smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)c1 ZINC000000627761 569009443 /nfs/dbraw/zinc/00/94/43/569009443.db2.gz HPWSKNZNRUNUMF-UHFFFAOYSA-N 0 0 402.446 5.362 50 5 HKBARN O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(NCc3ccco3)nn12 ZINC000000628618 557024645 /nfs/dbraw/zinc/02/46/45/557024645.db2.gz FSNWBNDSRXATBG-UHFFFAOYSA-N 0 0 424.485 5.330 50 5 HKBARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c1ccc1ccc3cccnc3c12 ZINC000000638989 557031242 /nfs/dbraw/zinc/03/12/42/557031242.db2.gz PTSHPAJLGMWYIO-UHFFFAOYSA-N 0 0 412.420 5.188 50 5 HKBARN CC(=O)c1c(C)nc2sc3c(ncn4nc(C)nc34)c2c1-c1ccc(Cl)cc1 ZINC000000643099 557033690 /nfs/dbraw/zinc/03/36/90/557033690.db2.gz ZVCAGUWLMYBBPL-UHFFFAOYSA-N 0 0 407.886 5.027 50 5 HKBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)c(Cl)c1 ZINC000000647594 132229919 /nfs/dbraw/zinc/22/99/19/132229919.db2.gz GBSVDQWNHAHAIZ-IBGZPJMESA-N 0 0 414.248 5.673 50 5 HKBARN O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)c(Cl)c1 ZINC000000647596 132229970 /nfs/dbraw/zinc/22/99/70/132229970.db2.gz GBSVDQWNHAHAIZ-LJQANCHMSA-N 0 0 414.248 5.673 50 5 HKBARN CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCc3ccc(Cl)cc3)c2c1N ZINC000000652394 568457832 /nfs/dbraw/zinc/45/78/32/568457832.db2.gz PFJAJVYQBQGHTG-UHFFFAOYSA-N 0 0 422.915 5.514 50 5 HKBARN CCn1nc(C)c(C(=O)Nc2cc(Oc3cc(C)cc(C)c3)cc([N+](=O)[O-])c2)c1C ZINC000000652608 568457763 /nfs/dbraw/zinc/45/77/63/568457763.db2.gz OIPDXYUJILSFOD-UHFFFAOYSA-N 0 0 408.458 5.089 50 5 HKBARN O=C1c2ccccc2N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1c1ccccc1 ZINC000000654666 132230128 /nfs/dbraw/zinc/23/01/28/132230128.db2.gz AJNDRRXAEWBDQT-QHCPKHFHSA-N 0 0 411.417 5.626 50 5 HKBARN O=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1c1ccccc1 ZINC000000654667 132230131 /nfs/dbraw/zinc/23/01/31/132230131.db2.gz AJNDRRXAEWBDQT-HSZRJFAPSA-N 0 0 411.417 5.626 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21 ZINC000000654685 568457740 /nfs/dbraw/zinc/45/77/40/568457740.db2.gz VXHKPJSVNVSAHK-UHFFFAOYSA-N 0 0 413.433 5.379 50 5 HKBARN CCn1nc(C)c(C(=O)Nc2cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)c1C ZINC000000655723 568457798 /nfs/dbraw/zinc/45/77/98/568457798.db2.gz PXDYSXUCEVHHKC-UHFFFAOYSA-N 0 0 414.849 5.126 50 5 HKBARN Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2C)cc1 ZINC000000656228 568457672 /nfs/dbraw/zinc/45/76/72/568457672.db2.gz DYUBHZOLIZOBSM-UHFFFAOYSA-N 0 0 415.424 5.818 50 5 HKBARN COc1cccc(-c2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3ccccc3n2)c1 ZINC000000656486 568457647 /nfs/dbraw/zinc/45/76/47/568457647.db2.gz VDPWINZCPZTBTL-UHFFFAOYSA-N 0 0 417.396 5.210 50 5 HKBARN O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000656866 568457854 /nfs/dbraw/zinc/45/78/54/568457854.db2.gz HXSNFCAAQOEMOF-UHFFFAOYSA-N 0 0 420.812 5.218 50 5 HKBARN Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C)o2)c([N+](=O)[O-])c1 ZINC000000656876 568457686 /nfs/dbraw/zinc/45/76/86/568457686.db2.gz ASVJDDFHGOAHSZ-UHFFFAOYSA-N 0 0 400.818 5.289 50 5 HKBARN CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000000657143 568457938 /nfs/dbraw/zinc/45/79/38/568457938.db2.gz DWDOCAGDBHLVMJ-UHFFFAOYSA-N 0 0 422.890 5.008 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000000657208 568457619 /nfs/dbraw/zinc/45/76/19/568457619.db2.gz BYMRVONGSYGWOH-UHFFFAOYSA-N 0 0 413.433 5.379 50 5 HKBARN O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccc(F)cc1 ZINC000000658483 557042214 /nfs/dbraw/zinc/04/22/14/557042214.db2.gz NPCKSKNUATWJJP-UHFFFAOYSA-N 0 0 414.465 5.201 50 5 HKBARN Nc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000000662857 568460061 /nfs/dbraw/zinc/46/00/61/568460061.db2.gz RGWVXVCOLSHKGE-UHFFFAOYSA-N 0 0 421.425 6.201 50 5 HKBARN COc1ccccc1-c1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000000667747 568460060 /nfs/dbraw/zinc/46/00/60/568460060.db2.gz IGGYLKDQDMFBAR-UHFFFAOYSA-N 0 0 413.433 5.379 50 5 HKBARN COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000667795 568460042 /nfs/dbraw/zinc/46/00/42/568460042.db2.gz FOBAFNPVQMSSFH-UHFFFAOYSA-N 0 0 424.478 5.287 50 5 HKBARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000000668415 568460014 /nfs/dbraw/zinc/46/00/14/568460014.db2.gz VLAUOTGLXZZPPB-UHFFFAOYSA-N 0 0 421.236 5.634 50 5 HKBARN CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000668745 568460146 /nfs/dbraw/zinc/46/01/46/568460146.db2.gz ZAQUGJQDQQMIAU-UHFFFAOYSA-N 0 0 410.451 5.141 50 5 HKBARN Cc1cccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c3ccccc3n2)c1 ZINC000000669129 568460027 /nfs/dbraw/zinc/46/00/27/568460027.db2.gz UCZHKGXOVPKPOX-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1[N+](=O)[O-] ZINC000000669210 568460004 /nfs/dbraw/zinc/46/00/04/568460004.db2.gz MRYOYLLBHUVGLU-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000669645 568460056 /nfs/dbraw/zinc/46/00/56/568460056.db2.gz BIDJTONCWAFAIN-XBXARRHUSA-N 0 0 420.277 5.677 50 5 HKBARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000669891 568460161 /nfs/dbraw/zinc/46/01/61/568460161.db2.gz UIEHGPPIDBOGSJ-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000000671647 568460810 /nfs/dbraw/zinc/46/08/10/568460810.db2.gz MRXWLLMNXNUQBI-QPJJXVBHSA-N 0 0 420.277 5.677 50 5 HKBARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1 ZINC000000671673 568460650 /nfs/dbraw/zinc/46/06/50/568460650.db2.gz SZLJFFIUZZWCQN-GFCCVEGCSA-N 0 0 415.902 6.138 50 5 HKBARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1 ZINC000000671676 568460892 /nfs/dbraw/zinc/46/08/92/568460892.db2.gz SZLJFFIUZZWCQN-LBPRGKRZSA-N 0 0 415.902 6.138 50 5 HKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000671774 568460970 /nfs/dbraw/zinc/46/09/70/568460970.db2.gz ZLNCXFOHOGSDDJ-UHFFFAOYSA-N 0 0 403.825 5.716 50 5 HKBARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)c(C)c1 ZINC000000673145 568461004 /nfs/dbraw/zinc/46/10/04/568461004.db2.gz WOJZWJFGPRLBNY-UHFFFAOYSA-N 0 0 411.461 5.988 50 5 HKBARN Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C(C)C)cc1Br ZINC000000674708 568460839 /nfs/dbraw/zinc/46/08/39/568460839.db2.gz WUDGNOJHWNAORI-UHFFFAOYSA-N 0 0 421.291 5.115 50 5 HKBARN Cc1ccccc1-c1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000000674803 568460690 /nfs/dbraw/zinc/46/06/90/568460690.db2.gz OFKMBYPKVIKREL-UHFFFAOYSA-N 0 0 401.397 5.510 50 5 HKBARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1[N+](=O)[O-] ZINC000000675466 568460754 /nfs/dbraw/zinc/46/07/54/568460754.db2.gz AZDSFYYZPMUXEM-UHFFFAOYSA-N 0 0 417.421 5.281 50 5 HKBARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000000675473 568460553 /nfs/dbraw/zinc/46/05/53/568460553.db2.gz WDOGBUFGPUGKHJ-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CCc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000000675491 568460611 /nfs/dbraw/zinc/46/06/11/568460611.db2.gz HRLDJSKTZXXJRC-UHFFFAOYSA-N 0 0 417.421 5.226 50 5 HKBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000000675954 568460677 /nfs/dbraw/zinc/46/06/77/568460677.db2.gz ULQHRIHOUKOMCN-UHFFFAOYSA-N 0 0 407.209 5.326 50 5 HKBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)scc1-c1ccccc1Cl ZINC000000676215 568460782 /nfs/dbraw/zinc/46/07/82/568460782.db2.gz ZMLVDHGELUWDNJ-UHFFFAOYSA-N 0 0 416.842 5.016 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)sc2c1 ZINC000000677019 568460618 /nfs/dbraw/zinc/46/06/18/568460618.db2.gz UOGBYEZONKYUBZ-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)oc2c(C)c1 ZINC000000677020 568460706 /nfs/dbraw/zinc/46/07/06/568460706.db2.gz LTJBGRKGQLYJGV-UHFFFAOYSA-N 0 0 415.449 5.889 50 5 HKBARN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1[N+](=O)[O-] ZINC000000677492 568460774 /nfs/dbraw/zinc/46/07/74/568460774.db2.gz HOQIRIYUHFEJMS-UHFFFAOYSA-N 0 0 417.421 5.281 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)oc2c(C)c1 ZINC000000677501 568460673 /nfs/dbraw/zinc/46/06/73/568460673.db2.gz MANVEWNEMPCHAP-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1c(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cccc1[N+](=O)[O-] ZINC000000677514 568460703 /nfs/dbraw/zinc/46/07/03/568460703.db2.gz CFEIYVPIIQZOAU-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1cc2nc(-c3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3Cl)oc2cc1C ZINC000000678118 568460794 /nfs/dbraw/zinc/46/07/94/568460794.db2.gz WUYOTOLCXUAPAV-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)oc2c(C)c1 ZINC000000678130 568460921 /nfs/dbraw/zinc/46/09/21/568460921.db2.gz FIDQTATUDKWGID-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1noc(/C=C/c2ccc(-c3cc(C)c(C)cc3Br)o2)c1[N+](=O)[O-] ZINC000000679229 568460796 /nfs/dbraw/zinc/46/07/96/568460796.db2.gz RJKFNPMGNIMMKU-FNORWQNLSA-N 0 0 403.232 5.701 50 5 HKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000000689242 568461345 /nfs/dbraw/zinc/46/13/45/568461345.db2.gz ZDDIXNAAXXECPC-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000690662 568461931 /nfs/dbraw/zinc/46/19/31/568461931.db2.gz WVFUIELGSLKART-QHCPKHFHSA-N 0 0 420.490 5.062 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000690663 568461820 /nfs/dbraw/zinc/46/18/20/568461820.db2.gz WVFUIELGSLKART-HSZRJFAPSA-N 0 0 420.490 5.062 50 5 HKBARN O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1F ZINC000000691691 557060670 /nfs/dbraw/zinc/06/06/70/557060670.db2.gz DLWWXNCKLDCKBJ-UHFFFAOYSA-N 0 0 414.465 5.201 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000000695927 568461825 /nfs/dbraw/zinc/46/18/25/568461825.db2.gz XBOZLAZHSVSXAM-UHFFFAOYSA-N 0 0 419.462 5.441 50 5 HKBARN O=C(Nc1cc(Cl)ccc1Cl)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000696008 568461835 /nfs/dbraw/zinc/46/18/35/568461835.db2.gz BTUSABFUELLBSC-UHFFFAOYSA-N 0 0 401.658 6.022 50 5 HKBARN O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc2ccccc2c1 ZINC000000704727 568462778 /nfs/dbraw/zinc/46/27/78/568462778.db2.gz IPBZQMRGOBJNBB-UHFFFAOYSA-N 0 0 410.385 5.341 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)sc2c1 ZINC000000705649 568463450 /nfs/dbraw/zinc/46/34/50/568463450.db2.gz KRBKTVJQNBXBOV-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2)cc1[N+](=O)[O-] ZINC000000706543 568463535 /nfs/dbraw/zinc/46/35/35/568463535.db2.gz JYHYSJJRRVKACV-UHFFFAOYSA-N 0 0 422.444 5.852 50 5 HKBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)c(OC)c1 ZINC000000706783 568462835 /nfs/dbraw/zinc/46/28/35/568462835.db2.gz UBRSXHNEYQNTAT-HXUWFJFHSA-N 0 0 402.450 5.261 50 5 HKBARN COc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)c(OC)c1 ZINC000000706784 568462794 /nfs/dbraw/zinc/46/27/94/568462794.db2.gz UBRSXHNEYQNTAT-FQEVSTJZSA-N 0 0 402.450 5.261 50 5 HKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1cccc(C(=O)OC)c1 ZINC000000706916 557064249 /nfs/dbraw/zinc/06/42/49/557064249.db2.gz BWCAPDVZAVXNQI-UHFFFAOYSA-N 0 0 400.434 5.095 50 5 HKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(C(=O)OC)cc1 ZINC000000706917 557064228 /nfs/dbraw/zinc/06/42/28/557064228.db2.gz QKWQXRCUPYSUFN-UHFFFAOYSA-N 0 0 400.434 5.095 50 5 HKBARN COc1cc(Br)c(-c2cc3c(ccc4ccccc43)oc2=O)cc1OC ZINC000000708662 557065253 /nfs/dbraw/zinc/06/52/53/557065253.db2.gz BEDXZYMQJPDWLS-UHFFFAOYSA-N 0 0 411.251 5.393 50 5 HKBARN COc1cc(-c2cc(-c3ccccc3)c3c(ccc4ncccc43)n2)cc(OC)c1O ZINC000000709847 568463611 /nfs/dbraw/zinc/46/36/11/568463611.db2.gz NGEXERYRHTXCJO-UHFFFAOYSA-N 0 0 408.457 5.840 50 5 HKBARN Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000000712445 568464741 /nfs/dbraw/zinc/46/47/41/568464741.db2.gz USBOEYXHDVCVGO-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000000713417 568464807 /nfs/dbraw/zinc/46/48/07/568464807.db2.gz KNTXUFXIPSVQBE-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Br)cc1 ZINC000000713669 132231437 /nfs/dbraw/zinc/23/14/37/132231437.db2.gz DEHYNLGQESJEBU-IBGZPJMESA-N 0 0 424.254 5.128 50 5 HKBARN O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Br)cc1 ZINC000000713670 132231475 /nfs/dbraw/zinc/23/14/75/132231475.db2.gz DEHYNLGQESJEBU-LJQANCHMSA-N 0 0 424.254 5.128 50 5 HKBARN CC(=O)CCc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)cc1 ZINC000000717173 568465864 /nfs/dbraw/zinc/46/58/64/568465864.db2.gz FXUBTHBFHGYNME-UHFFFAOYSA-N 0 0 418.405 5.267 50 5 HKBARN O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3cccc(Cl)c3Cl)c21 ZINC000000717204 568464818 /nfs/dbraw/zinc/46/48/18/568464818.db2.gz NHZLFIWKHPQWOZ-UHFFFAOYSA-N 0 0 417.204 6.052 50 5 HKBARN O=[N+]([O-])C[C@H](c1c2ccccc2[nH]c1-c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000000723781 568466239 /nfs/dbraw/zinc/46/62/39/568466239.db2.gz YJJJEFFYMCVNAN-SFHVURJKSA-N 0 0 420.852 5.626 50 5 HKBARN O=[N+]([O-])C[C@@H](c1c2ccccc2[nH]c1-c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000000723782 568466262 /nfs/dbraw/zinc/46/62/62/568466262.db2.gz YJJJEFFYMCVNAN-GOSISDBHSA-N 0 0 420.852 5.626 50 5 HKBARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000725253 568466190 /nfs/dbraw/zinc/46/61/90/568466190.db2.gz NBRFQKZLHBATTI-QFIPXVFZSA-N 0 0 400.478 5.465 50 5 HKBARN Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000000725254 568466249 /nfs/dbraw/zinc/46/62/49/568466249.db2.gz NBRFQKZLHBATTI-JOCHJYFZSA-N 0 0 400.478 5.465 50 5 HKBARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000725391 568466069 /nfs/dbraw/zinc/46/60/69/568466069.db2.gz DPLMDFABIMRVBV-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)nc2c1 ZINC000000725614 568466108 /nfs/dbraw/zinc/46/61/08/568466108.db2.gz CWPOYUKURRGGFL-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000000725617 568466188 /nfs/dbraw/zinc/46/61/88/568466188.db2.gz DSDTWQBYNHELSE-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)ccc1[N+](=O)[O-] ZINC000000725619 568466198 /nfs/dbraw/zinc/46/61/98/568466198.db2.gz UYBLOOFJCWWYOQ-UHFFFAOYSA-N 0 0 423.428 6.117 50 5 HKBARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000725650 568466276 /nfs/dbraw/zinc/46/62/76/568466276.db2.gz RSOCLAHJZKIIPA-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1[N+](=O)[O-] ZINC000000725669 568466110 /nfs/dbraw/zinc/46/61/10/568466110.db2.gz KFAVTCOUNVKAPK-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN CCc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1 ZINC000000725971 568466202 /nfs/dbraw/zinc/46/62/02/568466202.db2.gz JDYDJHMJSFIISL-UHFFFAOYSA-N 0 0 401.422 5.526 50 5 HKBARN Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1[N+](=O)[O-] ZINC000000726887 568466067 /nfs/dbraw/zinc/46/60/67/568466067.db2.gz YESWNBQFPGTURR-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000000726935 568466751 /nfs/dbraw/zinc/46/67/51/568466751.db2.gz JEOFWOHTZYDLKM-UHFFFAOYSA-N 0 0 401.422 5.336 50 5 HKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000728441 568466197 /nfs/dbraw/zinc/46/61/97/568466197.db2.gz AGAHPZJZRXLWSO-UHFFFAOYSA-N 0 0 410.188 5.256 50 5 HKBARN O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000000752007 568470745 /nfs/dbraw/zinc/47/07/45/568470745.db2.gz FDKOBJYWDHAPNM-UHFFFAOYSA-N 0 0 406.463 5.018 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000000752629 568470686 /nfs/dbraw/zinc/47/06/86/568470686.db2.gz VBVCXTLQWHMRFZ-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)sc2c1 ZINC000000753132 568471599 /nfs/dbraw/zinc/47/15/99/568471599.db2.gz UPXJQAAVKXBDQJ-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000000754109 568470780 /nfs/dbraw/zinc/47/07/80/568470780.db2.gz HFUPURARYIVCCE-UHFFFAOYSA-N 0 0 411.417 5.253 50 5 HKBARN O=[N+]([O-])c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)cc1 ZINC000000754696 568470562 /nfs/dbraw/zinc/47/05/62/568470562.db2.gz VSBKRJFEDNPVNO-UHFFFAOYSA-N 0 0 407.429 6.579 50 5 HKBARN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000000755516 568472455 /nfs/dbraw/zinc/47/24/55/568472455.db2.gz DTPGLRQSQPDHOL-UHFFFAOYSA-N 0 0 417.465 5.397 50 5 HKBARN O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000000783159 568475767 /nfs/dbraw/zinc/47/57/67/568475767.db2.gz MMHGYEPZAXAWCK-UHFFFAOYSA-N 0 0 407.476 5.608 50 5 aggregator HKBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc2ccccc2c1 ZINC000000787711 568477584 /nfs/dbraw/zinc/47/75/84/568477584.db2.gz ZXQQQYHBAKDVCZ-UHFFFAOYSA-N 0 0 410.385 5.341 50 5 HKBARN Cc1ccc(C)c(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc32)c1 ZINC000000793827 568478437 /nfs/dbraw/zinc/47/84/37/568478437.db2.gz LVZPBZAAEZJGFZ-UHFFFAOYSA-N 0 0 405.841 5.231 50 5 HKBARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000797339 568478591 /nfs/dbraw/zinc/47/85/91/568478591.db2.gz PJIUDMJOSALMDN-UHFFFAOYSA-N 0 0 405.797 5.078 50 5 aggregator HKBARN Cc1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000000799659 568478587 /nfs/dbraw/zinc/47/85/87/568478587.db2.gz FOBVSAMPFBXORL-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000000817487 568490137 /nfs/dbraw/zinc/49/01/37/568490137.db2.gz PTSBVAHRBOZMFT-UHFFFAOYSA-N 0 0 419.462 5.523 50 5 HKBARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1[N+](=O)[O-] ZINC000000822088 568497787 /nfs/dbraw/zinc/49/77/87/568497787.db2.gz RUMJUFNJZVOXDK-UHFFFAOYSA-N 0 0 419.462 5.441 50 5 HKBARN Cc1cc(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000000822243 568497872 /nfs/dbraw/zinc/49/78/72/568497872.db2.gz DMKOEMPXWNLDOM-UHFFFAOYSA-N 0 0 413.437 5.085 50 5 HKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000822712 568497813 /nfs/dbraw/zinc/49/78/13/568497813.db2.gz QMCKCBDYDUTOCO-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000823296 568498672 /nfs/dbraw/zinc/49/86/72/568498672.db2.gz HNWIQTFCUIQREX-UHFFFAOYSA-N 0 0 411.417 5.253 50 5 HKBARN Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)ccc1[N+](=O)[O-] ZINC000000824624 568499099 /nfs/dbraw/zinc/49/90/99/568499099.db2.gz BGFAFMYBGNTUNO-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000000824701 568497939 /nfs/dbraw/zinc/49/79/39/568497939.db2.gz OIYNIULYIODNSU-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1cc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)ccc1[N+](=O)[O-] ZINC000000824707 568497953 /nfs/dbraw/zinc/49/79/53/568497953.db2.gz NZBAMWBISABQAT-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] ZINC000000824717 568497998 /nfs/dbraw/zinc/49/79/98/568497998.db2.gz CMDJQHHFCYUHLQ-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000000825303 568498666 /nfs/dbraw/zinc/49/86/66/568498666.db2.gz QWMVVJNHZZEJKU-QFIPXVFZSA-N 0 0 400.478 5.465 50 5 HKBARN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000000825304 568498680 /nfs/dbraw/zinc/49/86/80/568498680.db2.gz QWMVVJNHZZEJKU-JOCHJYFZSA-N 0 0 400.478 5.465 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)oc2c(C)c1 ZINC000000826433 568499244 /nfs/dbraw/zinc/49/92/44/568499244.db2.gz IMXHUZQJEMDWTM-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)nc2c1 ZINC000000826448 568497969 /nfs/dbraw/zinc/49/79/69/568497969.db2.gz RHXUPFRGZDFMQB-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000000826451 568499266 /nfs/dbraw/zinc/49/92/66/568499266.db2.gz HJAJGPYMULXKDJ-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc2sc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 ZINC000000826456 568497918 /nfs/dbraw/zinc/49/79/18/568497918.db2.gz FQDZLXCBDNDFEA-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc1[N+](=O)[O-] ZINC000000826472 568497941 /nfs/dbraw/zinc/49/79/41/568497941.db2.gz LPALYTFUSXGHSN-UHFFFAOYSA-N 0 0 417.421 5.281 50 5 HKBARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000000826572 568499240 /nfs/dbraw/zinc/49/92/40/568499240.db2.gz LXXQLWKKAIMZJP-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1[N+](=O)[O-] ZINC000000826574 568499211 /nfs/dbraw/zinc/49/92/11/568499211.db2.gz FISVQTMQVQBALI-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN O=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000000826954 568497903 /nfs/dbraw/zinc/49/79/03/568497903.db2.gz MKHUZHGXTGTBRO-UHFFFAOYSA-N 0 0 413.458 5.542 50 5 HKBARN Cc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc32)c(C)c1 ZINC000000826983 568497902 /nfs/dbraw/zinc/49/79/02/568497902.db2.gz KDBBBAZYDLZSBZ-UHFFFAOYSA-N 0 0 405.841 5.231 50 5 HKBARN Cc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1C ZINC000000826985 568499381 /nfs/dbraw/zinc/49/93/81/568499381.db2.gz VZPPUQGTLXTTAP-UHFFFAOYSA-N 0 0 405.841 5.231 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000000827397 568498006 /nfs/dbraw/zinc/49/80/06/568498006.db2.gz FBRBOULDAQEOMS-UHFFFAOYSA-N 0 0 406.442 5.274 50 5 HKBARN Cc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000000827811 132233953 /nfs/dbraw/zinc/23/39/53/132233953.db2.gz QUGWXZAUQVDHNP-UTKZUKDTSA-N 0 0 401.466 5.495 50 5 HKBARN Cc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000000827812 132233958 /nfs/dbraw/zinc/23/39/58/132233958.db2.gz QUGWXZAUQVDHNP-UWJYYQICSA-N 0 0 401.466 5.495 50 5 HKBARN Cc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000000827813 132233927 /nfs/dbraw/zinc/23/39/27/132233927.db2.gz QUGWXZAUQVDHNP-DYESRHJHSA-N 0 0 401.466 5.495 50 5 HKBARN Cc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000000827814 132233973 /nfs/dbraw/zinc/23/39/73/132233973.db2.gz QUGWXZAUQVDHNP-LAUBAEHRSA-N 0 0 401.466 5.495 50 5 HKBARN O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl ZINC000000828574 568500219 /nfs/dbraw/zinc/50/02/19/568500219.db2.gz RAFOXAAWRHWFDX-UHFFFAOYSA-N 0 0 424.865 6.508 50 5 HKBARN Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)ccc1[N+](=O)[O-] ZINC000000830084 568502216 /nfs/dbraw/zinc/50/22/16/568502216.db2.gz NRUPJCOADFJZCX-UHFFFAOYSA-N 0 0 405.435 5.138 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1[N+](=O)[O-] ZINC000000830101 568502214 /nfs/dbraw/zinc/50/22/14/568502214.db2.gz FHGIYKZDHZKFAJ-UHFFFAOYSA-N 0 0 414.417 5.237 50 5 biogenic,in-vitro HKBARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1 ZINC000000830423 568503577 /nfs/dbraw/zinc/50/35/77/568503577.db2.gz WTFHIBBSVGRWKJ-UHFFFAOYSA-N 0 0 405.410 5.546 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000000830424 568502198 /nfs/dbraw/zinc/50/21/98/568502198.db2.gz OOTLIRYJKRHPOQ-UHFFFAOYSA-N 0 0 418.192 5.555 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000000830425 568503704 /nfs/dbraw/zinc/50/37/04/568503704.db2.gz HPAMIWQIFQIVAN-UHFFFAOYSA-N 0 0 418.192 5.555 50 5 HKBARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000834104 568501601 /nfs/dbraw/zinc/50/16/01/568501601.db2.gz JHSDJVHOSRGTEH-UHFFFAOYSA-N 0 0 415.232 5.385 50 5 HKBARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] ZINC000000840607 568521533 /nfs/dbraw/zinc/52/15/33/568521533.db2.gz PYJGXIPTCOVLHF-UHFFFAOYSA-N 0 0 401.447 5.638 50 5 HKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000841484 568612546 /nfs/dbraw/zinc/61/25/46/568612546.db2.gz QRANJWSFLVEDRA-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN O=c1c2cccc3c(-c4ncc(-c5ccccc5)o4)ccc(c4nc5ccccc5n41)c32 ZINC000000842177 568688604 /nfs/dbraw/zinc/68/86/04/568688604.db2.gz WVKQDAHQZZTTRC-UHFFFAOYSA-N 0 0 413.436 5.914 50 5 HKBARN O=c1oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c2ccccc12 ZINC000000842814 557098400 /nfs/dbraw/zinc/09/84/00/557098400.db2.gz HAEMDOWYAGVORK-UHFFFAOYSA-N 0 0 401.296 5.666 50 5 HKBARN Cc1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1Oc1ccccc1 ZINC000000842833 568530470 /nfs/dbraw/zinc/53/04/70/568530470.db2.gz NYPCVDPBWPQBNI-UHFFFAOYSA-N 0 0 403.390 5.381 50 5 HKBARN O=[N+]([O-])c1cccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)c1 ZINC000000843943 568698979 /nfs/dbraw/zinc/69/89/79/568698979.db2.gz YBRKPLNODMVEGC-UHFFFAOYSA-N 0 0 421.254 5.711 50 5 HKBARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)cc12 ZINC000000845778 568549403 /nfs/dbraw/zinc/54/94/03/568549403.db2.gz XSFJQFNXOLVQRP-UHFFFAOYSA-N 0 0 406.467 5.173 50 5 HKBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccc(-c3ccccc3)cc2)s1 ZINC000000846841 568548896 /nfs/dbraw/zinc/54/88/96/568548896.db2.gz FEXMDGWXBJQXTD-UHFFFAOYSA-N 0 0 416.462 5.220 50 5 HKBARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000000848271 568554835 /nfs/dbraw/zinc/55/48/35/568554835.db2.gz YEDLBWGQVTXRPL-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 HKBARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000000848272 568552685 /nfs/dbraw/zinc/55/26/85/568552685.db2.gz QHKIYGKHZDPGPR-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 HKBARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000000848275 568552873 /nfs/dbraw/zinc/55/28/73/568552873.db2.gz OQZGYZJXJBTGJI-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 HKBARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000000848276 568552810 /nfs/dbraw/zinc/55/28/10/568552810.db2.gz GWUYZEFDOOSMPZ-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 HKBARN Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000000849435 568710751 /nfs/dbraw/zinc/71/07/51/568710751.db2.gz PFMZYGMDRJSMGG-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccc2ccccc21 ZINC000000850661 568712071 /nfs/dbraw/zinc/71/20/71/568712071.db2.gz IKFZPKQHYURCER-UHFFFAOYSA-N 0 0 410.385 5.341 50 5 HKBARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000851387 568712263 /nfs/dbraw/zinc/71/22/63/568712263.db2.gz KNPYDCNIIXEHGU-UHFFFAOYSA-N 0 0 415.232 5.385 50 5 HKBARN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000000851439 568711801 /nfs/dbraw/zinc/71/18/01/568711801.db2.gz ULICJZRSRVLCHG-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 HKBARN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cccc([N+](=O)[O-])c1 ZINC000000851440 568711944 /nfs/dbraw/zinc/71/19/44/568711944.db2.gz ZPDUJXFDPDLESN-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 HKBARN O=C(Nc1nc(-c2ccccc2)cs1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000852657 568712610 /nfs/dbraw/zinc/71/26/10/568712610.db2.gz KYUYJAWTBALJPD-UHFFFAOYSA-N 0 0 415.883 5.839 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000854357 526714578 /nfs/dbraw/zinc/71/45/78/526714578.db2.gz UJFQJRZFUVXOHV-UHFFFAOYSA-N 0 0 416.380 6.057 50 5 biogenic HKBARN O=C(c1cccc([N+](=O)[O-])c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000854358 526778656 /nfs/dbraw/zinc/77/86/56/526778656.db2.gz UKWQBAZOXICXNG-UHFFFAOYSA-N 0 0 416.380 6.057 50 5 biogenic HKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000854731 568712667 /nfs/dbraw/zinc/71/26/67/568712667.db2.gz HWJPVAWZLVCSPO-UHFFFAOYSA-N 0 0 410.188 5.256 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000854732 568711569 /nfs/dbraw/zinc/71/15/69/568711569.db2.gz JBCHFGSJUMMYKC-UHFFFAOYSA-N 0 0 422.224 5.126 50 5 HKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000854733 568711522 /nfs/dbraw/zinc/71/15/22/568711522.db2.gz SZRKLJNDARQOTE-UHFFFAOYSA-N 0 0 406.225 5.426 50 5 HKBARN COc1cccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)c1OC ZINC000000860665 568713454 /nfs/dbraw/zinc/71/34/54/568713454.db2.gz WHOAREPZVDFRMD-UHFFFAOYSA-N 0 0 415.449 5.645 50 5 HKBARN O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(Br)cc1 ZINC000000868206 568725044 /nfs/dbraw/zinc/72/50/44/568725044.db2.gz YYTKZYZVGLWBAU-UHFFFAOYSA-N 0 0 422.238 5.760 50 5 HKBARN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccccc1[N+](=O)[O-] ZINC000000873075 568726344 /nfs/dbraw/zinc/72/63/44/568726344.db2.gz IYVLSCPUVJOQGP-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 HKBARN CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000000877679 568726375 /nfs/dbraw/zinc/72/63/75/568726375.db2.gz RQRBCPDXWUZTSS-UHFFFAOYSA-N 0 0 401.875 5.577 50 5 HKBARN O=C(Nc1cccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)c1)c1ccccc1 ZINC000000888691 568736962 /nfs/dbraw/zinc/73/69/62/568736962.db2.gz DYYNVKNIWVTBPB-UHFFFAOYSA-N 0 0 416.462 5.714 50 5 HKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000000888925 568739805 /nfs/dbraw/zinc/73/98/05/568739805.db2.gz XUQODCUAOKDYKC-NRFANRHFSA-N 0 0 402.450 5.261 50 5 HKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000000888927 568739790 /nfs/dbraw/zinc/73/97/90/568739790.db2.gz XUQODCUAOKDYKC-OAQYLSRUSA-N 0 0 402.450 5.261 50 5 HKBARN O=C(Nc1ccc(Br)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000894461 568742528 /nfs/dbraw/zinc/74/25/28/568742528.db2.gz LHGHSFRWEFYXGF-UHFFFAOYSA-N 0 0 413.227 5.402 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 ZINC000000934711 568751652 /nfs/dbraw/zinc/75/16/52/568751652.db2.gz BJGQAAKCHVQAQC-WIYYLYMNSA-N 0 0 409.829 5.392 50 5 HKBARN Cc1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000000937380 568750913 /nfs/dbraw/zinc/75/09/13/568750913.db2.gz XMJVECAKQBNJKB-UHFFFAOYSA-N 0 0 408.266 5.586 50 5 HKBARN CCOc1ccccc1-c1csc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000000937382 568750964 /nfs/dbraw/zinc/75/09/64/568750964.db2.gz UVFRILQURWAVGL-UHFFFAOYSA-N 0 0 403.847 5.023 50 5 HKBARN Cc1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1-c1cccc(Cl)c1 ZINC000000937385 568751844 /nfs/dbraw/zinc/75/18/44/568751844.db2.gz IFJFKVQMQLHFGM-UHFFFAOYSA-N 0 0 408.266 5.586 50 5 HKBARN COc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccc(C)cc2)cc1OC ZINC000000939127 525362236 /nfs/dbraw/zinc/36/22/36/525362236.db2.gz CBXYSELUFFUTQX-FQEVSTJZSA-N 0 0 416.477 5.569 50 5 HKBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccc(C)cc2)cc1OC ZINC000000939128 568752561 /nfs/dbraw/zinc/75/25/61/568752561.db2.gz CBXYSELUFFUTQX-HXUWFJFHSA-N 0 0 416.477 5.569 50 5 HKBARN O=C(c1ccc(Br)cc1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000939667 568750961 /nfs/dbraw/zinc/75/09/61/568750961.db2.gz LRDPBYBCKJULJZ-UHFFFAOYSA-N 0 0 411.255 5.204 50 5 HKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc2c(c1)OCCO2 ZINC000000940234 568753075 /nfs/dbraw/zinc/75/30/75/568753075.db2.gz DIFUYJONLYHRCI-UHFFFAOYSA-N 0 0 400.434 5.080 50 5 HKBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(c1ccccc1)c1ccccc1 ZINC000000940902 568753074 /nfs/dbraw/zinc/75/30/74/568753074.db2.gz OLVIQCWFOQREKP-UHFFFAOYSA-N 0 0 415.474 5.489 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)sc2c1 ZINC000000942628 568752919 /nfs/dbraw/zinc/75/29/19/568752919.db2.gz XBLJWEVFPFIOHF-UHFFFAOYSA-N 0 0 419.462 5.197 50 5 HKBARN Cc1cccc(Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)c1 ZINC000000942758 568752922 /nfs/dbraw/zinc/75/29/22/568752922.db2.gz QSCARPCYOAAKAU-UHFFFAOYSA-N 0 0 417.373 5.021 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000000943703 568752918 /nfs/dbraw/zinc/75/29/18/568752918.db2.gz NJCFPNLASRZDTR-UHFFFAOYSA-N 0 0 404.466 5.247 50 5 HKBARN O=C(c1ccccc1Br)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000945281 568752904 /nfs/dbraw/zinc/75/29/04/568752904.db2.gz YVVSXGNSQYYASY-UHFFFAOYSA-N 0 0 411.255 5.204 50 5 HKBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)cc1OC ZINC000000945470 568754483 /nfs/dbraw/zinc/75/44/83/568754483.db2.gz CIRDTDNYDILTSP-LJQANCHMSA-N 0 0 402.450 5.261 50 5 HKBARN COc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)cc1OC ZINC000000945471 568754517 /nfs/dbraw/zinc/75/45/17/568754517.db2.gz CIRDTDNYDILTSP-IBGZPJMESA-N 0 0 402.450 5.261 50 5 HKBARN COc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3n(C)c2-c2ccccc2)cc1OC ZINC000000946565 568754552 /nfs/dbraw/zinc/75/45/52/568754552.db2.gz GHTLSESRJCWLKR-FQEVSTJZSA-N 0 0 416.477 5.271 50 5 HKBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3n(C)c2-c2ccccc2)cc1OC ZINC000000946566 568754555 /nfs/dbraw/zinc/75/45/55/568754555.db2.gz GHTLSESRJCWLKR-HXUWFJFHSA-N 0 0 416.477 5.271 50 5 HKBARN O=C(Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000000947022 568754686 /nfs/dbraw/zinc/75/46/86/568754686.db2.gz SFJNPPUYSCIFLB-UHFFFAOYSA-N 0 0 421.792 5.241 50 5 HKBARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(Br)c1 ZINC000000950999 568757104 /nfs/dbraw/zinc/75/71/04/568757104.db2.gz VACOXFICQAUBQZ-PKNBQFBNSA-N 0 0 413.227 5.269 50 5 HKBARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1Br ZINC000000951005 568757098 /nfs/dbraw/zinc/75/70/98/568757098.db2.gz CAMQQIGINDFRFC-ZRDIBKRKSA-N 0 0 413.227 5.269 50 5 HKBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1CCc1ccccc1 ZINC000000953138 568756926 /nfs/dbraw/zinc/75/69/26/568756926.db2.gz ZXNKFOSAOUDCTP-UHFFFAOYSA-N 0 0 403.463 5.242 50 5 HKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(OC)c(OC)c1 ZINC000000953641 568758543 /nfs/dbraw/zinc/75/85/43/568758543.db2.gz CUEHJKKSOCXWBO-UHFFFAOYSA-N 0 0 402.450 5.326 50 5 HKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(OC)cc1OC ZINC000000953642 568758588 /nfs/dbraw/zinc/75/85/88/568758588.db2.gz YFYFFVPSJADJRG-UHFFFAOYSA-N 0 0 402.450 5.326 50 5 HKBARN COc1cc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1 ZINC000000953843 568758584 /nfs/dbraw/zinc/75/85/84/568758584.db2.gz KVDQGPPXHZVOKL-JLHYYAGUSA-N 0 0 418.449 5.143 50 5 HKBARN Cc1ccc(Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 ZINC000000954162 568758538 /nfs/dbraw/zinc/75/85/38/568758538.db2.gz NFWPTKQGNNNCAF-UHFFFAOYSA-N 0 0 417.373 5.021 50 5 HKBARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)c1cccc([N+](=O)[O-])c1 ZINC000000955547 568756950 /nfs/dbraw/zinc/75/69/50/568756950.db2.gz IDOYHQYRUVHVKV-UHFFFAOYSA-N 0 0 407.476 5.242 50 5 HKBARN Cc1ccc(-c2csc3ncnc(SCC(=O)c4cccc([N+](=O)[O-])c4)c23)cc1 ZINC000000955552 568756948 /nfs/dbraw/zinc/75/69/48/568756948.db2.gz NHGIZJDDMMZDMX-UHFFFAOYSA-N 0 0 421.503 5.550 50 5 HKBARN Cc1ccc(Oc2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 ZINC000000957180 568756887 /nfs/dbraw/zinc/75/68/87/568756887.db2.gz GEQRRHLTHDZBKX-UHFFFAOYSA-N 0 0 403.390 5.381 50 5 HKBARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000957908 568756915 /nfs/dbraw/zinc/75/69/15/568756915.db2.gz ZEZANJPJWRDALD-LBPRGKRZSA-N 0 0 417.874 5.086 50 5 HKBARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000957909 568756924 /nfs/dbraw/zinc/75/69/24/568756924.db2.gz ZEZANJPJWRDALD-GFCCVEGCSA-N 0 0 417.874 5.086 50 5 HKBARN Cc1cc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(C)c1Cl ZINC000000957916 568756945 /nfs/dbraw/zinc/75/69/45/568756945.db2.gz IQQWNFVNHXKBHI-UHFFFAOYSA-N 0 0 417.874 5.006 50 5 HKBARN CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000957920 568756968 /nfs/dbraw/zinc/75/69/68/568756968.db2.gz IHVPEXITRUAEDT-UHFFFAOYSA-N 0 0 411.483 5.033 50 5 HKBARN COc1ccc(CCn2c3c(c(=S)nc2-c2ccc([N+](=O)[O-])cc2)CCCC3)cc1 ZINC000000958919 568756919 /nfs/dbraw/zinc/75/69/19/568756919.db2.gz RDTYXOFWWXAVQL-UHFFFAOYSA-N 0 0 421.522 5.318 50 5 HKBARN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)CCc1ccccc1 ZINC000000959473 568756880 /nfs/dbraw/zinc/75/68/80/568756880.db2.gz BVHARXFRPKVTGP-UHFFFAOYSA-N 0 0 424.478 5.071 50 5 HKBARN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C1CCCCC1 ZINC000000959484 568756906 /nfs/dbraw/zinc/75/69/06/568756906.db2.gz DRUIZNXKHLVTGP-UHFFFAOYSA-N 0 0 402.472 5.019 50 5 HKBARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000959523 568758266 /nfs/dbraw/zinc/75/82/66/568758266.db2.gz REUMYMDVTHQBED-UHFFFAOYSA-N 0 0 410.451 5.061 50 5 HKBARN Cc1cc(C(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)ccc1[N+](=O)[O-] ZINC000000959530 568756932 /nfs/dbraw/zinc/75/69/32/568756932.db2.gz QWGAUHZWXHPUMT-UHFFFAOYSA-N 0 0 410.813 5.028 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000000970786 568758968 /nfs/dbraw/zinc/75/89/68/568758968.db2.gz IAASVMXGURCTEI-NYYWCZLTSA-N 0 0 419.824 5.708 50 5 HKBARN O=c1[nH]c2c(sc3nc(-c4cccs4)cc(C(F)(F)F)c32)c2ccccc12 ZINC000000975541 557128631 /nfs/dbraw/zinc/12/86/31/557128631.db2.gz ROXPFBDGRVXEMD-UHFFFAOYSA-N 0 0 402.422 6.038 50 5 HKBARN O=C(O[C@H](c1ccc(Cl)cc1)[C@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000984520 568760165 /nfs/dbraw/zinc/76/01/65/568760165.db2.gz FINLGLKBPUVPPK-UXHICEINSA-N 0 0 423.808 5.058 50 5 HKBARN O=C(O[C@H](c1ccc(Cl)cc1)[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000984521 568760185 /nfs/dbraw/zinc/76/01/85/568760185.db2.gz FINLGLKBPUVPPK-WOJBJXKFSA-N 0 0 423.808 5.058 50 5 HKBARN O=C(O[C@@H](c1ccc(Cl)cc1)[C@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000984522 568760156 /nfs/dbraw/zinc/76/01/56/568760156.db2.gz FINLGLKBPUVPPK-PMACEKPBSA-N 0 0 423.808 5.058 50 5 HKBARN O=C(O[C@@H](c1ccc(Cl)cc1)[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000984523 568760153 /nfs/dbraw/zinc/76/01/53/568760153.db2.gz FINLGLKBPUVPPK-VQTJNVASSA-N 0 0 423.808 5.058 50 5 HKBARN COc1ccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 ZINC000000984797 557131845 /nfs/dbraw/zinc/13/18/45/557131845.db2.gz ODKDOMCOGSZFOA-UHFFFAOYSA-N 0 0 400.459 5.822 50 5 HKBARN Cc1cc(C(=O)Nc2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)ccc1[N+](=O)[O-] ZINC000000989429 568760894 /nfs/dbraw/zinc/76/08/94/568760894.db2.gz FRJRATLBRFFTMG-UHFFFAOYSA-N 0 0 421.840 5.541 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000000989466 568760195 /nfs/dbraw/zinc/76/01/95/568760195.db2.gz JMELYKKZZLNDSJ-UHFFFAOYSA-N 0 0 409.401 5.809 50 5 HKBARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000000989578 568760175 /nfs/dbraw/zinc/76/01/75/568760175.db2.gz PUZJXRVGSFOKET-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1[N+](=O)[O-] ZINC000000989598 568760335 /nfs/dbraw/zinc/76/03/35/568760335.db2.gz WUPUWZXJODODPK-UHFFFAOYSA-N 0 0 417.421 5.362 50 5 HKBARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000989732 568760349 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O=C(Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)c1cc2ccccc2oc1=O ZINC000000993828 568760804 /nfs/dbraw/zinc/76/08/04/568760804.db2.gz SYSIBOJRIWDLFY-UHFFFAOYSA-N 0 0 418.430 5.105 50 5 HKBARN Cc1cccc(-c2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3ccccc3n2)c1 ZINC000000994481 568759801 /nfs/dbraw/zinc/75/98/01/568759801.db2.gz UCZWGXZXMICHEY-UHFFFAOYSA-N 0 0 401.397 5.510 50 5 HKBARN O=c1oc2ccc3ccccc3c2cc1-c1cn(-c2ccc(Cl)cc2)c(=S)[nH]1 ZINC000000994900 557137408 /nfs/dbraw/zinc/13/74/08/557137408.db2.gz DQXZCGSOYDYWKJ-UHFFFAOYSA-N 0 0 404.878 6.115 50 5 HKBARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1C ZINC000000995044 568759832 /nfs/dbraw/zinc/75/98/32/568759832.db2.gz ALKWOAMKYZWVSN-UHFFFAOYSA-N 0 0 411.461 5.988 50 5 HKBARN COc1cccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)c1 ZINC000000995067 568759815 /nfs/dbraw/zinc/75/98/15/568759815.db2.gz PNUCDCWSYYNHQI-UHFFFAOYSA-N 0 0 413.433 5.379 50 5 HKBARN Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 ZINC000000995661 568759840 /nfs/dbraw/zinc/75/98/40/568759840.db2.gz SYLTWZCDNLVHLO-UHFFFAOYSA-N 0 0 411.461 5.988 50 5 HKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000000995668 568759860 /nfs/dbraw/zinc/75/98/60/568759860.db2.gz YMFKFBDWQMOPCE-UHFFFAOYSA-N 0 0 403.825 5.716 50 5 HKBARN Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000000995717 568759836 /nfs/dbraw/zinc/75/98/36/568759836.db2.gz QGGVZMFEJNFZGQ-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3ccccc3n2)cc1C ZINC000000995744 568759824 /nfs/dbraw/zinc/75/98/24/568759824.db2.gz IBMUDIVODNQIEX-UHFFFAOYSA-N 0 0 415.424 5.818 50 5 HKBARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3ccccc3n2)s1 ZINC000000995999 568759845 /nfs/dbraw/zinc/75/98/45/568759845.db2.gz NMOHVVVEUMWONC-UHFFFAOYSA-N 0 0 407.426 5.571 50 5 HKBARN Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-] ZINC000000996367 568759843 /nfs/dbraw/zinc/75/98/43/568759843.db2.gz 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Cc1ccc2c(Cl)c(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1 ZINC000000998445 568759978 /nfs/dbraw/zinc/75/99/78/568759978.db2.gz ZVSBHFUXXDLJNI-UHFFFAOYSA-N 0 0 403.872 5.633 50 5 HKBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000001002278 568761250 /nfs/dbraw/zinc/76/12/50/568761250.db2.gz GZEIGBCUUHINMJ-UHFFFAOYSA-N 0 0 424.265 5.043 50 5 HKBARN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000001003579 568762362 /nfs/dbraw/zinc/76/23/62/568762362.db2.gz BFAVTZSNRXAKIK-IBGZPJMESA-N 0 0 400.434 5.281 50 5 HKBARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000001003580 568762405 /nfs/dbraw/zinc/76/24/05/568762405.db2.gz BFAVTZSNRXAKIK-LJQANCHMSA-N 0 0 400.434 5.281 50 5 HKBARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001009043 568762067 /nfs/dbraw/zinc/76/20/67/568762067.db2.gz HCXPWANQZSSJQF-UHFFFAOYSA-N 0 0 417.248 5.733 50 5 HKBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC(C)C)c1-c1ccccc1 ZINC000001009059 568761165 /nfs/dbraw/zinc/76/11/65/568761165.db2.gz VZDIDDPOHGSHHZ-UHFFFAOYSA-N 0 0 424.478 5.449 50 5 HKBARN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000001009065 568761228 /nfs/dbraw/zinc/76/12/28/568761228.db2.gz WSVNWEGHILZMOG-UHFFFAOYSA-N 0 0 424.478 5.287 50 5 HKBARN CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001009066 568761120 /nfs/dbraw/zinc/76/11/20/568761120.db2.gz YYIMMFWSAHBEMM-UHFFFAOYSA-N 0 0 410.451 5.061 50 5 HKBARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000001009432 568761115 /nfs/dbraw/zinc/76/11/15/568761115.db2.gz LCSMUWGLEIKRTG-UHFFFAOYSA-N 0 0 415.449 5.889 50 5 HKBARN O=C(Nc1cccc(F)c1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000001022878 568763677 /nfs/dbraw/zinc/76/36/77/568763677.db2.gz SGVRBXUBWBSARG-UHFFFAOYSA-N 0 0 420.318 5.797 50 5 HKBARN O=C1c2ccc(-c3ccccc3[N+](=O)[O-])cc2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000001024234 568763651 /nfs/dbraw/zinc/76/36/51/568763651.db2.gz GLHWQDNSXMALOM-UHFFFAOYSA-N 0 0 412.323 5.081 50 5 HKBARN COc1cccc(-c2nnc(-c3cc([N+](=O)[O-])ccc3Oc3cncc(Cl)c3)o2)c1 ZINC000001024929 568763585 /nfs/dbraw/zinc/76/35/85/568763585.db2.gz XRPQIIKHFYBSJC-UHFFFAOYSA-N 0 0 424.800 5.161 50 5 HKBARN COc1cc(-c2cc(-c3ccccc3)c3c(ccc4ncccc43)n2)cc(OC)c1OC ZINC000001027100 568763940 /nfs/dbraw/zinc/76/39/40/568763940.db2.gz BUFKVGWJKOFISK-UHFFFAOYSA-N 0 0 422.484 6.143 50 5 HKBARN Cc1ccc(SC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C(F)(F)F)cc1 ZINC000001027131 568763610 /nfs/dbraw/zinc/76/36/10/568763610.db2.gz LGDXLXYLJITPEZ-UHFFFAOYSA-N 0 0 407.373 5.040 50 5 HKBARN O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000001030927 568764047 /nfs/dbraw/zinc/76/40/47/568764047.db2.gz DVVOTUXKOYRRNA-DEPWHIHDSA-N 0 0 417.509 5.448 50 5 HKBARN COc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000001031195 568764042 /nfs/dbraw/zinc/76/40/42/568764042.db2.gz CHUHDIHFBYCWJM-UHFFFAOYSA-N 0 0 412.254 5.253 50 5 HKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000001033008 568764054 /nfs/dbraw/zinc/76/40/54/568764054.db2.gz AWHSAGYCVOLLNG-UHFFFAOYSA-N 0 0 406.225 5.426 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1)N(c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000001033011 568764083 /nfs/dbraw/zinc/76/40/83/568764083.db2.gz SQGJJGGHSVIPPU-UHFFFAOYSA-N 0 0 409.854 5.836 50 5 HKBARN CCOC(=O)c1c(-c2cccs2)nn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000001035534 568764059 /nfs/dbraw/zinc/76/40/59/568764059.db2.gz YHQHYRZAEYOAGE-UHFFFAOYSA-N 0 0 419.462 5.353 50 5 HKBARN Cn1c(-c2ccc(Cl)cc2)cnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001036030 568764086 /nfs/dbraw/zinc/76/40/86/568764086.db2.gz YVRBYSDJMLZXIH-UHFFFAOYSA-N 0 0 413.808 5.819 50 5 HKBARN Nc1ccccc1Sc1cc(Sc2ccccc2N)c([N+](=O)[O-])cc1Cl ZINC000001037218 568764110 /nfs/dbraw/zinc/76/41/10/568764110.db2.gz MADZGXCBHULZOP-UHFFFAOYSA-N 0 0 403.916 5.715 50 5 HKBARN O=[N+]([O-])c1cc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cs1 ZINC000001039609 568764269 /nfs/dbraw/zinc/76/42/69/568764269.db2.gz SBJPDPZONGEASD-UHFFFAOYSA-N 0 0 409.267 5.411 50 5 HKBARN Cc1cc(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1Cl ZINC000001042660 568764397 /nfs/dbraw/zinc/76/43/97/568764397.db2.gz IQPFZKDZRHIIMS-UHFFFAOYSA-N 0 0 414.188 5.062 50 5 HKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001042691 568764421 /nfs/dbraw/zinc/76/44/21/568764421.db2.gz JJGMDNJHMGALRK-UHFFFAOYSA-N 0 0 407.209 5.222 50 5 HKBARN COc1ccccc1-c1nnc(Sc2sccc2[N+](=O)[O-])n1-c1ccccc1 ZINC000001043254 568764429 /nfs/dbraw/zinc/76/44/29/568764429.db2.gz AOUQPXDZGPBXBD-UHFFFAOYSA-N 0 0 410.480 5.064 50 5 HKBARN Cc1ccc(C(=O)OCc2cn(Cc3ccccc3)c3ccc([N+](=O)[O-])cc23)cc1 ZINC000001043277 568764427 /nfs/dbraw/zinc/76/44/27/568764427.db2.gz VBCIPGULVQLTGB-UHFFFAOYSA-N 0 0 400.434 5.263 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2nc3cc(Cl)ccc3s2)c(C2SCCS2)c1 ZINC000001044540 568764641 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O=C1Nc2ccccc2Oc2cc(Oc3ccc(Cl)cc3Cl)cc([N+](=O)[O-])c21 ZINC000001075426 568767061 /nfs/dbraw/zinc/76/70/61/568767061.db2.gz VWLNBXVRHQVADO-UHFFFAOYSA-N 0 0 417.204 6.052 50 5 HKBARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1[N+](=O)[O-] ZINC000001076931 568765383 /nfs/dbraw/zinc/76/53/83/568765383.db2.gz BEFZNIMJJWUEJP-UHFFFAOYSA-N 0 0 419.462 5.441 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 ZINC000001076986 568765433 /nfs/dbraw/zinc/76/54/33/568765433.db2.gz WMFDORZAJHGLBJ-UHFFFAOYSA-N 0 0 418.478 5.047 50 5 HKBARN CCOc1ccc(-n2c3c(c(=S)nc2-c2cccc([N+](=O)[O-])c2)CCCC3)cc1 ZINC000001077151 568765453 /nfs/dbraw/zinc/76/54/53/568765453.db2.gz PXARBAQFYOVYEI-UHFFFAOYSA-N 0 0 407.495 5.454 50 5 HKBARN COc1ccc(C(=O)c2ccccc2)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000001077871 568765444 /nfs/dbraw/zinc/76/54/44/568765444.db2.gz ZWEXFRMTPQNHDC-UHFFFAOYSA-N 0 0 417.339 5.646 50 5 HKBARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001078068 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COC(=O)c1sc2cc([N+](=O)[O-])cc(Sc3ccccc3)c2c1-n1cccc1 ZINC000001089628 568769121 /nfs/dbraw/zinc/76/91/21/568769121.db2.gz GURQTFFGFNBLRB-UHFFFAOYSA-N 0 0 410.476 5.538 50 5 HKBARN Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 ZINC000001094582 568769320 /nfs/dbraw/zinc/76/93/20/568769320.db2.gz UIXIPUOIUIYZBC-UHFFFAOYSA-N 0 0 414.343 5.448 50 5 HKBARN O=C1Nc2cc(Cl)ccc2Oc2cc([N+](=O)[O-])cc(Oc3ccc(Cl)cc3)c21 ZINC000001097633 568769759 /nfs/dbraw/zinc/76/97/59/568769759.db2.gz DJCUJGNYVOMJNT-UHFFFAOYSA-N 0 0 417.204 6.052 50 5 HKBARN COc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2cc(Cl)ccc2O3)cc1 ZINC000001097646 568769709 /nfs/dbraw/zinc/76/97/09/568769709.db2.gz WGCZASGDUNETGQ-UHFFFAOYSA-N 0 0 412.785 5.407 50 5 HKBARN CC(=O)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001097900 568769718 /nfs/dbraw/zinc/76/97/18/568769718.db2.gz LIPSORNLYXOHMH-QHCPKHFHSA-N 0 0 419.868 5.867 50 5 HKBARN CC(=O)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001097901 568769765 /nfs/dbraw/zinc/76/97/65/568769765.db2.gz LIPSORNLYXOHMH-HSZRJFAPSA-N 0 0 419.868 5.867 50 5 HKBARN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000001098840 568769065 /nfs/dbraw/zinc/76/90/65/568769065.db2.gz GORAJAYRVDQXKA-UHFFFAOYSA-N 0 0 405.357 5.034 50 5 HKBARN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1C[C@H]1CCCO1 ZINC000001099262 557178483 /nfs/dbraw/zinc/17/84/83/557178483.db2.gz IKAARFUSQNQQCZ-OAHLLOKOSA-N 0 0 413.429 5.232 50 5 HKBARN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1C[C@@H]1CCCO1 ZINC000001099263 557178497 /nfs/dbraw/zinc/17/84/97/557178497.db2.gz IKAARFUSQNQQCZ-HNNXBMFYSA-N 0 0 413.429 5.232 50 5 HKBARN CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000001101144 568769894 /nfs/dbraw/zinc/76/98/94/568769894.db2.gz YVGKZXSBDYNKIE-UHFFFAOYSA-N 0 0 407.875 5.171 50 5 HKBARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCCC2 ZINC000001102477 568771668 /nfs/dbraw/zinc/77/16/68/568771668.db2.gz 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Cc1c2c3cc(-c4cccc([N+](=O)[O-])c4)cn3nc(C)c2c(C)n1-c1ccc(C)cc1 ZINC000001106327 568770082 /nfs/dbraw/zinc/77/00/82/568770082.db2.gz YJXSFNOOWGRBIY-UHFFFAOYSA-N 0 0 410.477 6.087 50 5 HKBARN Cc1c2c3cc(-c4cccc([N+](=O)[O-])c4)cn3nc(C)c2c(C)n1Cc1ccccc1 ZINC000001106341 568770113 /nfs/dbraw/zinc/77/01/13/568770113.db2.gz GPYUJENPXQZDNR-UHFFFAOYSA-N 0 0 410.477 5.838 50 5 HKBARN Cc1c2c3cc(-c4ccc([N+](=O)[O-])cc4)cn3nc(C)c2c(C)n1Cc1ccccc1 ZINC000001106342 568770093 /nfs/dbraw/zinc/77/00/93/568770093.db2.gz NZHVVQWOARFJLI-UHFFFAOYSA-N 0 0 410.477 5.838 50 5 HKBARN COc1ccc(Cl)cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000001106961 568768598 /nfs/dbraw/zinc/76/85/98/568768598.db2.gz GOTGHWIXGLCTKF-CPNJWEJPSA-N 0 0 408.841 5.436 50 5 HKBARN COc1ccc(-c2nnc(SCc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 ZINC000001107233 568768618 /nfs/dbraw/zinc/76/86/18/568768618.db2.gz AUCQLVCPXMHDRP-UHFFFAOYSA-N 0 0 418.478 5.143 50 5 HKBARN O=[N+]([O-])c1ccccc1CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1 ZINC000001107234 568768569 /nfs/dbraw/zinc/76/85/69/568768569.db2.gz QGULWEHAKDXFTB-UHFFFAOYSA-N 0 0 406.442 5.274 50 5 HKBARN COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000001107235 568768610 /nfs/dbraw/zinc/76/86/10/568768610.db2.gz VZQUJSZIPOGLAO-UHFFFAOYSA-N 0 0 418.478 5.143 50 5 HKBARN O=[N+]([O-])c1ccc(-n2cccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000001108004 568770298 /nfs/dbraw/zinc/77/02/98/568770298.db2.gz IFQMXQQGNBRQBH-UHFFFAOYSA-N 0 0 406.445 6.110 50 5 HKBARN CC(=O)c1cc(C(=O)c2ccc(C)cc2)n2ccc(Cc3ccc([N+](=O)[O-])cc3)cc12 ZINC000001108009 569356794 /nfs/dbraw/zinc/35/67/94/569356794.db2.gz PABKKQUWVMYCKL-UHFFFAOYSA-N 0 0 412.445 5.180 50 5 HKBARN C[C@H](Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1cccc(Cl)c1 ZINC000001108627 568768617 /nfs/dbraw/zinc/76/86/17/568768617.db2.gz GTLGAVOHZKMVDX-AWEZNQCLSA-N 0 0 424.840 5.151 50 5 HKBARN C[C@@H](Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1cccc(Cl)c1 ZINC000001108628 568768620 /nfs/dbraw/zinc/76/86/20/568768620.db2.gz GTLGAVOHZKMVDX-CQSZACIVSA-N 0 0 424.840 5.151 50 5 HKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000001108834 568768590 /nfs/dbraw/zinc/76/85/90/568768590.db2.gz APLBRVRAMGPDCS-UHFFFAOYSA-N 0 0 418.840 5.353 50 5 HKBARN O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000001109115 568768772 /nfs/dbraw/zinc/76/87/72/568768772.db2.gz AQFUWOOTRCKHEC-UHFFFAOYSA-N 0 0 418.840 5.353 50 5 HKBARN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccs1 ZINC000001109251 568768791 /nfs/dbraw/zinc/76/87/91/568768791.db2.gz SEPUIBSWHLXJIL-UHFFFAOYSA-N 0 0 407.476 5.699 50 5 HKBARN Cc1cc(C)cc(OCC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000001109308 568768796 /nfs/dbraw/zinc/76/87/96/568768796.db2.gz PIOJSBJNNZRBRX-UHFFFAOYSA-N 0 0 408.479 5.380 50 5 HKBARN C[C@H](Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC000001109425 568768732 /nfs/dbraw/zinc/76/87/32/568768732.db2.gz ZQNZNXHNXWLLOL-AWEZNQCLSA-N 0 0 424.840 5.151 50 5 HKBARN C[C@@H](Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC000001109426 568768820 /nfs/dbraw/zinc/76/88/20/568768820.db2.gz ZQNZNXHNXWLLOL-CQSZACIVSA-N 0 0 424.840 5.151 50 5 HKBARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000001109784 132237391 /nfs/dbraw/zinc/23/73/91/132237391.db2.gz GGXLBKHRMLDKHT-UHFFFAOYSA-N 0 0 407.392 5.165 50 5 HKBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001109826 568768699 /nfs/dbraw/zinc/76/86/99/568768699.db2.gz PLDOYQNBOXNOEP-UHFFFAOYSA-N 0 0 404.797 5.139 50 5 HKBARN C[C@H](Oc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)c1cccc(Cl)c1 ZINC000001110054 568768686 /nfs/dbraw/zinc/76/86/86/568768686.db2.gz GFGAFDIYAARPAR-AWEZNQCLSA-N 0 0 424.840 5.151 50 5 HKBARN C[C@@H](Oc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)c1cccc(Cl)c1 ZINC000001110055 568768785 /nfs/dbraw/zinc/76/87/85/568768785.db2.gz GFGAFDIYAARPAR-CQSZACIVSA-N 0 0 424.840 5.151 50 5 HKBARN CC(=O)c1cccc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])c1 ZINC000001110164 568770304 /nfs/dbraw/zinc/77/03/04/568770304.db2.gz WQAINXNZZJLJCX-UHFFFAOYSA-N 0 0 401.378 5.307 50 5 HKBARN Cc1nn(-c2ccccc2)c(OC(=O)C(C)(C)C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001110449 568770405 /nfs/dbraw/zinc/77/04/05/568770405.db2.gz ORBHIFHBSGYENY-UHFFFAOYSA-N 0 0 411.483 5.192 50 5 HKBARN C[C@@H](Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)c1cccc(Cl)c1 ZINC000001110831 568770579 /nfs/dbraw/zinc/77/05/79/568770579.db2.gz NMRCKXSUVWJIPK-CQSZACIVSA-N 0 0 424.840 5.151 50 5 HKBARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000001111994 568770599 /nfs/dbraw/zinc/77/05/99/568770599.db2.gz QEBUGDNQEQOKLV-UHFFFAOYSA-N 0 0 415.902 5.922 50 5 HKBARN Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000001112048 568770589 /nfs/dbraw/zinc/77/05/89/568770589.db2.gz RYWRHMFDJDIYQO-UHFFFAOYSA-N 0 0 416.412 5.147 50 5 HKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2cccs2)nc2ccccc21 ZINC000001112226 568770597 /nfs/dbraw/zinc/77/05/97/568770597.db2.gz NAKUJWCXQAPIGV-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN COc1ccc(Cn2c3ccccc3nc2SCc2ccccc2)cc1[N+](=O)[O-] ZINC000001112610 568770591 /nfs/dbraw/zinc/77/05/91/568770591.db2.gz RNDJZAYUBFPXNN-UHFFFAOYSA-N 0 0 405.479 5.294 50 5 HKBARN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001112664 525688117 /nfs/dbraw/zinc/68/81/17/525688117.db2.gz YNBUNXALCZUMBK-UHFFFAOYSA-N 0 0 423.432 5.043 50 5 HKBARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000001113037 568770913 /nfs/dbraw/zinc/77/09/13/568770913.db2.gz JLJUAZFVDFQFMB-GFCCVEGCSA-N 0 0 415.902 6.138 50 5 HKBARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000001113039 568770998 /nfs/dbraw/zinc/77/09/98/568770998.db2.gz JLJUAZFVDFQFMB-LBPRGKRZSA-N 0 0 415.902 6.138 50 5 HKBARN CC(C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1 ZINC000001113127 568770554 /nfs/dbraw/zinc/77/05/54/568770554.db2.gz QYCDSUSVIDCRNN-UHFFFAOYSA-N 0 0 401.875 5.747 50 5 HKBARN O=C(CSc1nc2ccccc2o1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001113238 568770566 /nfs/dbraw/zinc/77/05/66/568770566.db2.gz PCSSSHIHXAYESR-UHFFFAOYSA-N 0 0 406.419 5.503 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001113249 568770584 /nfs/dbraw/zinc/77/05/84/568770584.db2.gz IIUCXQCDBFGNMP-UHFFFAOYSA-N 0 0 407.209 5.423 50 5 HKBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)scc1-c1ccc(Cl)cc1 ZINC000001113330 568770568 /nfs/dbraw/zinc/77/05/68/568770568.db2.gz ULDJQRXAZVHEOE-UHFFFAOYSA-N 0 0 416.842 5.016 50 5 HKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(Cl)cc1Cl ZINC000001113387 568770559 /nfs/dbraw/zinc/77/05/59/568770559.db2.gz MPBGJDBLNFQWEM-UHFFFAOYSA-N 0 0 414.295 5.242 50 5 HKBARN COc1ccc(-c2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000001113793 568770578 /nfs/dbraw/zinc/77/05/78/568770578.db2.gz VVCYBNOHWYXDLX-UHFFFAOYSA-N 0 0 417.396 5.210 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000001114029 568770576 /nfs/dbraw/zinc/77/05/76/568770576.db2.gz ZTBZVLVEYMILOH-UHFFFAOYSA-N 0 0 405.435 5.132 50 5 HKBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2 ZINC000001114722 568770720 /nfs/dbraw/zinc/77/07/20/568770720.db2.gz LZZGGDDCMFJHJU-UHFFFAOYSA-N 0 0 422.890 5.008 50 5 HKBARN Cc1ccc(SCC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001115740 568770759 /nfs/dbraw/zinc/77/07/59/568770759.db2.gz KXMLARXCWQHCJU-UHFFFAOYSA-N 0 0 410.520 5.785 50 5 HKBARN O=[N+]([O-])c1ccc(-c2noc(COc3cc(Cl)c(Cl)cc3Cl)n2)cc1 ZINC000001115814 568770708 /nfs/dbraw/zinc/77/07/08/568770708.db2.gz YZDDXFHVTVDOEC-UHFFFAOYSA-N 0 0 400.605 5.184 50 5 HKBARN COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000001115974 568770775 /nfs/dbraw/zinc/77/07/75/568770775.db2.gz KLESDSCEJLHRPZ-UNOMPAQXSA-N 0 0 422.418 5.104 50 5 HKBARN CC1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000001116841 132237774 /nfs/dbraw/zinc/23/77/74/132237774.db2.gz CTGFZFVMLGSCMK-UHFFFAOYSA-N 0 0 405.454 5.343 50 5 HKBARN O=[N+]([O-])c1ccc(-c2cn(-c3ccccc3NCc3ccc(Cl)cc3)cn2)cc1 ZINC000001117107 568770744 /nfs/dbraw/zinc/77/07/44/568770744.db2.gz HUZFLEKMYXAWLW-UHFFFAOYSA-N 0 0 404.857 5.713 50 5 HKBARN O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001117220 568770770 /nfs/dbraw/zinc/77/07/70/568770770.db2.gz WLHFKIFSOQKUSQ-UHFFFAOYSA-N 0 0 410.735 5.779 50 5 HKBARN O=C(COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Cl ZINC000001117578 568770727 /nfs/dbraw/zinc/77/07/27/568770727.db2.gz XMAPDWWQZRVJDY-UHFFFAOYSA-N 0 0 411.797 5.080 50 5 HKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000001118918 568770948 /nfs/dbraw/zinc/77/09/48/568770948.db2.gz WQPUQFRIBLFOQW-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=Cc1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000001119141 568770932 /nfs/dbraw/zinc/77/09/32/568770932.db2.gz GCTBZHOQILTCFV-UHFFFAOYSA-N 0 0 405.357 5.034 50 5 HKBARN Cc1nn(-c2ccccc2)c(OC(=O)CC(C)C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001119529 568771042 /nfs/dbraw/zinc/77/10/42/568771042.db2.gz WMGSSTBDFMNOIY-UHFFFAOYSA-N 0 0 411.483 5.192 50 5 HKBARN COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000001119539 568770879 /nfs/dbraw/zinc/77/08/79/568770879.db2.gz PMLGKBUNCGGCSD-UHFFFAOYSA-N 0 0 405.435 5.132 50 5 HKBARN O=C(Nc1cccc2ncccc21)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000001120020 568771004 /nfs/dbraw/zinc/77/10/04/568771004.db2.gz FIDWGOOFHKNTGA-UHFFFAOYSA-N 0 0 401.447 5.547 50 5 HKBARN Cc1cc(OCC(=O)c2ccc(Br)cc2)cc2oc(=O)c3ccccc3c12 ZINC000001121035 557191030 /nfs/dbraw/zinc/19/10/30/557191030.db2.gz SALXDINXBIJKOD-UHFFFAOYSA-N 0 0 423.262 5.279 50 5 HKBARN COc1ccc(NC(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001121381 568771208 /nfs/dbraw/zinc/77/12/08/568771208.db2.gz FPEAGDWGRHBPLN-UHFFFAOYSA-N 0 0 414.870 5.660 50 5 HKBARN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000001121462 568771197 /nfs/dbraw/zinc/77/11/97/568771197.db2.gz BJNWCWONMFLBHK-UHFFFAOYSA-N 0 0 418.380 5.272 50 5 HKBARN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(O)cc1 ZINC000001121734 569277352 /nfs/dbraw/zinc/27/73/52/569277352.db2.gz AEQHINUFNXDMSF-UHFFFAOYSA-N 0 0 421.408 5.963 50 5 HKBARN O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Cl ZINC000001122610 568771413 /nfs/dbraw/zinc/77/14/13/568771413.db2.gz WVKTWQMMOLRCDE-UHFFFAOYSA-N 0 0 411.797 5.080 50 5 HKBARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1[N+](=O)[O-] ZINC000001123009 568771384 /nfs/dbraw/zinc/77/13/84/568771384.db2.gz ORVIWGRVJMQANI-UHFFFAOYSA-N 0 0 417.421 5.281 50 5 HKBARN O=C(Nc1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2)on1 ZINC000001126417 568770337 /nfs/dbraw/zinc/77/03/37/568770337.db2.gz ZHSLBFCTHNBRIE-UHFFFAOYSA-N 0 0 417.377 5.000 50 5 HKBARN O=C(Nc1ccccc1N1CCCCC1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000001126448 132238165 /nfs/dbraw/zinc/23/81/65/132238165.db2.gz AWAHILOSSRQOQD-UHFFFAOYSA-N 0 0 415.902 5.706 50 5 HKBARN COc1ccccc1C(=O)OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001127677 524362092 /nfs/dbraw/zinc/36/20/92/524362092.db2.gz ZVEJTXAAKSRNIN-UHFFFAOYSA-N 0 0 413.813 5.406 50 5 HKBARN COc1ccc(CCn2c3c(c(=S)nc2-c2cccc([N+](=O)[O-])c2)CCCC3)cc1 ZINC000001128335 568771126 /nfs/dbraw/zinc/77/11/26/568771126.db2.gz XNHYRXQXYYOQPJ-UHFFFAOYSA-N 0 0 421.522 5.318 50 5 HKBARN O=C(CCSc1ccc([N+](=O)[O-])cc1)Oc1ccc(OCc2ccccc2)cc1 ZINC000001129739 568772867 /nfs/dbraw/zinc/77/28/67/568772867.db2.gz YOZZOJPQTXIWJW-UHFFFAOYSA-N 0 0 409.463 5.262 50 5 HKBARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccco2)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001131444 568773139 /nfs/dbraw/zinc/77/31/39/568773139.db2.gz KZBDJGVGVPNPJX-UHFFFAOYSA-N 0 0 421.434 5.052 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] ZINC000001134417 568773261 /nfs/dbraw/zinc/77/32/61/568773261.db2.gz JIUGLNVFEYXNNB-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN COc1cc(-c2nc3cc4ccccc4cc3nc2-c2ccc(O)c(OC)c2)ccc1O ZINC000001134789 557200484 /nfs/dbraw/zinc/20/04/84/557200484.db2.gz OSQJWZRHXCVPJA-UHFFFAOYSA-N 0 0 424.456 5.545 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(C)c4[N+](=O)[O-])cc3)sc2c1 ZINC000001135840 568773243 /nfs/dbraw/zinc/77/32/43/568773243.db2.gz DTBPZYJERBUVQH-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001137880 568773544 /nfs/dbraw/zinc/77/35/44/568773544.db2.gz UHTSJUMUDSFSDA-UHFFFAOYSA-N 0 0 413.227 5.402 50 5 HKBARN O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000001138142 568773532 /nfs/dbraw/zinc/77/35/32/568773532.db2.gz JNWWBMVDOHRTHY-UHFFFAOYSA-N 0 0 403.221 5.946 50 5 HKBARN CCC(=O)Nc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 ZINC000001138210 568773505 /nfs/dbraw/zinc/77/35/05/568773505.db2.gz XZOFEIFHNIYTBS-UHFFFAOYSA-N 0 0 407.904 5.499 50 5 HKBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000001138271 568773469 /nfs/dbraw/zinc/77/34/69/568773469.db2.gz HFPJXZNRWLBSDL-UHFFFAOYSA-N 0 0 424.547 5.759 50 5 HKBARN O=C(Nc1cccc2cccnc21)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000001138976 568773475 /nfs/dbraw/zinc/77/34/75/568773475.db2.gz LXNCSZDOXDRQRQ-UHFFFAOYSA-N 0 0 401.447 5.547 50 5 HKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001139561 568772134 /nfs/dbraw/zinc/77/21/34/568772134.db2.gz VERXEKZMOSKMNU-UHFFFAOYSA-N 0 0 411.628 6.067 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] ZINC000001140353 568772125 /nfs/dbraw/zinc/77/21/25/568772125.db2.gz PSZIDZVOXHXJGF-UHFFFAOYSA-N 0 0 412.829 5.692 50 5 HKBARN Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000001140372 568772088 /nfs/dbraw/zinc/77/20/88/568772088.db2.gz BATWFFSGDAJEBB-UHFFFAOYSA-N 0 0 403.649 5.189 50 5 HKBARN O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1cccc([N+](=O)[O-])c1 ZINC000001140740 568772122 /nfs/dbraw/zinc/77/21/22/568772122.db2.gz RPBMFDLLSMDJII-UHFFFAOYSA-N 0 0 405.888 5.103 50 5 aggregator HKBARN COc1ccc([N+](=O)[O-])cc1COc1ccccc1C(=O)Nc1cccc(C)c1C ZINC000001140751 568772138 /nfs/dbraw/zinc/77/21/38/568772138.db2.gz WYMUJTQGOZLXLH-UHFFFAOYSA-N 0 0 406.438 5.052 50 5 HKBARN CC(=O)c1ccc(OC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3Cl)c2)cc1 ZINC000001140769 568772115 /nfs/dbraw/zinc/77/21/15/568772115.db2.gz SUJSVEDQSQCZRE-UHFFFAOYSA-N 0 0 411.797 5.462 50 5 HKBARN C[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001140790 568772067 /nfs/dbraw/zinc/77/20/67/568772067.db2.gz IFOWMMCVEVJUQV-AWEZNQCLSA-N 0 0 408.841 5.221 50 5 HKBARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001140791 568772093 /nfs/dbraw/zinc/77/20/93/568772093.db2.gz IFOWMMCVEVJUQV-CQSZACIVSA-N 0 0 408.841 5.221 50 5 HKBARN O=C(Nc1cccc2cccnc21)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000001140820 568772118 /nfs/dbraw/zinc/77/21/18/568772118.db2.gz BVEWPCXBDXBZAO-UHFFFAOYSA-N 0 0 419.824 5.841 50 5 HKBARN Cc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001140923 568772146 /nfs/dbraw/zinc/77/21/46/568772146.db2.gz IYNIHANRMQNMBC-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000001141026 568772275 /nfs/dbraw/zinc/77/22/75/568772275.db2.gz MYYLTVLYIYBANF-UHFFFAOYSA-N 0 0 413.817 5.109 50 5 HKBARN CC(=O)Nc1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000001141081 568772311 /nfs/dbraw/zinc/77/23/11/568772311.db2.gz MPLSBSNHKDBNHI-UHFFFAOYSA-N 0 0 412.829 5.578 50 5 HKBARN O=C(Nc1cccc2ncccc21)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001141156 568772260 /nfs/dbraw/zinc/77/22/60/568772260.db2.gz IOZZCZRWCDHVHI-UHFFFAOYSA-N 0 0 419.824 5.841 50 5 HKBARN CC(=O)c1ccccc1OC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000001141163 568772305 /nfs/dbraw/zinc/77/23/05/568772305.db2.gz QSBOUUZXYWWZJE-UHFFFAOYSA-N 0 0 411.797 5.462 50 5 HKBARN COc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001141205 568772245 /nfs/dbraw/zinc/77/22/45/568772245.db2.gz FDNMYGMDJXIGPE-UHFFFAOYSA-N 0 0 414.870 5.660 50 5 HKBARN O=C(Nc1cccc(Cl)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000001141226 568772294 /nfs/dbraw/zinc/77/22/94/568772294.db2.gz BISWHXNGDRHXSC-UHFFFAOYSA-N 0 0 403.221 5.946 50 5 aggregator HKBARN O=C(Nc1cccc2cccnc21)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001141324 568772290 /nfs/dbraw/zinc/77/22/90/568772290.db2.gz ZEBBIMHPWZJPPH-UHFFFAOYSA-N 0 0 419.824 5.841 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000001142164 568772266 /nfs/dbraw/zinc/77/22/66/568772266.db2.gz IJHRVOZZWJRQPG-UHFFFAOYSA-N 0 0 406.442 5.274 50 5 HKBARN Cc1cc2sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc2cc1Cl ZINC000001142485 568772312 /nfs/dbraw/zinc/77/23/12/568772312.db2.gz BZVYXWBUJVFOQW-UHFFFAOYSA-N 0 0 413.842 5.679 50 5 HKBARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3OC)[nH]2)cc1O ZINC000001143035 568772296 /nfs/dbraw/zinc/77/22/96/568772296.db2.gz KGNWERYRFMCZEN-UHFFFAOYSA-N 0 0 417.421 5.042 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2c(C)c1 ZINC000001143309 568772253 /nfs/dbraw/zinc/77/22/53/568772253.db2.gz UZYYWNQKFYFMQE-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3F)n2-c2ccccc2)cc1 ZINC000001143314 568772317 /nfs/dbraw/zinc/77/23/17/568772317.db2.gz PFHFESCRTORQLN-UHFFFAOYSA-N 0 0 406.442 5.274 50 5 HKBARN Cc1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000001144015 568772270 /nfs/dbraw/zinc/77/22/70/568772270.db2.gz CVLPUTJUJGYDCL-UHFFFAOYSA-N 0 0 416.355 5.967 50 5 HKBARN O=C1S/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000001144032 568772299 /nfs/dbraw/zinc/77/22/99/568772299.db2.gz GFGSDDNPEJBMRZ-XDHOZWIPSA-N 0 0 406.419 5.091 50 5 HKBARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001144063 568772542 /nfs/dbraw/zinc/77/25/42/568772542.db2.gz YYUJMZFISBVSOI-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cn1c(Cc2cccc3ccccc32)nnc1SCc1c(Cl)cccc1[N+](=O)[O-] ZINC000001144489 568772535 /nfs/dbraw/zinc/77/25/35/568772535.db2.gz ZPWVFWPBBKYPBQ-UHFFFAOYSA-N 0 0 424.913 5.413 50 5 HKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000001145025 568772496 /nfs/dbraw/zinc/77/24/96/568772496.db2.gz MYKHQCICYKCZOR-UHFFFAOYSA-N 0 0 401.422 5.201 50 5 HKBARN CCC(=O)c1ccc(OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001145367 568774042 /nfs/dbraw/zinc/77/40/42/568774042.db2.gz QQQGHPQCKRRTKO-UHFFFAOYSA-N 0 0 407.447 5.558 50 5 HKBARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000001145407 568772563 /nfs/dbraw/zinc/77/25/63/568772563.db2.gz LRQVIBZWPKYLIV-UHFFFAOYSA-N 0 0 401.422 5.779 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000001145467 568772551 /nfs/dbraw/zinc/77/25/51/568772551.db2.gz UMGMJSXGGXXWFP-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN CC(=O)c1ccc(OC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000001145686 568772583 /nfs/dbraw/zinc/77/25/83/568772583.db2.gz HMRSQTKLZXMDKW-UHFFFAOYSA-N 0 0 411.797 5.462 50 5 HKBARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000001145755 568772555 /nfs/dbraw/zinc/77/25/55/568772555.db2.gz WXWUKONJOGMUOM-UHFFFAOYSA-N 0 0 401.422 5.779 50 5 HKBARN Cc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000001145761 568772561 /nfs/dbraw/zinc/77/25/61/568772561.db2.gz QBWQALLHVDHQKK-UHFFFAOYSA-N 0 0 416.355 5.967 50 5 HKBARN Cc1c(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cccc1[N+](=O)[O-] ZINC000001145768 568772581 /nfs/dbraw/zinc/77/25/81/568772581.db2.gz GTNVTBSYMGTZHE-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1Cl ZINC000001146200 568772487 /nfs/dbraw/zinc/77/24/87/568772487.db2.gz HASLKGXWWBIFEN-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CCc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1 ZINC000001146721 568772580 /nfs/dbraw/zinc/77/25/80/568772580.db2.gz UMHMLLIVKMLYBQ-UHFFFAOYSA-N 0 0 417.494 5.092 50 5 HKBARN CC(C)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(Br)c1 ZINC000001148426 568772720 /nfs/dbraw/zinc/77/27/20/568772720.db2.gz WBDQXSPSNCZADN-UHFFFAOYSA-N 0 0 418.247 5.110 50 5 HKBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000001148822 568772687 /nfs/dbraw/zinc/77/26/87/568772687.db2.gz DSQWYVFCVARRTM-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001149420 568772643 /nfs/dbraw/zinc/77/26/43/568772643.db2.gz OFVIKFWSPIWPBO-UHFFFAOYSA-N 0 0 411.628 6.067 50 5 HKBARN O=C1S/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000001151005 568774031 /nfs/dbraw/zinc/77/40/31/568774031.db2.gz LXYKIJASKYWWOO-NVNXTCNLSA-N 0 0 409.250 5.138 50 5 HKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001151062 568774068 /nfs/dbraw/zinc/77/40/68/568774068.db2.gz PDIKHBLHMUUSSI-UHFFFAOYSA-N 0 0 410.735 5.779 50 5 HKBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000001151200 568774111 /nfs/dbraw/zinc/77/41/11/568774111.db2.gz MJIPDVWEHUESML-UHFFFAOYSA-N 0 0 424.322 5.363 50 5 HKBARN O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001151277 568774122 /nfs/dbraw/zinc/77/41/22/568774122.db2.gz HVJBDWDKSRWATJ-UHFFFAOYSA-N 0 0 403.221 5.946 50 5 HKBARN O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001151504 568774060 /nfs/dbraw/zinc/77/40/60/568774060.db2.gz WJCQYGDPEBSKBZ-UHFFFAOYSA-N 0 0 403.221 5.946 50 5 HKBARN Cc1c(OCC(=O)c2ccc(Br)cc2)ccc2c3ccccc3c(=O)oc12 ZINC000001151794 557211370 /nfs/dbraw/zinc/21/13/70/557211370.db2.gz NZDGZWIKDOAAHA-UHFFFAOYSA-N 0 0 423.262 5.279 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000001151850 568774037 /nfs/dbraw/zinc/77/40/37/568774037.db2.gz WQMMTIDZMDKNSQ-UHFFFAOYSA-N 0 0 417.417 5.264 50 5 HKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1c(Cl)cccc1Cl ZINC000001152239 568774087 /nfs/dbraw/zinc/77/40/87/568774087.db2.gz HHVKADBECMKXLO-UHFFFAOYSA-N 0 0 414.295 5.242 50 5 HKBARN O=c1oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2c2ccccc12 ZINC000001153157 557212249 /nfs/dbraw/zinc/21/22/49/557212249.db2.gz DKGVVXRTZOTAPX-UHFFFAOYSA-N 0 0 401.296 5.666 50 5 HKBARN O=c1oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2c2c1CCCC2 ZINC000001153986 568774046 /nfs/dbraw/zinc/77/40/46/568774046.db2.gz UHKHJKNIBHJPRU-UHFFFAOYSA-N 0 0 405.328 5.391 50 5 HKBARN Cc1c(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc2c3c(c(=O)oc12)CCC3 ZINC000001154258 568774231 /nfs/dbraw/zinc/77/42/31/568774231.db2.gz ZVAWHJFYVQXSKL-UHFFFAOYSA-N 0 0 405.328 5.309 50 5 HKBARN CCOc1ccc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])cc1 ZINC000001154528 568774234 /nfs/dbraw/zinc/77/42/34/568774234.db2.gz NYYOLYHVFVJTCS-UHFFFAOYSA-N 0 0 403.394 5.503 50 5 HKBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000001154849 568774279 /nfs/dbraw/zinc/77/42/79/568774279.db2.gz KBDARSJTMSJEPB-XBXARRHUSA-N 0 0 406.269 5.154 50 5 HKBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001154950 568774268 /nfs/dbraw/zinc/77/42/68/568774268.db2.gz OSNJBBLHFZAKRP-ONNFQVAWSA-N 0 0 420.812 5.103 50 5 HKBARN COc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000001155035 568774286 /nfs/dbraw/zinc/77/42/86/568774286.db2.gz GVOVKVHRXSGDLL-UHFFFAOYSA-N 0 0 414.417 5.176 50 5 HKBARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(OC(F)(F)F)cc1 ZINC000001155266 568774258 /nfs/dbraw/zinc/77/42/58/568774258.db2.gz FVXSPFHCCIDDBN-PKNBQFBNSA-N 0 0 418.327 5.405 50 5 HKBARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001155399 568774289 /nfs/dbraw/zinc/77/42/89/568774289.db2.gz NRGCMORUCJCRFO-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001155501 568774235 /nfs/dbraw/zinc/77/42/35/568774235.db2.gz CFESGXJRQDOHEK-UHFFFAOYSA-N 0 0 420.318 5.797 50 5 HKBARN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001156288 568774252 /nfs/dbraw/zinc/77/42/52/568774252.db2.gz HBCQCSKMXXRFKI-UHFFFAOYSA-N 0 0 419.824 5.841 50 5 HKBARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001156621 568774295 /nfs/dbraw/zinc/77/42/95/568774295.db2.gz VJMQQQWNSDZGOT-UHFFFAOYSA-N 0 0 410.451 5.061 50 5 HKBARN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000001156748 568775087 /nfs/dbraw/zinc/77/50/87/568775087.db2.gz HGKXZPSFAZICON-YRNVUSSQSA-N 0 0 413.433 5.672 50 5 HKBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(CC)c1-c1ccccc1 ZINC000001156776 568774424 /nfs/dbraw/zinc/77/44/24/568774424.db2.gz HFJHUJOAXBSWQL-UHFFFAOYSA-N 0 0 424.478 5.315 50 5 HKBARN Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1C ZINC000001156915 568774409 /nfs/dbraw/zinc/77/44/09/568774409.db2.gz VSCSTAOTZFBLIC-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1c(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cccc1[N+](=O)[O-] ZINC000001156926 568774417 /nfs/dbraw/zinc/77/44/17/568774417.db2.gz ZIUPFMRFMJXUCF-UHFFFAOYSA-N 0 0 418.272 5.042 50 5 HKBARN Cc1cc(Br)cc(C)c1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001157427 568774420 /nfs/dbraw/zinc/77/44/20/568774420.db2.gz GZVWTTLAIWBCNT-GQCTYLIASA-N 0 0 409.667 5.279 50 5 HKBARN Cc1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1C ZINC000001157495 568774410 /nfs/dbraw/zinc/77/44/10/568774410.db2.gz QUCVBNFQXVXNJY-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000001157623 568774416 /nfs/dbraw/zinc/77/44/16/568774416.db2.gz HNFYJZHHPYGIGT-UHFFFAOYSA-N 0 0 401.422 5.779 50 5 HKBARN Cc1c(C(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)cccc1[N+](=O)[O-] ZINC000001157747 568775097 /nfs/dbraw/zinc/77/50/97/568775097.db2.gz GLTUUHGKZADDHD-UHFFFAOYSA-N 0 0 415.449 6.087 50 5 HKBARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001157853 568774414 /nfs/dbraw/zinc/77/44/14/568774414.db2.gz NKKNJBMIKIADKM-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001157988 568774455 /nfs/dbraw/zinc/77/44/55/568774455.db2.gz PSHYSBCACQIFMP-KRXBUXKQSA-N 0 0 420.277 5.677 50 5 HKBARN Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br ZINC000001158175 568774454 /nfs/dbraw/zinc/77/44/54/568774454.db2.gz JQCIHRMAXJFICD-UHFFFAOYSA-N 0 0 401.216 5.178 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)nc1 ZINC000001158572 568774432 /nfs/dbraw/zinc/77/44/32/568774432.db2.gz FJKJMJANKNCURA-UHFFFAOYSA-N 0 0 409.858 5.042 50 5 HKBARN O=C(Nc1cccc(F)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000001158797 568774449 /nfs/dbraw/zinc/77/44/49/568774449.db2.gz VZAUGLUFTPARMC-UHFFFAOYSA-N 0 0 420.318 5.797 50 5 HKBARN Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001158880 568774437 /nfs/dbraw/zinc/77/44/37/568774437.db2.gz RIKBVXWYMOLNSV-UHFFFAOYSA-N 0 0 401.216 5.178 50 5 HKBARN COc1ccc(COc2ccccc2C(=O)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000001159416 568774422 /nfs/dbraw/zinc/77/44/22/568774422.db2.gz WFLXIWZLRPCJML-UHFFFAOYSA-N 0 0 406.438 5.052 50 5 HKBARN CCOC(=O)c1c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2oc1C(C)(C)C ZINC000001159525 568775202 /nfs/dbraw/zinc/77/52/02/568775202.db2.gz MYVQKOLTSOLLOF-UHFFFAOYSA-N 0 0 411.410 5.034 50 5 biogenic HKBARN Cc1cccc(NC(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1 ZINC000001159858 568774421 /nfs/dbraw/zinc/77/44/21/568774421.db2.gz AOCMYUGURKDTIF-UHFFFAOYSA-N 0 0 416.355 5.967 50 5 HKBARN Cc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000001159942 568774413 /nfs/dbraw/zinc/77/44/13/568774413.db2.gz SJFDHCHGXKBMSJ-UHFFFAOYSA-N 0 0 424.840 5.071 50 5 HKBARN CCOC(=O)c1c2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2oc1C(C)(C)C ZINC000001160520 568775510 /nfs/dbraw/zinc/77/55/10/568775510.db2.gz MAVTWRBRDXVDQE-UHFFFAOYSA-N 0 0 411.410 5.034 50 5 HKBARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001161482 568775318 /nfs/dbraw/zinc/77/53/18/568775318.db2.gz GNJYXUARFHITBC-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1)N(CCOc1ccccc1)c1ccc2ccccc2c1 ZINC000001162314 568775254 /nfs/dbraw/zinc/77/52/54/568775254.db2.gz KIHWRRSWQHSIRD-UHFFFAOYSA-N 0 0 412.445 5.474 50 5 HKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)n1c2ccccc2c2c1CCCC2 ZINC000001163207 568775336 /nfs/dbraw/zinc/77/53/36/568775336.db2.gz BNQHBWMGIWIUQI-UHFFFAOYSA-N 0 0 423.519 5.471 50 5 HKBARN Cc1cccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 ZINC000001164592 568775156 /nfs/dbraw/zinc/77/51/56/568775156.db2.gz NCYPAGIQTPMKMN-UHFFFAOYSA-N 0 0 416.355 5.967 50 5 HKBARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1[N+](=O)[O-] ZINC000001164789 568775385 /nfs/dbraw/zinc/77/53/85/568775385.db2.gz QOHHTCXTGXJIJP-UHFFFAOYSA-N 0 0 405.435 5.132 50 5 HKBARN CCc1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 ZINC000001164904 568775718 /nfs/dbraw/zinc/77/57/18/568775718.db2.gz FYTQMUPAYUATLD-UHFFFAOYSA-N 0 0 401.422 5.526 50 5 HKBARN Cc1ccc(C(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 ZINC000001164941 568775719 /nfs/dbraw/zinc/77/57/19/568775719.db2.gz DQLQYLSKSBAKFD-OAQYLSRUSA-N 0 0 409.825 5.338 50 5 HKBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 ZINC000001164942 568775696 /nfs/dbraw/zinc/77/56/96/568775696.db2.gz DQLQYLSKSBAKFD-NRFANRHFSA-N 0 0 409.825 5.338 50 5 HKBARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 ZINC000001165298 568775690 /nfs/dbraw/zinc/77/56/90/568775690.db2.gz CKWAIAJLMRZHSX-OAQYLSRUSA-N 0 0 409.825 5.338 50 5 HKBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 ZINC000001165299 568775761 /nfs/dbraw/zinc/77/57/61/568775761.db2.gz CKWAIAJLMRZHSX-NRFANRHFSA-N 0 0 409.825 5.338 50 5 HKBARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000001165919 568775694 /nfs/dbraw/zinc/77/56/94/568775694.db2.gz LWRZIQNKSKRXBX-UHFFFAOYSA-N 0 0 415.449 5.835 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000001166170 568775934 /nfs/dbraw/zinc/77/59/34/568775934.db2.gz JHJAIOLDPAWHJT-DHZHZOJOSA-N 0 0 419.824 5.708 50 5 HKBARN O=C(Oc1cccc2cccnc21)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001166265 568775704 /nfs/dbraw/zinc/77/57/04/568775704.db2.gz ZUGBNSZSDUQPCO-UHFFFAOYSA-N 0 0 420.808 5.808 50 5 HKBARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000001166630 568775974 /nfs/dbraw/zinc/77/59/74/568775974.db2.gz LGDFAUUPAWWWIO-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000001166646 568775911 /nfs/dbraw/zinc/77/59/11/568775911.db2.gz VQCQVVSNQGVAFK-UHFFFAOYSA-N 0 0 401.422 5.779 50 5 HKBARN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001166791 568775464 /nfs/dbraw/zinc/77/54/64/568775464.db2.gz FVWLORLPFASNLK-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN O=[N+]([O-])c1ccc2[nH]c(CSc3nc4ccccc4n3Cc3ccccc3)nc2c1 ZINC000001166861 568775428 /nfs/dbraw/zinc/77/54/28/568775428.db2.gz ACJLYUIXQODAIO-UHFFFAOYSA-N 0 0 415.478 5.161 50 5 HKBARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1[N+](=O)[O-] ZINC000001166866 568775399 /nfs/dbraw/zinc/77/53/99/568775399.db2.gz TYCYKJNJCRVFES-UHFFFAOYSA-N 0 0 417.421 5.362 50 5 HKBARN COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000001167040 568775411 /nfs/dbraw/zinc/77/54/11/568775411.db2.gz ODNVKILURWDVKF-UHFFFAOYSA-N 0 0 405.435 5.132 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3C)oc2cc1C ZINC000001167406 568775379 /nfs/dbraw/zinc/77/53/79/568775379.db2.gz RQVNJGAHOPSBOU-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN O=C(Nc1cccc2ncccc21)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000001167448 568775434 /nfs/dbraw/zinc/77/54/34/568775434.db2.gz IDPXPAHCODRSNI-UHFFFAOYSA-N 0 0 401.447 5.547 50 5 HKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001167874 568775375 /nfs/dbraw/zinc/77/53/75/568775375.db2.gz XJGCOODDVQGNLP-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001167885 568775447 /nfs/dbraw/zinc/77/54/47/568775447.db2.gz OTJMMIGZMRCDGT-XBXARRHUSA-N 0 0 420.812 5.103 50 5 HKBARN COc1cc(-c2nnc3ccc4ccccc4n32)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000001168243 568775371 /nfs/dbraw/zinc/77/53/71/568775371.db2.gz UFYBALXUNXVFKL-UHFFFAOYSA-N 0 0 412.405 5.259 50 5 HKBARN CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(OCC)cc1 ZINC000001169240 568775418 /nfs/dbraw/zinc/77/54/18/568775418.db2.gz XHWGUIAXKYDNML-UHFFFAOYSA-N 0 0 411.483 5.322 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)oc2c(C)c1 ZINC000001169883 568787726 /nfs/dbraw/zinc/78/77/26/568787726.db2.gz RVUAMCKQMUGUPF-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)oc2cc1C ZINC000001169947 568775486 /nfs/dbraw/zinc/77/54/86/568775486.db2.gz LSNWFHAZIFALTC-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1-c1nc2ncccc2o1 ZINC000001169998 568775401 /nfs/dbraw/zinc/77/54/01/568775401.db2.gz HOCAXOKTDXPOOW-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000001170056 568775414 /nfs/dbraw/zinc/77/54/14/568775414.db2.gz JWEVVPMTIKUPLU-UHFFFAOYSA-N 0 0 412.829 5.088 50 5 HKBARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3Cl)nc2c1 ZINC000001170076 568775505 /nfs/dbraw/zinc/77/55/05/568775505.db2.gz IQNUQRGMYFXZFX-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3C)nc2c1 ZINC000001170247 568818755 /nfs/dbraw/zinc/81/87/55/568818755.db2.gz KAEWTDNBOJZVPY-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001170288 568818719 /nfs/dbraw/zinc/81/87/19/568818719.db2.gz RKDCYDXHTDPIEQ-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cccc1[N+](=O)[O-] ZINC000001170306 568818748 /nfs/dbraw/zinc/81/87/48/568818748.db2.gz PWGPMTOIMUTOFZ-UHFFFAOYSA-N 0 0 405.435 5.138 50 5 HKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1-c1ccccc1 ZINC000001170384 568818791 /nfs/dbraw/zinc/81/87/91/568818791.db2.gz UUWRJGNCFOPEPB-UHFFFAOYSA-N 0 0 421.503 5.602 50 5 HKBARN Cc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001170479 568818783 /nfs/dbraw/zinc/81/87/83/568818783.db2.gz ZFADKOQPBWLLEU-UHFFFAOYSA-N 0 0 407.447 5.094 50 5 HKBARN O=C(COC(=O)c1cccs1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001170692 526917908 /nfs/dbraw/zinc/91/79/08/526917908.db2.gz NNNGUWZUSPRCMX-UHFFFAOYSA-N 0 0 417.826 5.142 50 5 HKBARN O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Oc1cccc2cccnc21 ZINC000001170910 568818827 /nfs/dbraw/zinc/81/88/27/568818827.db2.gz CCFWPULCDCJJSE-UHFFFAOYSA-N 0 0 410.389 5.652 50 5 HKBARN CCC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 ZINC000001170920 568818815 /nfs/dbraw/zinc/81/88/15/568818815.db2.gz PYVHDHUFGUHBCI-UHFFFAOYSA-N 0 0 403.434 5.828 50 5 HKBARN Cc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1Cl ZINC000001170935 568818805 /nfs/dbraw/zinc/81/88/05/568818805.db2.gz PUPKHAFPBZJBLU-UHFFFAOYSA-N 0 0 408.797 5.150 50 5 HKBARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001171005 568821177 /nfs/dbraw/zinc/82/11/77/568821177.db2.gz KZESHKNTCTZEBC-UHFFFAOYSA-N 0 0 405.797 5.078 50 5 aggregator HKBARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)oc2c1 ZINC000001172824 571043189 /nfs/dbraw/zinc/04/31/89/571043189.db2.gz MGORKDZCMJNEBY-DHZHZOJOSA-N 0 0 413.433 5.672 50 5 HKBARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)oc2c1 ZINC000001172906 568818813 /nfs/dbraw/zinc/81/88/13/568818813.db2.gz ACRVBEVUZKBBME-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3C)oc2cc1C ZINC000001173334 571043107 /nfs/dbraw/zinc/04/31/07/571043107.db2.gz OYNGEBCJHYTPJJ-UHFFFAOYSA-N 0 0 415.449 5.889 50 5 HKBARN Cc1c(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000001174185 571043132 /nfs/dbraw/zinc/04/31/32/571043132.db2.gz CKNITMKSEKDCPR-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN 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HEHWPAGSEDOPHR-UHFFFAOYSA-N 0 0 401.422 5.336 50 5 HKBARN Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001196529 568822662 /nfs/dbraw/zinc/82/26/62/568822662.db2.gz CKOIFALUPRENTA-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(F)c1 ZINC000001196543 568822699 /nfs/dbraw/zinc/82/26/99/568822699.db2.gz RIONLOFJYUUDCZ-UHFFFAOYSA-N 0 0 419.437 5.777 50 5 HKBARN Cc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1 ZINC000001196673 568822606 /nfs/dbraw/zinc/82/26/06/568822606.db2.gz NGWUWKOSMHFHEC-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001196790 568823033 /nfs/dbraw/zinc/82/30/33/568823033.db2.gz ONXLXFCOHBXXCK-UHFFFAOYSA-N 0 0 415.232 5.385 50 5 HKBARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1[N+](=O)[O-] ZINC000001198910 568822722 /nfs/dbraw/zinc/82/27/22/568822722.db2.gz OFYZZSRSKGDIAZ-UHFFFAOYSA-N 0 0 419.462 5.441 50 5 HKBARN CCOc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000001199813 568822720 /nfs/dbraw/zinc/82/27/20/568822720.db2.gz OEOOETSKOSHIGY-UHFFFAOYSA-N 0 0 413.433 5.461 50 5 HKBARN Cc1cc(C)c(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c(C)c1 ZINC000001200289 568823275 /nfs/dbraw/zinc/82/32/75/568823275.db2.gz KBVFIGSDKHHENE-UHFFFAOYSA-N 0 0 402.406 5.113 50 5 HKBARN Cc1cc2nc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3Cl)oc2cc1C ZINC000001201299 568823292 /nfs/dbraw/zinc/82/32/92/568823292.db2.gz QNBHNZIPKGSKMI-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000001201558 568823804 /nfs/dbraw/zinc/82/38/04/568823804.db2.gz ZFCPANZGRKSQJJ-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(c1ccccc1)c1ccccc1 ZINC000001203396 568823615 /nfs/dbraw/zinc/82/36/15/568823615.db2.gz JKIBWKVIVUAOPY-UHFFFAOYSA-N 0 0 415.474 5.489 50 5 HKBARN Cc1ccc2oc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3C)nc2c1 ZINC000001205033 568823596 /nfs/dbraw/zinc/82/35/96/568823596.db2.gz JIYDWLSJUQOSCB-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2c(C)c1 ZINC000001205093 568823589 /nfs/dbraw/zinc/82/35/89/568823589.db2.gz QSJRCCHKVBSEQU-IZZDOVSWSA-N 0 0 413.433 5.672 50 5 HKBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000001206028 568823550 /nfs/dbraw/zinc/82/35/50/568823550.db2.gz PRTCEIJRUSAJHP-UHFFFAOYSA-N 0 0 423.812 5.074 50 5 HKBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000001206222 568823604 /nfs/dbraw/zinc/82/36/04/568823604.db2.gz SKAHUONWBAPMQV-UHFFFAOYSA-N 0 0 423.812 5.074 50 5 HKBARN Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3C)nc2c1 ZINC000001206624 568823547 /nfs/dbraw/zinc/82/35/47/568823547.db2.gz CXJKYEFXMBDPII-ZRDIBKRKSA-N 0 0 413.433 5.672 50 5 HKBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000001206632 568823574 /nfs/dbraw/zinc/82/35/74/568823574.db2.gz BISLAUFGVFIRAW-UHFFFAOYSA-N 0 0 423.812 5.074 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)oc2c(C)c1 ZINC000001206643 568823618 /nfs/dbraw/zinc/82/36/18/568823618.db2.gz YZALLNJAKOBCNN-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)oc2c(C)c1 ZINC000001206682 568823208 /nfs/dbraw/zinc/82/32/08/568823208.db2.gz QENHHSPHGCBMKW-UHFFFAOYSA-N 0 0 415.449 5.889 50 5 HKBARN COc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1Cl ZINC000001206692 568823246 /nfs/dbraw/zinc/82/32/46/568823246.db2.gz UOHCMMJPAXPSJU-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN CCOc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 ZINC000001206936 568823206 /nfs/dbraw/zinc/82/32/06/568823206.db2.gz JTSUBPUVUULGNP-UHFFFAOYSA-N 0 0 417.421 5.362 50 5 HKBARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001207022 568823412 /nfs/dbraw/zinc/82/34/12/568823412.db2.gz QIYSFGXJCGPMDP-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(-c2nc3ccccc3o2)ccc1Cl ZINC000001207068 568823419 /nfs/dbraw/zinc/82/34/19/568823419.db2.gz GUPVTLOUJPNCOT-UHFFFAOYSA-N 0 0 423.812 5.074 50 5 HKBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000001207248 568823382 /nfs/dbraw/zinc/82/33/82/568823382.db2.gz NNAZBAXLYPZQDZ-UHFFFAOYSA-N 0 0 423.812 5.074 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)oc2cc1C ZINC000001207261 568823372 /nfs/dbraw/zinc/82/33/72/568823372.db2.gz CRRBDOZPWDXRIA-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN Cc1c(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cccc1[N+](=O)[O-] ZINC000001207395 568823421 /nfs/dbraw/zinc/82/34/21/568823421.db2.gz KXLWXDIERUXFQF-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000001207426 568823389 /nfs/dbraw/zinc/82/33/89/568823389.db2.gz QYQSRNWLQZMCKC-UHFFFAOYSA-N 0 0 401.447 5.638 50 5 HKBARN O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccccc1 ZINC000001207432 568823373 /nfs/dbraw/zinc/82/33/73/568823373.db2.gz MFGUDPAPGAIODS-UHFFFAOYSA-N 0 0 421.503 5.749 50 5 HKBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1-c1cc2ccccc2oc1=O ZINC000001207516 568823431 /nfs/dbraw/zinc/82/34/31/568823431.db2.gz YIGXZHUPJVCTIT-UHFFFAOYSA-N 0 0 414.417 5.237 50 5 HKBARN Cc1c(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cccc1[N+](=O)[O-] ZINC000001207551 568823381 /nfs/dbraw/zinc/82/33/81/568823381.db2.gz JDHWZXORAORGFR-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000001207625 568823834 /nfs/dbraw/zinc/82/38/34/568823834.db2.gz WCIQYZABPZUYBC-UHFFFAOYSA-N 0 0 421.384 5.193 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1[N+](=O)[O-] ZINC000001207630 568823439 /nfs/dbraw/zinc/82/34/39/568823439.db2.gz KGPMBNJLMKVKOL-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000001207720 568823385 /nfs/dbraw/zinc/82/33/85/568823385.db2.gz RFJOLMNUGGZMGG-UHFFFAOYSA-N 0 0 423.812 5.074 50 5 HKBARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)oc2c1 ZINC000001207727 568823376 /nfs/dbraw/zinc/82/33/76/568823376.db2.gz LMJUWHPRHLLFMX-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000001207745 568823427 /nfs/dbraw/zinc/82/34/27/568823427.db2.gz RWIFKXXYPTUPBT-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001207824 568823384 /nfs/dbraw/zinc/82/33/84/568823384.db2.gz YECOLAJAIGITPB-UHFFFAOYSA-N 0 0 401.422 5.526 50 5 HKBARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001207837 568823437 /nfs/dbraw/zinc/82/34/37/568823437.db2.gz FIJWLYQOEHFSOA-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN Cc1ccc2oc(-c3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000001207955 568823374 /nfs/dbraw/zinc/82/33/74/568823374.db2.gz IWUZTDLPZPDTMU-UXBLZVDNSA-N 0 0 415.405 5.069 50 5 HKBARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000001207970 568823434 /nfs/dbraw/zinc/82/34/34/568823434.db2.gz UIAZFLZIFFTXON-UHFFFAOYSA-N 0 0 417.421 5.226 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1[N+](=O)[O-] ZINC000001207972 568823388 /nfs/dbraw/zinc/82/33/88/568823388.db2.gz DYLCCLIASBJWHF-UHFFFAOYSA-N 0 0 419.462 5.523 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)oc2c(C)c1 ZINC000001208026 568823453 /nfs/dbraw/zinc/82/34/53/568823453.db2.gz ZGMIXXLQEYCPNP-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000001208067 568823404 /nfs/dbraw/zinc/82/34/04/568823404.db2.gz CXMFIEGQEIBBKM-UHFFFAOYSA-N 0 0 419.462 5.197 50 5 HKBARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000001208155 568823408 /nfs/dbraw/zinc/82/34/08/568823408.db2.gz QHRZGNIPUVBQGD-UHFFFAOYSA-N 0 0 401.422 5.526 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)sc2c1 ZINC000001208276 568823401 /nfs/dbraw/zinc/82/34/01/568823401.db2.gz BDQSHGITPWSNLJ-UHFFFAOYSA-N 0 0 419.462 5.197 50 5 HKBARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1[N+](=O)[O-] ZINC000001208287 568823423 /nfs/dbraw/zinc/82/34/23/568823423.db2.gz VYOKWXVWCNINSV-UHFFFAOYSA-N 0 0 417.421 5.362 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001208296 568823451 /nfs/dbraw/zinc/82/34/51/568823451.db2.gz YIGONIDTUVOZOW-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)oc2cc1C ZINC000001208306 568823445 /nfs/dbraw/zinc/82/34/45/568823445.db2.gz XYFGIQSRSAKJPT-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1[N+](=O)[O-] ZINC000001208316 568823406 /nfs/dbraw/zinc/82/34/06/568823406.db2.gz GIHXHSRMLLMERL-UHFFFAOYSA-N 0 0 421.384 5.193 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)oc2cc1C ZINC000001208513 568823424 /nfs/dbraw/zinc/82/34/24/568823424.db2.gz ASZHKTBKWSAIFS-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000001208633 568823622 /nfs/dbraw/zinc/82/36/22/568823622.db2.gz BUINRMKSGQLSKL-UHFFFAOYSA-N 0 0 403.394 5.054 50 5 HKBARN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000001208809 568823568 /nfs/dbraw/zinc/82/35/68/568823568.db2.gz PWPKSJXPRPBTKD-UHFFFAOYSA-N 0 0 409.401 5.809 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000001208851 568823599 /nfs/dbraw/zinc/82/35/99/568823599.db2.gz UKMZWJWBIHEHAO-UHFFFAOYSA-N 0 0 417.421 5.362 50 5 HKBARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000001208907 568823552 /nfs/dbraw/zinc/82/35/52/568823552.db2.gz KUNVBBCTYXZMAI-UHFFFAOYSA-N 0 0 403.394 5.054 50 5 HKBARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1[N+](=O)[O-] ZINC000001208923 568823594 /nfs/dbraw/zinc/82/35/94/568823594.db2.gz BOPSFVUPNRHAPE-UHFFFAOYSA-N 0 0 417.421 5.281 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1[N+](=O)[O-] ZINC000001208936 568823585 /nfs/dbraw/zinc/82/35/85/568823585.db2.gz JEVJOPMUJVSQDR-UHFFFAOYSA-N 0 0 417.421 5.362 50 5 HKBARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001209491 568823950 /nfs/dbraw/zinc/82/39/50/568823950.db2.gz KOWXEHHGVROCRW-UHFFFAOYSA-N 0 0 417.421 5.226 50 5 HKBARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000001209498 568823602 /nfs/dbraw/zinc/82/36/02/568823602.db2.gz WDXSMPRXRIEFQO-UHFFFAOYSA-N 0 0 401.422 5.526 50 5 HKBARN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1[N+](=O)[O-] ZINC000001209594 568823553 /nfs/dbraw/zinc/82/35/53/568823553.db2.gz HZAKOPIWCCGFAV-UHFFFAOYSA-N 0 0 416.437 5.098 50 5 aggregator HKBARN CCc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 ZINC000001209644 568823606 /nfs/dbraw/zinc/82/36/06/568823606.db2.gz QQKBNZFZFOSTFD-UHFFFAOYSA-N 0 0 421.840 5.871 50 5 HKBARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000001209662 568823562 /nfs/dbraw/zinc/82/35/62/568823562.db2.gz CUOMFKMVLVURKI-UHFFFAOYSA-N 0 0 417.465 5.397 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)oc2c(C)c1 ZINC000001209685 568823579 /nfs/dbraw/zinc/82/35/79/568823579.db2.gz PUSYXKCMLADANJ-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 ZINC000001209686 568823546 /nfs/dbraw/zinc/82/35/46/568823546.db2.gz JXGDGZZLPLPZBA-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)oc2cc1C ZINC000001209711 568823556 /nfs/dbraw/zinc/82/35/56/568823556.db2.gz MFIQNKMNFZLWOX-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1ccc2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3O)nc2c1 ZINC000001209755 568823718 /nfs/dbraw/zinc/82/37/18/568823718.db2.gz SHUYWHONXMVCBK-UHFFFAOYSA-N 0 0 423.812 5.323 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)oc2cc1C ZINC000001209765 568823814 /nfs/dbraw/zinc/82/38/14/568823814.db2.gz WAZYUDWPQWJPCQ-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000001209818 568823732 /nfs/dbraw/zinc/82/37/32/568823732.db2.gz PZQFNUBJYOMBRN-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000001210046 568823691 /nfs/dbraw/zinc/82/36/91/568823691.db2.gz DLMBYGNJQLLKOB-UHFFFAOYSA-N 0 0 405.435 5.138 50 5 HKBARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001210123 571043522 /nfs/dbraw/zinc/04/35/22/571043522.db2.gz BVHBIIZXRRMLGW-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1[N+](=O)[O-] ZINC000001210342 568824202 /nfs/dbraw/zinc/82/42/02/568824202.db2.gz RTYRBQUKRBTSTD-UHFFFAOYSA-N 0 0 417.421 5.362 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)oc2cc1C ZINC000001210678 568824424 /nfs/dbraw/zinc/82/44/24/568824424.db2.gz SUGPNVTZYDFRMI-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1[N+](=O)[O-] ZINC000001210775 568824406 /nfs/dbraw/zinc/82/44/06/568824406.db2.gz WELWTDBZKSBEOG-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001210808 568824390 /nfs/dbraw/zinc/82/43/90/568824390.db2.gz MWTCCJBHPGPXBS-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1[N+](=O)[O-] ZINC000001210812 568824432 /nfs/dbraw/zinc/82/44/32/568824432.db2.gz FLOHSILWSIUYAN-UHFFFAOYSA-N 0 0 417.421 5.362 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000001210830 568824422 /nfs/dbraw/zinc/82/44/22/568824422.db2.gz AQSJVWMYCHJXQZ-UHFFFAOYSA-N 0 0 417.421 5.362 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1[N+](=O)[O-] ZINC000001210939 568824423 /nfs/dbraw/zinc/82/44/23/568824423.db2.gz SFZGSSMBPLYHPI-UHFFFAOYSA-N 0 0 421.384 5.193 50 5 HKBARN Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)ccc1[N+](=O)[O-] ZINC000001211944 568824509 /nfs/dbraw/zinc/82/45/09/568824509.db2.gz GWRYTAICYZZKFA-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)oc2cc1C ZINC000001212068 568824628 /nfs/dbraw/zinc/82/46/28/568824628.db2.gz LIEDKNQTSMIEAH-UHFFFAOYSA-N 0 0 415.449 5.889 50 5 HKBARN Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001212091 568824620 /nfs/dbraw/zinc/82/46/20/568824620.db2.gz CDDGKLJXYALAMP-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)oc2cc1C ZINC000001212125 568824641 /nfs/dbraw/zinc/82/46/41/568824641.db2.gz YMFXYEHLLJFKPJ-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1[N+](=O)[O-] ZINC000001212179 568824506 /nfs/dbraw/zinc/82/45/06/568824506.db2.gz GHXVITLNYCBFTO-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000001212224 568824762 /nfs/dbraw/zinc/82/47/62/568824762.db2.gz IWSQHWFULMAOLS-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1cc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)ccc1[N+](=O)[O-] ZINC000001212236 568824771 /nfs/dbraw/zinc/82/47/71/568824771.db2.gz DWQWBOPLLJNPGL-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001212620 568824748 /nfs/dbraw/zinc/82/47/48/568824748.db2.gz UYDMCGBLOBCSQV-UHFFFAOYSA-N 0 0 424.416 5.650 50 5 HKBARN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000001212696 568824667 /nfs/dbraw/zinc/82/46/67/568824667.db2.gz CZNWARUJLBUHRS-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 ZINC000001215897 568824713 /nfs/dbraw/zinc/82/47/13/568824713.db2.gz KCKXAMNZMHVUQO-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)c1 ZINC000001215972 568824783 /nfs/dbraw/zinc/82/47/83/568824783.db2.gz LTILGFJYDNHNHC-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccccc1-c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2o1 