=O)Oc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000000060945 209394313 /nfs/dbraw/zinc/39/43/13/209394313.db2.gz YHUQKDXAVCASJJ-UHFFFAOYSA-N 0 0 336.141 3.885 50 5 EHBARN COc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000023152081 212355482 /nfs/dbraw/zinc/35/54/82/212355482.db2.gz RQJIZSKUSUOABT-MRXNPFEDSA-N 0 0 340.379 3.753 50 5 EHBARN Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ccc([N+](=O)[O-])cn3)cc2)n1 ZINC000079106179 217195828 /nfs/dbraw/zinc/19/58/28/217195828.db2.gz UDIFWQWNEIUSEB-CQSZACIVSA-N 0 0 337.383 3.965 50 5 EHBARN O=C1OC(c2cccs2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000013714586 211617819 /nfs/dbraw/zinc/61/78/19/211617819.db2.gz WVBITOGKKVBSCC-AMZNHEOCSA-N 0 0 326.333 3.557 50 5 EHBARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000012621930 211426517 /nfs/dbraw/zinc/42/65/17/211426517.db2.gz CLFXGTDLQWRCOO-CQSZACIVSA-N 0 0 332.356 3.701 50 5 EHBARN CC(C)(C)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000012621407 211426176 /nfs/dbraw/zinc/42/61/76/211426176.db2.gz TWKKWQKKXFYXLJ-UHFFFAOYSA-N 0 0 346.412 3.874 50 5 EHBARN c1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCCO1 ZINC000009421858 211082838 /nfs/dbraw/zinc/08/28/38/211082838.db2.gz COEAXXITGOIIEH-UHFFFAOYSA-N 0 0 333.391 3.891 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H](n2ccnc2)C1 ZINC000095349654 218283835 /nfs/dbraw/zinc/28/38/35/218283835.db2.gz USOPUJWEZHOCIN-GFCCVEGCSA-N 0 0 340.305 3.652 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1oc2ccccc2c1C ZINC000008942138 211021151 /nfs/dbraw/zinc/02/11/51/211021151.db2.gz LDOOZCSWDRRIRH-UHFFFAOYSA-N 0 0 326.308 3.910 50 5 EHBARN COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C2CC2)cc1 ZINC000008164013 210904757 /nfs/dbraw/zinc/90/47/57/210904757.db2.gz HXSOCAWKSFZHAK-UHFFFAOYSA-N 0 0 340.379 3.717 50 5 EHBARN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1O ZINC000006537575 210648784 /nfs/dbraw/zinc/64/87/84/210648784.db2.gz JBUKXCHEUXYDNV-OAHLLOKOSA-N 0 0 326.352 3.681 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N1c2ccccc2C[C@H]1C ZINC000005041642 210371672 /nfs/dbraw/zinc/37/16/72/210371672.db2.gz LWBOUTPRSIGQOO-LLVKDONJSA-N 0 0 343.408 3.751 50 5 EHBARN CC(=O)Oc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000004832427 210290277 /nfs/dbraw/zinc/29/02/77/210290277.db2.gz SGSIXEHNACGOFK-UHFFFAOYSA-N 0 0 349.726 3.531 50 5 EHBARN C[C@@H](CCc1ccco1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000009367823 258054144 /nfs/dbraw/zinc/05/41/44/258054144.db2.gz CHNQAOYROFNHOY-LBPRGKRZSA-N 0 0 343.383 3.513 50 5 EHBARN O=C(Oc1ccccc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012534404 258054586 /nfs/dbraw/zinc/05/45/86/258054586.db2.gz MGTLCKUJDFUFGI-UHFFFAOYSA-N 0 0 344.342 3.943 50 5 EHBARN O=[N+]([O-])c1ccc(NCc2cccc(COC3CCOCC3)c2)cc1 ZINC000071894586 258064165 /nfs/dbraw/zinc/06/41/65/258064165.db2.gz AVTFKSMUQSNTAG-UHFFFAOYSA-N 0 0 342.395 3.903 50 5 EHBARN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nccc3sccc32)c1 ZINC000253393039 521281644 /nfs/dbraw/zinc/28/16/44/521281644.db2.gz PGYBXXVBQRNWAE-UHFFFAOYSA-N 0 0 343.364 3.856 50 5 EHBARN O=[N+]([O-])c1cccc(-c2noc(CSc3ncccc3Cl)n2)c1 ZINC000032815474 563748884 /nfs/dbraw/zinc/74/88/84/563748884.db2.gz OYBAIEUHICEWLH-UHFFFAOYSA-N 0 0 348.771 3.986 50 5 EHBARN Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1C ZINC000032823990 563755488 /nfs/dbraw/zinc/75/54/88/563755488.db2.gz SXADZFAHCNENAB-AWEZNQCLSA-N 0 0 339.395 3.601 50 5 EHBARN Cc1noc(CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)n1 ZINC000032905008 563790617 /nfs/dbraw/zinc/79/06/17/563790617.db2.gz JFXRFUIXMYDAFU-UHFFFAOYSA-N 0 0 325.328 3.642 50 5 EHBARN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000096469343 563954456 /nfs/dbraw/zinc/95/44/56/563954456.db2.gz HAAQAIYGTHQKQU-XHDPSFHLSA-N 0 0 347.396 3.650 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000033213916 563965828 /nfs/dbraw/zinc/96/58/28/563965828.db2.gz XCXLLGFCTSXXPD-UHFFFAOYSA-N 0 0 337.335 3.795 50 5 EHBARN Cc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1C ZINC000000087998 563974601 /nfs/dbraw/zinc/97/46/01/563974601.db2.gz JSCWBUFWQJIWGC-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN O=[N+]([O-])c1c2nsnc2ccc1Sc1ncnc2ccccc21 ZINC000000120419 563986748 /nfs/dbraw/zinc/98/67/48/563986748.db2.gz UYDNDWBXVXZOTA-UHFFFAOYSA-N 0 0 341.377 3.694 50 5 EHBARN CC(C)(C)n1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1)CSC2 ZINC000000189427 563988059 /nfs/dbraw/zinc/98/80/59/563988059.db2.gz UMQCTVHBDLVNSY-UHFFFAOYSA-N 0 0 346.412 3.545 50 5 EHBARN O=C(c1ccccc1Cl)n1cncc1-c1ccc([N+](=O)[O-])cc1 ZINC000000315207 563990925 /nfs/dbraw/zinc/99/09/25/563990925.db2.gz DVDRRQSRPKZVEB-UHFFFAOYSA-N 0 0 327.727 3.800 50 5 EHBARN O=C(N[C@H](c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000000338478 563991255 /nfs/dbraw/zinc/99/12/55/563991255.db2.gz FJOIIWGXGPMMGP-GOSISDBHSA-N 0 0 333.347 3.509 50 5 EHBARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccccc1[N+](=O)[O-] ZINC000000359684 563991657 /nfs/dbraw/zinc/99/16/57/563991657.db2.gz FXEZTNVRUXEJII-UKTHLTGXSA-N 0 0 328.711 3.593 50 5 EHBARN O=C(/C=C/c1cccs1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000375720 563991796 /nfs/dbraw/zinc/99/17/96/563991796.db2.gz ZPCXXNDYTFEBNC-GQCTYLIASA-N 0 0 331.378 3.918 50 5 EHBARN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000000370680 563991800 /nfs/dbraw/zinc/99/18/00/563991800.db2.gz WDOZEBWOEAUZAI-KRWDZBQOSA-N 0 0 328.368 3.550 50 5 EHBARN Cc1cc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)no1 ZINC000073154186 563994961 /nfs/dbraw/zinc/99/49/61/563994961.db2.gz ACUUJAZHRVCCAQ-UHFFFAOYSA-N 0 0 338.323 3.887 50 5 EHBARN COc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000000433591 563999284 /nfs/dbraw/zinc/99/92/84/563999284.db2.gz FYPGZDFUDIRHLY-UHFFFAOYSA-N 0 0 336.141 3.597 50 5 EHBARN CCN(C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])c1ccccc1C ZINC000000445624 563999535 /nfs/dbraw/zinc/99/95/35/563999535.db2.gz OXQLHGPUCTVJBA-UHFFFAOYSA-N 0 0 344.367 3.587 50 5 EHBARN CC(C)(C)Cc1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000000475172 564006150 /nfs/dbraw/zinc/00/61/50/564006150.db2.gz HJJPEVWFVKLZPS-BQYQJAHWSA-N 0 0 346.412 3.687 50 5 EHBARN Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000005610679 564006406 /nfs/dbraw/zinc/00/64/06/564006406.db2.gz HJEMLCQGUROLNA-UHFFFAOYSA-N 0 0 340.788 3.666 50 5 EHBARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005747238 564024968 /nfs/dbraw/zinc/02/49/68/564024968.db2.gz AWDKQFCKMPKRPM-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN C[C@@H](CCc1ccccc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000000610766 564031888 /nfs/dbraw/zinc/03/18/88/564031888.db2.gz NKYBUQQPAOIBNA-ZDUSSCGKSA-N 0 0 329.425 3.903 50 5 EHBARN O=[N+]([O-])c1ccc(S[C@@H]2N=C3CC=CC=C3S2)c([N+](=O)[O-])c1 ZINC000005944055 564057219 /nfs/dbraw/zinc/05/72/19/564057219.db2.gz BOILWQIMDNSCPI-CYBMUJFWSA-N 0 0 335.366 3.910 50 5 EHBARN COC(=O)c1ccc(OCc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000025792265 564063204 /nfs/dbraw/zinc/06/32/04/564063204.db2.gz GYRKRLAXFCNLRF-UHFFFAOYSA-N 0 0 344.348 3.570 50 5 EHBARN Cc1cccc(C2=N/C(=C/C=C\c3ccccc3[N+](=O)[O-])C(=O)O2)c1 ZINC000006090012 564073839 /nfs/dbraw/zinc/07/38/39/564073839.db2.gz GXIPCJVIUUNIDR-AMFUJPPOSA-N 0 0 334.331 3.804 50 5 EHBARN O=C(N[C@@H](c1cccs1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000013008166 564086466 /nfs/dbraw/zinc/08/64/66/564086466.db2.gz FHFXMXRBWSZOIL-OAHLLOKOSA-N 0 0 328.349 3.769 50 5 EHBARN CCCCn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O ZINC000001778442 564087425 /nfs/dbraw/zinc/08/74/25/564087425.db2.gz ANAFMKROXYZAQJ-UHFFFAOYSA-N 0 0 329.381 3.833 50 5 EHBARN CSc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000006558222 564092040 /nfs/dbraw/zinc/09/20/40/564092040.db2.gz JXQMRTYVBZMWHN-UHFFFAOYSA-N 0 0 330.409 3.897 50 5 EHBARN COc1ccc(O[C@@H](C)C(=O)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000007035417 564103540 /nfs/dbraw/zinc/10/35/40/564103540.db2.gz RYNCQHYOCQYUCI-NSHDSACASA-N 0 0 340.335 3.735 50 5 EHBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC12CC3CC(CC(C3)C1)C2 ZINC000007166605 564105555 /nfs/dbraw/zinc/10/55/55/564105555.db2.gz ZJNDRVDUICLRLU-AATRIKPKSA-N 0 0 340.423 3.941 50 5 EHBARN NC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007466807 564108710 /nfs/dbraw/zinc/10/87/10/564108710.db2.gz NNFAFCDTSBCMIN-UHFFFAOYSA-N 0 0 326.230 3.505 50 5 EHBARN O=[N+]([O-])c1c(N[C@H]2CCc3cc(Cl)ccc32)nc2ccccn21 ZINC000089878845 564114637 /nfs/dbraw/zinc/11/46/37/564114637.db2.gz CRDCDZQZOUPVNF-ZDUSSCGKSA-N 0 0 328.759 3.995 50 5 EHBARN COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(C)c1 ZINC000017067963 564116335 /nfs/dbraw/zinc/11/63/35/564116335.db2.gz NNXUCXALYFNFKA-UHFFFAOYSA-N 0 0 331.328 3.564 50 5 EHBARN CC(C)C(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000007616096 564121010 /nfs/dbraw/zinc/12/10/10/564121010.db2.gz HRXVYQUPNILFGV-GOSISDBHSA-N 0 0 337.379 3.929 50 5 EHBARN O=[N+]([O-])c1cn(Cc2ncc(-c3ccccc3F)o2)nc1C1CC1 ZINC000195041732 564122689 /nfs/dbraw/zinc/12/26/89/564122689.db2.gz TZDKCVYHAAWZOC-UHFFFAOYSA-N 0 0 328.303 3.511 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cnc(-c2ccccc2)nc1 ZINC000017742013 564130527 /nfs/dbraw/zinc/13/05/27/564130527.db2.gz HVCCTBYWQWWVDF-MDZDMXLPSA-N 0 0 346.346 3.704 50 5 EHBARN CCCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000002877559 564130588 /nfs/dbraw/zinc/13/05/88/564130588.db2.gz QSCIOLRLULPGKC-UHFFFAOYSA-N 0 0 340.792 3.695 50 5 EHBARN Cn1ncc2c1nc1c3ccc(O)cc3oc1c2-c1cccc(O)c1 ZINC000253410681 564130690 /nfs/dbraw/zinc/13/06/90/564130690.db2.gz NPDMMBNZGBGLDK-UHFFFAOYSA-N 0 0 331.331 3.946 50 5 biogenic EHBARN COc1ccc(Cl)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000253432470 564131840 /nfs/dbraw/zinc/13/18/40/564131840.db2.gz KNJCMHCRNJYJQC-SNVBAGLBSA-N 0 0 334.759 3.999 50 5 EHBARN Cc1ccc(NC(=O)n2ncc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000003091312 564155099 /nfs/dbraw/zinc/15/50/99/564155099.db2.gz CMJWUGBUEYKNLP-UHFFFAOYSA-N 0 0 330.731 3.987 50 5 EHBARN Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003195512 564155815 /nfs/dbraw/zinc/15/58/15/564155815.db2.gz YMYWZAXXSPUCSB-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN Cc1c(C=O)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003230853 564156301 /nfs/dbraw/zinc/15/63/01/564156301.db2.gz SCWXYLGUBRKPSW-UHFFFAOYSA-N 0 0 342.738 3.853 50 5 EHBARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000058130514 564157744 /nfs/dbraw/zinc/15/77/44/564157744.db2.gz LFJPJJQBGSATBP-AWEZNQCLSA-N 0 0 343.383 3.721 50 5 EHBARN CN(C)C(=O)Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000069387869 564169114 /nfs/dbraw/zinc/16/91/14/564169114.db2.gz LMPBGTJFSJPGEI-UHFFFAOYSA-N 0 0 345.380 3.621 50 5 EHBARN Cc1cn2c(/C=C/C(=O)Oc3cccc([N+](=O)[O-])c3)c(C)nc2s1 ZINC000071872166 564176176 /nfs/dbraw/zinc/17/61/76/564176176.db2.gz GYQWNDDRZPYYIC-VOTSOKGWSA-N 0 0 343.364 3.540 50 5 EHBARN O=[N+]([O-])c1ccc(/C=C/c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000004742547 210265453 /nfs/dbraw/zinc/26/54/53/210265453.db2.gz USPDUKHODVMMKQ-DHZHZOJOSA-N 0 0 349.375 3.931 50 5 EHBARN CCCOCc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000052428685 214129023 /nfs/dbraw/zinc/12/90/23/214129023.db2.gz QJTOBOAIKZWHTK-UHFFFAOYSA-N 0 0 346.412 3.843 50 5 EHBARN Cc1ccc(Nc2c3c(ccc2[N+](=O)[O-])=NC2(CCCCC2)N=3)cc1 ZINC000100498632 219100552 /nfs/dbraw/zinc/10/05/52/219100552.db2.gz QXFHLLATYJOLGL-UHFFFAOYSA-N 0 0 336.395 3.560 50 5 EHBARN Cc1ccc(C)c2c1s/c(=N\C(=O)c1ccccc1[N+](=O)[O-])n2C ZINC000100908996 219110645 /nfs/dbraw/zinc/11/06/45/219110645.db2.gz OKJUPDYEQLUZHP-ZCXUNETKSA-N 0 0 341.392 3.506 50 5 EHBARN Cc1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000003359860 210017796 /nfs/dbraw/zinc/01/77/96/210017796.db2.gz WRCVGOTUKFRFTA-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN C[P@@](=O)(Nc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 ZINC000003178814 209973486 /nfs/dbraw/zinc/97/34/86/209973486.db2.gz LHPVJFKFEOASAG-NRFANRHFSA-N 0 0 337.341 3.575 50 5 EHBARN Cc1ccc(SCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000002985040 209949453 /nfs/dbraw/zinc/94/94/53/209949453.db2.gz TWHPASCGMOSXSJ-JXMROGBWSA-N 0 0 342.420 3.825 50 5 EHBARN Cc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000002781067 209911463 /nfs/dbraw/zinc/91/14/63/209911463.db2.gz YEQVXIVIJJNCPM-UHFFFAOYSA-N 0 0 348.447 3.594 50 5 EHBARN Cc1ccc([S@](C)(=O)=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000104199804 219359913 /nfs/dbraw/zinc/35/99/13/219359913.db2.gz JGDBHKWXBSELDS-QHCPKHFHSA-N 0 0 335.341 3.600 50 5 EHBARN COc1ccccc1[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068814790 215337673 /nfs/dbraw/zinc/33/76/73/215337673.db2.gz ASCDKRYGHDIWFH-QGZVFWFLSA-N 0 0 340.379 3.510 50 5 EHBARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000040012867 213250585 /nfs/dbraw/zinc/25/05/85/213250585.db2.gz YQWAEQAZZZISAP-UHFFFAOYSA-N 0 0 329.400 3.503 50 5 EHBARN COc1ccc(Cn2c3ccccc3nc2SC)cc1[N+](=O)[O-] ZINC000000615873 209681547 /nfs/dbraw/zinc/68/15/47/209681547.db2.gz IKDLPSZYPVLMQU-UHFFFAOYSA-N 0 0 329.381 3.723 50 5 EHBARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccccc1[N+](=O)[O-] ZINC000000430892 209597099 /nfs/dbraw/zinc/59/70/99/209597099.db2.gz MTWNBCXKVYQGEN-UKTHLTGXSA-N 0 0 328.711 3.593 50 5 EHBARN COc1ccccc1NC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000033343644 212929215 /nfs/dbraw/zinc/92/92/15/212929215.db2.gz DXBCXVDPAGMWJX-CLFYSBASSA-N 0 0 332.743 3.909 50 5 EHBARN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)C1CC1 ZINC000032891674 212861503 /nfs/dbraw/zinc/86/15/03/212861503.db2.gz VLHMWEKVBDIOTI-IBGZPJMESA-N 0 0 339.395 3.664 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ncc(-c2ccccc2)o1 ZINC000032913252 212868998 /nfs/dbraw/zinc/86/89/98/212868998.db2.gz VJUBWOYVXLHUAO-MDZDMXLPSA-N 0 0 349.346 3.579 50 5 EHBARN Cc1ccc(C(=O)Oc2ccccc2[N+](=O)[O-])cc1Br ZINC000000358735 209549962 /nfs/dbraw/zinc/54/99/62/209549962.db2.gz KKKLQZJNZBYTFW-UHFFFAOYSA-N 0 0 336.141 3.885 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1COc1ccc2c(C)cc(=O)oc2c1 ZINC000000302014 209524810 /nfs/dbraw/zinc/52/48/10/209524810.db2.gz WOLAIOPJFZUXHO-UHFFFAOYSA-N 0 0 341.319 3.597 50 5 EHBARN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000072292277 216127081 /nfs/dbraw/zinc/12/70/81/216127081.db2.gz BOXDUURRWZZQJD-ZDUSSCGKSA-N 0 0 333.413 3.973 50 5 EHBARN COc1ccccc1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000083307 209407979 /nfs/dbraw/zinc/40/79/79/209407979.db2.gz MLIAXWZUBVVWNA-UHFFFAOYSA-N 0 0 340.379 3.623 50 5 EHBARN C[C@H](OC(=O)CCC1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000023076487 212346892 /nfs/dbraw/zinc/34/68/92/212346892.db2.gz RIHRRBNAPQASOZ-ZDUSSCGKSA-N 0 0 348.399 3.826 50 5 EHBARN Cc1ccc(N2CCC[C@@](O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000225649712 241969844 /nfs/dbraw/zinc/96/98/44/241969844.db2.gz MYOOQOPGTLKJBW-IBGZPJMESA-N 0 0 326.396 3.781 50 5 EHBARN Cc1nn(CC(=O)c2cccc(Cl)c2Cl)c(C)c1[N+](=O)[O-] ZINC000225776674 242030338 /nfs/dbraw/zinc/03/03/38/242030338.db2.gz NCQAXMOEISOPKJ-UHFFFAOYSA-N 0 0 328.155 3.598 50 5 EHBARN CC(C)Nc1ccc(-c2noc(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000020894341 212183462 /nfs/dbraw/zinc/18/34/62/212183462.db2.gz WTQMALJJSANBSR-UHFFFAOYSA-N 0 0 325.328 3.527 50 5 EHBARN CC(C)(C)Nc1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000020897863 212183006 /nfs/dbraw/zinc/18/30/06/212183006.db2.gz FXVMRBICQOIXSG-UHFFFAOYSA-N 0 0 339.355 3.917 50 5 EHBARN O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000078774441 217118296 /nfs/dbraw/zinc/11/82/96/217118296.db2.gz YMBNVHGPIMNXHG-CQSZACIVSA-N 0 0 344.342 3.847 50 5 EHBARN Cc1ccc(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn32)cc1 ZINC000013730794 211623404 /nfs/dbraw/zinc/62/34/04/211623404.db2.gz OXIWKLJTSHGODT-UHFFFAOYSA-N 0 0 337.364 3.736 50 5 EHBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1-c1nc2ccccc2[nH]1 ZINC000012559491 211410710 /nfs/dbraw/zinc/41/07/10/211410710.db2.gz PFWHZZUYRIHWSX-UHFFFAOYSA-N 0 0 333.351 3.941 50 5 EHBARN O=C(NCC1(c2ccccc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000011749944 211243055 /nfs/dbraw/zinc/24/30/55/211243055.db2.gz FSKQMBBTBOEINY-UHFFFAOYSA-N 0 0 330.771 3.710 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000009900009 211131619 /nfs/dbraw/zinc/13/16/19/211131619.db2.gz IXNSOEDURZYDTO-CMDGGOBGSA-N 0 0 347.374 3.674 50 5 EHBARN CCn1c2cc(Sc3ccccc3)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000009879954 211130588 /nfs/dbraw/zinc/13/05/88/211130588.db2.gz GKPUSGDAMCGIBH-UHFFFAOYSA-N 0 0 343.408 3.902 50 5 EHBARN CC(=O)N1N=C(c2c(C)coc2C)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008774997 211003838 /nfs/dbraw/zinc/00/38/38/211003838.db2.gz YWKKCNFWHSDUGO-INIZCTEOSA-N 0 0 327.340 3.502 50 5 EHBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1N1CCCC1 ZINC000008586958 210970681 /nfs/dbraw/zinc/97/06/81/210970681.db2.gz ZCPXSBSFYAOBEN-UHFFFAOYSA-N 0 0 336.351 3.912 50 5 EHBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](O)c1ccccc1 ZINC000008178378 210908722 /nfs/dbraw/zinc/90/87/22/210908722.db2.gz LSQWDWZWWNIYSJ-AWEZNQCLSA-N 0 0 326.274 3.759 50 5 EHBARN CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000006690859 210680697 /nfs/dbraw/zinc/68/06/97/210680697.db2.gz JJFWGKXPMAZFBC-UHFFFAOYSA-N 0 0 331.416 3.600 50 5 EHBARN Nc1nc(NC2CCCCC2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000005032786 210369200 /nfs/dbraw/zinc/36/92/00/210369200.db2.gz PSSPENGQAJSAEA-UHFFFAOYSA-N 0 0 346.366 3.594 50 5 EHBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004990049 210351854 /nfs/dbraw/zinc/35/18/54/210351854.db2.gz BEKRJYWZGVPKCV-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN COc1cc(CO)ccc1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000004868101 210308251 /nfs/dbraw/zinc/30/82/51/210308251.db2.gz LHBRJURSOBGNOQ-UHFFFAOYSA-N 0 0 343.257 3.907 50 5 EHBARN O=C(NCc1ccco1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000004867327 210306340 /nfs/dbraw/zinc/30/63/40/210306340.db2.gz OLRJWYKMHQXCBY-UHFFFAOYSA-N 0 0 338.319 3.910 50 5 EHBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000004834040 210292370 /nfs/dbraw/zinc/29/23/70/210292370.db2.gz GRSKZAVNNJCZLO-VIFPVBQESA-N 0 0 349.730 3.899 50 5 EHBARN CCOc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000004750018 210271179 /nfs/dbraw/zinc/27/11/79/210271179.db2.gz FDNBNZYDZNRSPO-UHFFFAOYSA-N 0 0 343.364 3.856 50 5 EHBARN O=C(Cc1cccs1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004749983 210270566 /nfs/dbraw/zinc/27/05/66/210270566.db2.gz QLMMCKZFQIJHTH-UHFFFAOYSA-N 0 0 345.405 3.961 50 5 EHBARN O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004749174 210268498 /nfs/dbraw/zinc/26/84/98/210268498.db2.gz LNPJUEPCCNMZLX-UHFFFAOYSA-N 0 0 347.321 3.726 50 5 EHBARN CN(C(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc([N+](=O)[O-])cc1 ZINC000128344668 257971713 /nfs/dbraw/zinc/97/17/13/257971713.db2.gz OZCRYSVJNHNXIL-UHFFFAOYSA-N 0 0 341.298 3.666 50 5 EHBARN Cc1c(NC(=O)c2cccc(NC(=O)C(C)C)c2)cccc1[N+](=O)[O-] ZINC000000465957 258048480 /nfs/dbraw/zinc/04/84/80/258048480.db2.gz KFZJADAUFRFWLO-UHFFFAOYSA-N 0 0 341.367 3.750 50 5 EHBARN COC(=O)c1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000057607788 258061707 /nfs/dbraw/zinc/06/17/07/258061707.db2.gz LZVZAZXOONUXIT-UHFFFAOYSA-N 0 0 348.786 3.667 50 5 EHBARN O=[N+]([O-])c1ccc(Sc2nnc(NC3CC3)s2)c(Cl)c1 ZINC000014129632 563983267 /nfs/dbraw/zinc/98/32/67/563983267.db2.gz LQROBYHCJYXYSE-UHFFFAOYSA-N 0 0 328.806 3.825 50 5 EHBARN CC(C)(C)OC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000000083582 563219303 /nfs/dbraw/zinc/21/93/03/563219303.db2.gz RKQULYOBGNKBHX-UHFFFAOYSA-N 0 0 326.348 3.667 50 5 EHBARN Cc1nc(C)c([C@H](C)N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000071883150 563374923 /nfs/dbraw/zinc/37/49/23/563374923.db2.gz YHYREFCJZFKFHD-BCPZQOPPSA-N 0 0 345.424 3.901 50 5 EHBARN Cc1ccc(O[C@@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000175267542 563379114 /nfs/dbraw/zinc/37/91/14/563379114.db2.gz OEENTNZZRJPVMG-LBPRGKRZSA-N 0 0 348.786 3.754 50 5 EHBARN Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(F)(F)F)cc1 ZINC000016814395 563824495 /nfs/dbraw/zinc/82/44/95/563824495.db2.gz BILCEXVEIOULLR-UHFFFAOYSA-N 0 0 340.257 3.553 50 5 EHBARN COc1ccccc1-c1nc(-c2ccc(C)c([N+](=O)[O-])c2)cc(=O)o1 ZINC000000456565 563917503 /nfs/dbraw/zinc/91/75/03/563917503.db2.gz QXGMMZLWZVCFMH-UHFFFAOYSA-N 0 0 338.319 3.594 50 5 EHBARN CC(C)S(=O)(=O)Cc1cccc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000096427535 563952256 /nfs/dbraw/zinc/95/22/56/563952256.db2.gz RIWAVZQTYCLZGR-UHFFFAOYSA-N 0 0 348.424 3.530 50 5 EHBARN COc1cc(F)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000096467131 563954254 /nfs/dbraw/zinc/95/42/54/563954254.db2.gz AIUXRBDIVQAXJO-UHFFFAOYSA-N 0 0 342.685 3.787 50 5 EHBARN O=[N+]([O-])c1cc(F)c(NC[C@H](c2ccco2)N2CCCC2)c(F)c1 ZINC000097229455 563970620 /nfs/dbraw/zinc/97/06/20/563970620.db2.gz TVMKMYSPEOWHEH-CQSZACIVSA-N 0 0 337.326 3.715 50 5 EHBARN COc1ccc(C(=O)N(CC(C)(C)C)c2cccnc2)cc1[N+](=O)[O-] ZINC000072288227 563976211 /nfs/dbraw/zinc/97/62/11/563976211.db2.gz GSFXMWNOBYARRK-UHFFFAOYSA-N 0 0 343.383 3.691 50 5 EHBARN CCOC(=O)CCc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000000094510 563976481 /nfs/dbraw/zinc/97/64/81/563976481.db2.gz NAMMVASMSDSNEM-SFHVURJKSA-N 0 0 342.351 3.594 50 5 EHBARN COc1cc2oc3c(O)ccc(O)c3c(=O)c2c(O)c1CC=C(C)C ZINC000014763060 563982944 /nfs/dbraw/zinc/98/29/44/563982944.db2.gz AAANZTDKTFGJLZ-UHFFFAOYSA-N 0 0 342.347 3.580 50 5 endogenous,in-man EHBARN O=C(CSc1ccc(C(F)(F)F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000000121582 563986799 /nfs/dbraw/zinc/98/67/99/563986799.db2.gz AAXFXRKTASOYPL-UHFFFAOYSA-N 0 0 342.298 3.984 50 5 EHBARN Cc1cc(=O)oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc12 ZINC000000149164 563987083 /nfs/dbraw/zinc/98/70/83/563987083.db2.gz LUPXEHMYLYDIIP-UHFFFAOYSA-N 0 0 339.303 3.537 50 5 EHBARN Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000000191538 563988087 /nfs/dbraw/zinc/98/80/87/563988087.db2.gz FOCUYJIMMHSIMJ-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN Cc1noc(/C=C/c2c(C)nn(Cc3ccccc3)c2C)c1[N+](=O)[O-] ZINC000000205215 563988311 /nfs/dbraw/zinc/98/83/11/563988311.db2.gz QKSXXPJUPGAHCE-MDZDMXLPSA-N 0 0 338.367 3.923 50 5 EHBARN COc1cc(OC)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000000363933 563991647 /nfs/dbraw/zinc/99/16/47/563991647.db2.gz ZKQQUXBIQOUMRJ-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN CCc1cc(C(=O)OC)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000000370995 563991807 /nfs/dbraw/zinc/99/18/07/563991807.db2.gz DFMKCLLVUMPTMS-UHFFFAOYSA-N 0 0 348.380 3.566 50 5 EHBARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2[N+](=O)[O-])cc1F ZINC000000423805 563998379 /nfs/dbraw/zinc/99/83/79/563998379.db2.gz PVGVIADQTACDJU-INIZCTEOSA-N 0 0 332.356 3.821 50 5 EHBARN Cc1ccc(F)cc1N1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000423989 563998411 /nfs/dbraw/zinc/99/84/11/563998411.db2.gz SACTZWBUJJOEOZ-INIZCTEOSA-N 0 0 332.356 3.821 50 5 EHBARN Cc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000000454083 563999693 /nfs/dbraw/zinc/99/96/93/563999693.db2.gz GZPBOLVCWJMUTO-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN O=C(COc1ccccc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000455205 563999740 /nfs/dbraw/zinc/99/97/40/563999740.db2.gz YVLCIOGBIVILJZ-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1Cl ZINC000000450803 563999835 /nfs/dbraw/zinc/99/98/35/563999835.db2.gz NCGGLPGTXJJMKN-UHFFFAOYSA-N 0 0 338.722 3.713 50 5 EHBARN COc1ccccc1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000000461457 564000753 /nfs/dbraw/zinc/00/07/53/564000753.db2.gz YPWWLUXKDKDCPF-UHFFFAOYSA-N 0 0 348.314 3.557 50 5 EHBARN O=c1c2ccccc2nc(-c2ccccc2[N+](=O)[O-])n1-c1ccccc1 ZINC000000547870 564022802 /nfs/dbraw/zinc/02/28/02/564022802.db2.gz RWUVTMZNZMDESF-UHFFFAOYSA-N 0 0 343.342 3.961 50 5 EHBARN CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000000619247 564031830 /nfs/dbraw/zinc/03/18/30/564031830.db2.gz MEAMYQDBNGUXAV-UHFFFAOYSA-N 0 0 337.335 3.624 50 5 EHBARN CC(C)c1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000032820137 564036249 /nfs/dbraw/zinc/03/62/49/564036249.db2.gz CUGKDDDUJYQYLZ-CXUHLZMHSA-N 0 0 336.347 3.529 50 5 EHBARN O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000001002511 564054020 /nfs/dbraw/zinc/05/40/20/564054020.db2.gz WPXQXXDLFVVDAB-UHFFFAOYSA-N 0 0 332.278 3.665 50 5 EHBARN Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)NCc1ccccc1 ZINC000001387354 564064272 /nfs/dbraw/zinc/06/42/72/564064272.db2.gz FVICSUUWKWTQHP-UHFFFAOYSA-N 0 0 344.370 3.580 50 5 EHBARN COc1c(OC(F)F)ccc(CNc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000083915266 564064638 /nfs/dbraw/zinc/06/46/38/564064638.db2.gz HNOVTFRGEOUJHL-UHFFFAOYSA-N 0 0 342.273 3.956 50 5 EHBARN COCc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000185457303 564073859 /nfs/dbraw/zinc/07/38/59/564073859.db2.gz LFQLHFPETZXZNW-UHFFFAOYSA-N 0 0 337.335 3.542 50 5 EHBARN CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000075107484 564080165 /nfs/dbraw/zinc/08/01/65/564080165.db2.gz NONKFACWJAKGLK-HNNXBMFYSA-N 0 0 347.802 3.813 50 5 EHBARN Cc1ccc(O[C@H](C)C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000026943058 564090918 /nfs/dbraw/zinc/09/09/18/564090918.db2.gz POTRFBFIGHFJLC-HUUCEWRRSA-N 0 0 342.395 3.890 50 5 EHBARN Cc1c(C)n(C[C@H]2CCCO2)c2nc(C)n3c4ccccc4nc3c12 ZINC000006665120 564095630 /nfs/dbraw/zinc/09/56/30/564095630.db2.gz KHFFKNZNKZZXPG-OAHLLOKOSA-N 0 0 334.423 3.941 50 5 EHBARN CCCCSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000006734764 564096657 /nfs/dbraw/zinc/09/66/57/564096657.db2.gz XJESKRJWXOOSIT-UHFFFAOYSA-N 0 0 338.414 3.591 50 5 EHBARN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000016734179 564112849 /nfs/dbraw/zinc/11/28/49/564112849.db2.gz AYENKAPURSMZNR-AWEZNQCLSA-N 0 0 348.424 3.593 50 5 EHBARN Cc1ccc(-c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3C)n2)s1 ZINC000089657302 564112892 /nfs/dbraw/zinc/11/28/92/564112892.db2.gz HXHYVKJWGDWHHK-UHFFFAOYSA-N 0 0 341.392 3.545 50 5 EHBARN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(F)c1 ZINC000253428097 564131254 /nfs/dbraw/zinc/13/12/54/564131254.db2.gz HTEIJGIKOVRTQC-UHFFFAOYSA-N 0 0 341.298 3.543 50 5 EHBARN Cn1nc(Oc2ccc([N+](=O)[O-])c(F)c2)c(Cl)c1C(F)(F)F ZINC000526056106 564134521 /nfs/dbraw/zinc/13/45/21/564134521.db2.gz VUOHNSBRTAQNQW-UHFFFAOYSA-N 0 0 339.632 3.932 50 5 EHBARN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](c2ccccn2)C1 ZINC000225634024 564150068 /nfs/dbraw/zinc/15/00/68/564150068.db2.gz LQEZNNABELLKIV-AWEZNQCLSA-N 0 0 340.383 3.628 50 5 EHBARN Cc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])n1 ZINC000028188054 564150601 /nfs/dbraw/zinc/15/06/01/564150601.db2.gz KULLAMRNXFUOHJ-UHFFFAOYSA-N 0 0 346.730 3.581 50 5 EHBARN Cc1nc2cc(COC(=O)c3ccccc3[N+](=O)[O-])ccc2s1 ZINC000003241341 564156461 /nfs/dbraw/zinc/15/64/61/564156461.db2.gz QHDXTWIZAQFZKH-UHFFFAOYSA-N 0 0 328.349 3.870 50 5 EHBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003502925 564158531 /nfs/dbraw/zinc/15/85/31/564158531.db2.gz YNXLBABGKDPSOR-NSHDSACASA-N 0 0 345.351 3.914 50 5 EHBARN O=[N+]([O-])c1ccnn1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000058356645 564158849 /nfs/dbraw/zinc/15/88/49/564158849.db2.gz WGZSVQCFFWWVGZ-UHFFFAOYSA-N 0 0 334.788 3.540 50 5 EHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1nc(-c2ccccc2)cs1 ZINC000069843986 564172424 /nfs/dbraw/zinc/17/24/24/564172424.db2.gz MQABRPSTKUVUDI-JTQLQIEISA-N 0 0 343.364 3.802 50 5 EHBARN CCCC(C)(C)OC(=O)Nc1c(C(=O)OCC)cccc1[N+](=O)[O-] ZINC000263584070 1019934370 /nfs/dbraw/zinc/93/43/70/1019934370.db2.gz JFNARDWNFAOEBF-UHFFFAOYSA-N 0 0 338.360 3.899 50 5 EHBARN O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc(Cl)c1 ZINC000033366290 1122658932 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Cc1cc2ncn(C(=O)c3ccc([N+](=O)[O-])cc3Cl)c2cc1C ZINC000004506392 210208217 /nfs/dbraw/zinc/20/82/17/210208217.db2.gz ZLDUPPYZUMCTTR-UHFFFAOYSA-N 0 0 329.743 3.903 50 5 EHBARN CCOC(=O)c1sc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000004316945 210169198 /nfs/dbraw/zinc/16/91/98/210169198.db2.gz XISKTGUNKFYFHN-UHFFFAOYSA-N 0 0 349.368 3.785 50 5 EHBARN Cc1cc2cc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc2[nH]1 ZINC000004138067 210129646 /nfs/dbraw/zinc/12/96/46/210129646.db2.gz VBCKAJBPUNSKHE-UHFFFAOYSA-N 0 0 343.770 3.968 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000004079550 210114691 /nfs/dbraw/zinc/11/46/91/210114691.db2.gz CVZRFEGOIXIEPT-UHFFFAOYSA-N 0 0 330.340 3.643 50 5 EHBARN O=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000003895315 210086226 /nfs/dbraw/zinc/08/62/26/210086226.db2.gz QTRPMNYWDTXBCK-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN Cc1ccc(-n2nnnc2Sc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000003443684 210041848 /nfs/dbraw/zinc/04/18/48/210041848.db2.gz 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CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000069328084 215378629 /nfs/dbraw/zinc/37/86/29/215378629.db2.gz GENYTIVOYGEDNT-QGZVFWFLSA-N 0 0 340.379 3.510 50 5 EHBARN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCOc2ccccc21 ZINC000069328090 215378849 /nfs/dbraw/zinc/37/88/49/215378849.db2.gz GENYTIVOYGEDNT-KRWDZBQOSA-N 0 0 340.379 3.510 50 5 EHBARN O=[N+]([O-])c1ccc2c(c1)[C@H]1C3SC(=S)N=C3SC[C@H]1CO2 ZINC000001803103 209795714 /nfs/dbraw/zinc/79/57/14/209795714.db2.gz UMDGOHCADRSKAX-LDWIPMOCSA-N 0 0 338.435 3.586 50 5 EHBARN CCOC(=O)c1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000001753499 209790059 /nfs/dbraw/zinc/79/00/59/209790059.db2.gz ZJZMMIMWDMYPPC-UHFFFAOYSA-N 0 0 347.302 3.555 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCSc1ccccc1 ZINC000040095686 213263384 /nfs/dbraw/zinc/26/33/84/213263384.db2.gz FMVKWJHVHHHBOT-UHFFFAOYSA-N 0 0 331.397 3.817 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCc1ccccc1F ZINC000040068759 213256732 /nfs/dbraw/zinc/25/67/32/213256732.db2.gz TZARQLPGJONHMP-CYBMUJFWSA-N 0 0 345.374 3.679 50 5 EHBARN Cn1cccc1[C@H]1CCCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000070036704 215666965 /nfs/dbraw/zinc/66/69/65/215666965.db2.gz CBKRLIHSFRDVDF-GOSISDBHSA-N 0 0 341.411 3.620 50 5 EHBARN Cn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000000422887 209586006 /nfs/dbraw/zinc/58/60/06/209586006.db2.gz LADQTYUPEINOCO-UHFFFAOYSA-N 0 0 340.408 3.606 50 5 EHBARN CC(=O)Nc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000024202075 212413455 /nfs/dbraw/zinc/41/34/55/212413455.db2.gz SJTRMDWAPMRAQJ-UHFFFAOYSA-N 0 0 336.351 3.714 50 5 EHBARN O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)nc1 ZINC000022420388 212297159 /nfs/dbraw/zinc/29/71/59/212297159.db2.gz BHVJHTKVVZJIBL-UHFFFAOYSA-N 0 0 339.380 3.599 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000022191924 212281406 /nfs/dbraw/zinc/28/14/06/212281406.db2.gz WXONVWMQBXLJNB-NOZJJQNGSA-N 0 0 331.199 3.698 50 5 EHBARN O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000022087861 212276560 /nfs/dbraw/zinc/27/65/60/212276560.db2.gz CMORNZXFNDCXJQ-UHFFFAOYSA-N 0 0 348.362 3.522 50 5 EHBARN C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000079024369 217177462 /nfs/dbraw/zinc/17/74/62/217177462.db2.gz MTXKPFVYSPQHHB-SNVBAGLBSA-N 0 0 341.205 3.620 50 5 EHBARN Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc([N+](=O)[O-])cn3)cc2)n1 ZINC000079106183 217195546 /nfs/dbraw/zinc/19/55/46/217195546.db2.gz UDIFWQWNEIUSEB-AWEZNQCLSA-N 0 0 337.383 3.965 50 5 EHBARN O=C1OC(c2ccc(F)cc2)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000013551580 211576755 /nfs/dbraw/zinc/57/67/55/211576755.db2.gz YIFYJVAUOFALJO-VLVOFSMPSA-N 0 0 338.294 3.635 50 5 EHBARN CCOc1cc(C(=O)Nc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OC ZINC000013006764 211509198 /nfs/dbraw/zinc/50/91/98/211509198.db2.gz MLSQASNXMPBBSL-UHFFFAOYSA-N 0 0 344.367 3.871 50 5 EHBARN CC[C@@H]1c2ccsc2CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000012896365 211478046 /nfs/dbraw/zinc/47/80/46/211478046.db2.gz PSHUBAYIGJVNAO-CQSZACIVSA-N 0 0 330.409 3.735 50 5 EHBARN Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])cc1F ZINC000012555662 211409018 /nfs/dbraw/zinc/40/90/18/211409018.db2.gz UPWWNFLHECZPPN-UHFFFAOYSA-N 0 0 331.347 3.873 50 5 EHBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCO1 ZINC000009419360 211080939 /nfs/dbraw/zinc/08/09/39/211080939.db2.gz KXARUYJYJTVAPI-UHFFFAOYSA-N 0 0 349.390 3.509 50 5 EHBARN Cc1nc(C2(NCc3cccc([N+](=O)[O-])c3C)CCCCCC2)no1 ZINC000095347305 218282857 /nfs/dbraw/zinc/28/28/57/218282857.db2.gz CEFKUOMFCSQIKA-UHFFFAOYSA-N 0 0 344.415 3.934 50 5 EHBARN C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000009009762 211029424 /nfs/dbraw/zinc/02/94/24/211029424.db2.gz DENFATLPEALSAB-JTQLQIEISA-N 0 0 343.364 3.611 50 5 EHBARN CCN(CC)c1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000008586830 210970757 /nfs/dbraw/zinc/97/07/57/210970757.db2.gz RJQXQBNHCMAITQ-UHFFFAOYSA-N 0 0 339.355 3.553 50 5 EHBARN O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCCO1 ZINC000008188756 210910044 /nfs/dbraw/zinc/91/00/44/210910044.db2.gz NJSJWTRUXHAZRJ-INIZCTEOSA-N 0 0 344.392 3.864 50 5 EHBARN O=C(/C=C/c1ccco1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000006333926 210619683 /nfs/dbraw/zinc/61/96/83/210619683.db2.gz WDJQAYFJXTWZSF-BQYQJAHWSA-N 0 0 341.348 3.963 50 5 EHBARN CC[C@@H](C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006316708 210617949 /nfs/dbraw/zinc/61/79/49/210617949.db2.gz RMIOWZXAJWTTRI-GFCCVEGCSA-N 0 0 334.397 3.909 50 5 EHBARN COc1cccc(N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000005934321 210562036 /nfs/dbraw/zinc/56/20/36/210562036.db2.gz CGLQJZGTXNGVBC-JTQLQIEISA-N 0 0 349.774 3.696 50 5 EHBARN O=c1[nH]c(-c2cc3c(ccc4ccccc43)oc2=O)nc2ccccc21 ZINC000005091807 210388475 /nfs/dbraw/zinc/38/84/75/210388475.db2.gz LKQONAXYUDYGIR-UHFFFAOYSA-N 0 0 340.338 3.850 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc2c(c1)CCC2 ZINC000005042079 210373192 /nfs/dbraw/zinc/37/31/92/210373192.db2.gz PVNNDDWWSZTBDA-UHFFFAOYSA-N 0 0 343.408 3.901 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@H](C)c1ccc(C)cc1 ZINC000005041619 210371904 /nfs/dbraw/zinc/37/19/04/210371904.db2.gz DMHYEBHDTQSJIW-GFCCVEGCSA-N 0 0 345.424 3.959 50 5 EHBARN CCOc1ccccc1NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000005041390 210371172 /nfs/dbraw/zinc/37/11/72/210371172.db2.gz PIRUDTXYLORUJP-UHFFFAOYSA-N 0 0 347.396 3.811 50 5 EHBARN Cc1cc2cc(CNC(=S)Nc3ccc([N+](=O)[O-])cc3)ccc2[nH]1 ZINC000004924989 210326276 /nfs/dbraw/zinc/32/62/76/210326276.db2.gz CRCNIUKDNVCGQF-UHFFFAOYSA-N 0 0 340.408 3.871 50 5 EHBARN COc1cccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000004856932 210303459 /nfs/dbraw/zinc/30/34/59/210303459.db2.gz NOXHEUOUKDQAHO-UHFFFAOYSA-N 0 0 331.715 3.974 50 5 EHBARN O=[N+]([O-])c1cc(Nc2ccccc2)ccc1S(=O)(=O)C(F)(F)F ZINC000004755020 210271995 /nfs/dbraw/zinc/27/19/95/210271995.db2.gz KTOPJRJWEBUSBM-UHFFFAOYSA-N 0 0 346.286 3.632 50 5 EHBARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000032777335 563728830 /nfs/dbraw/zinc/72/88/30/563728830.db2.gz CWOCPJFTQWINAC-JQWIXIFHSA-N 0 0 349.412 3.523 50 5 EHBARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000032777340 563728869 /nfs/dbraw/zinc/72/88/69/563728869.db2.gz CWOCPJFTQWINAC-CMPLNLGQSA-N 0 0 349.412 3.523 50 5 EHBARN O=c1oc2c(ccc3c2CN(c2ccccn2)CO3)c2ccccc21 ZINC000020566064 563859426 /nfs/dbraw/zinc/85/94/26/563859426.db2.gz CYKILEQPXOKOQW-UHFFFAOYSA-N 0 0 330.343 3.698 50 5 EHBARN O=[N+]([O-])c1cc(Cl)ccc1OCc1nnc(C2CC2)n1C1CC1 ZINC000097083519 563967289 /nfs/dbraw/zinc/96/72/89/563967289.db2.gz ZWUQQVFFVBSYEL-UHFFFAOYSA-N 0 0 334.763 3.631 50 5 EHBARN CN(C)/C=C\c1c(C=O)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1 ZINC000033301780 563973295 /nfs/dbraw/zinc/97/32/95/563973295.db2.gz PTZIZGXMRQIDNS-KHPPLWFESA-N 0 0 349.390 3.943 50 5 EHBARN O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000033330726 563974359 /nfs/dbraw/zinc/97/43/59/563974359.db2.gz CUTDIYSTYJBMMS-XNTDXEJSSA-N 0 0 340.360 3.831 50 5 EHBARN COc1ccc(Cc2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000000087913 563974596 /nfs/dbraw/zinc/97/45/96/563974596.db2.gz OQCJTPAIDWJUHT-UHFFFAOYSA-N 0 0 325.324 3.553 50 5 EHBARN CCOc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OC ZINC000000091568 563976551 /nfs/dbraw/zinc/97/65/51/563976551.db2.gz SGTSHXIECYBUIG-GOSISDBHSA-N 0 0 327.336 3.845 50 5 EHBARN O=C(c1cnc(-c2ccco2)s1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000071799825 563983190 /nfs/dbraw/zinc/98/31/90/563983190.db2.gz ZTVZDKHJEMWZGL-UHFFFAOYSA-N 0 0 341.348 3.514 50 5 EHBARN Cc1nn(C)c(C(=O)Sc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000000121152 563986775 /nfs/dbraw/zinc/98/67/75/563986775.db2.gz FWKLAJYZJHEAFR-UHFFFAOYSA-N 0 0 345.302 3.588 50 5 EHBARN COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)cc([N+](=O)[O-])c1 ZINC000000176821 563987574 /nfs/dbraw/zinc/98/75/74/563987574.db2.gz GBJPWDUBXWLDJS-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000269550 563989873 /nfs/dbraw/zinc/98/98/73/563989873.db2.gz DEPWQIKXPWIFQD-CQSZACIVSA-N 0 0 331.368 3.739 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1N(C(=O)c1ccco1)C(=O)c1ccco1 ZINC000000264250 563989874 /nfs/dbraw/zinc/98/98/74/563989874.db2.gz XZJVNGYXGFGFQG-UHFFFAOYSA-N 0 0 340.291 3.576 50 5 EHBARN Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000000301490 563990760 /nfs/dbraw/zinc/99/07/60/563990760.db2.gz FCVFABVOYNATNN-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN Cc1cc(OCC(=O)Nc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000000375417 563991793 /nfs/dbraw/zinc/99/17/93/563991793.db2.gz KIECPOLHJNQABE-UHFFFAOYSA-N 0 0 343.364 3.530 50 5 EHBARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000000427483 563998159 /nfs/dbraw/zinc/99/81/59/563998159.db2.gz UCMINCSDUAUFOV-RHSMWYFYSA-N 0 0 343.314 3.504 50 5 EHBARN O=c1nc2ccc(Br)cc2c(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000000435754 563999322 /nfs/dbraw/zinc/99/93/22/563999322.db2.gz FIYRWWNMGXINNT-UHFFFAOYSA-N 0 0 346.140 3.673 50 5 EHBARN CCC(=O)Nc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000451000 563999761 /nfs/dbraw/zinc/99/97/61/563999761.db2.gz AMUFBDNQXWIXOD-IZZDOVSWSA-N 0 0 339.351 3.595 50 5 EHBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 ZINC000000462458 564000740 /nfs/dbraw/zinc/00/07/40/564000740.db2.gz GBPGOIRFIDFGPU-UHFFFAOYSA-N 0 0 332.410 3.744 50 5 EHBARN Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000047320735 564026088 /nfs/dbraw/zinc/02/60/88/564026088.db2.gz QCGIFYHGVQMFCD-UHFFFAOYSA-N 0 0 338.323 3.514 50 5 EHBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1F ZINC000047611712 564026538 /nfs/dbraw/zinc/02/65/38/564026538.db2.gz AVSCSAMWAABKSS-UHFFFAOYSA-N 0 0 335.310 3.927 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)c1nccc(C(F)(F)F)n1 ZINC000045025373 564028072 /nfs/dbraw/zinc/02/80/72/564028072.db2.gz KKXUPNMURFJRHC-SECBINFHSA-N 0 0 326.278 3.601 50 5 EHBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccco1 ZINC000007112502 564034110 /nfs/dbraw/zinc/03/41/10/564034110.db2.gz WOMUYTKBBFDWIA-SFHVURJKSA-N 0 0 349.346 3.955 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1F ZINC000024870241 564034204 /nfs/dbraw/zinc/03/42/04/564034204.db2.gz IGBDBTQLXYQKKB-UHFFFAOYSA-N 0 0 337.738 3.746 50 5 EHBARN O=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000001188203 564056279 /nfs/dbraw/zinc/05/62/79/564056279.db2.gz SITPWTZVYMURTP-UVTDQMKNSA-N 0 0 326.333 3.836 50 5 EHBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC000012554311 564059274 /nfs/dbraw/zinc/05/92/74/564059274.db2.gz ASRISLFYXJPXQE-UHFFFAOYSA-N 0 0 335.310 3.704 50 5 EHBARN CCOc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1[N+](=O)[O-] ZINC000015601736 564069196 /nfs/dbraw/zinc/06/91/96/564069196.db2.gz JQWQLJNDKXFRAX-UHFFFAOYSA-N 0 0 341.323 3.695 50 5 EHBARN CSc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000015744400 564072872 /nfs/dbraw/zinc/07/28/72/564072872.db2.gz BOFURKKQZAJJKF-LBPRGKRZSA-N 0 0 330.409 3.850 50 5 EHBARN Cc1c([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cnn1-c1ccc(F)cc1 ZINC000012855504 564075506 /nfs/dbraw/zinc/07/55/06/564075506.db2.gz VEKDUMFPKZUISU-NSHDSACASA-N 0 0 341.346 3.796 50 5 EHBARN O=C(CCSCc1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000013019307 564086852 /nfs/dbraw/zinc/08/68/52/564086852.db2.gz SYRVSUUGMMNIQR-UHFFFAOYSA-N 0 0 342.420 3.807 50 5 EHBARN COc1ccc(O[C@H](C)C(=O)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000007035418 564103498 /nfs/dbraw/zinc/10/34/98/564103498.db2.gz RYNCQHYOCQYUCI-LLVKDONJSA-N 0 0 340.335 3.735 50 5 EHBARN O=C(NC1CC1)[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000007501668 564109419 /nfs/dbraw/zinc/10/94/19/564109419.db2.gz GGGQAUBWEAGGHA-INIZCTEOSA-N 0 0 346.770 3.647 50 5 EHBARN CC(C)n1cnnc1SCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089634502 564112831 /nfs/dbraw/zinc/11/28/31/564112831.db2.gz CYLXLDKVKHEJAS-UHFFFAOYSA-N 0 0 345.384 3.715 50 5 EHBARN O=[N+]([O-])c1cc(Cl)cnc1Sc1nnc(-c2cccs2)o1 ZINC000153525687 564119912 /nfs/dbraw/zinc/11/99/12/564119912.db2.gz OXQHJRAUMWHTKA-UHFFFAOYSA-N 0 0 340.773 3.906 50 5 EHBARN Cc1c([C@H](C)Nc2ccc(N3CCCC3=O)cn2)cccc1[N+](=O)[O-] ZINC000195551673 564123715 /nfs/dbraw/zinc/12/37/15/564123715.db2.gz FREIDUKGLRQHOQ-ZDUSSCGKSA-N 0 0 340.383 3.598 50 5 EHBARN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000019878700 564129077 /nfs/dbraw/zinc/12/90/77/564129077.db2.gz STDLMPPKGVOFAF-UHFFFAOYSA-N 0 0 336.687 3.513 50 5 EHBARN COc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000007939587 564132563 /nfs/dbraw/zinc/13/25/63/564132563.db2.gz JIPUZKOSDWFRLV-UHFFFAOYSA-N 0 0 343.364 3.946 50 5 EHBARN CCCCn1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000002442166 564135236 /nfs/dbraw/zinc/13/52/36/564135236.db2.gz NYITZQMARXMUGO-UHFFFAOYSA-N 0 0 336.395 3.871 50 5 EHBARN Cc1cc(NC(=O)c2ccc3c(c2)OCO3)c(Cl)cc1[N+](=O)[O-] ZINC000012651666 564135390 /nfs/dbraw/zinc/13/53/90/564135390.db2.gz KGPMTVQRSIVMGG-UHFFFAOYSA-N 0 0 334.715 3.538 50 5 EHBARN Cc1ncc(/C=C/C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000078996092 564137533 /nfs/dbraw/zinc/13/75/33/564137533.db2.gz WHOITSGOSMYVEE-AEZGRPFRSA-N 0 0 331.397 3.593 50 5 EHBARN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)C2CC2)cc1 ZINC000124601139 564138238 /nfs/dbraw/zinc/13/82/38/564138238.db2.gz BHMWFNUWKBFKNQ-NSHDSACASA-N 0 0 330.340 3.642 50 5 EHBARN O=C(CSc1ccc2c(c1)CCC2)OCc1ccc([N+](=O)[O-])cc1 ZINC000022535533 564149562 /nfs/dbraw/zinc/14/95/62/564149562.db2.gz UJZSTEFQNAOLGY-UHFFFAOYSA-N 0 0 343.404 3.919 50 5 EHBARN CC(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002779519 564152560 /nfs/dbraw/zinc/15/25/60/564152560.db2.gz COCRBMFRZMLVFQ-UHFFFAOYSA-N 0 0 329.312 3.879 50 5 EHBARN Cn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000002846907 564152813 /nfs/dbraw/zinc/15/28/13/564152813.db2.gz PKGBQEBAMKBHHP-UHFFFAOYSA-N 0 0 326.381 3.683 50 5 EHBARN O=c1oc2c(ccc3c2CN(Cc2cccnc2)CO3)c2ccccc21 ZINC000057151111 564153344 /nfs/dbraw/zinc/15/33/44/564153344.db2.gz YDAHQVVCGKWUBD-UHFFFAOYSA-N 0 0 344.370 3.693 50 5 EHBARN Cc1ccc(SCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002985803 564154190 /nfs/dbraw/zinc/15/41/90/564154190.db2.gz GGHOFJIMHMKOOT-IZZDOVSWSA-N 0 0 342.420 3.825 50 5 EHBARN COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000003093772 564155107 /nfs/dbraw/zinc/15/51/07/564155107.db2.gz YKGNKEYGCNPCPM-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN CSc1ccc(NC(=O)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000031524229 564159494 /nfs/dbraw/zinc/15/94/94/564159494.db2.gz HHFAEKUZENJWBV-UHFFFAOYSA-N 0 0 332.381 3.724 50 5 EHBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2noc(C)n2)cc1 ZINC000031752643 564159803 /nfs/dbraw/zinc/15/98/03/564159803.db2.gz SPHUDEUSWFAHCP-UHFFFAOYSA-N 0 0 341.323 3.541 50 5 EHBARN O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000007980052 564161719 /nfs/dbraw/zinc/16/17/19/564161719.db2.gz RQKCYTVMUXMRFB-UHFFFAOYSA-N 0 0 342.685 3.544 50 5 EHBARN Cc1ccccc1-c1noc(CNc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000008744626 564167192 /nfs/dbraw/zinc/16/71/92/564167192.db2.gz GEQWFEULUVQTDC-UHFFFAOYSA-N 0 0 328.303 3.704 50 5 EHBARN C[C@H](Sc1c([N+](=O)[O-])ncn1C)c1cccc(Br)c1 ZINC000292348168 564177401 /nfs/dbraw/zinc/17/74/01/564177401.db2.gz QMFYKSWTPSYMKE-QMMMGPOBSA-N 0 0 342.218 3.944 50 5 EHBARN Cc1ccnc2sc(C(=O)c3cc([N+](=O)[O-])ccc3Cl)c(N)c21 ZINC000675028904 1039947049 /nfs/dbraw/zinc/94/70/49/1039947049.db2.gz BEMPOQLKESJZDL-UHFFFAOYSA-N 0 0 347.783 3.980 50 5 EHBARN O=C(Nc1ccc(Cl)cc1)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000003069969 1129907187 /nfs/dbraw/zinc/90/71/87/1129907187.db2.gz HBDDACULCCXCBS-UHFFFAOYSA-N 0 0 342.742 3.686 50 5 EHBARN Cc1ccccc1[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000052486486 214129671 /nfs/dbraw/zinc/12/96/71/214129671.db2.gz CYFVCAOPQUKIKS-HNNXBMFYSA-N 0 0 339.399 3.609 50 5 EHBARN O=[N+]([O-])c1cc(CN2CCN(c3ccccc3)CC2)ccc1Cl ZINC000055543251 214328824 /nfs/dbraw/zinc/32/88/24/214328824.db2.gz OTXLOANFBHEBII-UHFFFAOYSA-N 0 0 331.803 3.570 50 5 EHBARN CC1(C)O[C@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000004336534 210174810 /nfs/dbraw/zinc/17/48/10/210174810.db2.gz JXLZFRWTHJSBCO-DLBZAZTESA-N 0 0 327.336 3.670 50 5 EHBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000004081932 210115350 /nfs/dbraw/zinc/11/53/50/210115350.db2.gz JXNYBOYTMCUHHD-UHFFFAOYSA-N 0 0 339.351 3.573 50 5 EHBARN COc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004056110 210109135 /nfs/dbraw/zinc/10/91/35/210109135.db2.gz WGYJAPCHDNOJFR-UHFFFAOYSA-N 0 0 344.367 3.710 50 5 EHBARN Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc2c1 ZINC000003833375 210078865 /nfs/dbraw/zinc/07/88/65/210078865.db2.gz LCRWBOYTBKXZLQ-UHFFFAOYSA-N 0 0 342.380 3.510 50 5 EHBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc21 ZINC000003538081 210049883 /nfs/dbraw/zinc/04/98/83/210049883.db2.gz VPNGODBSRUUYOL-LLVKDONJSA-N 0 0 345.786 3.638 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(F)ccc1F ZINC000003447761 210043357 /nfs/dbraw/zinc/04/33/57/210043357.db2.gz PBZIYHDLDAMZDV-UHFFFAOYSA-N 0 0 342.685 3.544 50 5 EHBARN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1Oc1ccccc1O ZINC000003356693 210017100 /nfs/dbraw/zinc/01/71/00/210017100.db2.gz ZLZJSVRTAGHLCE-UHFFFAOYSA-N 0 0 325.324 3.895 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000043127061 213563679 /nfs/dbraw/zinc/56/36/79/213563679.db2.gz UOFPZLHTEJISLM-JTQLQIEISA-N 0 0 333.319 3.625 50 5 EHBARN Cc1nc([N+](=O)[O-])c(NCC(c2ccccc2)c2ccccc2)n1C ZINC000104095099 219346534 /nfs/dbraw/zinc/34/65/34/219346534.db2.gz BNNHJMWJRZONGD-UHFFFAOYSA-N 0 0 336.395 3.881 50 5 EHBARN CC(C)CCN(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000040070959 213257731 /nfs/dbraw/zinc/25/77/31/213257731.db2.gz HONHCCBNNLJXJW-UHFFFAOYSA-N 0 0 336.435 3.659 50 5 EHBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCc1ccccc1F ZINC000040068758 213256605 /nfs/dbraw/zinc/25/66/05/213256605.db2.gz TZARQLPGJONHMP-ZDUSSCGKSA-N 0 0 345.374 3.679 50 5 EHBARN O=C1OC(c2ccccc2F)=N/C1=C/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000482996 209629324 /nfs/dbraw/zinc/62/93/24/209629324.db2.gz NFHOJPSZUPPXQG-XLVDTEJUSA-N 0 0 338.294 3.635 50 5 EHBARN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(C(C)(C)C)[nH]c1=S ZINC000032923176 212872889 /nfs/dbraw/zinc/87/28/89/212872889.db2.gz GBMYZVCSGWDECR-JTQLQIEISA-N 0 0 347.444 3.555 50 5 EHBARN Cn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000032714697 212828222 /nfs/dbraw/zinc/82/82/22/212828222.db2.gz XEAHNQRHVKIFJS-FOWTUZBSSA-N 0 0 349.346 3.683 50 5 EHBARN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000180273 209467810 /nfs/dbraw/zinc/46/78/10/209467810.db2.gz FPAXFSDYTHWSQR-QGZVFWFLSA-N 0 0 344.392 3.772 50 5 EHBARN O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccc(Cl)cc1 ZINC000019959351 212090403 /nfs/dbraw/zinc/09/04/03/212090403.db2.gz PQIWESGOBKARGY-UHFFFAOYSA-N 0 0 346.777 3.840 50 5 EHBARN O=[N+]([O-])c1cc(CSc2nnnn2C2CCCC2)ccc1Cl ZINC000078355200 217043659 /nfs/dbraw/zinc/04/36/59/217043659.db2.gz HBXMTXHUBATNHK-UHFFFAOYSA-N 0 0 339.808 3.642 50 5 EHBARN Cc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000078774533 217119049 /nfs/dbraw/zinc/11/90/49/217119049.db2.gz ZDOLKDNMWUHZDS-MRXNPFEDSA-N 0 0 326.352 3.973 50 5 EHBARN Cc1ccc(NCCc2csc(N3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000080649087 217322007 /nfs/dbraw/zinc/32/20/07/217322007.db2.gz MJLXCLULMDCMTA-UHFFFAOYSA-N 0 0 332.429 3.615 50 5 EHBARN COc1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000014322629 211732546 /nfs/dbraw/zinc/73/25/46/211732546.db2.gz QAAOWRDZPJMPJH-HNNXBMFYSA-N 0 0 343.339 3.853 50 5 EHBARN O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000013563618 211580964 /nfs/dbraw/zinc/58/09/64/211580964.db2.gz TZQCYQRWFUHDCS-GXDHUFHOSA-N 0 0 326.333 3.836 50 5 EHBARN O=[N+]([O-])c1cccnc1N1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000089773267 217840744 /nfs/dbraw/zinc/84/07/44/217840744.db2.gz KICWBQWOKLUMMF-HIFRSBDPSA-N 0 0 347.440 3.924 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)c(Cl)c1 ZINC000092825909 218173212 /nfs/dbraw/zinc/17/32/12/218173212.db2.gz JTABBCMCNGNZLC-NSHDSACASA-N 0 0 347.806 3.559 50 5 EHBARN Cc1cccc(C)c1NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000009691790 211116925 /nfs/dbraw/zinc/11/69/25/211116925.db2.gz RQHJKDLPCMLTHD-VOTSOKGWSA-N 0 0 340.335 3.592 50 5 EHBARN Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000095431749 218373380 /nfs/dbraw/zinc/37/33/80/218373380.db2.gz REEGUKFFCYQAIU-UHFFFAOYSA-N 0 0 328.368 3.913 50 5 EHBARN CC(=O)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(C)C ZINC000095439149 218383051 /nfs/dbraw/zinc/38/30/51/218383051.db2.gz QDHAYCPTMXSXLV-UHFFFAOYSA-N 0 0 333.413 3.518 50 5 EHBARN COc1ccc(C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000005041618 210371525 /nfs/dbraw/zinc/37/15/25/210371525.db2.gz VSSSAFLFDAMFBB-UHFFFAOYSA-N 0 0 331.328 3.564 50 5 EHBARN Cc1ccsc1-c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000005013395 210360788 /nfs/dbraw/zinc/36/07/88/210360788.db2.gz KVEUUCBOIDBEIV-UHFFFAOYSA-N 0 0 346.393 3.736 50 5 EHBARN CCOc1ccccc1Nc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000004994092 210352919 /nfs/dbraw/zinc/35/29/19/210352919.db2.gz OFVBEMAPSVWMLO-UHFFFAOYSA-N 0 0 326.308 3.844 50 5 EHBARN O=C1Nc2ccc(Br)cc2[C@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000004870322 210310529 /nfs/dbraw/zinc/31/05/29/210310529.db2.gz ZGEHUYODCJIRMD-CYBMUJFWSA-N 0 0 347.168 3.636 50 5 EHBARN Cc1ccccc1N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000055543610 132195745 /nfs/dbraw/zinc/19/57/45/132195745.db2.gz ZHDYGNUTIJSKQN-UHFFFAOYSA-N 0 0 345.830 3.879 50 5 EHBARN COC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000000466604 563328430 /nfs/dbraw/zinc/32/84/30/563328430.db2.gz QFAVWFRRFDMBRT-UHFFFAOYSA-N 0 0 325.755 3.564 50 5 EHBARN Cc1noc(C)c1CCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071911335 563586063 /nfs/dbraw/zinc/58/60/63/563586063.db2.gz KBFXIMWYQBMJFA-UHFFFAOYSA-N 0 0 338.747 3.529 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccnc1SC(F)F ZINC000032737953 563712940 /nfs/dbraw/zinc/71/29/40/563712940.db2.gz QIKYBXILBLWTSG-UHFFFAOYSA-N 0 0 325.296 3.557 50 5 EHBARN Cc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000060015000 563759974 /nfs/dbraw/zinc/75/99/74/563759974.db2.gz IWWYROVKUNGMKI-OAHLLOKOSA-N 0 0 330.771 3.974 50 5 EHBARN NC(=O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 ZINC000058184757 563939295 /nfs/dbraw/zinc/93/92/95/563939295.db2.gz ATRAQBLSQLIXDT-UHFFFAOYSA-N 0 0 341.370 3.739 50 5 EHBARN O=C(Nc1cccnc1)c1cccc(OCc2ccccc2)c1[N+](=O)[O-] ZINC000000222372 563988797 /nfs/dbraw/zinc/98/87/97/563988797.db2.gz JZZWCEJBOLYTSS-UHFFFAOYSA-N 0 0 349.346 3.821 50 5 EHBARN O=C(Nc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000000476784 564006175 /nfs/dbraw/zinc/00/61/75/564006175.db2.gz XFXXIKPCWMVOSJ-UHFFFAOYSA-N 0 0 337.788 3.836 50 5 EHBARN O=C(Nc1ncccc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000179890084 564016934 /nfs/dbraw/zinc/01/69/34/564016934.db2.gz HLBSPGYFPPWCIE-UHFFFAOYSA-N 0 0 345.664 3.914 50 5 EHBARN O=[N+]([O-])c1cc(CN2c3cccc4cccc(c34)S2(=O)=O)cs1 ZINC000047171721 564025839 /nfs/dbraw/zinc/02/58/39/564025839.db2.gz WEEXGTMRRJFRAH-UHFFFAOYSA-N 0 0 346.389 3.518 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCOc1ccccc1 ZINC000015178880 564056019 /nfs/dbraw/zinc/05/60/19/564056019.db2.gz GZLXUBYLEITKNQ-CQSZACIVSA-N 0 0 328.368 3.583 50 5 EHBARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000012591036 564060242 /nfs/dbraw/zinc/06/02/42/564060242.db2.gz YCOPQEORNUTPSA-GASCZTMLSA-N 0 0 345.443 3.703 50 5 EHBARN Cc1cccc(NCc2ccccc2[N+](=O)[O-])c1C(=O)N1CCCC1 ZINC000083133867 564061551 /nfs/dbraw/zinc/06/15/51/564061551.db2.gz KGLIOJWNMJNXOI-UHFFFAOYSA-N 0 0 339.395 3.751 50 5 EHBARN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000012687655 564062605 /nfs/dbraw/zinc/06/26/05/564062605.db2.gz JYJWXIWPGFBGOR-UHFFFAOYSA-N 0 0 327.365 3.871 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000012700378 564063479 /nfs/dbraw/zinc/06/34/79/564063479.db2.gz KFNDHXJTGZKANE-UHFFFAOYSA-N 0 0 340.257 3.875 50 5 EHBARN Cc1cc(F)cc(C(=O)Nc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000084086297 564066320 /nfs/dbraw/zinc/06/63/20/564066320.db2.gz YOQQMEVKKAFISF-UHFFFAOYSA-N 0 0 349.265 3.770 50 5 EHBARN Cc1cc(NCCc2nc3cc(F)ccc3s2)ncc1[N+](=O)[O-] ZINC000084116891 564066727 /nfs/dbraw/zinc/06/67/27/564066727.db2.gz WGPQMASQJXHTPA-UHFFFAOYSA-N 0 0 332.360 3.702 50 5 EHBARN C[C@H]1C[C@H](c2ccsc2)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087323151 564069049 /nfs/dbraw/zinc/06/90/49/564069049.db2.gz VNAIYLAPABJCKI-BBRMVZONSA-N 0 0 344.436 3.994 50 5 EHBARN CCOc1ccc(C(C)=O)cc1COc1cc([N+](=O)[O-])ccc1OC ZINC000012812108 564072827 /nfs/dbraw/zinc/07/28/27/564072827.db2.gz ULFMOQNCVKDAKY-UHFFFAOYSA-N 0 0 345.351 3.784 50 5 EHBARN Cc1noc(C)c1COc1cc([N+](=O)[O-])ccc1Br ZINC000225532851 564074158 /nfs/dbraw/zinc/07/41/58/564074158.db2.gz YXEXJHDVQKIQLP-UHFFFAOYSA-N 0 0 327.134 3.541 50 5 EHBARN COCCn1ccc2cc(Nc3cc(C)c([N+](=O)[O-])cn3)ccc21 ZINC000074748716 564079107 /nfs/dbraw/zinc/07/91/07/564079107.db2.gz YAFWKKXCCYACMY-UHFFFAOYSA-N 0 0 326.356 3.643 50 5 EHBARN CC(C)=C[C@H]1[C@H](C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000075261079 564081225 /nfs/dbraw/zinc/08/12/25/564081225.db2.gz QCWKWMUWGYYCRV-UONOGXRCSA-N 0 0 347.440 3.646 50 5 EHBARN Cc1ccc([C@@H](C)Nc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000170592771 564108902 /nfs/dbraw/zinc/10/89/02/564108902.db2.gz DEBXNEBCPVFXPL-JCQPUDPBSA-N 0 0 332.425 3.955 50 5 EHBARN O=C(CSc1ncccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000089773363 564113640 /nfs/dbraw/zinc/11/36/40/564113640.db2.gz YQUJOACSCYGQSA-UHFFFAOYSA-N 0 0 332.425 3.867 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC(Oc2ccccc2Cl)C1 ZINC000089814448 564114025 /nfs/dbraw/zinc/11/40/25/564114025.db2.gz UCADCZOZZUJTJV-UHFFFAOYSA-N 0 0 347.758 3.543 50 5 EHBARN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(C)c2[N+](=O)[O-])C12CCCC2 ZINC000170636838 564117337 /nfs/dbraw/zinc/11/73/37/564117337.db2.gz LFWNSCOSGHLVMI-CVEARBPZSA-N 0 0 346.427 3.713 50 5 EHBARN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccsc1 ZINC000252452651 564118593 /nfs/dbraw/zinc/11/85/93/564118593.db2.gz UGWVAISODHQJIW-WBMJQRKESA-N 0 0 345.424 3.820 50 5 EHBARN Cn1c2ccc([N+](=O)[O-])cc2sc1=NC(=O)c1cccc(Cl)c1 ZINC000252639366 564124604 /nfs/dbraw/zinc/12/46/04/564124604.db2.gz YKFDRPQBQNRXMT-UHFFFAOYSA-N 0 0 347.783 3.543 50 5 EHBARN O=C1Nc2cc(Cl)ccc2Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 ZINC000002384501 564134082 /nfs/dbraw/zinc/13/40/82/564134082.db2.gz DTNSBEHTNAGKQO-UHFFFAOYSA-N 0 0 335.659 3.514 50 5 EHBARN CCCCc1ccc(NC(=O)CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007955018 564136400 /nfs/dbraw/zinc/13/64/00/564136400.db2.gz KOXQQCNMFHDIPN-UHFFFAOYSA-N 0 0 327.384 3.988 50 5 EHBARN O=[N+]([O-])c1ccc(-n2nnc(Br)c2-c2ccccc2)cc1 ZINC000096306202 564146671 /nfs/dbraw/zinc/14/66/71/564146671.db2.gz WVWWMRXQRLVFAJ-UHFFFAOYSA-N 0 0 345.156 3.605 50 5 EHBARN COC(=O)/C=C\c1ccc(NCc2sccc2C)c([N+](=O)[O-])c1 ZINC000097029980 564149242 /nfs/dbraw/zinc/14/92/42/564149242.db2.gz SNXRVINODHXBAN-XQRVVYSFSA-N 0 0 332.381 3.763 50 5 EHBARN Cc1c(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000029458367 564153451 /nfs/dbraw/zinc/15/34/51/564153451.db2.gz DVPMDEJOSPABNF-CYBMUJFWSA-N 0 0 339.395 3.831 50 5 EHBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nccc(C(F)(F)F)n1 ZINC000029525656 564153676 /nfs/dbraw/zinc/15/36/76/564153676.db2.gz OOUBDKMSYCOZLS-UHFFFAOYSA-N 0 0 346.696 3.693 50 5 EHBARN CC(/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O)=C/c1ccccc1 ZINC000003174085 564155653 /nfs/dbraw/zinc/15/56/53/564155653.db2.gz YHKYPNUYZHSYSW-HLXADAOKSA-N 0 0 334.331 3.886 50 5 EHBARN Cc1[nH]c2ccccc2c1/C=C1/N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000003269145 564156735 /nfs/dbraw/zinc/15/67/35/564156735.db2.gz PYDYLKOUXRDILM-LICLKQGHSA-N 0 0 347.330 3.729 50 5 EHBARN CC(C)(C)c1ncc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000058269156 564158268 /nfs/dbraw/zinc/15/82/68/564158268.db2.gz DIFFTHYFYFAGPF-UHFFFAOYSA-N 0 0 331.397 3.552 50 5 EHBARN C[C@H](Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC000004104315 564160561 /nfs/dbraw/zinc/16/05/61/564160561.db2.gz JNJQPGQRNYZXRG-AWEZNQCLSA-N 0 0 327.384 3.605 50 5 EHBARN O=C(c1cc(NCc2ccc(F)cc2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000077523822 564176768 /nfs/dbraw/zinc/17/67/68/564176768.db2.gz PYGFDSMOMQBJTE-UHFFFAOYSA-N 0 0 343.358 3.582 50 5 EHBARN CCOc1cc(C=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000308281 1030661337 /nfs/dbraw/zinc/66/13/37/1030661337.db2.gz XIZLODGFUGXCDB-UHFFFAOYSA-N 0 0 349.726 3.679 50 5 EHBARN O=C(Nc1ccccc1)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000054389243 214236249 /nfs/dbraw/zinc/23/62/49/214236249.db2.gz ZDZVVRXLVCKLPW-GOSISDBHSA-N 0 0 348.362 3.782 50 5 EHBARN CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000055901680 214347813 /nfs/dbraw/zinc/34/78/13/214347813.db2.gz BQTXNUOYRYFGPJ-UHFFFAOYSA-N 0 0 347.758 3.767 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583058 210226528 /nfs/dbraw/zinc/22/65/28/210226528.db2.gz WZANQKOCIZVMNP-UHFFFAOYSA-N 0 0 336.691 3.800 50 5 EHBARN O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(Cl)cc12 ZINC000004525319 210214045 /nfs/dbraw/zinc/21/40/45/210214045.db2.gz WLLNRXGKIHMUAP-FPYGCLRLSA-N 0 0 328.711 3.920 50 5 EHBARN Cc1ccc(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])o2)c(C)c1 ZINC000004479464 210198984 /nfs/dbraw/zinc/19/89/84/210198984.db2.gz GAJADEBQGPJJND-UHFFFAOYSA-N 0 0 338.323 3.514 50 5 EHBARN COC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000004366245 210180429 /nfs/dbraw/zinc/18/04/29/210180429.db2.gz RZAMUVWWAVOQSC-UHFFFAOYSA-N 0 0 329.356 3.818 50 5 EHBARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1C ZINC000101185850 219118626 /nfs/dbraw/zinc/11/86/26/219118626.db2.gz MGOBIWYEAMRIER-GOSISDBHSA-N 0 0 347.378 3.859 50 5 EHBARN COc1ccc(C)c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000004330833 210173053 /nfs/dbraw/zinc/17/30/53/210173053.db2.gz JVVAILJRPRNEED-UHFFFAOYSA-N 0 0 343.364 3.774 50 5 EHBARN Cc1cc2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[nH]1 ZINC000004138068 210129581 /nfs/dbraw/zinc/12/95/81/210129581.db2.gz IUDVQMKBJANCGL-UHFFFAOYSA-N 0 0 343.770 3.968 50 5 EHBARN COc1ccc(NC(=O)/C=C/c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003960199 210095536 /nfs/dbraw/zinc/09/55/36/210095536.db2.gz VDPWFUSQEUDJFO-RMKNXTFCSA-N 0 0 332.743 3.909 50 5 EHBARN Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000003880772 210083691 /nfs/dbraw/zinc/08/36/91/210083691.db2.gz SCZWJXTUYYSKGF-UHFFFAOYSA-N 0 0 340.382 3.697 50 5 EHBARN Cc1ccc(Oc2nc(C)nc3sc4c(c32)CCC4)c([N+](=O)[O-])n1 ZINC000003426389 210035932 /nfs/dbraw/zinc/03/59/32/210035932.db2.gz HCSBYLFHVBPJMF-UHFFFAOYSA-N 0 0 342.380 3.892 50 5 EHBARN CN(Cc1cccc(Cl)c1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003431055 210037210 /nfs/dbraw/zinc/03/72/10/210037210.db2.gz ZDVJQDURCIPWQS-CMDGGOBGSA-N 0 0 330.771 3.920 50 5 EHBARN CC(C)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000001800563 209795431 /nfs/dbraw/zinc/79/54/31/209795431.db2.gz ICKVLARLPZKOTG-UHFFFAOYSA-N 0 0 330.296 3.846 50 5 EHBARN Cc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3F)no2)cc1 ZINC000040116547 213268484 /nfs/dbraw/zinc/26/84/84/213268484.db2.gz QEZYFTURAWHWOF-UHFFFAOYSA-N 0 0 329.287 3.671 50 5 EHBARN O=[N+]([O-])c1ccc(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)nc1 ZINC000040083227 213259061 /nfs/dbraw/zinc/25/90/61/213259061.db2.gz ABIBRCXRNCZADS-QGZVFWFLSA-N 0 0 349.394 3.724 50 5 EHBARN O=C(NCCSC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000040082551 213258817 /nfs/dbraw/zinc/25/88/17/213258817.db2.gz UXHXMSYFMRMGLA-UHFFFAOYSA-N 0 0 328.821 3.654 50 5 EHBARN CCCC(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000614159 209678651 /nfs/dbraw/zinc/67/86/51/209678651.db2.gz FBEBWDBLAHNCQQ-UHFFFAOYSA-N 0 0 342.351 3.595 50 5 EHBARN COc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)c1 ZINC000036753972 213117155 /nfs/dbraw/zinc/11/71/55/213117155.db2.gz AGXRDFBKCKLBHP-UHFFFAOYSA-N 0 0 342.395 3.777 50 5 EHBARN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000036391440 213094866 /nfs/dbraw/zinc/09/48/66/213094866.db2.gz VIAOEKQXUJAMDC-UHFFFAOYSA-N 0 0 342.248 3.683 50 5 EHBARN O=C(C1CCCC1)N1CCn2cccc2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035515997 213035548 /nfs/dbraw/zinc/03/55/48/213035548.db2.gz VPSPNFKRKRECKM-GOSISDBHSA-N 0 0 339.395 3.518 50 5 EHBARN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1F)N1CCC1 ZINC000032817926 212848872 /nfs/dbraw/zinc/84/88/72/212848872.db2.gz ZVFCNPAPYFHADV-UHFFFAOYSA-N 0 0 332.356 3.731 50 5 EHBARN CCOC(=O)CCc1ccc2c(c1)N[C@@H](c1ccc([N+](=O)[O-])s1)O2 ZINC000000094482 209416880 /nfs/dbraw/zinc/41/68/80/209416880.db2.gz ZXHIMZHFDXCWSC-MRXNPFEDSA-N 0 0 348.380 3.655 50 5 EHBARN CN(Cc1ccccc1[N+](=O)[O-])c1ncnc2c3ccccc3oc21 ZINC000025495710 212484516 /nfs/dbraw/zinc/48/45/16/212484516.db2.gz HAOMJYARWFKUCG-UHFFFAOYSA-N 0 0 334.335 3.921 50 5 EHBARN CC(C)Nc1ccc(-c2noc(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000020894432 212182978 /nfs/dbraw/zinc/18/29/78/212182978.db2.gz GGKXRUNZYIRGHL-UHFFFAOYSA-N 0 0 325.328 3.527 50 5 EHBARN C[C@@H]1C[C@H](C)CN(C(=S)Sc2ccc([N+](=O)[O-])cc2C=O)C1 ZINC000013574148 211583873 /nfs/dbraw/zinc/58/38/73/211583873.db2.gz RRAKSLJSZXGXFL-PHIMTYICSA-N 0 0 338.454 3.762 50 5 EHBARN Cc1cc(F)cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1[N+](=O)[O-] ZINC000089587367 217815054 /nfs/dbraw/zinc/81/50/54/217815054.db2.gz PQNVVBOJJSKCSU-UHFFFAOYSA-N 0 0 342.326 3.814 50 5 EHBARN Cc1cc(C(=O)NCCCn2ccc3ccccc32)ccc1[N+](=O)[O-] ZINC000012517522 211395978 /nfs/dbraw/zinc/39/59/78/211395978.db2.gz PKQAFBPUZFXDBH-UHFFFAOYSA-N 0 0 337.379 3.678 50 5 EHBARN O=C(NCc1ccc(F)cc1)c1cccc2nc3ccccc3nc21 ZINC000012277014 211332817 /nfs/dbraw/zinc/33/28/17/211332817.db2.gz XJGORBKHJISIPN-UHFFFAOYSA-N 0 0 331.350 3.852 50 5 EHBARN CSc1ccccc1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000011034932 211201145 /nfs/dbraw/zinc/20/11/45/211201145.db2.gz ADOCBBDSAWTAJG-NSHDSACASA-N 0 0 332.381 3.723 50 5 EHBARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000011002902 211199758 /nfs/dbraw/zinc/19/97/58/211199758.db2.gz DQEQIIZBIICDPS-UHFFFAOYSA-N 0 0 348.742 3.662 50 5 EHBARN O=C(NCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000010893707 211194252 /nfs/dbraw/zinc/19/42/52/211194252.db2.gz RGRCOFIVXAAKEO-UHFFFAOYSA-N 0 0 339.376 3.648 50 5 EHBARN CC(C)CNc1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000009328426 211070183 /nfs/dbraw/zinc/07/01/83/211070183.db2.gz ZXNKJPFZQMPRHF-UHFFFAOYSA-N 0 0 337.379 3.967 50 5 EHBARN O=C(Nc1ccc(Br)cc1)c1ccccc1CC[N+](=O)[O-] ZINC000008773022 211003622 /nfs/dbraw/zinc/00/36/22/211003622.db2.gz LVTDJARQNFEEFI-UHFFFAOYSA-N 0 0 349.184 3.521 50 5 EHBARN CS[C@@H]1CC[C@@H](N(C)C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000095417308 218356887 /nfs/dbraw/zinc/35/68/87/218356887.db2.gz CHZALEBHQLZJFX-NXEZZACHSA-N 0 0 328.821 3.604 50 5 EHBARN O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1C1CC1 ZINC000007889741 210861157 /nfs/dbraw/zinc/86/11/57/210861157.db2.gz ZTBLRSDSQSENAP-MRXNPFEDSA-N 0 0 343.770 3.977 50 5 EHBARN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC ZINC000005028052 210366894 /nfs/dbraw/zinc/36/68/94/210366894.db2.gz QCNJBJJHRITHFS-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN Cc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] ZINC000004892103 210315079 /nfs/dbraw/zinc/31/50/79/210315079.db2.gz YMSQCSWAMHDGSV-UHFFFAOYSA-N 0 0 328.412 3.849 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000004893290 