ZINC000001216283 568824795 /nfs/dbraw/zinc/82/47/95/568824795.db2.gz NDRPFWBIJJSRDV-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1cc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3Cl)oc2cc1C ZINC000001216324 568824781 /nfs/dbraw/zinc/82/47/81/568824781.db2.gz GJAPTVBKVIQBDK-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3C)nc2c1 ZINC000001216606 568824751 /nfs/dbraw/zinc/82/47/51/568824751.db2.gz IGGNXXXPDFLMBY-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)oc2c1 ZINC000001216672 568824697 /nfs/dbraw/zinc/82/46/97/568824697.db2.gz VCBVQBXGSJFWAI-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)ccc1[N+](=O)[O-] ZINC000001216676 568824652 /nfs/dbraw/zinc/82/46/52/568824652.db2.gz IDBXAWFXODMRSZ-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001216709 568824931 /nfs/dbraw/zinc/82/49/31/568824931.db2.gz URCGOVSHZAWRSG-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1 ZINC000001216745 568824939 /nfs/dbraw/zinc/82/49/39/568824939.db2.gz WFEBALYYDASKIV-UHFFFAOYSA-N 0 0 421.840 5.871 50 5 HKBARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001216849 568824860 /nfs/dbraw/zinc/82/48/60/568824860.db2.gz LYRZUNSJJYMCLS-UHFFFAOYSA-N 0 0 409.785 5.014 50 5 HKBARN Cc1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1C ZINC000001216916 568824872 /nfs/dbraw/zinc/82/48/72/568824872.db2.gz ZGBFGNDEHGPHIQ-UKTHLTGXSA-N 0 0 400.434 5.095 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001216921 568824868 /nfs/dbraw/zinc/82/48/68/568824868.db2.gz AQWSGXWBMXFCOO-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000001217322 568824906 /nfs/dbraw/zinc/82/49/06/568824906.db2.gz PKPVPIAZFAYQEG-UHFFFAOYSA-N 0 0 406.225 5.426 50 5 HKBARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001217333 568824934 /nfs/dbraw/zinc/82/49/34/568824934.db2.gz JWIHLRFXFSEKKK-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2cccs2)nc2ccccc21 ZINC000001217804 568824870 /nfs/dbraw/zinc/82/48/70/568824870.db2.gz LJEABNQISBZLSV-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001218000 568824869 /nfs/dbraw/zinc/82/48/69/568824869.db2.gz GKXWTKMQJRHARO-SNAWJCMRSA-N 0 0 404.266 5.284 50 5 HKBARN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000001218404 568824858 /nfs/dbraw/zinc/82/48/58/568824858.db2.gz UOYZSRHHOJICOD-UHFFFAOYSA-N 0 0 408.266 5.201 50 5 aggregator HKBARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001218900 557247848 /nfs/dbraw/zinc/24/78/48/557247848.db2.gz WOJYWRMVLZDDPP-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001218918 568825089 /nfs/dbraw/zinc/82/50/89/568825089.db2.gz OWMXSYFBVKPATR-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1[N+](=O)[O-] ZINC000001218946 568825113 /nfs/dbraw/zinc/82/51/13/568825113.db2.gz FWENDCVYMYFIRT-UHFFFAOYSA-N 0 0 419.462 5.441 50 5 HKBARN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1-c1nc2ccccc2o1 ZINC000001218968 568825112 /nfs/dbraw/zinc/82/51/12/568825112.db2.gz IUMBFSWTMMVUJO-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccc([N+](=O)[O-])c1 ZINC000001218998 568825121 /nfs/dbraw/zinc/82/51/21/568825121.db2.gz LAIWKZWTIXXGOA-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1 ZINC000001219781 132242856 /nfs/dbraw/zinc/24/28/56/132242856.db2.gz GMEDBELJHZRJEW-UHFFFAOYSA-N 0 0 421.453 5.106 50 5 HKBARN CCc1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 ZINC000001219990 568825080 /nfs/dbraw/zinc/82/50/80/568825080.db2.gz HEUYKAUHNAOLFC-UHFFFAOYSA-N 0 0 421.840 5.871 50 5 HKBARN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000001228491 568838421 /nfs/dbraw/zinc/83/84/21/568838421.db2.gz ZOIKADXDOOSTED-UHFFFAOYSA-N 0 0 409.401 5.809 50 5 HKBARN CCc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000001228946 568838443 /nfs/dbraw/zinc/83/84/43/568838443.db2.gz PRNXPCMHWOKHCR-UHFFFAOYSA-N 0 0 401.422 5.526 50 5 HKBARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1[N+](=O)[O-] ZINC000001228953 568838504 /nfs/dbraw/zinc/83/85/04/568838504.db2.gz OFVHWYKPERAKET-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000001230245 568877195 /nfs/dbraw/zinc/87/71/95/568877195.db2.gz JQBHWGUFWNZFFH-UHFFFAOYSA-N 0 0 413.227 5.402 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)o1 ZINC000001235166 568886100 /nfs/dbraw/zinc/88/61/00/568886100.db2.gz BJGQAAKCHVQAQC-NQIIRXRSSA-N 0 0 409.829 5.392 50 5 HKBARN Cc1cc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)ccc1[N+](=O)[O-] ZINC000001235179 568877553 /nfs/dbraw/zinc/87/75/53/568877553.db2.gz OSGAVJJZOQUPDH-UHFFFAOYSA-N 0 0 418.272 5.042 50 5 HKBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000001244588 568908431 /nfs/dbraw/zinc/90/84/31/568908431.db2.gz BYXXXGBLCZYQJW-OVCLIPMQSA-N 0 0 406.872 5.156 50 5 HKBARN Cc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1 ZINC000001262704 568909315 /nfs/dbraw/zinc/90/93/15/568909315.db2.gz MRFVVPFOUUSZNW-UHFFFAOYSA-N 0 0 419.436 6.566 50 5 HKBARN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(F)cc1 ZINC000001268577 568909534 /nfs/dbraw/zinc/90/95/34/568909534.db2.gz GOHJNJPAXIUMPV-UHFFFAOYSA-N 0 0 423.399 6.396 50 5 HKBARN Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n3c2ccc2ccccc23)cc1 ZINC000001287657 557253637 /nfs/dbraw/zinc/25/36/37/557253637.db2.gz IRLSMVZFQVRALM-UHFFFAOYSA-N 0 0 423.497 5.330 50 5 HKBARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001295018 132243792 /nfs/dbraw/zinc/24/37/92/132243792.db2.gz HUIHOZOTCUVPAF-MGPUTAFESA-N 0 0 421.884 5.840 50 5 HKBARN CCc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1 ZINC000001296427 568913055 /nfs/dbraw/zinc/91/30/55/568913055.db2.gz GIZGABZABOZNEU-UHFFFAOYSA-N 0 0 405.841 5.177 50 5 aggregator HKBARN Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc(C)c1Cl ZINC000001299809 568913361 /nfs/dbraw/zinc/91/33/61/568913361.db2.gz YWFNFGATYJUWPX-UHFFFAOYSA-N 0 0 405.841 6.268 50 5 HKBARN CC(=O)n1c2ccccc2c2nn3c(nc(-c4ccccc4)c3-c3ccccc3)nc21 ZINC000001300448 568913178 /nfs/dbraw/zinc/91/31/78/568913178.db2.gz GGZFJOIOYBLHIA-UHFFFAOYSA-N 0 0 403.445 5.226 50 5 HKBARN C[C@H]1CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc21 ZINC000001301496 132243744 /nfs/dbraw/zinc/24/37/44/132243744.db2.gz RCYNDAWMERDRRT-LBPRGKRZSA-N 0 0 414.914 6.396 50 5 HKBARN C[C@@H]1CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc21 ZINC000001301497 132243815 /nfs/dbraw/zinc/24/38/15/132243815.db2.gz RCYNDAWMERDRRT-GFCCVEGCSA-N 0 0 414.914 6.396 50 5 HKBARN O=[N+]([O-])c1ccc(-c2cn3c4ccccc4n(Cc4ccc(Cl)cc4)c3n2)cc1 ZINC000001304250 568913567 /nfs/dbraw/zinc/91/35/67/568913567.db2.gz ZAHPWLHZYYFWMC-UHFFFAOYSA-N 0 0 402.841 5.566 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 ZINC000001309652 568913705 /nfs/dbraw/zinc/91/37/05/568913705.db2.gz LHDVUMBOOYJMBL-OAQYLSRUSA-N 0 0 402.479 5.143 50 5 HKBARN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000001310115 568913733 /nfs/dbraw/zinc/91/37/33/568913733.db2.gz BADQDRUXFWCMJD-UHFFFAOYSA-N 0 0 401.344 5.925 50 5 HKBARN Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cccc1[N+](=O)[O-] ZINC000001311271 132243900 /nfs/dbraw/zinc/24/39/00/132243900.db2.gz XTWXUYHRACKUDC-UHFFFAOYSA-N 0 0 407.392 5.165 50 5 HKBARN Cc1cccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c1 ZINC000001311845 568913919 /nfs/dbraw/zinc/91/39/19/568913919.db2.gz JQSRJZZUWIUNQA-UHFFFAOYSA-N 0 0 419.436 6.566 50 5 HKBARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)ccc1[N+](=O)[O-] ZINC000001314047 132243887 /nfs/dbraw/zinc/24/38/87/132243887.db2.gz OWTRIISKRAXGEG-UHFFFAOYSA-N 0 0 407.392 5.165 50 5 HKBARN O=C(Nc1ccccc1Sc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000001324147 568914118 /nfs/dbraw/zinc/91/41/18/568914118.db2.gz LMOPSARPJQLGHE-UHFFFAOYSA-N 0 0 419.384 5.412 50 5 HKBARN COc1ccc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000001386993 568922729 /nfs/dbraw/zinc/92/27/29/568922729.db2.gz YRDGXNRCQGGWMM-UHFFFAOYSA-N 0 0 414.870 5.660 50 5 HKBARN COc1ccc(OC)c(NC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000001386999 568922742 /nfs/dbraw/zinc/92/27/42/568922742.db2.gz PJSXAFFZUHSWOX-UHFFFAOYSA-N 0 0 410.451 5.016 50 5 HKBARN Cc1cc(C)cc(COn2c3cc([N+](=O)[O-])ccc3nc2-c2ccc(Cl)cc2)c1 ZINC000001389384 568923378 /nfs/dbraw/zinc/92/33/78/568923378.db2.gz SYPPKYPGGJPUME-UHFFFAOYSA-N 0 0 407.857 5.511 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccc(Cl)cc3)c2c1 ZINC000001389398 568923432 /nfs/dbraw/zinc/92/34/32/568923432.db2.gz RCFHYKYZDFIACM-UHFFFAOYSA-N 0 0 414.248 5.547 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3cccc(Cl)c3)c2c1 ZINC000001389400 568923420 /nfs/dbraw/zinc/92/34/20/568923420.db2.gz SKATVAXGKUJJIY-UHFFFAOYSA-N 0 0 414.248 5.547 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccccc3Cl)c2c1 ZINC000001389401 568923434 /nfs/dbraw/zinc/92/34/34/568923434.db2.gz QYHFGVXMPCVRPU-UHFFFAOYSA-N 0 0 414.248 5.547 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3cccc(C(F)(F)F)c3)c2c1 ZINC000001389416 568923427 /nfs/dbraw/zinc/92/34/27/568923427.db2.gz DOSRAEYBTIBARX-UHFFFAOYSA-N 0 0 413.355 5.259 50 5 HKBARN Cc1ccc2oc3nc(C)c(C(=O)Nc4cccc(C(F)(F)F)c4)cc3c(=O)c2c1 ZINC000001390939 568924409 /nfs/dbraw/zinc/92/44/09/568924409.db2.gz UKKKEUOSAONVFI-UHFFFAOYSA-N 0 0 412.367 5.229 50 5 HKBARN O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001392305 568924907 /nfs/dbraw/zinc/92/49/07/568924907.db2.gz YUWIOPGJOSOFAW-UHFFFAOYSA-N 0 0 417.248 5.733 50 5 HKBARN O=C(Nc1ccc(Cl)cc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F ZINC000001399831 568926045 /nfs/dbraw/zinc/92/60/45/568926045.db2.gz YXKQZLGXBSQZHF-UHFFFAOYSA-N 0 0 418.758 5.266 50 5 HKBARN NC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000001400958 568927000 /nfs/dbraw/zinc/92/70/00/568927000.db2.gz ZUVQMPMKZURSLZ-UHFFFAOYSA-N 0 0 405.841 5.017 50 5 HKBARN O=[N+]([O-])c1c(-c2cn(-c3ccccc3F)nc2C(F)(F)F)ccc2ccccc21 ZINC000001401029 568927041 /nfs/dbraw/zinc/92/70/41/568927041.db2.gz TVDDCPBMWXJRCF-UHFFFAOYSA-N 0 0 401.319 5.759 50 5 HKBARN O=[N+]([O-])c1c(-c2cn(-c3ccc(F)cc3)nc2C(F)(F)F)ccc2ccccc21 ZINC000001401031 568926982 /nfs/dbraw/zinc/92/69/82/568926982.db2.gz GTUKVGLACIUDKJ-UHFFFAOYSA-N 0 0 401.319 5.759 50 5 HKBARN Cc1c(Cl)cccc1NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC000001401448 568927235 /nfs/dbraw/zinc/92/72/35/568927235.db2.gz WHJDDVUCWAZLDG-UHFFFAOYSA-N 0 0 406.822 5.802 50 5 HKBARN O=C(Nc1ccccc1)c1sccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000001401451 568927154 /nfs/dbraw/zinc/92/71/54/568927154.db2.gz FJMCLPRNHFESHV-UHFFFAOYSA-N 0 0 408.357 5.720 50 5 HKBARN O=[N+]([O-])c1ccc(Cn2c3ccccc3c3c2-c2nc4ccccc4cc2CC3)cc1 ZINC000001402322 568927580 /nfs/dbraw/zinc/92/75/80/568927580.db2.gz TZWAVRDFSHSQBU-UHFFFAOYSA-N 0 0 405.457 5.912 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)nc1 ZINC000001405976 568928037 /nfs/dbraw/zinc/92/80/37/568928037.db2.gz GEAYNTCKUUXXGJ-UHFFFAOYSA-N 0 0 409.751 5.440 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2Cl)c(Br)c1 ZINC000001406379 568928200 /nfs/dbraw/zinc/92/82/00/568928200.db2.gz DXGLNKNPPCHBFI-UHFFFAOYSA-N 0 0 407.445 5.566 50 5 HKBARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001408134 568926649 /nfs/dbraw/zinc/92/66/49/568926649.db2.gz WVXRWKZGHBBUAH-UHFFFAOYSA-N 0 0 406.829 5.352 50 5 HKBARN Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)ccc1[N+](=O)[O-] ZINC000001413915 568929411 /nfs/dbraw/zinc/92/94/11/568929411.db2.gz RGMSBEMUAYXGDR-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CCc1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000001413921 568929519 /nfs/dbraw/zinc/92/95/19/568929519.db2.gz YVTXOPMUECSEBP-UHFFFAOYSA-N 0 0 401.422 5.526 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)oc2c(C)c1 ZINC000001413925 568929513 /nfs/dbraw/zinc/92/95/13/568929513.db2.gz YCDSQLKASSDXKN-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3C)oc2c(C)c1 ZINC000001413939 568929530 /nfs/dbraw/zinc/92/95/30/568929530.db2.gz DKAFCSUOPFKGOR-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001413999 568929504 /nfs/dbraw/zinc/92/95/04/568929504.db2.gz ILXYWTCQOTXZLJ-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001414000 568929531 /nfs/dbraw/zinc/92/95/31/568929531.db2.gz INLDQLUDPSLTTL-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000001414892 568933676 /nfs/dbraw/zinc/93/36/76/568933676.db2.gz MFYHEKDVTSQAPV-UHFFFAOYSA-N 0 0 418.192 5.555 50 5 HKBARN COc1cc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc(Cl)c1O ZINC000001421436 568938071 /nfs/dbraw/zinc/93/80/71/568938071.db2.gz YTOFFDOBCYRESD-UHFFFAOYSA-N 0 0 412.876 6.485 50 5 HKBARN c1coc(-c2cc(-c3ccccc3)nc3sc4c5nc6ccccc6n5nnc4c32)c1 ZINC000001421748 568938349 /nfs/dbraw/zinc/93/83/49/568938349.db2.gz KNUVOWVVIYYNOY-UHFFFAOYSA-N 0 0 419.469 5.967 50 5 HKBARN COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])o3)c(NC(=O)c3ccccc3)c21 ZINC000001426562 568939208 /nfs/dbraw/zinc/93/92/08/568939208.db2.gz BCISMKLQBURVRD-UHFFFAOYSA-N 0 0 423.450 5.172 50 5 HKBARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001429160 568936609 /nfs/dbraw/zinc/93/66/09/568936609.db2.gz ZTEXSOFKYCKZMG-UHFFFAOYSA-N 0 0 410.735 5.779 50 5 HKBARN O=C(Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 ZINC000001430509 568940153 /nfs/dbraw/zinc/94/01/53/568940153.db2.gz NBJODVUZTUSCMC-UHFFFAOYSA-N 0 0 410.788 5.916 50 5 HKBARN CC(=O)N(C)c1cc([N+](=O)[O-])cc2c1C=Cc1cc(OCc3ccccc3)ccc1O2 ZINC000001432441 571044466 /nfs/dbraw/zinc/04/44/66/571044466.db2.gz SBISNEZKNSQKRG-UHFFFAOYSA-N 0 0 416.433 5.433 50 5 HKBARN Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 ZINC000001432949 568941330 /nfs/dbraw/zinc/94/13/30/568941330.db2.gz LNAUKEOMGBVBJU-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000001447948 568985172 /nfs/dbraw/zinc/98/51/72/568985172.db2.gz RPJBBNYQBJGATO-UHFFFAOYSA-N 0 0 421.792 5.241 50 5 biogenic HKBARN COc1ccc([C@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2nccc3ccccc32)cc1 ZINC000001448896 568968990 /nfs/dbraw/zinc/96/89/90/568968990.db2.gz LVWRWWYJZNDQQN-QHCPKHFHSA-N 0 0 414.417 5.098 50 5 HKBARN COc1ccc([C@@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2nccc3ccccc32)cc1 ZINC000001448897 568968940 /nfs/dbraw/zinc/96/89/40/568968940.db2.gz LVWRWWYJZNDQQN-HSZRJFAPSA-N 0 0 414.417 5.098 50 5 HKBARN Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)N(c1ccccc1)C(C)C ZINC000001448956 557267156 /nfs/dbraw/zinc/26/71/56/557267156.db2.gz VOBBEZRNLATODM-UHFFFAOYSA-N 0 0 408.505 5.488 50 5 HKBARN Brc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000001452881 568986548 /nfs/dbraw/zinc/98/65/48/568986548.db2.gz MQDJWJNJWKTCLZ-UHFFFAOYSA-N 0 0 418.294 5.579 50 5 HKBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000001463161 568988886 /nfs/dbraw/zinc/98/88/86/568988886.db2.gz VYFIVIQYNCSYIM-HXUWFJFHSA-N 0 0 406.869 5.906 50 5 HKBARN COc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000001463162 568988776 /nfs/dbraw/zinc/98/87/76/568988776.db2.gz VYFIVIQYNCSYIM-FQEVSTJZSA-N 0 0 406.869 5.906 50 5 HKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccccc2)cc1OC ZINC000001463192 568988824 /nfs/dbraw/zinc/98/88/24/568988824.db2.gz KBOVZVRGNGKAKY-IBGZPJMESA-N 0 0 402.450 5.261 50 5 HKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccccc2)cc1OC ZINC000001463193 568988981 /nfs/dbraw/zinc/98/89/81/568988981.db2.gz KBOVZVRGNGKAKY-LJQANCHMSA-N 0 0 402.450 5.261 50 5 HKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2cccs2)cc1OC ZINC000001463194 568989028 /nfs/dbraw/zinc/98/90/28/568989028.db2.gz CHPRTAOZXUPJOI-INIZCTEOSA-N 0 0 408.479 5.322 50 5 HKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2cccs2)cc1OC ZINC000001463195 568988999 /nfs/dbraw/zinc/98/89/99/568988999.db2.gz CHPRTAOZXUPJOI-MRXNPFEDSA-N 0 0 408.479 5.322 50 5 HKBARN COc1ccccc1-c1c(C)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1=O ZINC000001463872 568988977 /nfs/dbraw/zinc/98/89/77/568988977.db2.gz HLVCGAVGNPWXEU-UHFFFAOYSA-N 0 0 417.417 5.264 50 5 biogenic HKBARN Cc1nn(C(=O)c2ccc(Cl)cc2Cl)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000001465101 568988036 /nfs/dbraw/zinc/98/80/36/568988036.db2.gz VDYDKWUGRMFUQS-UHFFFAOYSA-N 0 0 422.293 5.555 50 5 HKBARN COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)scc1-c1ccccc1 ZINC000001465771 568990623 /nfs/dbraw/zinc/99/06/23/568990623.db2.gz IYIKPVZKLIYGRB-UHFFFAOYSA-N 0 0 416.842 5.016 50 5 HKBARN Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001471319 568994528 /nfs/dbraw/zinc/99/45/28/568994528.db2.gz UNACQXJBTDIKHJ-UHFFFAOYSA-N 0 0 413.524 5.188 50 5 HKBARN CCOc1cc2nc3c4cc(Br)ccc4n(CC)c3nc2cc1OCC ZINC000001471353 568994518 /nfs/dbraw/zinc/99/45/18/568994518.db2.gz CNCQUHKAQGMTRS-UHFFFAOYSA-N 0 0 414.303 5.318 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)oc2cc1C ZINC000001505731 569006754 /nfs/dbraw/zinc/00/67/54/569006754.db2.gz QUPOWUDSZYRQPW-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000001505737 569005853 /nfs/dbraw/zinc/00/58/53/569005853.db2.gz IVBUQSTWBZSRLX-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3N2)cc1 ZINC000001506538 569006852 /nfs/dbraw/zinc/00/68/52/569006852.db2.gz SVNVSLROTCBEPQ-OAQYLSRUSA-N 0 0 422.282 6.035 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3N2)cc1 ZINC000001506543 569006860 /nfs/dbraw/zinc/00/68/60/569006860.db2.gz SVNVSLROTCBEPQ-NRFANRHFSA-N 0 0 422.282 6.035 50 5 HKBARN O=C(Nc1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000001507312 569007033 /nfs/dbraw/zinc/00/70/33/569007033.db2.gz BYNUKLBZLDIXTC-UHFFFAOYSA-N 0 0 404.756 5.571 50 5 HKBARN Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1 ZINC000001507802 569007153 /nfs/dbraw/zinc/00/71/53/569007153.db2.gz QQYKFZSRJNJNRV-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000001508198 569005797 /nfs/dbraw/zinc/00/57/97/569005797.db2.gz XAIWSLYSJOSYIT-UHFFFAOYSA-N 0 0 401.447 5.638 50 5 HKBARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000001510875 569007707 /nfs/dbraw/zinc/00/77/07/569007707.db2.gz QGENZVUCRZZWKE-UHFFFAOYSA-N 0 0 415.232 5.385 50 5 HKBARN Brc1ccc2c(c1)cc(-c1nc3ccccc3[nH]1)c1nc3ccccc3n12 ZINC000001511554 569009295 /nfs/dbraw/zinc/00/92/95/569009295.db2.gz QBANFPTXWIKVRN-UHFFFAOYSA-N 0 0 413.278 5.947 50 5 HKBARN Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2n1-c1ccccc1 ZINC000001511743 569009272 /nfs/dbraw/zinc/00/92/72/569009272.db2.gz KHZFHCNQLYLQKD-UHFFFAOYSA-N 0 0 406.829 5.148 50 5 HKBARN Clc1cc(Cn2c3ccccc3c3nc4ccccc4nc32)c2c(c1)COCO2 ZINC000001515776 568694196 /nfs/dbraw/zinc/69/41/96/568694196.db2.gz DNLNCGBOEGCBSO-UHFFFAOYSA-N 0 0 401.853 5.306 50 5 HKBARN NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(C(=O)c2ccccc2)cc1 ZINC000001516027 569010001 /nfs/dbraw/zinc/01/00/01/569010001.db2.gz ZFKDOWNMKOVTAP-OHYPFYFLSA-N 0 0 418.452 5.148 50 5 HKBARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001517856 569011429 /nfs/dbraw/zinc/01/14/29/569011429.db2.gz VGVXUPOTSFPJGZ-UHFFFAOYSA-N 0 0 409.785 5.014 50 5 HKBARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001517892 569011427 /nfs/dbraw/zinc/01/14/27/569011427.db2.gz RLNVDLPLBVBIHO-UHFFFAOYSA-N 0 0 409.785 5.014 50 5 HKBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Oc2ccccc2)cc1 ZINC000001518220 569011664 /nfs/dbraw/zinc/01/16/64/569011664.db2.gz FZVJXEONZLYATH-UHFFFAOYSA-N 0 0 417.446 5.763 50 5 HKBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)nc21 ZINC000001518267 569011684 /nfs/dbraw/zinc/01/16/84/569011684.db2.gz FPDWQDODQSNXBH-UHFFFAOYSA-N 0 0 421.434 5.258 50 5 HKBARN O=C(OCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000001586675 569030620 /nfs/dbraw/zinc/03/06/20/569030620.db2.gz CCQWXBGBMVMYRT-UHFFFAOYSA-N 0 0 424.158 5.156 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2 ZINC000001653240 569031663 /nfs/dbraw/zinc/03/16/63/569031663.db2.gz RCTXAWWKLZRCFU-YUMQZZPRSA-N 0 0 415.871 5.111 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[C@H](C(Cl)(Cl)Cl)O2 ZINC000001653241 569031643 /nfs/dbraw/zinc/03/16/43/569031643.db2.gz RCTXAWWKLZRCFU-JGVFFNPUSA-N 0 0 415.871 5.111 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2 ZINC000001653242 569031638 /nfs/dbraw/zinc/03/16/38/569031638.db2.gz RCTXAWWKLZRCFU-SFYZADRCSA-N 0 0 415.871 5.111 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[C@H](C(Cl)(Cl)Cl)O2 ZINC000001653243 569031695 /nfs/dbraw/zinc/03/16/95/569031695.db2.gz RCTXAWWKLZRCFU-HTQZYQBOSA-N 0 0 415.871 5.111 50 5 HKBARN O=c1c2ccccc2c2ccccc2nc1-c1nc2ccccc2c2ccccc2c1=O ZINC000001660937 569031704 /nfs/dbraw/zinc/03/17/04/569031704.db2.gz YKYZLIJAYCKHLR-UHFFFAOYSA-N 0 0 412.448 5.477 50 5 HKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001671152 569031744 /nfs/dbraw/zinc/03/17/44/569031744.db2.gz JZOKZEROYRPYIF-UHFFFAOYSA-N 0 0 412.267 5.692 50 5 HKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccccc2)cc1 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CCc1ccc([C@]2(C)CC(C)(C)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000001772092 536194826 /nfs/dbraw/zinc/19/48/26/536194826.db2.gz OCXZHXNDKKLPLW-MHZLTWQESA-N 0 0 414.549 6.652 50 5 HKBARN O=[N+]([O-])c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1 ZINC000001773030 569052361 /nfs/dbraw/zinc/05/23/61/569052361.db2.gz HHEBUZXMKAPUMD-UHFFFAOYSA-N 0 0 411.248 6.255 50 5 HKBARN CCc1ccc(OCCCC(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc1 ZINC000001773862 569052465 /nfs/dbraw/zinc/05/24/65/569052465.db2.gz PMKDKXCKHUOEOY-UHFFFAOYSA-N 0 0 402.446 5.273 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000001774783 569052513 /nfs/dbraw/zinc/05/25/13/569052513.db2.gz RBGFRTDQQDAHAM-UHFFFAOYSA-N 0 0 411.248 6.255 50 5 HKBARN COc1ccc(Cl)cc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000001774786 569052381 /nfs/dbraw/zinc/05/23/81/569052381.db2.gz PJDVNOANVKSNQB-UHFFFAOYSA-N 0 0 406.829 5.611 50 5 HKBARN CCCCOc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)cc1 ZINC000001774787 569052516 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BWFLSDHMJMRVAU-VGOFMYFVSA-N 0 0 401.447 5.523 50 5 HKBARN O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(-c3ccccc3)nn12 ZINC000001803350 557289619 /nfs/dbraw/zinc/28/96/19/557289619.db2.gz UNGAMXMVLYSUMH-UHFFFAOYSA-N 0 0 405.482 5.791 50 5 HKBARN O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(-c3ccc(F)cc3)nn12 ZINC000001803389 557289591 /nfs/dbraw/zinc/28/95/91/557289591.db2.gz SMHUSZGHZLBURN-UHFFFAOYSA-N 0 0 423.472 5.931 50 5 HKBARN CCCCCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001807762 568836770 /nfs/dbraw/zinc/83/67/70/568836770.db2.gz HKKMISWGVONRBT-UHFFFAOYSA-N 0 0 404.850 5.238 50 5 HKBARN CCCCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000001808589 569053392 /nfs/dbraw/zinc/05/33/92/569053392.db2.gz QAEZXKMYXPSCNJ-UHFFFAOYSA-N 0 0 404.850 5.238 50 5 HKBARN O=[N+]([O-])c1cccc(-c2csc(-c3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2)c1 ZINC000001809613 569053739 /nfs/dbraw/zinc/05/37/39/569053739.db2.gz NZFBWIZQOZHKOL-UHFFFAOYSA-N 0 0 410.436 5.417 50 5 HKBARN O=C1c2ccccc2-c2c1c(-c1ccc([N+](=O)[O-])cc1)nc1ccc3ccccc3c21 ZINC000001811920 569056141 /nfs/dbraw/zinc/05/61/41/569056141.db2.gz PZDRNBJSQBNVRO-UHFFFAOYSA-N 0 0 402.409 6.175 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000001815688 569056127 /nfs/dbraw/zinc/05/61/27/569056127.db2.gz JALKQNYWFMXWNM-UHFFFAOYSA-N 0 0 410.355 5.967 50 5 HKBARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000001817483 534935926 /nfs/dbraw/zinc/93/59/26/534935926.db2.gz JOSNQQOQDRGXQA-RUZDIDTESA-N 0 0 400.478 5.730 50 5 HKBARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000001817484 132247937 /nfs/dbraw/zinc/24/79/37/132247937.db2.gz JOSNQQOQDRGXQA-VWLOTQADSA-N 0 0 400.478 5.730 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000001820887 569056209 /nfs/dbraw/zinc/05/62/09/569056209.db2.gz IRVUAMSCEGEZEN-UHFFFAOYSA-N 0 0 407.882 6.151 50 5 HKBARN O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(-c2ccccc2)cc1 ZINC000001821991 569056205 /nfs/dbraw/zinc/05/62/05/569056205.db2.gz FEEYJHCRCBCYME-UHFFFAOYSA-N 0 0 419.440 6.664 50 5 HKBARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000001822361 569056244 /nfs/dbraw/zinc/05/62/44/569056244.db2.gz ALYZJQCCXDFYMP-QRXVHFADSA-N 0 0 413.477 5.587 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Nc3ccc(Br)cc3)n2)c1 ZINC000001825924 569056301 /nfs/dbraw/zinc/05/63/01/569056301.db2.gz MOCGPCFPSPMRBT-UHFFFAOYSA-N 0 0 421.254 5.711 50 5 HKBARN CC(C)CCn1c2ccccc2c2nc3cc(OC(C)C)c(OC(C)C)cc3nc21 ZINC000001828455 569056284 /nfs/dbraw/zinc/05/62/84/569056284.db2.gz URVOTUGGZVDVMB-UHFFFAOYSA-N 0 0 405.542 6.358 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000001829867 569056338 /nfs/dbraw/zinc/05/63/38/569056338.db2.gz DMQMUNUHGMFSAA-UHFFFAOYSA-N 0 0 411.248 6.255 50 5 HKBARN COc1cc([N+](=O)[O-])cc2c1O[C@]1(C=C2)N(c2ccccc2)c2ccccc2C1(C)C ZINC000001830093 569056211 /nfs/dbraw/zinc/05/62/11/569056211.db2.gz MVLXWVAJODRXME-VWLOTQADSA-N 0 0 414.461 5.835 50 5 HKBARN COc1cc([N+](=O)[O-])cc2c1O[C@@]1(C=C2)N(c2ccccc2)c2ccccc2C1(C)C ZINC000001830094 569056230 /nfs/dbraw/zinc/05/62/30/569056230.db2.gz MVLXWVAJODRXME-RUZDIDTESA-N 0 0 414.461 5.835 50 5 HKBARN CC1(C)C[C@](C)(c2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000001830846 534936340 /nfs/dbraw/zinc/93/63/40/534936340.db2.gz XIWKMFXEMLHGJB-RUZDIDTESA-N 0 0 400.478 5.730 50 5 HKBARN CC1(C)C[C@@](C)(c2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000001830847 132248084 /nfs/dbraw/zinc/24/80/84/132248084.db2.gz XIWKMFXEMLHGJB-VWLOTQADSA-N 0 0 400.478 5.730 50 5 HKBARN COc1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1OC ZINC000001830928 557291031 /nfs/dbraw/zinc/29/10/31/557291031.db2.gz UMCFLGGUDQGCAB-UHFFFAOYSA-N 0 0 417.464 6.284 50 5 HKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000001831070 569056343 /nfs/dbraw/zinc/05/63/43/569056343.db2.gz RUJLQWDQLGKJTD-UHFFFAOYSA-N 0 0 405.251 6.240 50 5 HKBARN CCCSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 ZINC000001836493 569056380 /nfs/dbraw/zinc/05/63/80/569056380.db2.gz NCSYLZQGWQUMIK-UHFFFAOYSA-N 0 0 411.600 5.467 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000001836821 569056361 /nfs/dbraw/zinc/05/63/61/569056361.db2.gz RJSVDDFUUVBEGU-UHFFFAOYSA-N 0 0 409.945 5.684 50 5 HKBARN Cc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1C ZINC000001837822 569056354 /nfs/dbraw/zinc/05/63/54/569056354.db2.gz DCYPTBYLUIWJSY-UHFFFAOYSA-N 0 0 421.474 5.403 50 5 HKBARN Cc1ccc(C(=O)[C@H](OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1C ZINC000001837967 569056360 /nfs/dbraw/zinc/05/63/60/569056360.db2.gz NXHGFTUWBWXONH-JOCHJYFZSA-N 0 0 423.852 5.646 50 5 HKBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1C ZINC000001837968 569056358 /nfs/dbraw/zinc/05/63/58/569056358.db2.gz NXHGFTUWBWXONH-QFIPXVFZSA-N 0 0 423.852 5.646 50 5 HKBARN COc1ccc(CSc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000001838015 569056348 /nfs/dbraw/zinc/05/63/48/569056348.db2.gz WSKUVLYUPKDKRJ-UHFFFAOYSA-N 0 0 405.526 5.040 50 5 HKBARN Cc1ccc(NC(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])cc1C ZINC000001838375 569056339 /nfs/dbraw/zinc/05/63/39/569056339.db2.gz SXAOANNHLVXIKR-UHFFFAOYSA-N 0 0 412.898 6.269 50 5 HKBARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] ZINC000001839211 569056323 /nfs/dbraw/zinc/05/63/23/569056323.db2.gz RQGPUUPXQTZHIY-UHFFFAOYSA-N 0 0 403.847 5.023 50 5 HKBARN O=C(c1ccccc1)c1ccc(Oc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000001840426 569056481 /nfs/dbraw/zinc/05/64/81/569056481.db2.gz OEELFWBNZIGOPU-UHFFFAOYSA-N 0 0 401.462 6.666 50 5 HKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(Cl)ccc3O)n2)cc1 ZINC000001844589 569056493 /nfs/dbraw/zinc/05/64/93/569056493.db2.gz MPHHSMZTEVWKCD-UHFFFAOYSA-N 0 0 402.837 6.350 50 5 HKBARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1C ZINC000001846030 569056448 /nfs/dbraw/zinc/05/64/48/569056448.db2.gz AUDPNDZARFXBOS-JOCHJYFZSA-N 0 0 423.852 5.646 50 5 HKBARN Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1C ZINC000001846034 569056441 /nfs/dbraw/zinc/05/64/41/569056441.db2.gz AUDPNDZARFXBOS-QFIPXVFZSA-N 0 0 423.852 5.646 50 5 HKBARN CC[C@H](OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000001846701 569056460 /nfs/dbraw/zinc/05/64/60/569056460.db2.gz DVQUNEHGHGAQQR-IBGZPJMESA-N 0 0 421.474 5.564 50 5 HKBARN CC[C@@H](OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000001846703 569056447 /nfs/dbraw/zinc/05/64/47/569056447.db2.gz DVQUNEHGHGAQQR-LJQANCHMSA-N 0 0 421.474 5.564 50 5 HKBARN O=C(Oc1cccc2ccccc21)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000001846727 569056526 /nfs/dbraw/zinc/05/65/26/569056526.db2.gz OARZSPBWOMOSFG-UHFFFAOYSA-N 0 0 401.443 6.118 50 5 HKBARN CC[C@H](OC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000001850609 569056554 /nfs/dbraw/zinc/05/65/54/569056554.db2.gz MFUXILMOMGTTAA-FQEVSTJZSA-N 0 0 421.474 5.564 50 5 HKBARN CC[C@@H](OC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC000001850610 569056584 /nfs/dbraw/zinc/05/65/84/569056584.db2.gz MFUXILMOMGTTAA-HXUWFJFHSA-N 0 0 421.474 5.564 50 5 HKBARN Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 ZINC000001856667 132248315 /nfs/dbraw/zinc/24/83/15/132248315.db2.gz HGEKIYSVWKWYIV-MBSDFSHPSA-N 0 0 415.493 5.804 50 5 HKBARN Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 ZINC000001856668 132248248 /nfs/dbraw/zinc/24/82/48/132248248.db2.gz HGEKIYSVWKWYIV-FDDCHVKYSA-N 0 0 415.493 5.804 50 5 HKBARN Cc1cc(OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc(C)c1Cl ZINC000001860211 569056662 /nfs/dbraw/zinc/05/66/62/569056662.db2.gz UGTRGPYZGBYHKW-UHFFFAOYSA-N 0 0 413.882 6.235 50 5 HKBARN CCc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001862660 569056702 /nfs/dbraw/zinc/05/67/02/569056702.db2.gz MMMYDHUGCAGDTR-UHFFFAOYSA-N 0 0 421.474 5.348 50 5 HKBARN CCc1ccccc1NC(=O)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000001863594 569056710 /nfs/dbraw/zinc/05/67/10/569056710.db2.gz WPSFPQNXTKGZPX-UHFFFAOYSA-N 0 0 412.898 6.214 50 5 HKBARN O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000001865180 569056685 /nfs/dbraw/zinc/05/66/85/569056685.db2.gz HSCZRWKPCULKFP-UHFFFAOYSA-N 0 0 404.260 5.624 50 5 HKBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001865196 569056772 /nfs/dbraw/zinc/05/67/72/569056772.db2.gz JKZBHQWFDKTYTR-UHFFFAOYSA-N 0 0 418.836 5.820 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000001872440 569056835 /nfs/dbraw/zinc/05/68/35/569056835.db2.gz QWNKGADCXAVOCN-UHFFFAOYSA-N 0 0 422.897 5.788 50 5 HKBARN CCOc1ccc(-n2c(-c3ccc(C)cc3)cn3c4ccc5ccccc5c4nc32)cc1 ZINC000001876282 569056883 /nfs/dbraw/zinc/05/68/83/569056883.db2.gz AYCMDHZZIVXDQW-UHFFFAOYSA-N 0 0 417.512 6.806 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 ZINC000001876312 569056864 /nfs/dbraw/zinc/05/68/64/569056864.db2.gz HTMAMUSJJRASKV-UHFFFAOYSA-N 0 0 422.897 5.788 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 ZINC000001881962 569056918 /nfs/dbraw/zinc/05/69/18/569056918.db2.gz WCCBNOVTNGIZOV-WLRTZDKTSA-N 0 0 415.474 5.832 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001882187 569056910 /nfs/dbraw/zinc/05/69/10/569056910.db2.gz RVAHKZJSZJEFAJ-FMIVXFBMSA-N 0 0 406.825 5.131 50 5 HKBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001882191 569056917 /nfs/dbraw/zinc/05/69/17/569056917.db2.gz PMOCPRVQOZBBHW-MDWZMJQESA-N 0 0 406.825 5.131 50 5 HKBARN O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000001884589 569056853 /nfs/dbraw/zinc/05/68/53/569056853.db2.gz COAQUDRWKNDJPI-UHFFFAOYSA-N 0 0 408.024 6.004 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Oc3ccc(-c4ccccc4)cc3)n2)c1 ZINC000001888394 569056983 /nfs/dbraw/zinc/05/69/83/569056983.db2.gz PJAMOOKFDBBXPW-UHFFFAOYSA-N 0 0 419.440 6.664 50 5 HKBARN CCOc1ccc(-n2c(-c3ccccc3)cn3c4ccc5ccccc5c4nc32)cc1 ZINC000001890378 568839682 /nfs/dbraw/zinc/83/96/82/568839682.db2.gz CZXPONPSNWTNSD-UHFFFAOYSA-N 0 0 403.485 6.497 50 5 HKBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccc(C)c2)cc1 ZINC000001893004 569057056 /nfs/dbraw/zinc/05/70/56/569057056.db2.gz NLEBTCUBLHSKLN-UHFFFAOYSA-N 0 0 416.506 5.752 50 5 HKBARN Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000001897297 569057055 /nfs/dbraw/zinc/05/70/55/569057055.db2.gz XJFPBTSIMWJRFL-UHFFFAOYSA-N 0 0 402.479 5.443 50 5 HKBARN Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000001901887 132248466 /nfs/dbraw/zinc/24/84/66/132248466.db2.gz UUXJYXWJZWMDFN-SANMLTNESA-N 0 0 414.505 6.038 50 5 HKBARN Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000001901888 132248490 /nfs/dbraw/zinc/24/84/90/132248490.db2.gz UUXJYXWJZWMDFN-AREMUKBSSA-N 0 0 414.505 6.038 50 5 HKBARN Cc1cc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])ccc1Cl ZINC000001902263 569057440 /nfs/dbraw/zinc/05/74/40/569057440.db2.gz XZKYBSXSXIIFFM-UHFFFAOYSA-N 0 0 407.813 6.066 50 5 HKBARN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1 ZINC000001902368 569057296 /nfs/dbraw/zinc/05/72/96/569057296.db2.gz FXNYBTSDYFGURJ-UHFFFAOYSA-N 0 0 423.881 5.240 50 5 HKBARN Cc1ccc(C)c(OCCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000001903940 569057365 /nfs/dbraw/zinc/05/73/65/569057365.db2.gz UPYJSIMMYUBRFD-UHFFFAOYSA-N 0 0 411.483 5.133 50 5 HKBARN Cc1cc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)ccc1[N+](=O)[O-] ZINC000001904746 569057338 /nfs/dbraw/zinc/05/73/38/569057338.db2.gz HYILKWBBJWBUAJ-UHFFFAOYSA-N 0 0 415.401 5.204 50 5 HKBARN O=C1c2ccccc2-c2c1c(-c1ccc3c(c1)OCO3)nc1ccc3ccccc3c21 ZINC000001905830 557295796 /nfs/dbraw/zinc/29/57/96/557295796.db2.gz OJQVIZLBERUTKR-UHFFFAOYSA-N 0 0 401.421 5.995 50 5 HKBARN Fc1ccc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 ZINC000001906995 557295810 /nfs/dbraw/zinc/29/58/10/557295810.db2.gz XBHUGMKSKXXXSG-UHFFFAOYSA-N 0 0 406.258 5.688 50 5 HKBARN Brc1ccc2c(c1)c1nc3ccccc3nc1n2CCc1ccccc1 ZINC000001907097 557295726 /nfs/dbraw/zinc/29/57/26/557295726.db2.gz VHCFIYSVDBDLCB-UHFFFAOYSA-N 0 0 402.295 5.743 50 5 HKBARN CCc1ccc(OCCCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000001911516 569059155 /nfs/dbraw/zinc/05/91/55/569059155.db2.gz AIFARMLEJHVQFK-UHFFFAOYSA-N 0 0 411.483 5.078 50 5 HKBARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000001931263 569059780 /nfs/dbraw/zinc/05/97/80/569059780.db2.gz QBUJXJCUQZHZHO-UHFFFAOYSA-N 0 0 410.451 5.061 50 5 HKBARN O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000001940987 569059868 /nfs/dbraw/zinc/05/98/68/569059868.db2.gz NNSXPHBWDVYHDO-UHFFFAOYSA-N 0 0 407.809 5.601 50 5 HKBARN CCCCCCOc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)cc1 ZINC000002023402 132248488 /nfs/dbraw/zinc/24/84/88/132248488.db2.gz WKXGZLVDTIOSHT-UHFFFAOYSA-N 0 0 418.449 5.508 50 5 HKBARN CCOc1ccc(SNc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000002023713 560584060 /nfs/dbraw/zinc/58/40/60/560584060.db2.gz JPNULEOXUKHEHR-UHFFFAOYSA-N 0 0 418.559 6.413 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)sc2c1 ZINC000002025601 569066101 /nfs/dbraw/zinc/06/61/01/569066101.db2.gz RFPVPARZQJMJRE-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN COc1cc2c(c([N+](=O)[O-])c1)O[C@]1(C=C2)N(c2ccccc2)c2ccccc2C1(C)C ZINC000002025716 569066132 /nfs/dbraw/zinc/06/61/32/569066132.db2.gz BRICFEMJCYYVKO-VWLOTQADSA-N 0 0 414.461 5.835 50 5 HKBARN COc1cc2c(c([N+](=O)[O-])c1)O[C@@]1(C=C2)N(c2ccccc2)c2ccccc2C1(C)C ZINC000002025721 569066115 /nfs/dbraw/zinc/06/61/15/569066115.db2.gz BRICFEMJCYYVKO-RUZDIDTESA-N 0 0 414.461 5.835 50 5 HKBARN CCCOc1ccc(-c2c3c(=O)c4ccccc4c3nc3c4ccccc4c(=O)c32)cc1 ZINC000002026779 558776272 /nfs/dbraw/zinc/77/62/72/558776272.db2.gz RWMORHMFYWAOGZ-UHFFFAOYSA-N 0 0 417.464 5.746 50 5 HKBARN CC(C)(C)Oc1ncc(-c2cc(Br)cc([N+](=O)[O-])c2)c(OC(C)(C)C)n1 ZINC000002027065 569062475 /nfs/dbraw/zinc/06/24/75/569062475.db2.gz NEBKBXJJQUXRAT-UHFFFAOYSA-N 0 0 424.295 5.169 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1C1N(c2cccc(C)c2)CCN1c1cccc(C)c1 ZINC000002027279 569068653 /nfs/dbraw/zinc/06/86/53/569068653.db2.gz YYHVQHLEGIJOOK-UHFFFAOYSA-N 0 0 403.482 5.246 50 5 HKBARN COc1ccc(C2N(c3cccc(C)c3)CCN2c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000002027284 569068721 /nfs/dbraw/zinc/06/87/21/569068721.db2.gz PSPMCJNLGXZQPN-UHFFFAOYSA-N 0 0 403.482 5.246 50 5 HKBARN CC(C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 ZINC000002027644 569068671 /nfs/dbraw/zinc/06/86/71/569068671.db2.gz APYBGKAFGYZLBR-UHFFFAOYSA-N 0 0 412.427 5.002 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)sc2c1 ZINC000002027762 569062508 /nfs/dbraw/zinc/06/25/08/569062508.db2.gz PBSQKWVNUFEYMS-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002029715 569069059 /nfs/dbraw/zinc/06/90/59/569069059.db2.gz GJPCHBXIONSFFI-UHFFFAOYSA-N 0 0 420.406 5.032 50 5 HKBARN Brc1ccc(-c2cc(-c3ccncc3)c3c(ccc4ccccc43)n2)cc1 ZINC000002029994 557299823 /nfs/dbraw/zinc/29/98/23/557299823.db2.gz HYFSCBBJHIITKV-UHFFFAOYSA-N 0 0 411.302 6.880 50 5 HKBARN Oc1ccc(Br)cc1-c1nc2ccc3ccccc3c2c2c1CCCC2 ZINC000002030042 560559003 /nfs/dbraw/zinc/55/90/03/560559003.db2.gz VYCBOSNMZXCYER-UHFFFAOYSA-N 0 0 404.307 6.402 50 5 HKBARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002030161 569069270 /nfs/dbraw/zinc/06/92/70/569069270.db2.gz WRFCMXPQEBFYID-UHFFFAOYSA-N 0 0 420.406 5.032 50 5 HKBARN O=[N+]([O-])c1ccc(-c2csc(Cc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)n2)cc1 ZINC000002030850 569070018 /nfs/dbraw/zinc/07/00/18/569070018.db2.gz LCJZJOHISSHMNG-UHFFFAOYSA-N 0 0 424.463 5.341 50 5 HKBARN CCOC(=O)c1sc2ccc([N+](=O)[O-])cc2c1CSCCc1ccccc1 ZINC000002049237 569071025 /nfs/dbraw/zinc/07/10/25/569071025.db2.gz FOHWAIIDCZNMIF-UHFFFAOYSA-N 0 0 401.509 5.462 50 5 HKBARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2COC(=O)/C=C/c2ccccc2)cc1 ZINC000002049307 569071044 /nfs/dbraw/zinc/07/10/44/569071044.db2.gz VISPYMFJGXTYJQ-NTEUORMPSA-N 0 0 405.475 5.811 50 5 HKBARN Cc1cccc(Nc2nc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)cs2)c1 ZINC000002051839 569072172 /nfs/dbraw/zinc/07/21/72/569072172.db2.gz NREHHZKWQCKRHA-UHFFFAOYSA-N 0 0 417.490 6.349 50 5 HKBARN Cc1cccc(Nc2nc(-c3ccccc3)c(Oc3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000002051841 569072175 /nfs/dbraw/zinc/07/21/75/569072175.db2.gz OYRMORWKZAWKID-UHFFFAOYSA-N 0 0 403.463 6.563 50 5 HKBARN COc1ccc(Nc2nc(-c3ccccc3)c(Oc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002051842 569072192 /nfs/dbraw/zinc/07/21/92/569072192.db2.gz IKSSLLFXAANSMC-UHFFFAOYSA-N 0 0 419.462 6.263 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2sc(Nc3cccc(Cl)c3)nc2-c2ccccc2)cc1 ZINC000002051843 569072174 /nfs/dbraw/zinc/07/21/74/569072174.db2.gz HVRRTKICUDEUFO-UHFFFAOYSA-N 0 0 423.881 6.908 50 5 HKBARN c1ccc(OCCOc2ccc(Nc3ccnc4cc5ccccc5cc43)cc2)cc1 ZINC000002053234 557301609 /nfs/dbraw/zinc/30/16/09/557301609.db2.gz NSCLEKFKAKFKGX-UHFFFAOYSA-N 0 0 406.485 6.589 50 5 HKBARN O=[N+]([O-])c1ccc(COc2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1 ZINC000002053291 569072189 /nfs/dbraw/zinc/07/21/89/569072189.db2.gz CANJIJHVKMKQTR-UHFFFAOYSA-N 0 0 403.463 6.041 50 5 HKBARN CC(C)(C)c1cc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(C(C)(C)C)c1 ZINC000002054527 569072162 /nfs/dbraw/zinc/07/21/62/569072162.db2.gz ITTXZLIMFRSRMT-RGVLZGJSSA-N 0 0 406.482 5.534 50 5 HKBARN CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000002055625 569072178 /nfs/dbraw/zinc/07/21/78/569072178.db2.gz GOWAFIRZLMNGAF-UHFFFAOYSA-N 0 0 415.449 5.953 50 5 HKBARN Cc1ccc(C(c2ccc(C)c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] ZINC000002056658 569072205 /nfs/dbraw/zinc/07/22/05/569072205.db2.gz QISWVRDZJIBCBI-UHFFFAOYSA-N 0 0 403.649 5.622 50 5 HKBARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000002056926 569072171 /nfs/dbraw/zinc/07/21/71/569072171.db2.gz VHKCUYKOVJETKQ-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)ccc1[N+](=O)[O-] ZINC000002056942 569072200 /nfs/dbraw/zinc/07/22/00/569072200.db2.gz YTXZBZAJLYSILR-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN COc1ccc(OC)c(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)c1 ZINC000002057223 557303235 /nfs/dbraw/zinc/30/32/35/557303235.db2.gz CDXHIBWZFVOOLB-UHFFFAOYSA-N 0 0 417.464 6.284 50 5 HKBARN O=c1[nH]c2c(sc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c2ccccc12 ZINC000002059250 569072450 /nfs/dbraw/zinc/07/24/50/569072450.db2.gz URJPQCNRRLTTSK-UHFFFAOYSA-N 0 0 404.494 6.625 50 5 HKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002059331 569072203 /nfs/dbraw/zinc/07/22/03/569072203.db2.gz JWHHJCNTCGJWFF-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1c2ccccc2cc2ccccc21 ZINC000002060386 557303671 /nfs/dbraw/zinc/30/36/71/557303671.db2.gz XRJYSSMWMTXCQL-UHFFFAOYSA-N 0 0 403.503 6.100 50 5 HKBARN O=c1oc2ccccc2c2c1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccc3ccccc3c1-2 ZINC000002060685 569072819 /nfs/dbraw/zinc/07/28/19/569072819.db2.gz UETQPVJMHAPWLI-RUZDIDTESA-N 0 0 420.424 6.036 50 5 HKBARN O=c1oc2ccccc2c2c1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccc3ccccc3c1-2 ZINC000002060686 569072822 /nfs/dbraw/zinc/07/28/22/569072822.db2.gz UETQPVJMHAPWLI-VWLOTQADSA-N 0 0 420.424 6.036 50 5 HKBARN O=c1oc2ccccc2c2c1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccc3ccccc3c1-2 ZINC000002060687 569072823 /nfs/dbraw/zinc/07/28/23/569072823.db2.gz GGMCROFRVGGYER-RUZDIDTESA-N 0 0 420.424 6.036 50 5 HKBARN O=c1oc2ccccc2c2c1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccc3ccccc3c1-2 ZINC000002060688 569072810 /nfs/dbraw/zinc/07/28/10/569072810.db2.gz GGMCROFRVGGYER-VWLOTQADSA-N 0 0 420.424 6.036 50 5 HKBARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)cc2o1 ZINC000002061000 569072853 /nfs/dbraw/zinc/07/28/53/569072853.db2.gz CCTZDIPDSGVQQF-UHFFFAOYSA-N 0 0 407.809 5.601 50 5 HKBARN c1ccc(Oc2cccc(-c3nc4ccc5ccccc5c4c4c3CCCC4)c2)cc1 ZINC000002062042 557304208 /nfs/dbraw/zinc/30/42/08/557304208.db2.gz WCZGGYYPFPUKQN-UHFFFAOYSA-N 0 0 401.509 7.726 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000002063371 569072921 /nfs/dbraw/zinc/07/29/21/569072921.db2.gz IFVWMRQOIIBOLP-MDWZMJQESA-N 0 0 401.447 5.523 50 5 HKBARN Cc1cc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)ccc1[N+](=O)[O-] ZINC000002067804 569072999 /nfs/dbraw/zinc/07/29/99/569072999.db2.gz FNIOSOLCVJKMPM-UHFFFAOYSA-N 0 0 423.428 6.117 50 5 HKBARN O=[N+]([O-])c1cccc(-c2ccc(C3N(c4ccccc4)CCN3c3ccccc3)o2)c1 ZINC000002067901 569072988 /nfs/dbraw/zinc/07/29/88/569072988.db2.gz HTRGYWNTRQQXHQ-UHFFFAOYSA-N 0 0 411.461 5.880 50 5 HKBARN CC(C)(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000002069981 569073088 /nfs/dbraw/zinc/07/30/88/569073088.db2.gz WMESISZMQCLKEP-UHFFFAOYSA-N 0 0 415.449 5.953 50 5 HKBARN O=[N+]([O-])c1cc(Oc2ccccc2)cc(Oc2ccc3oc4c(c3c2)CCCC4)c1 ZINC000002070183 569073102 /nfs/dbraw/zinc/07/31/02/569073102.db2.gz ZQSHFCSBOIMXMF-UHFFFAOYSA-N 0 0 401.418 6.804 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)sc2c1 ZINC000002074818 569272599 /nfs/dbraw/zinc/27/25/99/569272599.db2.gz NRFUJASQVFTSMR-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN O=C(c1cc2c(ccc3ccccc32)oc1=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000002074886 557308288 /nfs/dbraw/zinc/30/82/88/557308288.db2.gz MKABILRKPAKNGR-UHFFFAOYSA-N 0 0 418.404 5.437 50 5 HKBARN Cc1cc(C)cc(-c2c(I)ccc3ccc4ccccc4c32)c1 ZINC000002077494 557308243 /nfs/dbraw/zinc/30/82/43/557308243.db2.gz IPTWVTGUSSHMKQ-UHFFFAOYSA-N 0 0 408.282 6.881 50 5 HKBARN Cc1cc(C)cc(-c2cccc3c4ccccc4c4cccc(-c5ccccc5)c4c23)c1 ZINC000002077598 557308563 /nfs/dbraw/zinc/30/85/63/557308563.db2.gz UVZVAYIYCDYZHK-UHFFFAOYSA-N 0 0 408.544 9.097 50 5 HKBARN C(=C/c1cc2ccccc2c2ccccc12)\c1ccc2cccc(-c3ccccc3)c2c1 ZINC000002077646 557308582 /nfs/dbraw/zinc/30/85/82/557308582.db2.gz QMEGMMWGONDTJB-CZIZESTLSA-N 0 0 406.528 8.984 50 5 HKBARN Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1[N+](=O)[O-] ZINC000002081487 569277749 /nfs/dbraw/zinc/27/77/49/569277749.db2.gz KBOHPGPAOCTODX-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1[N+](=O)[O-] ZINC000002081979 569277756 /nfs/dbraw/zinc/27/77/56/569277756.db2.gz XCQGPFHCMYBNFR-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002083538 569277805 /nfs/dbraw/zinc/27/78/05/569277805.db2.gz XKIWWHCFCBFWFT-UHFFFAOYSA-N 0 0 421.815 5.855 50 5 HKBARN COC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCCCC2 ZINC000002083610 569277832 /nfs/dbraw/zinc/27/78/32/569277832.db2.gz QYLMSVNLJVWWLB-UHFFFAOYSA-N 0 0 422.890 5.008 50 5 HKBARN CCCCCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000002083880 569277976 /nfs/dbraw/zinc/27/79/76/569277976.db2.gz DCVMLAITSUBDMJ-LJQANCHMSA-N 0 0 423.498 5.232 50 5 HKBARN CCCCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000002083881 569277940 /nfs/dbraw/zinc/27/79/40/569277940.db2.gz DCVMLAITSUBDMJ-IBGZPJMESA-N 0 0 423.498 5.232 50 5 HKBARN Cc1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2oc(=O)c1Cc1ccccc1 ZINC000002085437 569277879 /nfs/dbraw/zinc/27/78/79/569277879.db2.gz RRJQCYZFHOYTLT-UHFFFAOYSA-N 0 0 401.418 5.179 50 5 HKBARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002086490 569277909 /nfs/dbraw/zinc/27/79/09/569277909.db2.gz MAKUIYFHJDXENH-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 ZINC000002087705 569277933 /nfs/dbraw/zinc/27/79/33/569277933.db2.gz XOYDSWCLNNUOCQ-VQTJNVASSA-N 0 0 411.255 5.588 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 ZINC000002087706 569277882 /nfs/dbraw/zinc/27/78/82/569277882.db2.gz XOYDSWCLNNUOCQ-WOJBJXKFSA-N 0 0 411.255 5.588 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 ZINC000002087708 569277918 /nfs/dbraw/zinc/27/79/18/569277918.db2.gz XOYDSWCLNNUOCQ-PMACEKPBSA-N 0 0 411.255 5.588 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 ZINC000002087710 569277958 /nfs/dbraw/zinc/27/79/58/569277958.db2.gz XOYDSWCLNNUOCQ-UXHICEINSA-N 0 0 411.255 5.588 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000002088021 569277878 /nfs/dbraw/zinc/27/78/78/569277878.db2.gz OIAVZDSXDFWQQF-UHFFFAOYSA-N 0 0 415.041 5.663 50 5 HKBARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002088869 569277960 /nfs/dbraw/zinc/27/79/60/569277960.db2.gz CGOCKINVGNYYBX-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN O=C(NCc1ccc(Cl)cc1Cl)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000002089907 569277899 /nfs/dbraw/zinc/27/78/99/569277899.db2.gz IPAJXUBPZHMVLA-UHFFFAOYSA-N 0 0 415.685 5.700 50 5 HKBARN COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)scc1-c1cccc(C)c1 ZINC000002090149 569277880 /nfs/dbraw/zinc/27/78/80/569277880.db2.gz RYZFIIWGTAMQIQ-DHZHZOJOSA-N 0 0 422.462 5.070 50 5 HKBARN COc1ccc2c3cc4c(-c5ccc6ccccc6c5)coc4c(C)c3oc(=O)c2c1 ZINC000002091458 569280360 /nfs/dbraw/zinc/28/03/60/569280360.db2.gz ZKZYDUNHNVLVIK-UHFFFAOYSA-N 0 0 406.437 6.830 50 5 biogenic HKBARN Cc1c(C(=O)COc2ccc3c4ccccc4c(=O)oc3c2C)c2ccccc2n1C ZINC000002094302 569280788 /nfs/dbraw/zinc/28/07/88/569280788.db2.gz RXURFIDIPDUOHN-UHFFFAOYSA-N 0 0 411.457 5.316 50 5 biogenic HKBARN Cc1cccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(=O)OC(C)C)c1 ZINC000002101476 569281346 /nfs/dbraw/zinc/28/13/46/569281346.db2.gz AYLVYEPEDKKGNW-UHFFFAOYSA-N 0 0 424.478 5.449 50 5 HKBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc(C)c1-c1ccc(C)cc1 ZINC000002101487 569281386 /nfs/dbraw/zinc/28/13/86/569281386.db2.gz KJELPULPQJBAHL-UHFFFAOYSA-N 0 0 424.478 5.287 50 5 HKBARN Cc1cc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000002102946 569281250 /nfs/dbraw/zinc/28/12/50/569281250.db2.gz RCEKRAUMRDMNTD-UHFFFAOYSA-N 0 0 424.478 5.449 50 5 HKBARN O=c1c2c3c(sc2nc2c4ccccc4c(-c4ccc(F)cc4)nn12)CCCCC3 ZINC000002106446 557314426 /nfs/dbraw/zinc/31/44/26/557314426.db2.gz CFCLBAYWLHVOSQ-UHFFFAOYSA-N 0 0 415.493 5.532 50 5 HKBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccc(C)cc1 ZINC000002110708 569283904 /nfs/dbraw/zinc/28/39/04/569283904.db2.gz OHIXFSUTCUYXCJ-UHFFFAOYSA-N 0 0 424.478 5.369 50 5 HKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1cccc(Br)c1)CO2 ZINC000002112438 569284252 /nfs/dbraw/zinc/28/42/52/569284252.db2.gz YMPMQRYKDKHUOO-UHFFFAOYSA-N 0 0 422.278 5.374 50 5 biogenic HKBARN COc1cc2c(C)cc3c4cc(OC)c(OC)cc4c(C(C)=O)c(C)c3c2cc1OC ZINC000002118378 569284856 /nfs/dbraw/zinc/28/48/56/569284856.db2.gz DLIGRHKIFRZHJS-UHFFFAOYSA-N 0 0 418.489 6.000 50 5 biogenic HKBARN O=c1oc2c(ccc3c2CN(c2cccc(Br)c2)CO3)c2ccccc12 ZINC000002119556 569284893 /nfs/dbraw/zinc/28/48/93/569284893.db2.gz GUCIAZUOQBQBFA-UHFFFAOYSA-N 0 0 408.251 5.065 50 5 biogenic HKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc(C(F)(F)F)cc1)CO2 ZINC000002119603 569284904 /nfs/dbraw/zinc/28/49/04/569284904.db2.gz