210314885 /nfs/dbraw/zinc/31/48/85/210314885.db2.gz NADKWVZTBNOQSU-UHFFFAOYSA-N 0 0 332.184 3.543 50 5 EHBARN O=C1OC(c2cccc(F)c2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000004837413 210293782 /nfs/dbraw/zinc/29/37/82/210293782.db2.gz MQJJLURVRCKZNH-PPFNYLEDSA-N 0 0 338.294 3.635 50 5 EHBARN CC(=O)Nc1cccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004771279 210274107 /nfs/dbraw/zinc/27/41/07/210274107.db2.gz ROFOOWXFMVBHTJ-UHFFFAOYSA-N 0 0 349.730 3.818 50 5 EHBARN O=[N+]([O-])c1cccc(COc2c(Cl)cc(CO)cc2Cl)c1 ZINC000000469818 564000746 /nfs/dbraw/zinc/00/07/46/564000746.db2.gz VLPOQUZAHFHRLO-UHFFFAOYSA-N 0 0 328.151 3.973 50 5 EHBARN CC(C(=O)Nc1cccc([N+](=O)[O-])c1)(C(F)(F)F)C(F)(F)F ZINC000002282151 564130245 /nfs/dbraw/zinc/13/02/45/564130245.db2.gz AFJAOHMCWANYRF-UHFFFAOYSA-N 0 0 330.184 3.664 50 5 EHBARN Cc1c2ccccc2nc2c(F)c(N3CCN(C)CC3)c(F)c(F)c12 ZINC000004168853 563496784 /nfs/dbraw/zinc/49/67/84/563496784.db2.gz HUWSKUKVSSSWGK-UHFFFAOYSA-N 0 0 345.368 3.866 50 5 EHBARN O=[N+]([O-])c1ccc2nc3c4ccccc4[nH]c3c(N3CCOCC3)c2c1 ZINC000022147034 563918522 /nfs/dbraw/zinc/91/85/22/563918522.db2.gz YDKRGCBUWJJLCL-UHFFFAOYSA-N 0 0 348.362 3.614 50 5 EHBARN C[S@@](=O)Cc1ccc(Cl)c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000096427543 563952293 /nfs/dbraw/zinc/95/22/93/563952293.db2.gz JOTUEYVWMQGTHW-NRFANRHFSA-N 0 0 344.845 3.800 50 5 EHBARN COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000097094831 563967424 /nfs/dbraw/zinc/96/74/24/563967424.db2.gz RHWPFHCZSMSFHO-OAHLLOKOSA-N 0 0 345.355 3.703 50 5 EHBARN CC(=C/c1ccccc1)/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000033306372 563973381 /nfs/dbraw/zinc/97/33/81/563973381.db2.gz SNEXHWSYNRCYIX-RQGFIEOQSA-N 0 0 334.331 3.886 50 5 EHBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccs1 ZINC000043944574 563976380 /nfs/dbraw/zinc/97/63/80/563976380.db2.gz PUCBSXMGIUPWBO-ZDUSSCGKSA-N 0 0 347.352 3.542 50 5 EHBARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000000127787 563986891 /nfs/dbraw/zinc/98/68/91/563986891.db2.gz QMKZYMMHEUQWHV-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1cccc(F)c1 ZINC000000180490 563987811 /nfs/dbraw/zinc/98/78/11/563987811.db2.gz GPIFTYUAUJJTPJ-UHFFFAOYSA-N 0 0 344.327 3.505 50 5 EHBARN O=C(NC1CCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004895899 563992278 /nfs/dbraw/zinc/99/22/78/563992278.db2.gz UJMFYSNDRKOERK-UHFFFAOYSA-N 0 0 331.416 3.648 50 5 EHBARN Cc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000000452952 563999763 /nfs/dbraw/zinc/99/97/63/563999763.db2.gz QIHHOACPIKBBAD-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000452322 563999768 /nfs/dbraw/zinc/99/97/68/563999768.db2.gz BNSOUKGLSUMJDD-RUDMXATFSA-N 0 0 332.743 3.909 50 5 EHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1OC(F)F ZINC000005512270 564006013 /nfs/dbraw/zinc/00/60/13/564006013.db2.gz CDWBOMZXMVSBIB-JXMROGBWSA-N 0 0 334.278 3.848 50 5 EHBARN C[C@@H]1CCC[C@H](N=C2NN=C(c3cccc([N+](=O)[O-])c3)CS2)[C@H]1C ZINC000103911496 564023341 /nfs/dbraw/zinc/02/33/41/564023341.db2.gz AYHLQCBYPRKGOI-XUJVJEKNSA-N 0 0 346.456 3.816 50 5 EHBARN CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000110688792 564025931 /nfs/dbraw/zinc/02/59/31/564025931.db2.gz COUDLCBJUJGUEX-YGPZVILASA-N 0 0 338.473 3.634 50 5 EHBARN CC1(C)CC(=O)c2c(O)cc(OCc3ccc([N+](=O)[O-])cc3)cc2O1 ZINC000000615076 564031835 /nfs/dbraw/zinc/03/18/35/564031835.db2.gz NFWIFECWFBOFCT-UHFFFAOYSA-N 0 0 343.335 3.623 50 5 EHBARN C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012554303 564059279 /nfs/dbraw/zinc/05/92/79/564059279.db2.gz ALAXFCYWOXDQPT-LBPRGKRZSA-N 0 0 325.368 3.523 50 5 EHBARN O=C(NCCc1cccs1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079300924 564061964 /nfs/dbraw/zinc/06/19/64/564061964.db2.gz FEGOOYBQJJUHGI-UHFFFAOYSA-N 0 0 344.314 3.648 50 5 EHBARN COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-] ZINC000012760720 564067551 /nfs/dbraw/zinc/06/75/51/564067551.db2.gz DQPKZIOGVDJCSF-UHFFFAOYSA-N 0 0 347.396 3.581 50 5 EHBARN O=C(N1CCc2ccc([N+](=O)[O-])cc21)C1(c2cccc(Cl)c2)CC1 ZINC000012853354 564075445 /nfs/dbraw/zinc/07/54/45/564075445.db2.gz BQBMOAISQQISSO-UHFFFAOYSA-N 0 0 342.782 3.869 50 5 EHBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C3SC(=S)N=C3SC[C@@H]1CO2 ZINC000001803102 564087792 /nfs/dbraw/zinc/08/77/92/564087792.db2.gz UMDGOHCADRSKAX-QUBYGPBYSA-N 0 0 338.435 3.586 50 5 EHBARN CCC[C@H](C)NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000006560462 564092076 /nfs/dbraw/zinc/09/20/76/564092076.db2.gz ZEUUAEAZFGBPJW-VIFPVBQESA-N 0 0 339.442 3.601 50 5 EHBARN O=[N+]([O-])c1ccc(N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)nc1 ZINC000170024450 564104895 /nfs/dbraw/zinc/10/48/95/564104895.db2.gz NHRNDQYJRLZPOX-AEFFLSMTSA-N 0 0 341.411 3.863 50 5 EHBARN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000373888296 564122077 /nfs/dbraw/zinc/12/20/77/564122077.db2.gz UHHXYIRBDJGEBP-YEORSEQZSA-N 0 0 332.306 3.549 50 5 EHBARN Cc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000002441007 564135218 /nfs/dbraw/zinc/13/52/18/564135218.db2.gz IJCNRUQYVSJYTR-UHFFFAOYSA-N 0 0 340.408 3.991 50 5 EHBARN Cc1c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cccc1[N+](=O)[O-] ZINC000007956623 564136426 /nfs/dbraw/zinc/13/64/26/564136426.db2.gz FNCXUDDTQWSWLI-GFCCVEGCSA-N 0 0 346.770 3.746 50 5 EHBARN O=[N+]([O-])c1ccc(-c2noc(CCCOc3ccccc3)n2)cc1 ZINC000002838973 564152801 /nfs/dbraw/zinc/15/28/01/564152801.db2.gz XZEYWWKWPWTEIW-UHFFFAOYSA-N 0 0 325.324 3.656 50 5 EHBARN Cc1cc(OCCOc2ccc([N+](=O)[O-])cc2C=O)ccc1Cl ZINC000002875613 564152888 /nfs/dbraw/zinc/15/28/88/564152888.db2.gz ZAFOWXGEVFEXAY-UHFFFAOYSA-N 0 0 335.743 3.827 50 5 EHBARN Cc1nc(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cs1 ZINC000029548086 564153708 /nfs/dbraw/zinc/15/37/08/564153708.db2.gz VNVAKKPPIXBQEE-UHFFFAOYSA-N 0 0 347.421 3.547 50 5 EHBARN O=C(NCCSCc1ccco1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002960411 564153815 /nfs/dbraw/zinc/15/38/15/564153815.db2.gz IWBKYKTYNCURFG-UHFFFAOYSA-N 0 0 340.788 3.504 50 5 EHBARN CC(=O)COc1cc(O)c2c(c1)oc1ccc3ccccc3c1c2=O ZINC000008554971 564165659 /nfs/dbraw/zinc/16/56/59/564165659.db2.gz STROJZNHROOPIQ-UHFFFAOYSA-N 0 0 334.327 3.773 50 5 EHBARN CC(C)Nc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-] ZINC000008586824 564165868 /nfs/dbraw/zinc/16/58/68/564165868.db2.gz RWJCHRPKPWHVHG-UHFFFAOYSA-N 0 0 325.328 3.527 50 5 EHBARN Cn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccncc1 ZINC000008704096 564166410 /nfs/dbraw/zinc/16/64/10/564166410.db2.gz UPOVZXKGIXBIGD-UHFFFAOYSA-N 0 0 347.787 3.590 50 5 EHBARN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008735837 564167130 /nfs/dbraw/zinc/16/71/30/564167130.db2.gz AVORPJLQVWBPCH-SECBINFHSA-N 0 0 338.722 3.793 50 5 EHBARN C[C@H](C1CC1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(CO)cc1 ZINC000039931598 564167693 /nfs/dbraw/zinc/16/76/93/564167693.db2.gz PSJIKZAFRGYKBH-CYBMUJFWSA-N 0 0 340.379 3.532 50 5 EHBARN Cc1csc(C2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)n1 ZINC000069485400 564169788 /nfs/dbraw/zinc/16/97/88/564169788.db2.gz XQPPFOQFXCYOKN-UHFFFAOYSA-N 0 0 345.424 3.688 50 5 EHBARN Cc1ccccc1CSCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000002815674 1129837379 /nfs/dbraw/zinc/83/73/79/1129837379.db2.gz WRGDXGYRJXVBPD-UHFFFAOYSA-N 0 0 344.436 3.875 50 5 EHBARN CCC(=O)Nc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000005710926 1137321064 /nfs/dbraw/zinc/32/10/64/1137321064.db2.gz MSLSVQNFTUXMBM-MDZDMXLPSA-N 0 0 339.351 3.595 50 5 EHBARN O=[N+]([O-])c1ccccc1N1CCC(O)(c2cccc3cnccc32)CC1 ZINC000952963414 1137483644 /nfs/dbraw/zinc/48/36/44/1137483644.db2.gz INNHWHAKQSKOHS-UHFFFAOYSA-N 0 0 349.390 3.631 50 5 EHBARN Cc1nn(CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c(C)c1[N+](=O)[O-] ZINC000053161027 214168108 /nfs/dbraw/zinc/16/81/08/214168108.db2.gz VANDMKOREHXYCS-UHFFFAOYSA-N 0 0 347.374 3.862 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000055734189 214339566 /nfs/dbraw/zinc/33/95/66/214339566.db2.gz ASLZSUBKOQRSBF-OAHLLOKOSA-N 0 0 346.770 3.674 50 5 EHBARN COc1ccc(CCNc2cc(Cl)ccc2[N+](=O)[O-])cc1OC ZINC000004503543 210206013 /nfs/dbraw/zinc/20/60/13/210206013.db2.gz ADMZASRZAQBSDZ-UHFFFAOYSA-N 0 0 336.775 3.920 50 5 EHBARN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1 ZINC000064306935 214781995 /nfs/dbraw/zinc/78/19/95/214781995.db2.gz LFVSBDHFKNTULF-UHFFFAOYSA-N 0 0 348.314 3.539 50 5 EHBARN COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 ZINC000004342090 210175334 /nfs/dbraw/zinc/17/53/34/210175334.db2.gz YCNPTGHYGNXOKC-RMKNXTFCSA-N 0 0 342.351 3.572 50 5 EHBARN 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O=[N+]([O-])c1cccnc1NCc1cccc(COCc2ccco2)c1 ZINC000032923675 563825256 /nfs/dbraw/zinc/82/52/56/563825256.db2.gz LNOOQSSSWOZREP-UHFFFAOYSA-N 0 0 339.351 3.912 50 5 EHBARN Cc1noc(C)c1CN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000043331092 563864165 /nfs/dbraw/zinc/86/41/65/563864165.db2.gz YIBBUYGDLPHSLZ-UHFFFAOYSA-N 0 0 338.751 3.517 50 5 EHBARN Cc1c(NC(=O)NCCSc2ccccc2)cccc1[N+](=O)[O-] ZINC000043347787 563864411 /nfs/dbraw/zinc/86/44/11/563864411.db2.gz SIOQXLYQTFWRAW-UHFFFAOYSA-N 0 0 331.397 3.817 50 5 EHBARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000032970397 563920094 /nfs/dbraw/zinc/92/00/94/563920094.db2.gz CROVFXHGWAOFRB-LRDDRELGSA-N 0 0 328.368 3.512 50 5 EHBARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000013847430 563935384 /nfs/dbraw/zinc/93/53/84/563935384.db2.gz IZPSPHUWOBYZNY-CQSZACIVSA-N 0 0 348.330 3.539 50 5 EHBARN C[S@@](=O)Cc1ccc(Cl)c(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000096427541 563952281 /nfs/dbraw/zinc/95/22/81/563952281.db2.gz 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O=C(Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000005672986 564017632 /nfs/dbraw/zinc/01/76/32/564017632.db2.gz MYYHPANMXNQLMU-UHFFFAOYSA-N 0 0 339.120 3.749 50 5 EHBARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000045050498 564028087 /nfs/dbraw/zinc/02/80/87/564028087.db2.gz YTDZCZTXQJSMEP-GASCZTMLSA-N 0 0 345.443 3.703 50 5 EHBARN CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000008327142 564035314 /nfs/dbraw/zinc/03/53/14/564035314.db2.gz BSDASJWMTFIWEI-NSHDSACASA-N 0 0 342.351 3.569 50 5 EHBARN CC(C)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000005909559 564056854 /nfs/dbraw/zinc/05/68/54/564056854.db2.gz NNPVLAXEMXNNCM-UHFFFAOYSA-N 0 0 329.312 3.558 50 5 EHBARN Cc1ccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])nc1 ZINC000012557690 564059374 /nfs/dbraw/zinc/05/93/74/564059374.db2.gz SGDARRYOFYZDIQ-UHFFFAOYSA-N 0 0 342.233 3.969 50 5 EHBARN Cc1c(COC(=O)[C@@H]2C[C@H]2c2ccccc2F)cccc1[N+](=O)[O-] ZINC000084041603 564065887 /nfs/dbraw/zinc/06/58/87/564065887.db2.gz GBAOXHLCKHDLIR-LSDHHAIUSA-N 0 0 329.327 3.889 50 5 EHBARN COc1ccc(F)cc1C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000006062098 564073316 /nfs/dbraw/zinc/07/33/16/564073316.db2.gz OUJBMDYRIMTJKC-UHFFFAOYSA-N 0 0 339.706 3.658 50 5 EHBARN Cc1cc2s/c(=N/C(=O)c3cccc([N+](=O)[O-])c3)n(C)c2c(C)c1 ZINC000006415070 564085608 /nfs/dbraw/zinc/08/56/08/564085608.db2.gz IZACDEVWPIQOGD-ISLYRVAYSA-N 0 0 341.392 3.506 50 5 EHBARN CCOC(=O)c1ccnc(Oc2cnc3ccccc3c2)c1[N+](=O)[O-] ZINC000191860927 564089366 /nfs/dbraw/zinc/08/93/66/564089366.db2.gz JOIVSSKBXRAENK-UHFFFAOYSA-N 0 0 339.307 3.507 50 5 EHBARN Cc1ccc(O[C@@H](C)C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000026943049 564090906 /nfs/dbraw/zinc/09/09/06/564090906.db2.gz POTRFBFIGHFJLC-GJZGRUSLSA-N 0 0 342.395 3.890 50 5 EHBARN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000006977707 564102572 /nfs/dbraw/zinc/10/25/72/564102572.db2.gz XIHCGLJUOIRZSJ-SFHVURJKSA-N 0 0 333.347 3.509 50 5 EHBARN COc1c(C)c2cc3c(cc2nc1-c1cccc([N+](=O)[O-])c1)OCO3 ZINC000065278323 564104070 /nfs/dbraw/zinc/10/40/70/564104070.db2.gz VCFBTZZAVHMABV-UHFFFAOYSA-N 0 0 338.319 3.856 50 5 EHBARN CC(C)N=c1ccccn1C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000252474860 564118961 /nfs/dbraw/zinc/11/89/61/564118961.db2.gz NPEYCASCWZSLPJ-NRUYUVLNSA-N 0 0 345.786 3.712 50 5 EHBARN Cc1ccsc1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000027499567 564125378 /nfs/dbraw/zinc/12/53/78/564125378.db2.gz SHESUJBFRCVAOO-WQLSENKSSA-N 0 0 328.349 3.618 50 5 EHBARN Cc1oc2ncnc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2c1C ZINC000225399996 564134408 /nfs/dbraw/zinc/13/44/08/564134408.db2.gz GFUZJYXOUWJXBL-UHFFFAOYSA-N 0 0 346.730 3.654 50 5 EHBARN Cc1cc([N+](=O)[O-])cn(Cc2csc(C3CCCCC3)n2)c1=O ZINC000155829491 564141676 /nfs/dbraw/zinc/14/16/76/564141676.db2.gz DRULNIBZLGVXCP-UHFFFAOYSA-N 0 0 333.413 3.617 50 5 EHBARN COc1cc(Nc2ccc(Br)cc2[N+](=O)[O-])ccc1O ZINC000095802929 564141856 /nfs/dbraw/zinc/14/18/56/564141856.db2.gz 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ZINC000069631081 564171079 /nfs/dbraw/zinc/17/10/79/564171079.db2.gz GUOVLCUATQZCGX-UHFFFAOYSA-N 0 0 329.337 3.872 50 5 EHBARN COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000858561 1044026222 /nfs/dbraw/zinc/02/62/22/1044026222.db2.gz YUBCYNQDQBBBMA-YCRREMRBSA-N 0 0 332.743 3.909 50 5 EHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1OC(F)F ZINC000097674604 219045820 /nfs/dbraw/zinc/04/58/20/219045820.db2.gz CDWBOMZXMVSBIB-YFHOEESVSA-N 0 0 334.278 3.848 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000053748685 214196954 /nfs/dbraw/zinc/19/69/54/214196954.db2.gz BOATYTNNBKHWGT-INIZCTEOSA-N 0 0 327.340 3.669 50 5 EHBARN COc1cc(OC)c(OC)cc1CNc1ccc([N+](=O)[O-])cc1C ZINC000004685497 210248189 /nfs/dbraw/zinc/24/81/89/210248189.db2.gz RBQRLMRRFAOAFQ-UHFFFAOYSA-N 0 0 332.356 3.541 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000004670437 210242537 /nfs/dbraw/zinc/24/25/37/210242537.db2.gz HDOQNRPIGKOHDB-UHFFFAOYSA-N 0 0 339.666 3.548 50 5 EHBARN O=[N+]([O-])c1ccc(NCCOc2ccccc2F)c2ncccc12 ZINC000004132230 210128398 /nfs/dbraw/zinc/12/83/98/210128398.db2.gz VVXCLIDJZKGTEI-UHFFFAOYSA-N 0 0 327.315 3.773 50 5 EHBARN COc1ccc(Cl)cc1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000004118680 210124354 /nfs/dbraw/zinc/12/43/54/210124354.db2.gz WQVNHWKTLCIEBZ-UHFFFAOYSA-N 0 0 330.731 3.944 50 5 EHBARN CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004041000 210106564 /nfs/dbraw/zinc/10/65/64/210106564.db2.gz DFIBMBGRYHLEQP-IZZDOVSWSA-N 0 0 342.351 3.654 50 5 aggregator EHBARN CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000003957290 210095417 /nfs/dbraw/zinc/09/54/17/210095417.db2.gz HQRCBSXXHDWQKJ-UHFFFAOYSA-N 0 0 328.368 3.910 50 5 EHBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(F)c1 ZINC000003902716 210089193 /nfs/dbraw/zinc/08/91/93/210089193.db2.gz WUBVOKGXZIFEJZ-UHFFFAOYSA-N 0 0 346.361 3.933 50 5 aggregator EHBARN Nc1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)s1 ZINC000003355185 210017120 /nfs/dbraw/zinc/01/71/20/210017120.db2.gz ZYIAACATKPEAMD-UHFFFAOYSA-N 0 0 341.417 3.672 50 5 EHBARN Cc1ccc(C(=O)NCCSCc2ccccc2)cc1[N+](=O)[O-] ZINC000002983952 209949789 /nfs/dbraw/zinc/94/97/89/209949789.db2.gz YKMVAGDTRRIWPF-UHFFFAOYSA-N 0 0 330.409 3.566 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000001927191 209806910 /nfs/dbraw/zinc/80/69/10/209806910.db2.gz ZDAHPGZJBWPUIL-VMPITWQZSA-N 0 0 332.743 3.909 50 5 EHBARN CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000040118968 213269271 /nfs/dbraw/zinc/26/92/71/213269271.db2.gz DVQWTHZEVAZKGS-UHFFFAOYSA-N 0 0 325.777 3.828 50 5 EHBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2oc(C3CC3)nc2c1 ZINC000033213877 212907299 /nfs/dbraw/zinc/90/72/99/212907299.db2.gz CKPZEURFWMZEIE-UHFFFAOYSA-N 0 0 337.335 3.795 50 5 EHBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1 ZINC000032674552 212826006 /nfs/dbraw/zinc/82/60/06/212826006.db2.gz SHYUAXLVRDYQDM-CYBMUJFWSA-N 0 0 330.409 3.734 50 5 EHBARN Cc1cc(C)n(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)n1 ZINC000000261013 209508514 /nfs/dbraw/zinc/50/85/14/209508514.db2.gz QTMKIWPNSQSGBK-UHFFFAOYSA-N 0 0 335.772 3.965 50 5 EHBARN CCSc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OC)cc1 ZINC000000092650 209415368 /nfs/dbraw/zinc/41/53/68/209415368.db2.gz VGRWDNRBRSKRCM-UHFFFAOYSA-N 0 0 332.381 3.968 50 5 EHBARN O=[N+]([O-])c1c(NCCOc2ccc3ccccc3c2)nc2ccccn21 ZINC000026708437 212532064 /nfs/dbraw/zinc/53/20/64/212532064.db2.gz SPQIYKBXDKOCFZ-UHFFFAOYSA-N 0 0 348.362 