ZVWZLLOHIWKQAL-UHFFFAOYSA-N 0 0 411.379 5.630 50 5 biogenic HKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1cccc(Cl)c1Cl)CO2 ZINC000002120176 569284918 /nfs/dbraw/zinc/28/49/18/569284918.db2.gz FPDGMIPQBRSTRL-UHFFFAOYSA-N 0 0 412.272 5.918 50 5 biogenic HKBARN Cc1cc(Br)ccc1N1COc2ccc3c4ccccc4c(=O)oc3c2C1 ZINC000002121942 569285640 /nfs/dbraw/zinc/28/56/40/569285640.db2.gz FWFJVMNVAOZTJA-UHFFFAOYSA-N 0 0 422.278 5.374 50 5 biogenic HKBARN Cc1cc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)ccc1Br ZINC000002125217 569286065 /nfs/dbraw/zinc/28/60/65/569286065.db2.gz RQVDMVNZUOCUMW-UHFFFAOYSA-N 0 0 422.278 5.374 50 5 biogenic HKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc(Cl)c(Cl)c1)CO2 ZINC000002125480 569286258 /nfs/dbraw/zinc/28/62/58/569286258.db2.gz ZSBWCTRLPUBECP-UHFFFAOYSA-N 0 0 412.272 5.918 50 5 biogenic HKBARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br ZINC000002135322 569287076 /nfs/dbraw/zinc/28/70/76/569287076.db2.gz QZNSOIBYFYNDKO-UHFFFAOYSA-N 0 0 411.683 5.561 50 5 HKBARN O=[N+]([O-])c1cc(C2SCCS2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000002142020 569288918 /nfs/dbraw/zinc/28/89/18/569288918.db2.gz ZAXMJGZFYMWWSK-UHFFFAOYSA-N 0 0 402.324 5.959 50 5 HKBARN Brc1cc2ccc3ccc4ccccc4c3c2c2c1ccc1ccccc12 ZINC000002143282 559274912 /nfs/dbraw/zinc/27/49/12/559274912.db2.gz AYDXUHGVVLGQLO-UHFFFAOYSA-N 0 0 407.310 8.215 50 5 HKBARN Cc1csc2ncnc(Sc3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)c12 ZINC000002144114 569288913 /nfs/dbraw/zinc/28/89/13/569288913.db2.gz CIOMHMBWMYFIOP-UHFFFAOYSA-N 0 0 422.491 5.311 50 5 HKBARN O=C(Sc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000002147751 569288954 /nfs/dbraw/zinc/28/89/54/569288954.db2.gz ZFHWWYAUVFAAOZ-UHFFFAOYSA-N 0 0 420.273 6.626 50 5 HKBARN O=C(Sc1ccccc1)c1ccc(Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000002148090 569288924 /nfs/dbraw/zinc/28/89/24/569288924.db2.gz CEWXVIXQSMKJJK-UHFFFAOYSA-N 0 0 420.273 6.626 50 5 HKBARN COc1cc2c(cc1OC)c1cc(OC)c(OC)cc1c1cc(OC)c(OC)cc21 ZINC000002149617 557319365 /nfs/dbraw/zinc/31/93/65/557319365.db2.gz TXROZCSFVVIBFI-UHFFFAOYSA-N 0 0 408.450 5.198 50 5 HKBARN COc1ccc2c3cc4c(cc3oc(=O)c2c1)occ4-c1ccc(-c2ccccc2)cc1 ZINC000002150144 569289900 /nfs/dbraw/zinc/28/99/00/569289900.db2.gz DBQSKLMDAOJSAY-UHFFFAOYSA-N 0 0 418.448 7.035 50 5 biogenic HKBARN Cc1ccc(-c2c3c(nc4c5ccccc5nnc42)sc2c3nc(C)oc2=O)cc1 ZINC000002150721 557319658 /nfs/dbraw/zinc/31/96/58/557319658.db2.gz IMJBJYKRURPSCF-UHFFFAOYSA-N 0 0 410.458 5.178 50 5 HKBARN O=C(CSc1ssc(=S)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000002152663 569290043 /nfs/dbraw/zinc/29/00/43/569290043.db2.gz UUDPWMIXXYUYQG-UHFFFAOYSA-N 0 0 405.547 6.089 50 5 HKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1SCc1csc2ccc(Cl)cc12 ZINC000002153112 569289946 /nfs/dbraw/zinc/28/99/46/569289946.db2.gz HNKCPYDUBXPIMU-UHFFFAOYSA-N 0 0 403.834 6.774 50 5 HKBARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002156170 569289964 /nfs/dbraw/zinc/28/99/64/569289964.db2.gz SLSFLQVDUBWYIN-UHFFFAOYSA-N 0 0 403.591 5.069 50 5 HKBARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002156208 569289973 /nfs/dbraw/zinc/28/99/73/569289973.db2.gz IBRYROCHIGSJNS-UHFFFAOYSA-N 0 0 420.046 5.583 50 5 HKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1cccc(C(F)(F)F)c1)CO2 ZINC000002158334 569290525 /nfs/dbraw/zinc/29/05/25/569290525.db2.gz SJRJPGCSAJRCBH-UHFFFAOYSA-N 0 0 411.379 5.630 50 5 biogenic HKBARN O=c1oc2c(ccc3c2CN(c2ccc(Oc4ccccc4)cc2)CO3)c2ccccc21 ZINC000002159952 569290570 /nfs/dbraw/zinc/29/05/70/569290570.db2.gz XCSDUWUCBQOZCD-UHFFFAOYSA-N 0 0 421.452 6.095 50 5 biogenic HKBARN Cc1ccc(C(=O)N(c2nc3ccccc3s2)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000002160835 569291971 /nfs/dbraw/zinc/29/19/71/569291971.db2.gz AQKXTJTYWYDTMZ-UHFFFAOYSA-N 0 0 423.881 6.145 50 5 HKBARN CC(C)(C)c1cc([N+](=O)[O-])c(OC(=O)c2ccc(Cl)cc2Cl)c(C(C)(C)C)c1 ZINC000002161362 569291944 /nfs/dbraw/zinc/29/19/44/569291944.db2.gz UWUBLOMBRUQDRU-UHFFFAOYSA-N 0 0 424.324 6.716 50 5 HKBARN CC(C)(C)c1cc([N+](=O)[O-])c(OC(=O)c2cccc(C(F)(F)F)c2)c(C(C)(C)C)c1 ZINC000002161364 569291985 /nfs/dbraw/zinc/29/19/85/569291985.db2.gz KRFYRMCCYWQDSG-UHFFFAOYSA-N 0 0 423.431 6.428 50 5 HKBARN O=C(Oc1c(Br)cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000002162684 569291870 /nfs/dbraw/zinc/29/18/70/569291870.db2.gz XGXCPOGADWYROQ-UHFFFAOYSA-N 0 0 424.556 5.249 50 5 HKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(-c2ccccc2)cc1 ZINC000002162690 569291975 /nfs/dbraw/zinc/29/19/75/569291975.db2.gz JYRLEIJDUQTWSB-UHFFFAOYSA-N 0 0 404.300 5.981 50 5 HKBARN CC(C)(C)c1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000002162969 569291892 /nfs/dbraw/zinc/29/18/92/569291892.db2.gz MLIWCWXZBTXYRE-UHFFFAOYSA-N 0 0 410.386 5.175 50 5 HKBARN CC(C)(C)c1cc(Oc2ncccc2[N+](=O)[O-])ccc1Oc1ncccc1[N+](=O)[O-] ZINC000002162972 569291940 /nfs/dbraw/zinc/29/19/40/569291940.db2.gz PERNTHQSDFRYGG-UHFFFAOYSA-N 0 0 410.386 5.175 50 5 HKBARN CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000002164806 569291977 /nfs/dbraw/zinc/29/19/77/569291977.db2.gz LUVAJMHGUAMTRX-UHFFFAOYSA-N 0 0 416.474 5.675 50 5 HKBARN COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cc(Cl)ccc32)cc1 ZINC000002166933 557321355 /nfs/dbraw/zinc/32/13/55/557321355.db2.gz ONASMBRWDSADQY-UHFFFAOYSA-N 0 0 424.927 7.998 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)nc1Sc1ccc(Cl)cc1 ZINC000002171460 569293348 /nfs/dbraw/zinc/29/33/48/569293348.db2.gz RDRUVYONYAHBNP-UHFFFAOYSA-N 0 0 409.319 6.599 50 5 HKBARN O=[N+]([O-])c1c(Sc2cccc(Cl)c2)ncnc1Sc1cccc(Cl)c1 ZINC000002171502 569293358 /nfs/dbraw/zinc/29/33/58/569293358.db2.gz NHPVPONYGDEEAF-UHFFFAOYSA-N 0 0 410.307 5.994 50 5 HKBARN O=[N+]([O-])c1ccccc1Oc1nc2ccccc2nc1Oc1ccccc1[N+](=O)[O-] ZINC000002171578 569293318 /nfs/dbraw/zinc/29/33/18/569293318.db2.gz HUOROSFGGGRAMS-UHFFFAOYSA-N 0 0 404.338 5.031 50 5 HKBARN CCOc1ccc2ccccc2c1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O ZINC000002176527 569293360 /nfs/dbraw/zinc/29/33/60/569293360.db2.gz YIKNJUHPPIKYGA-PDGQHHTCSA-N 0 0 422.824 5.145 50 5 HKBARN COc1c2ccccc2c2ccccc2c1-c1c2ccccc2c2ccccc2c1OC ZINC000002182859 557323179 /nfs/dbraw/zinc/32/31/79/557323179.db2.gz WASSYTYWNLUGTE-UHFFFAOYSA-N 0 0 414.504 7.984 50 5 HKBARN Clc1ccccc1Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000002184202 557323997 /nfs/dbraw/zinc/32/39/97/557323997.db2.gz RSJZSBHKVGBYTO-UHFFFAOYSA-N 0 0 422.713 6.202 50 5 HKBARN CCOc1cc2nc3c4ccccc4n(Cc4ccc(C)cc4)c3nc2cc1OCC ZINC000002184203 557324013 /nfs/dbraw/zinc/32/40/13/557324013.db2.gz LISVMCQKRVQFQY-UHFFFAOYSA-N 0 0 411.505 5.892 50 5 HKBARN c1ccc(SCc2c3ccccc3c(CSc3ccccn3)c3ccccc32)nc1 ZINC000002185061 557323972 /nfs/dbraw/zinc/32/39/72/557323972.db2.gz GEEZGPDQMRSMEM-UHFFFAOYSA-N 0 0 424.594 7.368 50 5 HKBARN Fc1ccccc1COc1ccc(-c2c3c(nc4ccc5ccccc5c42)CCC3)cc1 ZINC000002191672 569293803 /nfs/dbraw/zinc/29/38/03/569293803.db2.gz HYZJXUMIIBNBEH-UHFFFAOYSA-N 0 0 419.499 7.262 50 5 HKBARN Cc1ccc(C)c(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)c1 ZINC000002194577 569294308 /nfs/dbraw/zinc/29/43/08/569294308.db2.gz AZQARKMACIWCKO-UHFFFAOYSA-N 0 0 412.445 5.784 50 5 HKBARN CCCCCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000002196086 569294628 /nfs/dbraw/zinc/29/46/28/569294628.db2.gz CHUQRKXZGKZXAP-UHFFFAOYSA-N 0 0 420.557 6.102 50 5 HKBARN COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccc([N+](=O)[O-])cc4)ccc23)cc1 ZINC000002196616 569294658 /nfs/dbraw/zinc/29/46/58/569294658.db2.gz HYBFOVUUPCBNAH-UHFFFAOYSA-N 0 0 417.417 5.264 50 5 HKBARN O=c1oc2c(cccc2[N+](=O)[O-])cc1-c1nc(-c2ccc3ccccc3c2)cs1 ZINC000002197543 569294765 /nfs/dbraw/zinc/29/47/65/569294765.db2.gz ILPGMRBIPQCZNY-UHFFFAOYSA-N 0 0 400.415 5.645 50 5 HKBARN Cc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OCCC(C)C ZINC000002197678 569294768 /nfs/dbraw/zinc/29/47/68/569294768.db2.gz JFGFOYYSOIBPLG-UHFFFAOYSA-N 0 0 409.533 6.519 50 5 HKBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(C3CCCCC3)nc21 ZINC000002200010 569294885 /nfs/dbraw/zinc/29/48/85/569294885.db2.gz PXOMDVRMYBZYGP-UHFFFAOYSA-N 0 0 405.542 5.191 50 5 HKBARN O=c1oc2c(cccc2[N+](=O)[O-])cc1-c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000002201873 569295501 /nfs/dbraw/zinc/29/55/01/569295501.db2.gz NRYBJBFTLPTCOB-UHFFFAOYSA-N 0 0 419.245 5.799 50 5 HKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000002201918 569295561 /nfs/dbraw/zinc/29/55/61/569295561.db2.gz YVOFOBPVGXZMQN-UHFFFAOYSA-N 0 0 420.812 5.218 50 5 HKBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(Cl)cc1 ZINC000002202282 569295632 /nfs/dbraw/zinc/29/56/32/569295632.db2.gz KWFKWNVNAXTVHM-UHFFFAOYSA-N 0 0 403.869 5.479 50 5 HKBARN O=c1oc2c(cccc2[N+](=O)[O-])cc1-c1nc(-c2cccc3ccccc32)cs1 ZINC000002202377 569295635 /nfs/dbraw/zinc/29/56/35/569295635.db2.gz MWPVLGBZFXDUFD-UHFFFAOYSA-N 0 0 400.415 5.645 50 5 HKBARN CCCCCOc1ccccc1Cn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000002203583 569296016 /nfs/dbraw/zinc/29/60/16/569296016.db2.gz JMLACSMLNDHDAA-UHFFFAOYSA-N 0 0 409.533 6.663 50 5 HKBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccccc3Cl)nc21 ZINC000002203813 569296075 /nfs/dbraw/zinc/29/60/75/569296075.db2.gz QODBBVQNTAATHK-UHFFFAOYSA-N 0 0 419.912 5.074 50 5 HKBARN Cc1c2occ(-c3ccc(-c4ccccc4)cc3)c2cc2c3ccccc3c(=O)oc12 ZINC000002204101 557326329 /nfs/dbraw/zinc/32/63/29/557326329.db2.gz DYCLERUVNBOFTG-UHFFFAOYSA-N 0 0 402.449 7.335 50 5 HKBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2cc(Cl)ccc2Cl)c1=O ZINC000002204287 569296159 /nfs/dbraw/zinc/29/61/59/569296159.db2.gz SFTDQRFYUIVFOE-UHFFFAOYSA-N 0 0 424.291 5.000 50 5 HKBARN CC(C)Oc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000002205159 569296343 /nfs/dbraw/zinc/29/63/43/569296343.db2.gz IMQHSYIDLRZNRM-UHFFFAOYSA-N 0 0 401.897 6.227 50 5 HKBARN O=c1c2ccccc2sc2nc(C3CCCCC3)n(Cc3ccccc3)c(=O)c12 ZINC000002205230 569296405 /nfs/dbraw/zinc/29/64/05/569296405.db2.gz UMWYFDJUGPXVOG-UHFFFAOYSA-N 0 0 402.519 5.067 50 5 HKBARN O=c1oc2c(cccc2[N+](=O)[O-])cc1-c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000002205633 569296282 /nfs/dbraw/zinc/29/62/82/569296282.db2.gz VPPFECBLBPZPSI-UHFFFAOYSA-N 0 0 419.245 5.799 50 5 HKBARN COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000002205640 569295033 /nfs/dbraw/zinc/29/50/33/569295033.db2.gz AIHHBPRNDFWRCS-UHFFFAOYSA-N 0 0 418.478 5.143 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000002205829 569295009 /nfs/dbraw/zinc/29/50/09/569295009.db2.gz KRUWACYDFCKPEZ-UHFFFAOYSA-N 0 0 422.897 5.788 50 5 HKBARN CCCCn1cc(OC(=O)CC(C)C)c2c3nc4ccccc4n3c(CC(C)C)nc21 ZINC000002206101 569296631 /nfs/dbraw/zinc/29/66/31/569296631.db2.gz OHSIALNSVRIBBK-UHFFFAOYSA-N 0 0 420.557 5.787 50 5 HKBARN CC(C)Cc1ccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)cc1 ZINC000002207354 569296939 /nfs/dbraw/zinc/29/69/39/569296939.db2.gz QRUAMXGTFAAGGM-UHFFFAOYSA-N 0 0 406.463 5.690 50 5 HKBARN CCN(CC)c1ccc2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(=O)oc2c1 ZINC000002207625 569296876 /nfs/dbraw/zinc/29/68/76/569296876.db2.gz WZBYDWVBWWTUDB-UHFFFAOYSA-N 0 0 421.478 5.338 50 5 HKBARN CCCCn1c(=O)c2c(=O)c3cc(Cl)ccc3oc2nc1-c1ccc(Cl)cc1 ZINC000002208160 569296898 /nfs/dbraw/zinc/29/68/98/569296898.db2.gz QCPTVJYADCGCGS-UHFFFAOYSA-N 0 0 415.276 5.277 50 5 HKBARN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc([N+](=O)[O-])o1 ZINC000002209694 569297287 /nfs/dbraw/zinc/29/72/87/569297287.db2.gz MNSUMKNBZGZTJU-UHFFFAOYSA-N 0 0 418.192 5.555 50 5 HKBARN CCCCCCn1cc(OC(=O)CCC)c2c3nc4ccccc4n3c(CCC)nc21 ZINC000002215861 569310895 /nfs/dbraw/zinc/31/08/95/569310895.db2.gz POYAPSZLMCNMRN-UHFFFAOYSA-N 0 0 420.557 6.076 50 5 HKBARN CCCCP(=O)(CCCC)c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002216980 569311414 /nfs/dbraw/zinc/31/14/14/569311414.db2.gz DASVPPAHDFJAEZ-UHFFFAOYSA-N 0 0 403.415 5.403 50 5 HKBARN CCc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)n([C@@H](C)CC)c3=O)cc1 ZINC000002222612 569313271 /nfs/dbraw/zinc/31/32/71/569313271.db2.gz QZDCOVWHHMSJCI-HNNXBMFYSA-N 0 0 411.509 5.125 50 5 HKBARN CCc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)n([C@H](C)CC)c3=O)cc1 ZINC000002222614 569313313 /nfs/dbraw/zinc/31/33/13/569313313.db2.gz QZDCOVWHHMSJCI-OAHLLOKOSA-N 0 0 411.509 5.125 50 5 HKBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cc(C)ccc2C)c1=O ZINC000002222865 569313326 /nfs/dbraw/zinc/31/33/26/569313326.db2.gz QMBGWKGHSHXSRA-MRXNPFEDSA-N 0 0 411.509 5.180 50 5 HKBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cc(C)ccc2C)c1=O ZINC000002222866 569313300 /nfs/dbraw/zinc/31/33/00/569313300.db2.gz QMBGWKGHSHXSRA-INIZCTEOSA-N 0 0 411.509 5.180 50 5 HKBARN CCCCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000002225150 569313921 /nfs/dbraw/zinc/31/39/21/569313921.db2.gz ZOPNMOSXPRMPNX-UHFFFAOYSA-N 0 0 406.530 5.712 50 5 HKBARN CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1OC ZINC000002226306 560559352 /nfs/dbraw/zinc/55/93/52/560559352.db2.gz RFEIWHMQKOIPCS-UHFFFAOYSA-N 0 0 413.477 5.202 50 5 HKBARN COc1ccc(-c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c32)cc1 ZINC000002226347 569315291 /nfs/dbraw/zinc/31/52/91/569315291.db2.gz UWSZAGOMQHLFQY-UHFFFAOYSA-N 0 0 412.492 7.279 50 5 HKBARN CC(C)CCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000002229095 569317492 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HKBARN O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccccc2Br)o1 ZINC000002275455 569327714 /nfs/dbraw/zinc/32/77/14/569327714.db2.gz VKFLEMOZXDKSGX-UHFFFAOYSA-N 0 0 419.234 5.426 50 5 HKBARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000002284821 569364494 /nfs/dbraw/zinc/36/44/94/569364494.db2.gz REKTYELJQJZHDZ-UHFFFAOYSA-N 0 0 411.509 5.172 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Cl)c2)cc1 ZINC000002284913 569364515 /nfs/dbraw/zinc/36/45/15/569364515.db2.gz BUJUBUCFFJUGLQ-UHFFFAOYSA-N 0 0 401.813 5.197 50 5 HKBARN Cc1nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c(=O)n1C1CCCCC1 ZINC000002284983 569364516 /nfs/dbraw/zinc/36/45/16/569364516.db2.gz QHLQGHDQFYZTBW-UHFFFAOYSA-N 0 0 423.520 5.156 50 5 HKBARN CCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000002285280 569364518 /nfs/dbraw/zinc/36/45/18/569364518.db2.gz PKUMPWKNBICBLP-UHFFFAOYSA-N 0 0 417.900 5.046 50 5 HKBARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002285823 534936106 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O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000002350414 557339211 /nfs/dbraw/zinc/33/92/11/557339211.db2.gz KAZMHIRIQACSIV-UHFFFAOYSA-N 0 0 400.415 5.645 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn32)c1 ZINC000002351319 569381372 /nfs/dbraw/zinc/38/13/72/569381372.db2.gz LSVPAFOHVMQGHU-UHFFFAOYSA-N 0 0 413.462 5.145 50 5 HKBARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1cccc([N+](=O)[O-])c1 ZINC000002352488 569383108 /nfs/dbraw/zinc/38/31/08/569383108.db2.gz TVJQWLGJFXYTDR-UHFFFAOYSA-N 0 0 412.232 5.268 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 ZINC000002353713 569381217 /nfs/dbraw/zinc/38/12/17/569381217.db2.gz YCKWUACSBAXSEK-UHFFFAOYSA-N 0 0 406.442 5.274 50 5 HKBARN CCCCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1 ZINC000002353736 569385223 /nfs/dbraw/zinc/38/52/23/569385223.db2.gz BZZDOFLXDMYSTN-UHFFFAOYSA-N 0 0 411.505 5.974 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Br)cc2)o1 ZINC000002355565 569385316 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CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000002372394 535096801 /nfs/dbraw/zinc/09/68/01/535096801.db2.gz ZNYOMCDVJIXXKQ-UHFFFAOYSA-N 0 0 414.533 6.010 50 5 HKBARN O=C(Oc1cccc2cccnc21)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000002376932 569389500 /nfs/dbraw/zinc/38/95/00/569389500.db2.gz WYLRUNHMWCIZNJ-UHFFFAOYSA-N 0 0 402.431 5.513 50 5 HKBARN CCCCCOc1ccccc1Cn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000002379331 569389996 /nfs/dbraw/zinc/38/99/96/569389996.db2.gz XXNOTAHVYFFVCX-UHFFFAOYSA-N 0 0 409.533 6.663 50 5 HKBARN Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccc(C(C)(C)C)cc3)c21 ZINC000002379803 569390119 /nfs/dbraw/zinc/39/01/19/569390119.db2.gz STMXEGOCEFLCLU-UHFFFAOYSA-N 0 0 423.560 6.813 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000002381380 569390292 /nfs/dbraw/zinc/39/02/92/569390292.db2.gz BAVJBMBARHMHRA-UHFFFAOYSA-N 0 0 400.463 5.406 50 5 HKBARN CCCCCCc1cc2c(cc1OCc1cccc(OC)c1)oc(=O)c1ccccc12 ZINC000002381471 569390981 /nfs/dbraw/zinc/39/09/81/569390981.db2.gz QQOWJMDNWGAFBR-UHFFFAOYSA-N 0 0 416.517 6.657 50 5 HKBARN Cc1cccc2c3nc4ccccc4nc3n(Cc3ccc(OCCC(C)C)cc3)c21 ZINC000002382816 569391624 /nfs/dbraw/zinc/39/16/24/569391624.db2.gz FSWAVZULAGCLFH-UHFFFAOYSA-N 0 0 409.533 6.519 50 5 HKBARN Cc1cccc2c3nc4ccccc4nc3n(Cc3ccccc3OCCC(C)C)c21 ZINC000002395066 569394330 /nfs/dbraw/zinc/39/43/30/569394330.db2.gz QQVDEHVXDBLBNW-UHFFFAOYSA-N 0 0 409.533 6.519 50 5 HKBARN CCc1cccc(-n2c3nc4ccccc4nc3c3c2nc(C)n([C@@H](C)CC)c3=O)c1 ZINC000002398441 569394723 /nfs/dbraw/zinc/39/47/23/569394723.db2.gz CXIKHZIYTUOKRZ-HNNXBMFYSA-N 0 0 411.509 5.125 50 5 HKBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)c1=O ZINC000002400458 569395427 /nfs/dbraw/zinc/39/54/27/569395427.db2.gz IDHLAWRRYABBFW-MRXNPFEDSA-N 0 0 411.509 5.180 50 5 HKBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)c1=O ZINC000002400459 569395445 /nfs/dbraw/zinc/39/54/45/569395445.db2.gz IDHLAWRRYABBFW-INIZCTEOSA-N 0 0 411.509 5.180 50 5 HKBARN Cc1nc2c(c3nc4ccccc4nc3n2C2CCCCC2)c(=O)n1CCC(C)C ZINC000002400715 569395412 /nfs/dbraw/zinc/39/54/12/569395412.db2.gz DWIQXAACAHLZNG-UHFFFAOYSA-N 0 0 403.530 5.154 50 5 HKBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)c1=O ZINC000002400769 557345032 /nfs/dbraw/zinc/34/50/32/557345032.db2.gz RSPNFBSQNQKADZ-GFCCVEGCSA-N 0 0 421.863 5.047 50 5 HKBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)c1=O ZINC000002400770 557344917 /nfs/dbraw/zinc/34/49/17/557344917.db2.gz RSPNFBSQNQKADZ-LBPRGKRZSA-N 0 0 421.863 5.047 50 5 HKBARN Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccc(Cl)cc3Cl)c21 ZINC000002402772 569395756 /nfs/dbraw/zinc/39/57/56/569395756.db2.gz WPNJFABEMLTMOR-UHFFFAOYSA-N 0 0 422.315 6.432 50 5 HKBARN CC(C)CCn1cnc2c(c3nc4ccccc4nc3n2CCC2=CCCCC2)c1=O ZINC000002404507 569396024 /nfs/dbraw/zinc/39/60/24/569396024.db2.gz FCMAOARRCRIIQL-UHFFFAOYSA-N 0 0 415.541 5.231 50 5 HKBARN Cc1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002406001 569396115 /nfs/dbraw/zinc/39/61/15/569396115.db2.gz TUXSRLVRFUFYST-UHFFFAOYSA-N 0 0 421.836 5.909 50 5 HKBARN CCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1OC ZINC000002406675 569396240 /nfs/dbraw/zinc/39/62/40/569396240.db2.gz HTFXYQAQKIRXCQ-UHFFFAOYSA-N 0 0 411.505 5.892 50 5 HKBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C)c(Cl)c2)c1=O ZINC000002409889 557703462 /nfs/dbraw/zinc/70/34/62/557703462.db2.gz MKOGVBBRNOLAKM-CQSZACIVSA-N 0 0 417.900 5.216 50 5 HKBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C)c(Cl)c2)c1=O ZINC000002409890 569396608 /nfs/dbraw/zinc/39/66/08/569396608.db2.gz MKOGVBBRNOLAKM-AWEZNQCLSA-N 0 0 417.900 5.216 50 5 HKBARN CCCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(CCC(C)C)c2=O ZINC000002411087 569396826 /nfs/dbraw/zinc/39/68/26/569396826.db2.gz VTEUNCPWTHZDFU-UHFFFAOYSA-N 0 0 405.546 5.229 50 5 HKBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(C)c(C)c2)c1=O ZINC000002412527 569397098 /nfs/dbraw/zinc/39/70/98/569397098.db2.gz YFGVPXQMQBSWPC-MRXNPFEDSA-N 0 0 411.509 5.180 50 5 HKBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(C)c(C)c2)c1=O ZINC000002412528 569397099 /nfs/dbraw/zinc/39/70/99/569397099.db2.gz YFGVPXQMQBSWPC-INIZCTEOSA-N 0 0 411.509 5.180 50 5 HKBARN O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1cccc([N+](=O)[O-])c1 ZINC000002414327 569397170 /nfs/dbraw/zinc/39/71/70/569397170.db2.gz LYSHSDHQWIBIAO-UHFFFAOYSA-N 0 0 421.792 5.241 50 5 biogenic HKBARN Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccc(C(C)(C)C)cc3)c21 ZINC000002419982 569397758 /nfs/dbraw/zinc/39/77/58/569397758.db2.gz TUXBSYDWOBKYIS-UHFFFAOYSA-N 0 0 409.533 6.423 50 5 HKBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2CCC2=CCCCC2)c1=O ZINC000002420455 569397931 /nfs/dbraw/zinc/39/79/31/569397931.db2.gz OOODNSCWQYGIDJ-MRXNPFEDSA-N 0 0 401.514 5.156 50 5 HKBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2CCC2=CCCCC2)c1=O ZINC000002420456 569397977 /nfs/dbraw/zinc/39/79/77/569397977.db2.gz OOODNSCWQYGIDJ-INIZCTEOSA-N 0 0 401.514 5.156 50 5 HKBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000002421202 569398088 /nfs/dbraw/zinc/39/80/88/569398088.db2.gz NKAJMTCJLWDILK-CYBMUJFWSA-N 0 0 417.900 5.216 50 5 HKBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000002421203 569398117 /nfs/dbraw/zinc/39/81/17/569398117.db2.gz NKAJMTCJLWDILK-ZDUSSCGKSA-N 0 0 417.900 5.216 50 5 HKBARN CCCCOc1ccccc1Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000002423076 569398323 /nfs/dbraw/zinc/39/83/23/569398323.db2.gz YPQYJJLISUPHAZ-UHFFFAOYSA-N 0 0 411.505 5.974 50 5 HKBARN CCc1nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c(=O)n1C1CCCCC1 ZINC000002423881 569398257 /nfs/dbraw/zinc/39/82/57/569398257.db2.gz MUVBNNYNUVYYEB-UHFFFAOYSA-N 0 0 423.520 5.351 50 5 HKBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(C(C)C)cc2)c1=O ZINC000002424086 569398355 /nfs/dbraw/zinc/39/83/55/569398355.db2.gz IKBDPHHJYQBATI-UHFFFAOYSA-N 0 0 411.509 5.125 50 5 HKBARN CCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O ZINC000002426378 569398634 /nfs/dbraw/zinc/39/86/34/569398634.db2.gz BXZYHNLYABVCDO-UHFFFAOYSA-N 0 0 415.472 5.003 50 5 HKBARN Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccc4ccccc4c3)c21 ZINC000002426580 569398664 /nfs/dbraw/zinc/39/86/64/569398664.db2.gz BXTZSEKBAZKGNK-UHFFFAOYSA-N 0 0 417.512 6.668 50 5 HKBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccc(Cl)cc3)nc21 ZINC000002430541 569399201 /nfs/dbraw/zinc/39/92/01/569399201.db2.gz RJFCYIGYDFZPHM-UHFFFAOYSA-N 0 0 419.912 5.074 50 5 HKBARN C[C@H]1CCc2c(C(=O)Nc3ncc(Cc4cccc([N+](=O)[O-])c4)s3)csc2C1 ZINC000002430974 569399071 /nfs/dbraw/zinc/39/90/71/569399071.db2.gz NNGSPTZQIYKFOW-LBPRGKRZSA-N 0 0 413.524 5.081 50 5 HKBARN C[C@@H]1CCc2c(C(=O)Nc3ncc(Cc4cccc([N+](=O)[O-])c4)s3)csc2C1 ZINC000002430976 569399081 /nfs/dbraw/zinc/39/90/81/569399081.db2.gz NNGSPTZQIYKFOW-GFCCVEGCSA-N 0 0 413.524 5.081 50 5 HKBARN Cc1cccc2c3nc4ccccc4nc3n(CCOc3cccc4ccccc43)c21 ZINC000002432400 569399386 /nfs/dbraw/zinc/39/93/86/569399386.db2.gz PWMIJZLPGLKULY-UHFFFAOYSA-N 0 0 403.485 6.278 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccccc3Cl)nc21 ZINC000002433914 569399325 /nfs/dbraw/zinc/39/93/25/569399325.db2.gz NFHPVPLEGSRHMG-UHFFFAOYSA-N 0 0 424.891 5.691 50 5 HKBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)c1=O ZINC000002434785 569399499 /nfs/dbraw/zinc/39/94/99/569399499.db2.gz KTUBUOFOOYSSMZ-UHFFFAOYSA-N 0 0 424.291 5.000 50 5 HKBARN CCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2CCC(C)C)c1=O ZINC000002436330 569399732 /nfs/dbraw/zinc/39/97/32/569399732.db2.gz TZKBQWQBWIOOQW-UHFFFAOYSA-N 0 0 405.546 5.229 50 5 HKBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccccc1Cl ZINC000002438240 569399956 /nfs/dbraw/zinc/39/99/56/569399956.db2.gz VOGNWDMYWAWRJR-UHFFFAOYSA-N 0 0 417.896 5.869 50 5 HKBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2CCC2=CCCCC2)c1=O ZINC000002440666 569400606 /nfs/dbraw/zinc/40/06/06/569400606.db2.gz YIPIUIDGPLBGKB-MRXNPFEDSA-N 0 0 415.541 5.464 50 5 HKBARN Cc1ccc(-n2c(Cc3cccs3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002441838 569400490 /nfs/dbraw/zinc/40/04/90/569400490.db2.gz LQWOTPUMRCSDQC-UHFFFAOYSA-N 0 0 422.535 5.429 50 5 HKBARN CCc1ccc(-n2c3ncn(C4CCCCC4)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000002442044 569400715 /nfs/dbraw/zinc/40/07/15/569400715.db2.gz JOOXQZXLHANQAT-UHFFFAOYSA-N 0 0 423.520 5.351 50 5 HKBARN Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000002442331 569400855 /nfs/dbraw/zinc/40/08/55/569400855.db2.gz QBWGDVUMSNBRAN-UHFFFAOYSA-N 0 0 416.506 5.752 50 5 HKBARN COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 ZINC000002446081 