3.887 50 5 EHBARN O=C1Nc2ccccc2[C@H]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000023245734 212363121 /nfs/dbraw/zinc/36/31/21/212363121.db2.gz CXZOYQBEFUSRLV-GFCCVEGCSA-N 0 0 331.759 3.786 50 5 EHBARN O=[N+]([O-])c1c(Oc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccn21 ZINC000021673666 212238865 /nfs/dbraw/zinc/23/88/65/212238865.db2.gz NYHCTKPTGFQILZ-UHFFFAOYSA-N 0 0 334.675 3.596 50 5 EHBARN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc2ncoc2c1 ZINC000242140822 243009711 /nfs/dbraw/zinc/00/97/11/243009711.db2.gz WPMWJQWGEUKTSB-UHFFFAOYSA-N 0 0 331.715 3.950 50 5 EHBARN CSc1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000017972265 211976072 /nfs/dbraw/zinc/97/60/72/211976072.db2.gz SCQBCZREHWPXTQ-UHFFFAOYSA-N 0 0 330.409 3.518 50 5 EHBARN CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000011229233 211209261 /nfs/dbraw/zinc/20/92/61/211209261.db2.gz QOOQJWMXFDYTOX-SFHVURJKSA-N 0 0 346.358 3.626 50 5 EHBARN Cc1sc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000008989740 211027983 /nfs/dbraw/zinc/02/79/83/211027983.db2.gz VHRYZRUBQILISU-UHFFFAOYSA-N 0 0 347.421 3.802 50 5 EHBARN Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] ZINC000008720643 210991345 /nfs/dbraw/zinc/99/13/45/210991345.db2.gz SFGXACSQVGRSJF-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN COCc1c(Cl)cccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000095414305 218352485 /nfs/dbraw/zinc/35/24/85/218352485.db2.gz CDUFOQXNKAECQY-UHFFFAOYSA-N 0 0 334.759 3.576 50 5 EHBARN O=C1OC(c2ccccc2)=NC1=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000008381709 210944745 /nfs/dbraw/zinc/94/47/45/210944745.db2.gz KPXYBDVBPAQTLC-ZROIWOOFSA-N 0 0 343.726 3.505 50 5 EHBARN CCSc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005065596 210382396 /nfs/dbraw/zinc/38/23/96/210382396.db2.gz XGCDIUIZFRYRLV-UHFFFAOYSA-N 0 0 338.410 3.508 50 5 EHBARN CC(C)(C)OC(=O)N1Cc2cc(Br)c([N+](=O)[O-])cc2C1 ZINC000097463350 219025278 /nfs/dbraw/zinc/02/52/78/219025278.db2.gz XWPGGVJFQIZPPI-UHFFFAOYSA-N 0 0 343.177 3.608 50 5 EHBARN O=[N+]([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)Cc1ccccc1 ZINC000006927477 258052402 /nfs/dbraw/zinc/05/24/02/258052402.db2.gz JFZACJHNBXTAOP-UHFFFAOYSA-N 0 0 345.298 3.588 50 5 EHBARN Cc1cccc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000055543315 132195865 /nfs/dbraw/zinc/19/58/65/132195865.db2.gz AEHLQHIGYPNBIT-UHFFFAOYSA-N 0 0 325.412 3.534 50 5 EHBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000175298752 563546276 /nfs/dbraw/zinc/54/62/76/563546276.db2.gz PIOCMFXHHZRSFT-LBPRGKRZSA-N 0 0 349.778 3.730 50 5 EHBARN Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000013534571 563700442 /nfs/dbraw/zinc/70/04/42/563700442.db2.gz GIOVYRFIFRUGOD-OKILXGFUSA-N 0 0 336.435 3.599 50 5 EHBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2[nH]1 ZINC000032738277 563723011 /nfs/dbraw/zinc/72/30/11/563723011.db2.gz NSBULPXVOGJSLG-VIFPVBQESA-N 0 0 344.758 3.616 50 5 EHBARN C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000032837443 563759761 /nfs/dbraw/zinc/75/97/61/563759761.db2.gz SFMKUKAMQPUELA-IAQYHMDHSA-N 0 0 329.356 3.975 50 5 EHBARN Cc1cc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)ccc1[N+](=O)[O-] ZINC000072313700 563929686 /nfs/dbraw/zinc/92/96/86/563929686.db2.gz NGFRONMOMXFAIT-UHFFFAOYSA-N 0 0 329.312 3.681 50 5 EHBARN Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000000038498 563967490 /nfs/dbraw/zinc/96/74/90/563967490.db2.gz URWAKAJZGTXOLP-UHFFFAOYSA-N 0 0 336.141 3.885 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCc1ccc(Cl)cc1 ZINC000000039204 563967527 /nfs/dbraw/zinc/96/75/27/563967527.db2.gz CPXRYCPQATWSTH-RMKNXTFCSA-N 0 0 330.771 3.620 50 5 EHBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 ZINC000000103072 563982151 /nfs/dbraw/zinc/98/21/51/563982151.db2.gz BMKRICQXDFPJSZ-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN O=c1c2ccccc2nc2c3ccccc3c(NCc3ccco3)nn12 ZINC000000102495 563984096 /nfs/dbraw/zinc/98/40/96/563984096.db2.gz VXGMIARAVYDOLC-UHFFFAOYSA-N 0 0 342.358 3.601 50 5 EHBARN O=C(c1ccc(Cl)cc1)n1ccc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000000125359 563986797 /nfs/dbraw/zinc/98/67/97/563986797.db2.gz XDFQNTPCHBCWEH-UHFFFAOYSA-N 0 0 327.727 3.800 50 5 EHBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)cc1F ZINC000000180780 563987843 /nfs/dbraw/zinc/98/78/43/563987843.db2.gz YKSMAUKIJSLBLZ-OAHLLOKOSA-N 0 0 336.319 3.652 50 5 EHBARN O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c2c1CCC2 ZINC000000237763 563989033 /nfs/dbraw/zinc/98/90/33/563989033.db2.gz CNYZWKDZRIARLG-UHFFFAOYSA-N 0 0 337.331 3.769 50 5 EHBARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000269551 563989929 /nfs/dbraw/zinc/98/99/29/563989929.db2.gz DEPWQIKXPWIFQD-AWEZNQCLSA-N 0 0 331.368 3.739 50 5 EHBARN Cc1cc(O)ccc1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000000344990 563991456 /nfs/dbraw/zinc/99/14/56/563991456.db2.gz LJROVOVBQWMCIZ-UHFFFAOYSA-N 0 0 348.314 3.563 50 5 EHBARN O=[N+]([O-])c1ncccc1Oc1nc(-c2ccncc2)nc2ccccc21 ZINC000024040877 563991531 /nfs/dbraw/zinc/99/15/31/563991531.db2.gz DJSJYSNAXUCHQZ-UHFFFAOYSA-N 0 0 345.318 3.787 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000005104356 563994318 /nfs/dbraw/zinc/99/43/18/563994318.db2.gz VLYUMTFFNDECRN-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN O=C(Nc1cc2cc(Cl)cc([N+](=O)[O-])c2oc1=O)c1ccccc1 ZINC000000447896 563999548 /nfs/dbraw/zinc/99/95/48/563999548.db2.gz OPBOYUBYABXSIO-UHFFFAOYSA-N 0 0 344.710 3.607 50 5 EHBARN O=[N+]([O-])c1cccc(Nc2ncnc3c2cnn3Cc2ccccc2)c1 ZINC000005348098 564002990 /nfs/dbraw/zinc/00/29/90/564002990.db2.gz ANZHOSSTNQURIC-UHFFFAOYSA-N 0 0 346.350 3.526 50 5 EHBARN CSc1ccc([N+](=O)[O-])c(C(=O)NCCCc2ccccc2)c1 ZINC000017298611 564011464 /nfs/dbraw/zinc/01/14/64/564011464.db2.gz OKASXKZNNQXGNJ-UHFFFAOYSA-N 0 0 330.409 3.679 50 5 EHBARN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000005698621 564019106 /nfs/dbraw/zinc/01/91/06/564019106.db2.gz MCWINSKDJPLAFQ-UHFFFAOYSA-N 0 0 349.799 3.683 50 5 EHBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(OC(F)(F)F)cc1 ZINC000048354491 564031370 /nfs/dbraw/zinc/03/13/70/564031370.db2.gz KZVHOHOIMZSFNX-MRVPVSSYSA-N 0 0 344.245 3.577 50 5 EHBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc(-c2cccs2)no1 ZINC000024862716 564034191 /nfs/dbraw/zinc/03/41/91/564034191.db2.gz UZBFINTZMJRSCR-LLVKDONJSA-N 0 0 344.396 3.899 50 5 EHBARN CC(C)N(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000025174578 564053723 /nfs/dbraw/zinc/05/37/23/564053723.db2.gz KKVKHTAMUDHJPZ-UHFFFAOYSA-N 0 0 341.411 3.834 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1OCc1csc(-c2ccco2)n1 ZINC000025453518 564054403 /nfs/dbraw/zinc/05/44/03/564054403.db2.gz YUKLTIXAJBRVAK-UHFFFAOYSA-N 0 0 332.337 3.899 50 5 EHBARN O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)nc1 ZINC000005927167 564057043 /nfs/dbraw/zinc/05/70/43/564057043.db2.gz BCVQZEZAEHNPQQ-UHFFFAOYSA-N 0 0 333.760 3.580 50 5 EHBARN Cc1occc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2F)n1C ZINC000042097179 564058316 /nfs/dbraw/zinc/05/83/16/564058316.db2.gz ZDQBQLDNIYFAGG-UHFFFAOYSA-N 0 0 334.332 3.582 50 5 EHBARN Cc1cccc(C(=O)NCCCn2ccc3ccccc32)c1[N+](=O)[O-] ZINC000012555855 564059334 /nfs/dbraw/zinc/05/93/34/564059334.db2.gz VUQOQLYYWKBZMF-UHFFFAOYSA-N 0 0 337.379 3.678 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000001396634 564064428 /nfs/dbraw/zinc/06/44/28/564064428.db2.gz IIGKEKCZDUHBDW-UHFFFAOYSA-N 0 0 330.649 3.893 50 5 EHBARN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000025912619 564066499 /nfs/dbraw/zinc/06/64/99/564066499.db2.gz ISQWEKLNYYNPLR-UHFFFAOYSA-N 0 0 338.367 3.667 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NCc1nnc(-c2ccccc2)s1 ZINC000120984069 564068588 /nfs/dbraw/zinc/06/85/88/564068588.db2.gz MSXRGPOCLKZBLF-UHFFFAOYSA-N 0 0 342.380 3.734 50 5 EHBARN Cc1ncc(Cl)c(C(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000084808854 564070338 /nfs/dbraw/zinc/07/03/38/564070338.db2.gz JUBSCGHXBUYWSF-SECBINFHSA-N 0 0 335.747 3.573 50 5 EHBARN Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-] ZINC000012902569 564077705 /nfs/dbraw/zinc/07/77/05/564077705.db2.gz CHHKRBSENRNAJW-UHFFFAOYSA-N 0 0 331.397 3.881 50 5 EHBARN C[C@H]1CCc2c(sc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc(=O)c23)C1 ZINC000006590461 564092488 /nfs/dbraw/zinc/09/24/88/564092488.db2.gz XWSKYCMXYZPYME-VIFPVBQESA-N 0 0 341.392 3.685 50 5 EHBARN CON=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000169690661 564098596 /nfs/dbraw/zinc/09/85/96/564098596.db2.gz NPMCVFRRTRDHRA-UHFFFAOYSA-N 0 0 347.283 3.746 50 5 EHBARN CC(C)C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000007511020 564109503 /nfs/dbraw/zinc/10/95/03/564109503.db2.gz DOMZTSOOZHZAEL-GOSISDBHSA-N 0 0 342.395 3.877 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@H](C)c1ccccc1 ZINC000017068056 564116297 /nfs/dbraw/zinc/11/62/97/564116297.db2.gz PHBJTRPRKSXCIC-LLVKDONJSA-N 0 0 331.397 3.651 50 5 EHBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)OCCOc1ccccc1 ZINC000002156368 564119514 /nfs/dbraw/zinc/11/95/14/564119514.db2.gz NFFNIGCACRMGTH-UHFFFAOYSA-N 0 0 336.731 3.876 50 5 EHBARN C[S@](=O)Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000195559041 564123841 /nfs/dbraw/zinc/12/38/41/564123841.db2.gz CZPKISKAGNBZKO-QFIPXVFZSA-N 0 0 338.816 3.739 50 5 EHBARN Cc1cc(C(=O)CCC(=O)OCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000013000843 564135843 /nfs/dbraw/zinc/13/58/43/564135843.db2.gz HICVGVOGUBIEPL-UHFFFAOYSA-N 0 0 347.392 3.979 50 5 EHBARN Cc1c(C(=O)NC(C)C)nn(C(C)C)c1Oc1ccccc1[N+](=O)[O-] ZINC000096203736 564146018 /nfs/dbraw/zinc/14/60/18/564146018.db2.gz GHSYKZRSILMYMY-UHFFFAOYSA-N 0 0 346.387 3.611 50 5 EHBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])s2)N3)C1 ZINC000002489334 564149817 /nfs/dbraw/zinc/14/98/17/564149817.db2.gz ROPXMBNDHPMQDE-UHLUBPPHSA-N 0 0 349.437 3.697 50 5 EHBARN CCCCC[C@@](O)(C[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C ZINC000003011988 564154341 /nfs/dbraw/zinc/15/43/41/564154341.db2.gz MRTFCCABPVSYJF-ZDUSSCGKSA-N 0 0 325.342 3.575 50 5 EHBARN CC(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003101380 564155162 /nfs/dbraw/zinc/15/51/62/564155162.db2.gz KRODDNLFJIWFRN-UHFFFAOYSA-N 0 0 343.339 3.556 50 5 EHBARN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000058833633 564159766 /nfs/dbraw/zinc/15/97/66/564159766.db2.gz CGKLMJDBKMBRBN-SWLSCSKDSA-N 0 0 327.384 3.871 50 5 EHBARN Cc1nc2ccccc2c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000008511688 564165522 /nfs/dbraw/zinc/16/55/22/564165522.db2.gz ZIUYLCRUYGVSCF-UHFFFAOYSA-N 0 0 339.376 3.821 50 5 EHBARN COc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000041156448 564173594 /nfs/dbraw/zinc/17/35/94/564173594.db2.gz DXCOFMLAXGZNMH-UHFFFAOYSA-N 0 0 326.308 3.910 50 5 EHBARN COc1ccc(COc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000436205569 1031140533 /nfs/dbraw/zinc/14/05/33/1031140533.db2.gz DTTZWICFQMOMAY-UHFFFAOYSA-N 0 0 338.157 3.945 50 5 EHBARN O=C(Nc1cccc2nsnc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000004727707 210261323 /nfs/dbraw/zinc/26/13/23/210261323.db2.gz ZBZPEYQRGPCKDS-UHFFFAOYSA-N 0 0 334.744 3.505 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000053748684 214196437 /nfs/dbraw/zinc/19/64/37/214196437.db2.gz BOATYTNNBKHWGT-MRXNPFEDSA-N 0 0 327.340 3.669 50 5 EHBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccccn1 ZINC000055514595 214327444 /nfs/dbraw/zinc/32/74/44/214327444.db2.gz JKXTYVCENGNJNO-OAHLLOKOSA-N 0 0 331.759 3.621 50 5 EHBARN CC1=C(C)[C@@H](Nc2ccccc2[N+](=O)[O-])N(Cc2ccccc2)C1=O ZINC000004663323 210240140 /nfs/dbraw/zinc/24/01/40/210240140.db2.gz LLHPYNDRLSDPDV-SFHVURJKSA-N 0 0 337.379 3.712 50 5 EHBARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncccc2[N+](=O)[O-])c1C ZINC000058415721 214579289 /nfs/dbraw/zinc/57/92/89/214579289.db2.gz FXWXCLLFBWRQBR-LLVKDONJSA-N 0 0 347.396 3.501 50 5 EHBARN Nc1nn2c(nc(-c3ccccc3)cc2-c2ccccc2)c1[N+](=O)[O-] ZINC000004597955 210229536 /nfs/dbraw/zinc/22/95/36/210229536.db2.gz BRBWPTPBALQJSS-UHFFFAOYSA-N 0 0 331.335 3.554 50 5 EHBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004525575 210213224 /nfs/dbraw/zinc/21/32/24/210213224.db2.gz UOGILMHGDBCCSU-BJOHPYRUSA-N 0 0 343.408 3.635 50 5 EHBARN CN(C)c1ccc(Nc2c3ccccc3oc(=O)c2[N+](=O)[O-])cc1 ZINC000004132033 210127531 /nfs/dbraw/zinc/12/75/31/210127531.db2.gz ATFSMNNRUVJXKS-UHFFFAOYSA-N 0 0 325.324 3.511 50 5 EHBARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000004070382 210112233 /nfs/dbraw/zinc/11/22/33/210112233.db2.gz AOJIYVORIOEUPE-UHFFFAOYSA-N 0 0 344.327 3.505 50 5 EHBARN COc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC000004053773 210108751 /nfs/dbraw/zinc/10/87/51/210108751.db2.gz YMCMXOVZSVFCCI-UHFFFAOYSA-N 0 0 337.719 3.777 50 5 EHBARN COc1c([N+](=O)[O-])cc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004031790 210104515 /nfs/dbraw/zinc/10/45/15/210104515.db2.gz PCEIWPHNBSXISB-UHFFFAOYSA-N 0 0 332.356 3.979 50 5 EHBARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])o1 ZINC000004034027 210104554 /nfs/dbraw/zinc/10/45/54/210104554.db2.gz AMPVLNVMXMXDGL-UHFFFAOYSA-N 0 0 348.318 3.983 50 5 EHBARN CCCc1ccc(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000003958844 210095358 /nfs/dbraw/zinc/09/53/58/210095358.db2.gz KYBHXWGUXOBBSL-UHFFFAOYSA-N 0 0 328.368 3.873 50 5 EHBARN Cc1ccc(Cl)cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000003445556 210041995 /nfs/dbraw/zinc/04/19/95/210041995.db2.gz KPWVMXHSTHLMNB-UHFFFAOYSA-N 0 0 338.722 3.713 50 5 EHBARN Cc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000002945616 209945456 /nfs/dbraw/zinc/94/54/56/209945456.db2.gz PYYXXUZERAUMMJ-NVNXTCNLSA-N 0 0 342.738 3.901 50 5 EHBARN COc1ccc(NC(=O)CCSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002845072 209926929 /nfs/dbraw/zinc/92/69/29/209926929.db2.gz ZQGYWUXZQCEYEW-UHFFFAOYSA-N 0 0 332.381 3.724 50 5 EHBARN CCCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1 ZINC000002348000 209842537 /nfs/dbraw/zinc/84/25/37/209842537.db2.gz MMFUEOQCNDBYDD-UHFFFAOYSA-N 0 0 346.386 3.504 50 5 EHBARN CCCCn1c2ncn(CC(C)C)c(=O)c2c2nc3ccccc3nc21 ZINC000002250061 209834003 /nfs/dbraw/zinc/83/40/03/209834003.db2.gz MWLAQVDUYIUGKE-UHFFFAOYSA-N 0 0 349.438 3.751 50 5 EHBARN Cc1ccc(C)c(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000000478010 209627125 /nfs/dbraw/zinc/62/71/25/209627125.db2.gz KEJJUMMHRVGXPJ-CXUHLZMHSA-N 0 0 336.347 3.865 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000450182 209607832 /nfs/dbraw/zinc/60/78/32/209607832.db2.gz OOMKRNNTBQIYTI-UHFFFAOYSA-N 0 0 341.150 3.919 50 5 EHBARN Cc1cc(Nc2cccc3ccccc32)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000036062617 213059791 /nfs/dbraw/zinc/05/97/91/213059791.db2.gz GHLVABHUJZGUFY-UHFFFAOYSA-N 0 0 346.350 3.776 50 5 EHBARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000032777333 212841101 /nfs/dbraw/zinc/84/11/01/212841101.db2.gz CWOCPJFTQWINAC-PWSUYJOCSA-N 0 0 349.412 3.523 50 5 EHBARN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccccc1Cl ZINC000000070897 209401023 /nfs/dbraw/zinc/40/10/23/209401023.db2.gz WNVXPGJGTXGANB-NTEUORMPSA-N 0 0 328.711 3.593 50 5 EHBARN O=[N+]([O-])c1c(Sc2nc(-c3ccccc3)c[nH]2)nc2ccccn21 ZINC000022957051 212340054 /nfs/dbraw/zinc/34/00/54/212340054.db2.gz IFUAUNQGMVBUET-UHFFFAOYSA-N 0 0 337.364 3.784 50 5 EHBARN CCOc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000021137177 212210801 /nfs/dbraw/zinc/21/08/01/212210801.db2.gz CLJKEKIDMBLLOH-UHFFFAOYSA-N 0 0 337.335 3.794 50 5 EHBARN CCCc1noc(-c2ccc(NCc3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000020898025 212183587 /nfs/dbraw/zinc/18/35/87/212183587.db2.gz VMDXZQJRGWDHGF-UHFFFAOYSA-N 0 0 339.355 3.604 50 5 EHBARN Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000009764311 211124327 /nfs/dbraw/zinc/12/43/27/211124327.db2.gz JTXTVIRYCKLINP-UHFFFAOYSA-N 0 0 340.335 3.932 50 5 EHBARN CC[C@@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000095409042 218345373 /nfs/dbraw/zinc/34/53/73/218345373.db2.gz LMJCYRHFOYIJDK-CYBMUJFWSA-N 0 0 348.428 3.737 50 5 EHBARN CC[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000095409041 218345637 /nfs/dbraw/zinc/34/56/37/218345637.db2.gz LMJCYRHFOYIJDK-ZDUSSCGKSA-N 0 0 348.428 3.737 50 5 EHBARN O=[N+]([O-])c1ccc(-c2ncn(CCSc3ccccc3)n2)cc1 ZINC000095455414 218398620 /nfs/dbraw/zinc/39/86/20/218398620.db2.gz SVQCPAUSLROXJI-UHFFFAOYSA-N 0 0 326.381 3.646 50 5 EHBARN C[C@@H](OC(=O)c1c2ccccc2cc2ccccc21)C(=O)NC1CC1 ZINC000005743758 210529028 /nfs/dbraw/zinc/52/90/28/210529028.db2.gz AEHLRLCSNHXCOC-CYBMUJFWSA-N 0 0 333.387 3.817 50 5 EHBARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000005072196 210383116 /nfs/dbraw/zinc/38/31/16/210383116.db2.gz ZBUPLUHXYBZSDD-JYRVWZFOSA-N 0 0 346.701 3.732 50 5 EHBARN COc1ccc(NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000004999048 210356209 /nfs/dbraw/zinc/35/62/09/210356209.db2.gz CCUMHCXHJOZMHW-UHFFFAOYSA-N 0 0 347.396 3.729 50 5 EHBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c32)C(=O)N1CCc1ccccc1 ZINC000004892733 210314488 /nfs/dbraw/zinc/31/44/88/210314488.db2.gz NPCRAOIDKHMFKI-UHFFFAOYSA-N 0 0 346.342 3.587 50 5 EHBARN COc1ccc(C(=O)Nc2cccc3ccc(C)nc32)cc1[N+](=O)[O-] ZINC000004842979 210295971 /nfs/dbraw/zinc/29/59/71/210295971.db2.gz ZNTCIVDKIQYCMN-UHFFFAOYSA-N 0 0 337.335 3.712 50 5 EHBARN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Cl ZINC000004838169 210293586 /nfs/dbraw/zinc/29/35/86/210293586.db2.gz WWQVKQMRIRLDHP-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN Cc1ccc(NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000004776446 210275005 /nfs/dbraw/zinc/27/50/05/210275005.db2.gz GRAFMVIUZNDDQG-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN CCN(Cc1ccccc1)C(=O)c1c(C)c([N+](=O)[O-])c(C)nc1Cl ZINC000004754051 210270810 /nfs/dbraw/zinc/27/08/10/210270810.db2.gz JXYDKIFTMXTFSC-UHFFFAOYSA-N 0 0 347.802 3.922 50 5 EHBARN Nc1ccc([N+](=O)[O-])c(N2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000193492315 257952683 /nfs/dbraw/zinc/95/26/83/257952683.db2.gz WWGIQIQVKROZLC-UHFFFAOYSA-N 0 0 345.374 3.502 50 5 EHBARN O=[N+]([O-])c1ccc2[nH]c(SCCOc3ccc(F)cc3)nc2c1 ZINC000002171366 258049698 /nfs/dbraw/zinc/04/96/98/258049698.db2.gz WUSSEEQTKBCLAP-UHFFFAOYSA-N 0 0 333.344 3.781 50 5 EHBARN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000002534552 258049928 /nfs/dbraw/zinc/04/99/28/258049928.db2.gz NLCRSDCCZIJRRG-UHFFFAOYSA-N 0 0 336.687 3.513 50 5 EHBARN C[S@@](=O)Cc1cc(NCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000097371118 563595801 /nfs/dbraw/zinc/59/58/01/563595801.db2.gz KYPPDOLTMQWMKY-QFIPXVFZSA-N 0 0 338.816 3.739 50 5 EHBARN Cc1nn(C)c(N[C@H](C)CCc2ccc(OC(C)C)cc2)c1[N+](=O)[O-] ZINC000071968788 563856557 /nfs/dbraw/zinc/85/65/57/563856557.db2.gz IVPRBEUJYXVUGA-CYBMUJFWSA-N 0 0 346.431 3.857 50 5 EHBARN Cc1nc(CN(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000096455218 563953859 /nfs/dbraw/zinc/95/38/59/563953859.db2.gz PANPOIIUTCMNJF-LLVKDONJSA-N 0 0 348.428 3.571 50 5 EHBARN O=[N+]([O-])c1ccc(-c2nc(-c3cnccc3C(F)(F)F)no2)cc1 ZINC000000077584 563973639 /nfs/dbraw/zinc/97/36/39/563973639.db2.gz DDLZEQDNTQLQON-UHFFFAOYSA-N 0 0 336.229 3.726 50 5 EHBARN CC(C)(C)c1ccc(Oc2cc3c(cc2[N+](=O)[O-])C(=O)NC3=O)cc1 ZINC000000093655 563976469 /nfs/dbraw/zinc/97/64/69/563976469.db2.gz MIIHFBZEXNZBNU-UHFFFAOYSA-N 0 0 340.335 3.568 50 5 EHBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 ZINC000000225547 563988921 /nfs/dbraw/zinc/98/89/21/563988921.db2.gz JWGOYMXSQRNRNW-XCVCLJGOSA-N 0 0 348.152 3.976 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000000274631 563990065 /nfs/dbraw/zinc/99/00/65/563990065.db2.gz KALGVWATZJIXGR-UHFFFAOYSA-N 0 0 336.141 3.619 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1OC(=O)c1cccc(-n2cccc2)c1 ZINC000061206489 563993637 /nfs/dbraw/zinc/99/36/37/563993637.db2.gz NVHUOHIWVOJKNO-UHFFFAOYSA-N 0 0 338.319 3.613 50 5 EHBARN CCN(Cc1ccc(OC)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024235636 563998188 /nfs/dbraw/zinc/99/81/88/563998188.db2.gz WADOWAMUDVUWGB-UHFFFAOYSA-N 0 0 347.346 3.797 50 5 EHBARN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1F ZINC000000423923 563998396 /nfs/dbraw/zinc/99/83/96/563998396.db2.gz OUKRGYWJWLYFRZ-OAHLLOKOSA-N 0 0 336.319 3.652 50 5 EHBARN O=c1c2cc3ccccc3cc2[n-]c(=S)n1CCC[NH+]1CCCC1 ZINC000000425070 563998518 /nfs/dbraw/zinc/99/85/18/563998518.db2.gz QHMNCKWYFKKGNJ-UHFFFAOYSA-N 0 0 339.464 3.698 50 5 EHBARN COc1cccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c43)C2=O)c1 ZINC000000465501 564000719 /nfs/dbraw/zinc/00/07/19/564000719.db2.gz UGYWBEXEISPLNQ-UHFFFAOYSA-N 0 0 348.314 3.557 50 5 EHBARN CC(C)C(=O)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000000471868 564006224 /nfs/dbraw/zinc/00/62/24/564006224.db2.gz PPOVWQJRTCFXEI-UHFFFAOYSA-N 0 0 342.351 3.546 50 5 EHBARN C[C@H](NC(=O)N(C)Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000046886988 564025427 /nfs/dbraw/zinc/02/54/27/564025427.db2.gz IGXZGCXGPLIJQC-LBPRGKRZSA-N 0 0 331.347 3.637 50 5 EHBARN COc1ccc(OC)c(NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000000611561 564031804 /nfs/dbraw/zinc/03/18/04/564031804.db2.gz GBYHZGVODZMNFU-UHFFFAOYSA-N 0 0 347.396 3.729 50 5 EHBARN O=C(NCc1ccco1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000001055243 564054192 /nfs/dbraw/zinc/05/41/92/564054192.db2.gz BLDPUXFJGVWLTC-UHFFFAOYSA-N 0 0 336.756 3.986 50 5 EHBARN Cc1n[nH]cc1CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000012601640 564060432 /nfs/dbraw/zinc/06/04/32/564060432.db2.gz VNWUZFNTNPPRJX-UHFFFAOYSA-N 0 0 328.294 3.690 50 5 EHBARN O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000012621929 564060969 /nfs/dbraw/zinc/06/09/69/564060969.db2.gz CLFXGTDLQWRCOO-AWEZNQCLSA-N 0 0 332.356 3.701 50 5 EHBARN CSc1nc(Oc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 ZINC000001386984 564063951 /nfs/dbraw/zinc/06/39/51/564063951.db2.gz JBOSAFNYJMNBIW-UHFFFAOYSA-N 0 0 331.275 3.918 50 5 EHBARN C[C@@H](c1ccc(F)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012934710 564079168 /nfs/dbraw/zinc/07/91/68/564079168.db2.gz MVQSKUXAHSRQLH-LBPRGKRZSA-N 0 0 346.358 3.793 50 5 EHBARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000012945146 564079708 /nfs/dbraw/zinc/07/97/08/564079708.db2.gz KILCOGZJJHUYBF-UHFFFAOYSA-N 0 0 333.394 3.538 50 5 EHBARN Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000075134095 564080525 /nfs/dbraw/zinc/08/05/25/564080525.db2.gz IGDVTPXDKPGATH-NSHDSACASA-N 0 0 348.428 3.571 50 5 EHBARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006254091 564083295 /nfs/dbraw/zinc/08/32/95/564083295.db2.gz STTOWXDHYMSNIW-UHFFFAOYSA-N 0 0 341.298 3.950 50 5 EHBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000001793607 564087654 /nfs/dbraw/zinc/08/76/54/564087654.db2.gz WHDFJBDGCCUSBY-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN O=C(c1ccccc1)c1ccc(N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000065491671 564106482 /nfs/dbraw/zinc/10/64/82/564106482.db2.gz YWSKDSHIAWRAAY-SJLPKXTDSA-N 0 0 340.379 3.541 50 5 EHBARN CC(=O)c1ccc(NCCOc2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000007366477 564107576 /nfs/dbraw/zinc/10/75/76/564107576.db2.gz LPMQFTRAZUQKFL-UHFFFAOYSA-N 0 0 328.368 3.905 50 5 EHBARN O=[N+]([O-])c1cccc(CCNc2ncnc3c4ccccc4oc32)c1 ZINC000170590971 564108774 /nfs/dbraw/zinc/10/87/74/564108774.db2.gz AUBXOABQWVHJQZ-UHFFFAOYSA-N 0 0 334.335 3.939 50 5 EHBARN CC(C)C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000007511016 564109508 /nfs/dbraw/zinc/10/95/08/564109508.db2.gz DOMZTSOOZHZAEL-SFHVURJKSA-N 0 0 342.395 3.877 50 5 EHBARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)S1 ZINC000071284145 564110854 /nfs/dbraw/zinc/11/08/54/564110854.db2.gz RQCITJJMKBKCSS-CYBMUJFWSA-N 0 0 332.385 3.552 50 5 EHBARN CC(C)C(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000007616095 564121001 /nfs/dbraw/zinc/12/10/01/564121001.db2.gz HRXVYQUPNILFGV-SFHVURJKSA-N 0 0 337.379 3.929 50 5 EHBARN Cc1[nH]c2ccccc2c1CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194554611 564121639 /nfs/dbraw/zinc/12/16/39/564121639.db2.gz WFQGHLISZKRGJY-UHFFFAOYSA-N 0 0 337.379 3.665 50 5 EHBARN COc1cccc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC000194836886 564122251 /nfs/dbraw/zinc/12/22/51/564122251.db2.gz WQZJUBOJBDBXGK-LLVKDONJSA-N 0 0 348.321 3.700 50 5 EHBARN O=C(NCCc1cc2ccccc2[nH]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000095972108 564143447 /nfs/dbraw/zinc/14/34/47/564143447.db2.gz LXWGZWWISKXERQ-UHFFFAOYSA-N 0 0 343.770 3.702 50 5 EHBARN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000225623564 564150007 /nfs/dbraw/zinc/15/00/07/564150007.db2.gz WKRLEAKFFVODKZ-UHFFFAOYSA-N 0 0 347.802 3.871 50 5 EHBARN Cc1cc(C)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)sc2n1 ZINC000002581852 564151073 /nfs/dbraw/zinc/15/10/73/564151073.db2.gz IGRIYQWWLPXGAP-UHFFFAOYSA-N 0 0 327.365 3.635 50 5 EHBARN Cc1ccc(SCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000002978605 564153904 /nfs/dbraw/zinc/15/39/04/564153904.db2.gz WGISCVQGSITSAI-UHFFFAOYSA-N 0 0 330.409 3.734 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1c(F)c(F)c(F)c(F)c1F ZINC000003019150 564154323 /nfs/dbraw/zinc/15/43/23/564154323.db2.gz AAYFOOIDAKNNRI-UHFFFAOYSA-N 0 0 332.184 3.543 50 5 EHBARN C[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000057561351 564154985 /nfs/dbraw/zinc/15/49/85/564154985.db2.gz FXHCZLAYABAFHA-OAHLLOKOSA-N 0 0 334.419 3.556 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003149540 564155478 /nfs/dbraw/zinc/15/54/78/564155478.db2.gz USOZAMYDTGQOEX-UHFFFAOYSA-N 0 0 335.703 3.717 50 5 EHBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 ZINC000003181849 564155758 /nfs/dbraw/zinc/15/57/58/564155758.db2.gz LTFOQPHSHMCNSU-UHFFFAOYSA-N 0 0 340.364 3.553 50 5 EHBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1cccs1)C1CC1 ZINC000030303793 564155876 /nfs/dbraw/zinc/15/58/76/564155876.db2.gz KPBFQZAOPCNBLU-RMKNXTFCSA-N 0 0 328.393 3.861 50 5 EHBARN O=[N+]([O-])c1c(N[C@@H]2CCSc3ccccc32)nc2sccn21 ZINC000008337127 564164537 /nfs/dbraw/zinc/16/45/37/564164537.db2.gz LALWTXPSYFGWGC-SNVBAGLBSA-N 0 0 332.410 3.953 50 5 EHBARN O=C(Cc1ccsc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000008752512 564167308 /nfs/dbraw/zinc/16/73/08/564167308.db2.gz GTGSCVDJJKXOSG-UHFFFAOYSA-N 0 0 345.405 3.961 50 5 EHBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1N1CCCC1 ZINC000068299605 564167550 /nfs/dbraw/zinc/16/75/50/564167550.db2.gz FHWUWGDASZUSIK-UHFFFAOYSA-N 0 0 343.358 3.515 50 5 EHBARN Cn1cccc1[C@@H]1CCCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000070036703 564173435 /nfs/dbraw/zinc/17/34/35/564173435.db2.gz CBKRLIHSFRDVDF-SFHVURJKSA-N 0 0 341.411 3.620 50 5 EHBARN O=[N+]([O-])c1ccc(SC[C@@H](O)c2ccccc2)c2ccncc21 ZINC000052427095 214127928 /nfs/dbraw/zinc/12/79/28/214127928.db2.gz XNYAARZEPXXDKM-MRXNPFEDSA-N 0 0 326.377 3.969 50 5 EHBARN COc1cc(C=O)ccc1OCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000004702015 210253877 /nfs/dbraw/zinc/25/38/77/210253877.db2.gz 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/nfs/dbraw/zinc/12/36/34/210123634.db2.gz HQLMXRUPDKNJIB-UHFFFAOYSA-N 0 0 334.719 3.927 50 5 EHBARN Cc1cccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000004072102 210113195 /nfs/dbraw/zinc/11/31/95/210113195.db2.gz YPFMTVOMVONXRM-UHFFFAOYSA-N 0 0 340.364 3.674 50 5 EHBARN COC(=O)[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000004053053 210109352 /nfs/dbraw/zinc/10/93/52/210109352.db2.gz APXALVKLDQXIDL-NSHDSACASA-N 0 0 334.294 3.613 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C(C)C ZINC000003957236 210096342 /nfs/dbraw/zinc/09/63/42/210096342.db2.gz MEUYJODBCHLHHM-UHFFFAOYSA-N 0 0 344.367 3.744 50 5 EHBARN CCOc1ccc(OCCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003311162 210002936 /nfs/dbraw/zinc/00/29/36/210002936.db2.gz MYWUAJPSPLASOJ-UHFFFAOYSA-N 0 0 345.351 3.506 50 5 EHBARN O=C(c1ccoc1)N1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000043536908 213586780 /nfs/dbraw/zinc/58/67/80/213586780.db2.gz TTYZEYMZWNPBTD-UHFFFAOYSA-N 0 0 349.774 3.558 50 5 EHBARN CC(C)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 ZINC000002886590 209935885 /nfs/dbraw/zinc/93/58/85/209935885.db2.gz YLZBWWBHHZAPCM-UHFFFAOYSA-N 0 0 331.397 3.844 50 5 EHBARN O=C(NCc1ncc(-c2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000040123020 213269855 /nfs/dbraw/zinc/26/98/55/213269855.db2.gz FXYVKMSWTWOCDI-UHFFFAOYSA-N 0 0 338.323 3.572 50 5 EHBARN CCN(Cc1nc(-c2ccsc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000040087778 213260637 /nfs/dbraw/zinc/26/06/37/213260637.db2.gz AMEICIIDLYVKEQ-UHFFFAOYSA-N 0 0 344.396 3.728 50 5 EHBARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000474362 209625193 /nfs/dbraw/zinc/62/51/93/209625193.db2.gz JNTPKHQHNGEHCD-VIFPVBQESA-N 0 0 338.722 3.793 50 5 EHBARN COc1cc(C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000000445284 209604555 /nfs/dbraw/zinc/60/45/55/209604555.db2.gz CMKPIFHIIXBFRJ-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000000312843 209529952 /nfs/dbraw/zinc/52/99/52/209529952.db2.gz 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212162967 /nfs/dbraw/zinc/16/29/67/212162967.db2.gz ZCGNVEFWIBJFMV-UHFFFAOYSA-N 0 0 334.291 3.967 50 5 EHBARN Cc1ccc2onc(CC(=O)Nc3cccc([N+](=O)[O-])c3C)c2c1 ZINC000020488546 212138339 /nfs/dbraw/zinc/13/83/39/212138339.db2.gz WDLQQXXJEUZJBS-UHFFFAOYSA-N 0 0 325.324 3.534 50 5 EHBARN Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN1C[C@@H](C)O[C@H](C)C1 ZINC000019791663 212068309 /nfs/dbraw/zinc/06/83/09/212068309.db2.gz GIOVYRFIFRUGOD-ZIAGYGMSSA-N 0 0 336.435 3.599 50 5 EHBARN C[C@H](NC(=O)N(C)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000080045934 217273963 /nfs/dbraw/zinc/27/39/63/217273963.db2.gz UNRAVODFLNMUPU-NSHDSACASA-N 0 0 349.337 3.776 50 5 EHBARN CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000011034935 211200131 /nfs/dbraw/zinc/20/01/31/211200131.db2.gz ADOCBBDSAWTAJG-LLVKDONJSA-N 0 0 332.381 3.723 50 5 EHBARN CCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000009698598 211116111 /nfs/dbraw/zinc/11/61/11/211116111.db2.gz RDUMRLAEPZCWAL-UHFFFAOYSA-N 0 0 347.758 3.849 50 5 EHBARN Cc1ccc2[nH]c(=NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 ZINC000008969021 211024079 /nfs/dbraw/zinc/02/40/79/211024079.db2.gz FPWLNJZLSCLMAZ-UHFFFAOYSA-N 0 0 347.783 3.841 50 5 EHBARN O=C(NCCCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000008849515 211011035 /nfs/dbraw/zinc/01/10/35/211011035.db2.gz KPJNBOTUSDRNIS-UHFFFAOYSA-N 0 0 341.392 3.567 50 5 EHBARN Cc1nn(Cc2csc(-c3ccc(F)cc3)n2)c(C)c1[N+](=O)[O-] ZINC000007391565 210793199 /nfs/dbraw/zinc/79/31/99/210793199.db2.gz CGGFFTTVRSJMAB-UHFFFAOYSA-N 0 0 332.360 3.719 50 5 EHBARN COc1cc(CNc2ccc3c(c2)CCC3)c([N+](=O)[O-])cc1OC ZINC000004981367 210347693 /nfs/dbraw/zinc/34/76/93/210347693.db2.gz UXVNGPRYWBWEDQ-UHFFFAOYSA-N 0 0 328.368 3.713 50 5 EHBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000004873287 210309467 /nfs/dbraw/zinc/30/94/67/210309467.db2.gz QZODUIYFMRQTJE-UHFFFAOYSA-N 0 0 325.368 3.756 50 5 EHBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsc1NC(=O)C1CCC1 ZINC000004804861 210281715 /nfs/dbraw/zinc/28/17/15/210281715.db2.gz 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C[C@@]12C[C@@H](NC(=O)N1c1ccccc1F)c1cc([N+](=O)[O-])ccc1O2 ZINC000000427477 563998685 /nfs/dbraw/zinc/99/86/85/563998685.db2.gz UKDPNVZZOYLZAC-CXAGYDPISA-N 0 0 343.314 3.504 50 5 EHBARN Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000000437890 563999303 /nfs/dbraw/zinc/99/93/03/563999303.db2.gz GNFDSKYLQCVXFF-UHFFFAOYSA-N 0 0 335.157 3.918 50 5 EHBARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000430870 563999408 /nfs/dbraw/zinc/99/94/08/563999408.db2.gz NQKNUQVCYJXKBO-NTEUORMPSA-N 0 0 328.711 3.593 50 5 EHBARN CC1(C)C(=O)O[C@H](c2ccccc2[N+](=O)[O-])C2(CCCCC2)C1=O ZINC000000459880 563999782 /nfs/dbraw/zinc/99/97/82/563999782.db2.gz PMAIISAAALKIDD-CQSZACIVSA-N 0 0 331.368 3.739 50 5 EHBARN Cc1cc(C)c(OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000000458665 563999789 /nfs/dbraw/zinc/99/97/89/563999789.db2.gz JNSXZUIOVZXQDB-UHFFFAOYSA-N 0 0 328.368 3.846 50 5 EHBARN O=C(OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000462039 564000754 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O=C(c1csc([N+](=O)[O-])c1)N1CCCSc2ccc(F)cc21 ZINC000190427100 564060973 /nfs/dbraw/zinc/06/09/73/564060973.db2.gz ISVRPZLBGCKZFF-UHFFFAOYSA-N 0 0 338.385 3.938 50 5 EHBARN C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000012782354 564070138 /nfs/dbraw/zinc/07/01/38/564070138.db2.gz WMEWJRGQKMXTPC-LBPRGKRZSA-N 0 0 340.335 3.597 50 5 EHBARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000085412296 564072894 /nfs/dbraw/zinc/07/28/94/564072894.db2.gz YDHNBKFUTFXWLQ-CYBMUJFWSA-N 0 0 332.385 3.552 50 5 EHBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(F)c1 ZINC000006062199 564073302 /nfs/dbraw/zinc/07/33/02/564073302.db2.gz QZMYMAJRNHWDFR-UHFFFAOYSA-N 0 0 327.670 3.788 50 5 EHBARN CC(C)(C)c1ccc(-c2nn3cnc4ccccc4c3nc2=O)cc1 ZINC000075093426 564079969 /nfs/dbraw/zinc/07/99/69/564079969.db2.gz FMXMIMMBQQUCAF-UHFFFAOYSA-N 0 0 330.391 3.602 50 5 EHBARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000012983350 564085748 /nfs/dbraw/zinc/08/57/48/564085748.db2.gz 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CC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000003515165 564158643 /nfs/dbraw/zinc/15/86/43/564158643.db2.gz KUSAITLCDFUPLI-UHFFFAOYSA-N 0 0 342.395 3.801 50 5 EHBARN O=C(NCc1ccc([N+](=O)[O-])cc1)c1c2c(nc3ccccc31)CCC2 ZINC000058354750 564158843 /nfs/dbraw/zinc/15/88/43/564158843.db2.gz JJMIPDUBYKYHRL-UHFFFAOYSA-N 0 0 347.374 3.562 50 5 EHBARN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008168313 564163288 /nfs/dbraw/zinc/16/32/88/564163288.db2.gz RTYPAVYDXKMLQD-CYBMUJFWSA-N 0 0 330.409 3.607 50 5 EHBARN CCN(CC)C(=O)[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000008278975 564163967 /nfs/dbraw/zinc/16/39/67/564163967.db2.gz KBQVTXTVGXYXHS-KRWDZBQOSA-N 0 0 346.358 3.722 50 5 EHBARN O=C(c1nc(-c2ccc([N+](=O)[O-])cc2)n2ccccc12)C(F)(F)F ZINC000008717020 564166603 /nfs/dbraw/zinc/16/66/03/564166603.db2.gz XMJUYSJQMCMNKN-UHFFFAOYSA-N 0 0 335.241 3.655 50 5 EHBARN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2)cc1SC ZINC000069489850 564169879 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O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccccn1 ZINC000055514588 214327924 /nfs/dbraw/zinc/32/79/24/214327924.db2.gz JKXTYVCENGNJNO-HNNXBMFYSA-N 0 0 331.759 3.621 50 5 EHBARN COc1ccc(C[C@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000055614509 214334522 /nfs/dbraw/zinc/33/45/22/214334522.db2.gz PDAAQNMLCKFKAQ-CQSZACIVSA-N 0 0 346.408 3.512 50 5 EHBARN Cc1cccc(C(=O)OCc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000004580220 210226032 /nfs/dbraw/zinc/22/60/32/210226032.db2.gz NTPBMLDCPFSTOH-UHFFFAOYSA-N 0 0 328.349 3.870 50 5 EHBARN O=C1Nc2ccc(Br)cc2[C@@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000101016717 219114249 /nfs/dbraw/zinc/11/42/49/219114249.db2.gz ZGEHUYODCJIRMD-ZDUSSCGKSA-N 0 0 347.168 3.636 50 5 EHBARN CSc1ccc(C(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000003553821 210053260 /nfs/dbraw/zinc/05/32/60/210053260.db2.gz HDNLMJADSFVMHQ-UHFFFAOYSA-N 0 0 336.800 3.900 50 5 EHBARN Cc1occc1-c1nnc(SCc2cccc([N+](=O)[O-])c2)n1C ZINC000003445625 210041677 /nfs/dbraw/zinc/04/16/77/210041677.db2.gz XOKZGDRINDWHHX-UHFFFAOYSA-N 0 0 330.369 3.584 50 5 EHBARN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc21 ZINC000067825876 215223424 /nfs/dbraw/zinc/22/34/24/215223424.db2.gz FPTDTKQSXNTUBQ-IBGZPJMESA-N 0 0 349.390 3.695 50 5 EHBARN O=C(NCc1ccc(Cl)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067970807 215263859 /nfs/dbraw/zinc/26/38/59/215263859.db2.gz LDIRJBQVGAERFF-UHFFFAOYSA-N 0 0 332.715 3.518 50 5 EHBARN O=C(Nc1cccc2c1CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002054518 209815893 /nfs/dbraw/zinc/81/58/93/209815893.db2.gz IXKNUPCEKOLOEQ-UHFFFAOYSA-N 0 0 341.323 3.634 50 5 EHBARN Cc1ccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000040060255 213256877 /nfs/dbraw/zinc/25/68/77/213256877.db2.gz ZQYBWJYBQVLPQF-UHFFFAOYSA-N 0 0 328.368 3.928 50 5 EHBARN O=C(NCc1ccc(Cl)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000001403961 209741699 /nfs/dbraw/zinc/74/16/99/209741699.db2.gz GVYCQHLHHFWHNR-UHFFFAOYSA-N 0 0 325.151 3.832 50 5 EHBARN NC(=O)c1ccc(COc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000030022066 212689116 /nfs/dbraw/zinc/68/91/16/212689116.db2.gz VYRAVKDAMWBCGT-UHFFFAOYSA-N 0 0 341.150 3.580 50 5 EHBARN O=C(CSc1ccc([N+](=O)[O-])cc1Cl)NCc1ccccc1 ZINC000000145553 209449596 /nfs/dbraw/zinc/44/95/96/209449596.db2.gz RFZHGIPXDHPXMD-UHFFFAOYSA-N 0 0 336.800 3.657 50 5 EHBARN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2cncnc2)cc1 ZINC000073250463 216369568 /nfs/dbraw/zinc/36/95/68/216369568.db2.gz CAGFXZUFIFPTMH-ZDUSSCGKSA-N 0 0 348.362 3.543 50 5 EHBARN COc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000023152083 212355719 /nfs/dbraw/zinc/35/57/19/212355719.db2.gz RQJIZSKUSUOABT-INIZCTEOSA-N 0 0 340.379 3.753 50 5 EHBARN CCCc1noc(-c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)n1 ZINC000020898007 212182765 /nfs/dbraw/zinc/18/27/65/212182765.db2.gz CHICGUJIOZEQDF-UHFFFAOYSA-N 0 0 328.328 3.802 50 5 EHBARN O=C1c2cccnc2Oc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000020030751 212095797 /nfs/dbraw/zinc/09/57/97/212095797.db2.gz NTFLGPOKGDZOTL-UHFFFAOYSA-N 0 0 347.330 3.943 50 5 EHBARN Cc1ccnc(-c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)n1 ZINC000078813463 217126953 /nfs/dbraw/zinc/12/69/53/217126953.db2.gz NOJQGMRFWYDNBS-UHFFFAOYSA-N 0 0 348.362 3.541 50 5 EHBARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000012859489 211470963 /nfs/dbraw/zinc/47/09/63/211470963.db2.gz QTLSKAASRCRKSN-CHWSQXEVSA-N 0 0 328.368 3.973 50 5 EHBARN O=C(NCc1csc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000010893684 211194265 /nfs/dbraw/zinc/19/42/65/211194265.db2.gz OFTIZKLCROKXHM-UHFFFAOYSA-N 0 0 339.376 3.648 50 5 EHBARN Cc1c(-c2nn3c(nnc3-c3cccs3)s2)cccc1[N+](=O)[O-] ZINC000009355890 211074079 /nfs/dbraw/zinc/07/40/79/211074079.db2.gz FAALATKBZUXPQP-UHFFFAOYSA-N 0 0 343.393 3.798 50 5 EHBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(-c2ccoc2)s1 ZINC000095399631 218334090 /nfs/dbraw/zinc/33/40/90/218334090.db2.gz OQMJYKYGFKCFAW-UHFFFAOYSA-N 0 0 345.336 3.572 50 5 EHBARN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC(C)(C)C ZINC000095972186 218477186 /nfs/dbraw/zinc/47/71/86/218477186.db2.gz HOQNFOYJXCSLTH-LBPRGKRZSA-N 0 0 346.383 3.675 50 5 EHBARN CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000005939875 210563455 /nfs/dbraw/zinc/56/34/55/210563455.db2.gz UVEHOSNUISZMMQ-LJQANCHMSA-N 0 0 337.379 3.843 50 5 EHBARN Nc1nc(Nc2ccccc2)nc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000005090996 210388294 /nfs/dbraw/zinc/38/82/94/210388294.db2.gz LKEPSTLIJHRNNL-UHFFFAOYSA-N 0 0 340.318 3.593 50 5 EHBARN CCOc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000004892268 210315105 /nfs/dbraw/zinc/31/51/05/210315105.db2.gz FKEFOSJSXZLUEC-GJZGRUSLSA-N 0 0 326.352 3.736 50 5 EHBARN COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004840741 210294912 /nfs/dbraw/zinc/29/49/12/210294912.db2.gz LKYYDNVQCWPUFX-UHFFFAOYSA-N 0 0 348.742 3.596 50 5 EHBARN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004838973 210294672 /nfs/dbraw/zinc/29/46/72/210294672.db2.gz HCCRQTCYLOBHTC-UHFFFAOYSA-N 0 0 340.257 3.875 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(Cl)cn1 ZINC000004793290 210278584 /nfs/dbraw/zinc/27/85/84/210278584.db2.gz PZXPKKHRKPWYCG-UHFFFAOYSA-N 0 0 328.111 3.908 50 5 EHBARN O=[N+]([O-])c1c(F)cccc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000040158249 132399028 /nfs/dbraw/zinc/39/90/28/132399028.db2.gz FTRUHXBEUARDPM-LBPRGKRZSA-N 0 0 340.358 3.994 50 5 EHBARN Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)OC(C)C ZINC000002706841 563446271 /nfs/dbraw/zinc/44/62/71/563446271.db2.gz ZWAXOHXYYWHZKO-UHFFFAOYSA-N 0 0 333.391 3.998 50 5 EHBARN COc1ccccc1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000004336160 563649177 /nfs/dbraw/zinc/64/91/77/563649177.db2.gz LMIVEWTZWMAZPS-UHFFFAOYSA-N 0 0 342.395 3.996 50 5 EHBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1Cc1ccccc1 ZINC000032900941 563787305 /nfs/dbraw/zinc/78/73/05/563787305.db2.gz YIXIFSKCTIGZDY-KRWDZBQOSA-N 0 0 325.368 3.834 50 5 EHBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000015837962 563794379 /nfs/dbraw/zinc/79/43/79/563794379.db2.gz LHFLADIYFQRKKT-ZDUSSCGKSA-N 0 0 331.328 3.565 50 5 EHBARN Cc1ccc2nsnc2c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016348795 563809318 /nfs/dbraw/zinc/80/93/18/563809318.db2.gz AGWDWAJMIBCPFY-UHFFFAOYSA-N 0 0 348.771 3.814 50 5 EHBARN O=[N+]([O-])c1ccc(-n2nncc2-c2ccccc2Br)cc1 ZINC000032929419 563839567 /nfs/dbraw/zinc/83/95/67/563839567.db2.gz JGGAPANMXLXABT-UHFFFAOYSA-N 0 0 345.156 3.605 50 5 EHBARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000013858142 563935466 /nfs/dbraw/zinc/93/54/66/563935466.db2.gz OPADFNJDHLNKMW-UHFFFAOYSA-N 0 0 337.335 3.514 50 5 EHBARN CCCCCNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000004660667 563963519 /nfs/dbraw/zinc/96/35/19/563963519.db2.gz VOGIGCCNELUSBK-CQSZACIVSA-N 0 0 333.432 3.751 50 5 EHBARN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CCCC2 ZINC000033316367 563973646 /nfs/dbraw/zinc/97/36/46/563973646.db2.gz CLBGRZAGFFVSGO-YFHOEESVSA-N 0 0 329.381 3.582 50 5 EHBARN Cc1ccc(C)c(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000000099462 563976467 /nfs/dbraw/zinc/97/64/67/563976467.db2.gz RLFUDQPKIAPEHY-UHFFFAOYSA-N 0 0 325.324 3.841 50 5 EHBARN Cc1ccc2nsnc2c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000097747 563976472 /nfs/dbraw/zinc/97/64/72/563976472.db2.gz HGNRCRSKPDEIIY-UHFFFAOYSA-N 0 0 348.771 3.814 50 5 EHBARN O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccccc1[N+](=O)[O-] ZINC000000098132 563976474 /nfs/dbraw/zinc/97/64/74/563976474.db2.gz MYZWEQQMVCQEKH-UHFFFAOYSA-N 0 0 343.342 3.961 50 5 EHBARN CCOC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000152657 563987410 /nfs/dbraw/zinc/98/74/10/563987410.db2.gz UHIHLTDQQZLRIJ-UHFFFAOYSA-N 0 0 333.727 3.656 50 5 EHBARN Cc1cc(=O)oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3C)ccc12 ZINC000000242598 563989160 /nfs/dbraw/zinc/98/91/60/563989160.db2.gz GKIPTHWKIYTKII-UHFFFAOYSA-N 0 0 339.303 3.537 50 5 EHBARN COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000000288678 563990175 /nfs/dbraw/zinc/99/01/75/563990175.db2.gz BKTPLVWWLYGXIE-UHFFFAOYSA-N 0 0 336.731 3.518 50 5 EHBARN Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1[N+](=O)[O-] ZINC000023996878 563991287 /nfs/dbraw/zinc/99/12/87/563991287.db2.gz NVPSMMJNDMFUEC-SFHVURJKSA-N 0 0 347.374 3.818 50 5 EHBARN Cc1c(CC(=O)Nc2ccc(O)cc2OC(C)C)cccc1[N+](=O)[O-] ZINC000408514590 563992932 /nfs/dbraw/zinc/99/29/32/563992932.db2.gz WQWHXHLDJPOHAT-UHFFFAOYSA-N 0 0 344.367 3.577 50 5 EHBARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000024233857 563998271 /nfs/dbraw/zinc/99/82/71/563998271.db2.gz HJOARLXXRMPWAR-MRXNPFEDSA-N 0 0 341.367 3.972 50 5 EHBARN Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1C ZINC000000454332 563999796 /nfs/dbraw/zinc/99/97/96/563999796.db2.gz YJAMLSVXMBDZQR-UHFFFAOYSA-N 0 0 338.319 3.570 50 5 EHBARN Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)c1 ZINC000005180028 564000070 /nfs/dbraw/zinc/00/00/70/564000070.db2.gz DMYMFQZTHRXOHN-UHFFFAOYSA-N 0 0 342.403 3.764 50 5 EHBARN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Br)o3)n2)c1 ZINC000000461007 564000783 /nfs/dbraw/zinc/00/07/83/564000783.db2.gz TVADYHXWWZLBME-UHFFFAOYSA-N 0 0 336.101 3.667 50 5 EHBARN CC(=O)[C@H](C)Oc1cc(O)c2c(c1)oc1cc(Cl)ccc1c2=O ZINC000005345712 564002943 /nfs/dbraw/zinc/00/29/43/564002943.db2.gz GIOSYYASRPWMBG-VIFPVBQESA-N 0 0 332.739 3.662 50 5 EHBARN Cn1c(=O)c([N+](=O)[O-])c(NCc2ccccc2Cl)c2ccccc21 ZINC000005520336 564004929 /nfs/dbraw/zinc/00/49/29/564004929.db2.gz BQGCFSSXMZOANL-UHFFFAOYSA-N 0 0 343.770 3.712 50 5 EHBARN Cc1ccc(C)c(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000000478011 564006148 /nfs/dbraw/zinc/00/61/48/564006148.db2.gz KEJJUMMHRVGXPJ-SXGWCWSVSA-N 0 0 336.347 3.865 50 5 EHBARN O=[N+]([O-])c1ccc(NCCCn2cnc3ccccc32)c2ccncc21 ZINC000017282841 564011483 /nfs/dbraw/zinc/01/14/83/564011483.db2.gz KOMJAJMPMYXDAW-UHFFFAOYSA-N 0 0 347.378 3.995 50 5 EHBARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000047248322 564025972 /nfs/dbraw/zinc/02/59/72/564025972.db2.gz GMHQFGHREYXNBA-TZMCWYRMSA-N 0 0 339.376 3.567 50 5 EHBARN CN(C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000048289860 564030540 /nfs/dbraw/zinc/03/05/40/564030540.db2.gz GFRKGOUXSVLAOB-AWEZNQCLSA-N 0 0 349.431 3.678 50 5 EHBARN Cc1cc(NCCNc2ncccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000048326401 564031117 /nfs/dbraw/zinc/03/11/17/564031117.db2.gz DBQQYLAAKIEJDU-UHFFFAOYSA-N 0 0 340.305 3.841 50 5 EHBARN CCOc1ccc([C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000611986 564031790 /nfs/dbraw/zinc/03/17/90/564031790.db2.gz GUAKNSCPEPFSFR-GFCCVEGCSA-N 0 0 329.356 3.876 50 5 EHBARN Cc1cc2oc(=O)cc(COc3cccnc3[N+](=O)[O-])c2cc1Cl ZINC000005971126 564057360 /nfs/dbraw/zinc/05/73/60/564057360.db2.gz KZBKCVSGJMCTIM-UHFFFAOYSA-N 0 0 346.726 3.637 50 5 EHBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000016180951 564080340 /nfs/dbraw/zinc/08/03/40/564080340.db2.gz XVXIKTOGDGOSIX-UHFFFAOYSA-N 0 0 344.754 3.971 50 5 EHBARN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)cc1 ZINC000006627447 564094664 /nfs/dbraw/zinc/09/46/64/564094664.db2.gz LXLUAEUVVRZCQA-UHFFFAOYSA-N 0 0 348.163 3.669 50 5 EHBARN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000065488827 564106384 /nfs/dbraw/zinc/10/63/84/564106384.db2.gz ZXSWHDDOOXLEGS-LLVKDONJSA-N 0 0 341.392 3.738 50 5 EHBARN Cc1c(Br)c([N+](=O)[O-])nn1Cc1ccccc1Cl ZINC000017146152 564116531 /nfs/dbraw/zinc/11/65/31/564116531.db2.gz JJPIMBUPMMTEAB-UHFFFAOYSA-N 0 0 330.569 3.564 50 5 EHBARN CC(C)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])C(C)C ZINC000278763135 564120625 /nfs/dbraw/zinc/12/06/25/564120625.db2.gz RSFRPKFIGFXUKP-UHFFFAOYSA-N 0 0 335.223 3.678 50 5 EHBARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1C1CC1 ZINC000007889711 564124431 /nfs/dbraw/zinc/12/44/31/564124431.db2.gz LGKIZYYJAWGXIG-MRXNPFEDSA-N 0 0 343.770 3.977 50 5 EHBARN CCN(Cc1ccoc1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000095430630 564140330 /nfs/dbraw/zinc/14/03/30/564140330.db2.gz MHUVPRPDIDAKFA-LBPRGKRZSA-N 0 0 342.355 3.821 50 5 EHBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000002617163 564151137 /nfs/dbraw/zinc/15/11/37/564151137.db2.gz FIKUPSDBBMIMFP-UHFFFAOYSA-N 0 0 341.241 3.850 50 5 EHBARN Cc1ccc(C)c(Oc2cc([N+](=O)[O-])cc(N3C(=O)CCC3=O)c2)c1 ZINC000002732537 564152317 /nfs/dbraw/zinc/15/23/17/564152317.db2.gz AJQWNQARVJSDPE-UHFFFAOYSA-N 0 0 340.335 3.657 50 5 EHBARN CCc1cccc(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002739385 564152327 /nfs/dbraw/zinc/15/23/27/564152327.db2.gz CGBISNDSZJEWCM-UHFFFAOYSA-N 0 0 343.339 3.555 50 5 EHBARN CCn1cc([N+](=O)[O-])c(C(=O)N(C2CCCCC2)C2CCCCC2)n1 ZINC000002780804 564152604 /nfs/dbraw/zinc/15/26/04/564152604.db2.gz QZSHABKTMOFUDN-UHFFFAOYSA-N 0 0 348.447 3.919 50 5 EHBARN O=C(c1cccc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl ZINC000003134963 564155348 /nfs/dbraw/zinc/15/53/48/564155348.db2.gz ARGBVJFYTMNKHT-UHFFFAOYSA-N 0 0 330.649 3.893 50 5 EHBARN CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000003182269 564155768 /nfs/dbraw/zinc/15/57/68/564155768.db2.gz AOFUYHPCJRCVLO-UHFFFAOYSA-N 0 0 349.393 3.917 50 5 EHBARN O=C(Cn1cc([N+](=O)[O-])cn1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000058344372 564158758 /nfs/dbraw/zinc/15/87/58/564158758.db2.gz ZYRXVNUNULWGRA-UHFFFAOYSA-N 0 0 346.346 3.823 50 5 EHBARN O=c1c([N+](=O)[O-])c(N2CCCCC2)c2ccccc2n1-c1ccccc1 ZINC000004311646 564161651 /nfs/dbraw/zinc/16/16/51/564161651.db2.gz FNRJSENHNOAUHO-UHFFFAOYSA-N 0 0 349.390 3.889 50 5 aggregator EHBARN Cc1nc2sc3c(c2c(Oc2cccnc2[N+](=O)[O-])n1)CCC3 ZINC000007983377 564161788 /nfs/dbraw/zinc/16/17/88/564161788.db2.gz JBKFTVDJUSVNMP-UHFFFAOYSA-N 0 0 328.353 3.584 50 5 EHBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)c1ccc2c(c1)CCC2 ZINC000008233953 564163771 /nfs/dbraw/zinc/16/37/71/564163771.db2.gz LTTSOHMRVAWWBW-JTQLQIEISA-N 0 0 345.376 3.573 50 5 EHBARN O=[N+]([O-])c1cnccc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067373936 564165801 /nfs/dbraw/zinc/16/58/01/564165801.db2.gz LADQZORPKBUCIR-QGZVFWFLSA-N 0 0 347.802 3.593 50 5 EHBARN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008735836 564167121 /nfs/dbraw/zinc/16/71/21/564167121.db2.gz AVORPJLQVWBPCH-VIFPVBQESA-N 0 0 338.722 3.793 50 5 EHBARN CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1 ZINC000002241830 568422237 /nfs/dbraw/zinc/42/22/37/568422237.db2.gz CWUWXFPQKIKNAG-UHFFFAOYSA-N 0 0 348.427 3.582 50 5 EHBARN