569400566 /nfs/dbraw/zinc/40/05/66/569400566.db2.gz XVSFZSPKIVYSCV-UHFFFAOYSA-N 0 0 424.507 5.205 50 5 HKBARN Cc1cccc2c3nc4ccccc4nc3n(CCCOc3cccc4ccccc43)c21 ZINC000002448673 569401975 /nfs/dbraw/zinc/40/19/75/569401975.db2.gz AZUUDPBTNHTUKZ-UHFFFAOYSA-N 0 0 417.512 6.668 50 5 HKBARN Brc1ccc(-c2cc(-c3ccccn3)nc3ccc4ccccc4c32)cc1 ZINC000002452597 557349421 /nfs/dbraw/zinc/34/94/21/557349421.db2.gz NDTXEINQPPCYSE-UHFFFAOYSA-N 0 0 411.302 6.880 50 5 HKBARN Cc1nc2ccc3nc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)sc3c2s1 ZINC000002454844 569409681 /nfs/dbraw/zinc/40/96/81/569409681.db2.gz IKFJCYTZXDWYJC-UHFFFAOYSA-N 0 0 404.860 5.028 50 5 HKBARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002462276 568772391 /nfs/dbraw/zinc/77/23/91/568772391.db2.gz JEFLZVLOMIJIOW-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN Cn1cc(C(/C=C/c2ccc([N+](=O)[O-])o2)c2cn(C)c3ccccc23)c2ccccc21 ZINC000002463712 568585488 /nfs/dbraw/zinc/58/54/88/568585488.db2.gz COJWPDGNGMKRIK-ACCUITESSA-N 0 0 411.461 6.017 50 5 HKBARN O=[N+]([O-])c1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1 ZINC000002468771 568772944 /nfs/dbraw/zinc/77/29/44/568772944.db2.gz YFRWZIYSYFYPSC-UHFFFAOYSA-N 0 0 420.266 6.081 50 5 HKBARN CCOc1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1 ZINC000002479630 568774076 /nfs/dbraw/zinc/77/40/76/568774076.db2.gz XNPCQOHMQXAZQR-UHFFFAOYSA-N 0 0 401.465 6.665 50 5 HKBARN O=c1oc2ccccc2cc1-c1csc(-c2cc3c(ccc4ccccc43)oc2=O)n1 ZINC000002491030 568775810 /nfs/dbraw/zinc/77/58/10/568775810.db2.gz GXVKLMIRQXNVMH-UHFFFAOYSA-N 0 0 423.449 5.843 50 5 HKBARN O=C(c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2c1ccc1ccccc12)c1ccccc1 ZINC000002529441 568779535 /nfs/dbraw/zinc/77/95/35/568779535.db2.gz DIZKZWVSDNWXPH-UHFFFAOYSA-N 0 0 420.424 5.463 50 5 HKBARN O=C(OCc1cc([N+](=O)[O-])ccc1SC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000002534548 568781138 /nfs/dbraw/zinc/78/11/38/568781138.db2.gz YNOXUIYJWQZKJF-UHFFFAOYSA-N 0 0 416.455 5.285 50 5 HKBARN O=C1NC(=S)SC1=Cc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000002556233 568782958 /nfs/dbraw/zinc/78/29/58/568782958.db2.gz MMIGMPORNZDZMU-RIYZIHGNSA-N 0 0 408.913 5.729 50 5 HKBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000002556234 568782426 /nfs/dbraw/zinc/78/24/26/568782426.db2.gz RVEPOYQRHGOYMW-RIYZIHGNSA-N 0 0 408.913 5.729 50 5 HKBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000002617024 568785794 /nfs/dbraw/zinc/78/57/94/568785794.db2.gz RCHYHGUPHVMLAR-UHFFFAOYSA-N 0 0 406.384 5.634 50 5 HKBARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000002621148 568787772 /nfs/dbraw/zinc/78/77/72/568787772.db2.gz CHCUHZNAABIBMV-IBGZPJMESA-N 0 0 411.501 5.287 50 5 HKBARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000002621149 568787800 /nfs/dbraw/zinc/78/78/00/568787800.db2.gz CHCUHZNAABIBMV-LJQANCHMSA-N 0 0 411.501 5.287 50 5 HKBARN CCc1ccc(C(=O)COC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000002621815 568787961 /nfs/dbraw/zinc/78/79/61/568787961.db2.gz VFDCSEBSASBCNL-UHFFFAOYSA-N 0 0 421.474 5.348 50 5 HKBARN Cc1ccc2c(Cl)cc(Cl)c(OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2n1 ZINC000002623250 568788560 /nfs/dbraw/zinc/78/85/60/568788560.db2.gz HQWWWWAPAPOEPO-UHFFFAOYSA-N 0 0 421.236 5.204 50 5 HKBARN O=C(CSc1nc(-c2cccs2)cn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000002629368 568790227 /nfs/dbraw/zinc/79/02/27/568790227.db2.gz AUDQKODKXXKWBL-UHFFFAOYSA-N 0 0 421.503 5.484 50 5 HKBARN Cc1cccn2cc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc12 ZINC000002629402 568790132 /nfs/dbraw/zinc/79/01/32/568790132.db2.gz JECOVRLTRQMWMC-UHFFFAOYSA-N 0 0 406.829 5.124 50 5 HKBARN C[C@H](OC(=O)c1c2ccccc2cc2ccccc21)C(=O)NCCC1=CCCCC1 ZINC000002642938 568794224 /nfs/dbraw/zinc/79/42/24/568794224.db2.gz LUJSSQRLXBQDML-SFHVURJKSA-N 0 0 401.506 5.545 50 5 HKBARN C[C@@H](OC(=O)c1c2ccccc2cc2ccccc21)C(=O)NCCC1=CCCCC1 ZINC000002642939 568794255 /nfs/dbraw/zinc/79/42/55/568794255.db2.gz LUJSSQRLXBQDML-GOSISDBHSA-N 0 0 401.506 5.545 50 5 HKBARN CC(C)Cn1c(=O)c2ccccc2nc1Sc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000002644186 568794614 /nfs/dbraw/zinc/79/46/14/568794614.db2.gz SAKIXFZFCICVEA-UHFFFAOYSA-N 0 0 423.416 5.131 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)cc1 ZINC000002644969 568794709 /nfs/dbraw/zinc/79/47/09/568794709.db2.gz DJBAVLDLBDQXFD-UHFFFAOYSA-N 0 0 424.526 5.257 50 5 HKBARN Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1CCC(C)C ZINC000002645211 568794839 /nfs/dbraw/zinc/79/48/39/568794839.db2.gz ICTLICYOQOOPCY-UHFFFAOYSA-N 0 0 417.556 5.644 50 5 HKBARN O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000002651217 568796279 /nfs/dbraw/zinc/79/62/79/568796279.db2.gz VDJZNPZVPAZMEO-UHFFFAOYSA-N 0 0 418.478 5.331 50 5 HKBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1Cc1cccs1 ZINC000002652999 568796950 /nfs/dbraw/zinc/79/69/50/568796950.db2.gz NAENCTRKGNXGDH-UHFFFAOYSA-N 0 0 404.875 5.038 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)c1 ZINC000002653298 568797122 /nfs/dbraw/zinc/79/71/22/568797122.db2.gz UOCYNFKYSSBIPJ-UHFFFAOYSA-N 0 0 414.556 5.636 50 5 HKBARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000002655413 568797694 /nfs/dbraw/zinc/79/76/94/568797694.db2.gz DDUDDZOUKFINHF-GOSISDBHSA-N 0 0 411.501 6.302 50 5 HKBARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000002655414 568797647 /nfs/dbraw/zinc/79/76/47/568797647.db2.gz DDUDDZOUKFINHF-SFHVURJKSA-N 0 0 411.501 6.302 50 5 HKBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cnc(Cl)c(Cl)c1 ZINC000002657703 568798292 /nfs/dbraw/zinc/79/82/92/568798292.db2.gz RLMOMNOXNDCPDU-UHFFFAOYSA-N 0 0 400.217 5.005 50 5 HKBARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc([N+](=O)[O-])s1 ZINC000002659820 568796328 /nfs/dbraw/zinc/79/63/28/568796328.db2.gz UVIVQCJHVPVMIF-UHFFFAOYSA-N 0 0 400.268 5.339 50 5 HKBARN Cc1ccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1[N+](=O)[O-] ZINC000002661136 568799206 /nfs/dbraw/zinc/79/92/06/568799206.db2.gz OIVVGCODOCOAMH-QHCPKHFHSA-N 0 0 414.417 5.166 50 5 HKBARN Cc1ccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1[N+](=O)[O-] ZINC000002661137 568799133 /nfs/dbraw/zinc/79/91/33/568799133.db2.gz OIVVGCODOCOAMH-HSZRJFAPSA-N 0 0 414.417 5.166 50 5 HKBARN Clc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)c(Cl)c1 ZINC000002667995 557740985 /nfs/dbraw/zinc/74/09/85/557740985.db2.gz BEMBFPFCOJMRLW-UHFFFAOYSA-N 0 0 408.288 6.124 50 5 HKBARN CC(C)(C)c1ccc(OCCCn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000002668002 557740899 /nfs/dbraw/zinc/74/08/99/557740899.db2.gz IPNMLYSIXMSLIE-UHFFFAOYSA-N 0 0 409.533 6.504 50 5 HKBARN Cc1ccc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 ZINC000002668011 557740912 /nfs/dbraw/zinc/74/09/12/557740912.db2.gz VSYNUSKUHDUROQ-UHFFFAOYSA-N 0 0 402.295 5.857 50 5 HKBARN COc1ccccc1Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000002668690 557740941 /nfs/dbraw/zinc/74/09/41/557740941.db2.gz VWZWFSKDOKEKNO-UHFFFAOYSA-N 0 0 418.294 5.557 50 5 HKBARN Cc1ccc(C(C)C)c(OCCCn2c3ccccc3c3nc4ccccc4nc32)c1 ZINC000002668937 569322183 /nfs/dbraw/zinc/32/21/83/569322183.db2.gz VJWWSKCUVWFYGL-UHFFFAOYSA-N 0 0 409.533 6.639 50 5 HKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000002699337 568801125 /nfs/dbraw/zinc/80/11/25/568801125.db2.gz YSEUIDQBIYKAEE-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=[N+]([O-])C[C@H](c1c2ccccc2[nH]c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002708412 568801961 /nfs/dbraw/zinc/80/19/61/568801961.db2.gz MFELYSNKOJZKIN-IBGZPJMESA-N 0 0 411.288 6.550 50 5 HKBARN O=[N+]([O-])C[C@@H](c1c2ccccc2[nH]c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002708414 568801887 /nfs/dbraw/zinc/80/18/87/568801887.db2.gz MFELYSNKOJZKIN-LJQANCHMSA-N 0 0 411.288 6.550 50 5 HKBARN Cn1c2ccccc2c([C@@H](C[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)c1-c1ccccc1 ZINC000002708460 568801745 /nfs/dbraw/zinc/80/17/45/568801745.db2.gz CFNRVGJVFNBQMA-FQEVSTJZSA-N 0 0 424.422 6.273 50 5 HKBARN Cn1c2ccccc2c([C@H](C[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)c1-c1ccccc1 ZINC000002708462 568801805 /nfs/dbraw/zinc/80/18/05/568801805.db2.gz CFNRVGJVFNBQMA-HXUWFJFHSA-N 0 0 424.422 6.273 50 5 HKBARN O=[N+]([O-])C[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000002708492 568801993 /nfs/dbraw/zinc/80/19/93/568801993.db2.gz BSABZSQBCDKBDP-SFHVURJKSA-N 0 0 411.288 6.550 50 5 HKBARN O=[N+]([O-])C[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000002708495 568802004 /nfs/dbraw/zinc/80/20/04/568802004.db2.gz BSABZSQBCDKBDP-GOSISDBHSA-N 0 0 411.288 6.550 50 5 HKBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000002716185 557750329 /nfs/dbraw/zinc/75/03/29/557750329.db2.gz RWURJKSVEPEJOG-UHFFFAOYSA-N 0 0 401.771 5.176 50 5 HKBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc(Cl)c(Cl)cc1Cl ZINC000002716188 557750290 /nfs/dbraw/zinc/75/02/90/557750290.db2.gz GHGCAAFCFZKNEU-UHFFFAOYSA-N 0 0 402.664 5.464 50 5 HKBARN Cc1nn(-c2ccccc2)c(OC(=O)CC(C)C)c1Sc1ccccc1[N+](=O)[O-] ZINC000002718499 568802507 /nfs/dbraw/zinc/80/25/07/568802507.db2.gz RVMGZRPNSVRXQF-UHFFFAOYSA-N 0 0 411.483 5.192 50 5 HKBARN CCCCC(=O)Oc1c(Sc2ccccc2[N+](=O)[O-])c(C)nn1-c1ccccc1 ZINC000002718504 568802659 /nfs/dbraw/zinc/80/26/59/568802659.db2.gz KVFIAQBDHSQGRY-UHFFFAOYSA-N 0 0 411.483 5.336 50 5 HKBARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccco2)c1Sc1ccccc1[N+](=O)[O-] ZINC000002718511 568802077 /nfs/dbraw/zinc/80/20/77/568802077.db2.gz DNYSLOVVFKISAM-UHFFFAOYSA-N 0 0 421.434 5.052 50 5 HKBARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2[N+](=O)[O-])c1Sc1ccccc1 ZINC000002718562 568802146 /nfs/dbraw/zinc/80/21/46/568802146.db2.gz PRRVFVREXMVEMN-UHFFFAOYSA-N 0 0 411.483 5.225 50 5 HKBARN Cc1nn(C(C)(C)C)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1Sc1ccccc1 ZINC000002718563 568802148 /nfs/dbraw/zinc/80/21/48/568802148.db2.gz GJUSKRQXLZYJJQ-UHFFFAOYSA-N 0 0 411.483 5.225 50 5 HKBARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1Sc1ccccc1 ZINC000002718564 568802150 /nfs/dbraw/zinc/80/21/50/568802150.db2.gz OMHZGPXCXARXQO-UHFFFAOYSA-N 0 0 411.483 5.225 50 5 HKBARN Cc1nn(C(C)(C)C)c(OC(=O)C2CCCC2)c1Sc1ccccc1[N+](=O)[O-] ZINC000002718566 568802164 /nfs/dbraw/zinc/80/21/64/568802164.db2.gz JLVPPDCRELOFBN-UHFFFAOYSA-N 0 0 403.504 5.102 50 5 HKBARN CCC(CC)C(=O)Oc1c(Sc2ccccc2[N+](=O)[O-])c(C)nn1C(C)(C)C ZINC000002718586 568802936 /nfs/dbraw/zinc/80/29/36/568802936.db2.gz LEUFJLZNOHVYLY-UHFFFAOYSA-N 0 0 405.520 5.348 50 5 HKBARN Cc1nn(C(C)(C)C)c(OC(=O)C2CCCCC2)c1Sc1ccccc1[N+](=O)[O-] ZINC000002718587 568802108 /nfs/dbraw/zinc/80/21/08/568802108.db2.gz BSNIAJCMEGXSLD-UHFFFAOYSA-N 0 0 417.531 5.492 50 5 HKBARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2)c1Sc1ccccc1[N+](=O)[O-] ZINC000002718592 568802141 /nfs/dbraw/zinc/80/21/41/568802141.db2.gz NPZWXIXBMBAQPM-UHFFFAOYSA-N 0 0 411.483 5.225 50 5 HKBARN Cc1nn(C(C)(C)C)c(OC(=O)c2cccs2)c1Sc1ccccc1[N+](=O)[O-] ZINC000002718608 568802081 /nfs/dbraw/zinc/80/20/81/568802081.db2.gz CMJAOUAVGDFUFE-UHFFFAOYSA-N 0 0 417.512 5.287 50 5 HKBARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cn3ccc([N+](=O)[O-])n3)n2)cc1C ZINC000002733401 568804301 /nfs/dbraw/zinc/80/43/01/568804301.db2.gz OLYCVOFNSHQNPC-UHFFFAOYSA-N 0 0 401.470 5.061 50 5 HKBARN Cc1c(-c2ccc(C)c(C)c2)nn(Cn2cc([N+](=O)[O-])cn2)c1-c1ccc(C)c(C)c1 ZINC000002733418 568805290 /nfs/dbraw/zinc/80/52/90/568805290.db2.gz DLFCTLNCPQVDNI-UHFFFAOYSA-N 0 0 415.497 5.370 50 5 HKBARN Cc1c(-c2ccc(F)cc2)nn(Cc2cccc([N+](=O)[O-])c2)c1-c1ccc(F)cc1 ZINC000002733502 568805303 /nfs/dbraw/zinc/80/53/03/568805303.db2.gz PNEFKZZCSWRCLN-UHFFFAOYSA-N 0 0 405.404 5.760 50 5 HKBARN Cc1nn(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000002736438 568805533 /nfs/dbraw/zinc/80/55/33/568805533.db2.gz QUCYWOVWVBOHPB-UHFFFAOYSA-N 0 0 419.268 5.016 50 5 HKBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000002737374 568804664 /nfs/dbraw/zinc/80/46/64/568804664.db2.gz BRBZYUPDPFICAF-UHFFFAOYSA-N 0 0 409.254 5.669 50 5 HKBARN CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCCCC2 ZINC000002738673 568804556 /nfs/dbraw/zinc/80/45/56/568804556.db2.gz BGHZIRUEORAGRB-UHFFFAOYSA-N 0 0 416.499 5.053 50 5 HKBARN Cc1cc(C)c2c(n1)sc1c3nc(COc4ccc5ccccc5c4)nn3cnc12 ZINC000002740894 568806093 /nfs/dbraw/zinc/80/60/93/568806093.db2.gz XVAKRUILGPOPAE-UHFFFAOYSA-N 0 0 411.490 5.236 50 5 HKBARN CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 ZINC000002741756 568805780 /nfs/dbraw/zinc/80/57/80/568805780.db2.gz VTILTHBQWJOEIA-LJQANCHMSA-N 0 0 423.498 5.232 50 5 HKBARN CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 ZINC000002741757 568805812 /nfs/dbraw/zinc/80/58/12/568805812.db2.gz VTILTHBQWJOEIA-IBGZPJMESA-N 0 0 423.498 5.232 50 5 HKBARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000002744397 568806197 /nfs/dbraw/zinc/80/61/97/568806197.db2.gz IQYLSNKHTBEFEX-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCCC2 ZINC000002744926 568805779 /nfs/dbraw/zinc/80/57/79/568805779.db2.gz IJXPIDRLTKSCSO-UHFFFAOYSA-N 0 0 416.499 5.053 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(Cl)c4)cc3)sc2c1 ZINC000002747259 568806030 /nfs/dbraw/zinc/80/60/30/568806030.db2.gz QOWDXZXSBGYPJE-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN O=C(c1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002749128 568806431 /nfs/dbraw/zinc/80/64/31/568806431.db2.gz DFJGAOUBIMADDH-QHCPKHFHSA-N 0 0 415.424 5.003 50 5 HKBARN Cc1ccccc1N1C(=O)c2cc3oc4ccccc4c4ccccc4oc3cc2C1=O ZINC000002751241 568806727 /nfs/dbraw/zinc/80/67/27/568806727.db2.gz KXILVXUNPFJTRQ-UHFFFAOYSA-N 0 0 419.436 6.566 50 5 HKBARN O=C(Oc1cccc2cccnc21)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000002751248 568806386 /nfs/dbraw/zinc/80/63/86/568806386.db2.gz DWFCFTSRIXHSFH-UHFFFAOYSA-N 0 0 402.431 5.513 50 5 HKBARN O=C(Nc1ccc(F)cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000002751289 568806387 /nfs/dbraw/zinc/80/63/87/568806387.db2.gz GPJGVBRJPWHHAX-UHFFFAOYSA-N 0 0 402.834 5.791 50 5 HKBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000002751349 568806384 /nfs/dbraw/zinc/80/63/84/568806384.db2.gz GBYSMLFAHVFPIT-UHFFFAOYSA-N 0 0 418.396 6.017 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000002753307 568806550 /nfs/dbraw/zinc/80/65/50/568806550.db2.gz JTXYKJUYDVFZMU-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000002755875 568806767 /nfs/dbraw/zinc/80/67/67/568806767.db2.gz JKRRZHAQUULOMZ-UHFFFAOYSA-N 0 0 424.545 5.256 50 5 HKBARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002760145 568806736 /nfs/dbraw/zinc/80/67/36/568806736.db2.gz AAPRHHPGANRYSV-UHFFFAOYSA-N 0 0 421.236 5.004 50 5 HKBARN CCc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2C(=O)OC)cc1 ZINC000002760807 568807133 /nfs/dbraw/zinc/80/71/33/568807133.db2.gz CKCDTLQEZLKSEC-UHFFFAOYSA-N 0 0 424.478 5.233 50 5 HKBARN CCOc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000002761240 568807378 /nfs/dbraw/zinc/80/73/78/568807378.db2.gz YRGMLFAIQIYYBP-UHFFFAOYSA-N 0 0 416.817 5.071 50 5 HKBARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002761389 568807037 /nfs/dbraw/zinc/80/70/37/568807037.db2.gz FYUYONNXKZOEKL-UHFFFAOYSA-N 0 0 419.268 5.016 50 5 HKBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002761822 568807386 /nfs/dbraw/zinc/80/73/86/568807386.db2.gz QQLDIWBTEFRHLO-UHFFFAOYSA-N 0 0 407.209 5.326 50 5 HKBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C2CCCCC2)cc1 ZINC000002762318 568807052 /nfs/dbraw/zinc/80/70/52/568807052.db2.gz ASEUTYUUFBIUGZ-UHFFFAOYSA-N 0 0 401.846 5.336 50 5 HKBARN Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OC(C)C)c1-c1ccccc1 ZINC000002763119 568807058 /nfs/dbraw/zinc/80/70/58/568807058.db2.gz ZUGHPPWNOLPOQZ-UHFFFAOYSA-N 0 0 424.478 5.449 50 5 HKBARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002763239 568807136 /nfs/dbraw/zinc/80/71/36/568807136.db2.gz CUYCLLRZWUZOIN-UHFFFAOYSA-N 0 0 424.453 5.325 50 5 HKBARN COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002763674 568807082 /nfs/dbraw/zinc/80/70/82/568807082.db2.gz JJGCJGORWXDSOR-UHFFFAOYSA-N 0 0 412.829 5.088 50 5 HKBARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002763875 568807254 /nfs/dbraw/zinc/80/72/54/568807254.db2.gz SYDAMBMYJFHSTJ-UHFFFAOYSA-N 0 0 407.209 5.326 50 5 HKBARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)oc2c1 ZINC000002765498 568807434 /nfs/dbraw/zinc/80/74/34/568807434.db2.gz BJQIUFFVYBRLTI-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN O=C(Nc1cccc2ccccc21)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000002766420 568807159 /nfs/dbraw/zinc/80/71/59/568807159.db2.gz RYDZASJPYROFDA-UHFFFAOYSA-N 0 0 400.459 6.152 50 5 HKBARN COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)scc1-c1ccc(C)cc1 ZINC000002767914 568807271 /nfs/dbraw/zinc/80/72/71/568807271.db2.gz VFHQDKTZLXSWPT-DHZHZOJOSA-N 0 0 422.462 5.070 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(Cl)ccc4[N+](=O)[O-])cc3)sc2c1 ZINC000002773920 568807774 /nfs/dbraw/zinc/80/77/74/568807774.db2.gz HZKRHEWTUUIODV-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000002776458 568807752 /nfs/dbraw/zinc/80/77/52/568807752.db2.gz WEXIXAUDOGEFNJ-UHFFFAOYSA-N 0 0 421.474 5.403 50 5 HKBARN CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1 ZINC000002797952 568809589 /nfs/dbraw/zinc/80/95/89/568809589.db2.gz HGMKAGJPCHTEKM-ZDUSSCGKSA-N 0 0 407.499 5.065 50 5 HKBARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1 ZINC000002797953 568809690 /nfs/dbraw/zinc/80/96/90/568809690.db2.gz HGMKAGJPCHTEKM-CYBMUJFWSA-N 0 0 407.499 5.065 50 5 HKBARN CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1 ZINC000002798015 568809656 /nfs/dbraw/zinc/80/96/56/568809656.db2.gz STCMCMNDSRJADG-AWEZNQCLSA-N 0 0 421.526 5.455 50 5 HKBARN CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1 ZINC000002798016 568809563 /nfs/dbraw/zinc/80/95/63/568809563.db2.gz STCMCMNDSRJADG-CQSZACIVSA-N 0 0 421.526 5.455 50 5 HKBARN CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5[N+](=O)[O-])nc4c23)C1 ZINC000002798278 568810809 /nfs/dbraw/zinc/81/08/09/568810809.db2.gz BMOQTNVUOWFHJX-ZDUSSCGKSA-N 0 0 421.526 5.455 50 5 HKBARN CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5[N+](=O)[O-])nc4c23)C1 ZINC000002798279 568810800 /nfs/dbraw/zinc/81/08/00/568810800.db2.gz BMOQTNVUOWFHJX-CYBMUJFWSA-N 0 0 421.526 5.455 50 5 HKBARN CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5[N+](=O)[O-])nc4c23)C1 ZINC000002798452 568809653 /nfs/dbraw/zinc/80/96/53/568809653.db2.gz TZQVFAJZHFNJIC-LBPRGKRZSA-N 0 0 407.499 5.065 50 5 HKBARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5[N+](=O)[O-])nc4c23)C1 ZINC000002798453 568809669 /nfs/dbraw/zinc/80/96/69/568809669.db2.gz TZQVFAJZHFNJIC-GFCCVEGCSA-N 0 0 407.499 5.065 50 5 HKBARN CC1(C)C=C(c2ccccc2)c2c3ccccc3c3ccccc3c2C(c2ccccc2)=C1 ZINC000002810007 557393728 /nfs/dbraw/zinc/39/37/28/557393728.db2.gz LFFGAMIJVVYKPA-UHFFFAOYSA-N 0 0 422.571 8.896 50 5 HKBARN CCCc1cc(=O)oc2c(C)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 ZINC000002810279 568810986 /nfs/dbraw/zinc/81/09/86/568810986.db2.gz UAUVTPSZXUVFIA-UHFFFAOYSA-N 0 0 407.344 5.773 50 5 HKBARN Cc1cc(OCc2ccc([N+](=O)[O-])cc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002810426 568812175 /nfs/dbraw/zinc/81/21/75/568812175.db2.gz AWGHFQYDZFZDLY-UHFFFAOYSA-N 0 0 415.445 5.488 50 5 HKBARN Cc1cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)ccc1[N+](=O)[O-] ZINC000002811391 568812217 /nfs/dbraw/zinc/81/22/17/568812217.db2.gz BLBJWCPSZFNLNX-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccccc1[N+](=O)[O-] ZINC000002811430 568812213 /nfs/dbraw/zinc/81/22/13/568812213.db2.gz PSVITYGVDSFVJX-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002813386 568812143 /nfs/dbraw/zinc/81/21/43/568812143.db2.gz VMXCEZQZUVMFJY-UHFFFAOYSA-N 0 0 419.717 5.218 50 5 HKBARN Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002814099 568812154 /nfs/dbraw/zinc/81/21/54/568812154.db2.gz ADXAKPWVEMEAIG-UHFFFAOYSA-N 0 0 415.445 5.488 50 5 HKBARN COc1ccc2nc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)sc2c1 ZINC000002825019 568812231 /nfs/dbraw/zinc/81/22/31/568812231.db2.gz AQNYVDKWZWGDSH-UHFFFAOYSA-N 0 0 419.871 5.334 50 5 HKBARN Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000002825823 568812239 /nfs/dbraw/zinc/81/22/39/568812239.db2.gz RKQCJZYSSUOMAG-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000002827102 568812226 /nfs/dbraw/zinc/81/22/26/568812226.db2.gz VMXVRJDMVLBIHM-HNNXBMFYSA-N 0 0 415.401 5.018 50 5 HKBARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000002827103 568812372 /nfs/dbraw/zinc/81/23/72/568812372.db2.gz VMXVRJDMVLBIHM-OAHLLOKOSA-N 0 0 415.401 5.018 50 5 HKBARN O=C(Nc1ccc(Oc2ccccc2-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000002833440 568812390 /nfs/dbraw/zinc/81/23/90/568812390.db2.gz NYAARYADGGWLCG-UHFFFAOYSA-N 0 0 410.429 6.306 50 5 HKBARN Cc1cccc(Nc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cs2)n1 ZINC000002835311 568812468 /nfs/dbraw/zinc/81/24/68/568812468.db2.gz WAKQMSROFAVIMA-UHFFFAOYSA-N 0 0 412.858 6.079 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002835328 568812453 /nfs/dbraw/zinc/81/24/53/568812453.db2.gz JOFZEELICZZWFB-UHFFFAOYSA-N 0 0 418.478 5.143 50 5 HKBARN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000002836155 568812728 /nfs/dbraw/zinc/81/27/28/568812728.db2.gz LQLSBZGHHMNWFB-OAHLLOKOSA-N 0 0 415.449 6.169 50 5 HKBARN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000002836156 568812623 /nfs/dbraw/zinc/81/26/23/568812623.db2.gz LQLSBZGHHMNWFB-HNNXBMFYSA-N 0 0 415.449 6.169 50 5 HKBARN Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000002836786 568812718 /nfs/dbraw/zinc/81/27/18/568812718.db2.gz DFULWPKNFSQHRW-UHFFFAOYSA-N 0 0 410.543 5.597 50 5 HKBARN CC(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000002837074 568812738 /nfs/dbraw/zinc/81/27/38/568812738.db2.gz PXUISTKXNDJJOB-UHFFFAOYSA-N 0 0 402.907 5.455 50 5 HKBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1C ZINC000002837117 568812649 /nfs/dbraw/zinc/81/26/49/568812649.db2.gz HYNVVFPSJPGDLE-UHFFFAOYSA-N 0 0 416.506 5.752 50 5 HKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(-c2cc3ccccc3oc2=O)n1 ZINC000002837504 557766866 /nfs/dbraw/zinc/76/68/66/557766866.db2.gz ZRAXQZIVXJTMBD-UHFFFAOYSA-N 0 0 423.449 5.843 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000002837646 568812745 /nfs/dbraw/zinc/81/27/45/568812745.db2.gz GJRZQRXCGDVPBE-UHFFFAOYSA-N 0 0 422.897 5.788 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000002837974 568812581 /nfs/dbraw/zinc/81/25/81/568812581.db2.gz HRTZNPGOXKHNTG-UHFFFAOYSA-N 0 0 420.469 5.198 50 5 HKBARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000002838253 568812682 /nfs/dbraw/zinc/81/26/82/568812682.db2.gz JOMVOKWUUZWSBC-UHFFFAOYSA-N 0 0 416.506 5.367 50 5 HKBARN Cc1cccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)c1 ZINC000002838336 568812631 /nfs/dbraw/zinc/81/26/31/568812631.db2.gz UXSOQGLNEKOPMZ-UHFFFAOYSA-N 0 0 402.479 5.443 50 5 HKBARN CCc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 ZINC000002838381 568812687 /nfs/dbraw/zinc/81/26/87/568812687.db2.gz UQRMUAUGAYXOGC-UHFFFAOYSA-N 0 0 416.506 5.697 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)c1 ZINC000002838495 568812725 /nfs/dbraw/zinc/81/27/25/568812725.db2.gz YLCWJOKWQPDFNE-UHFFFAOYSA-N 0 0 420.469 5.198 50 5 HKBARN O=C(Nc1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000002838735 568812726 /nfs/dbraw/zinc/81/27/26/568812726.db2.gz APYURYUQRGGOMP-UHFFFAOYSA-N 0 0 419.289 6.305 50 5 HKBARN O=C(NC1CCCCCC1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000002838990 568812684 /nfs/dbraw/zinc/81/26/84/568812684.db2.gz FRVJGXSAOJREGG-UHFFFAOYSA-N 0 0 422.403 5.859 50 5 HKBARN Cc1ccc(C)c(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000002839401 568812713 /nfs/dbraw/zinc/81/27/13/568812713.db2.gz QBXODYTXYMHBGN-UHFFFAOYSA-N 0 0 412.898 6.269 50 5 HKBARN CCc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000002839748 568812730 /nfs/dbraw/zinc/81/27/30/568812730.db2.gz CVSOXTMKJUQPPN-UHFFFAOYSA-N 0 0 412.898 6.214 50 5 HKBARN Cc1c(OCC(=O)c2ccc(Cl)c(Cl)c2)ccc2c3ccccc3c(=O)oc12 ZINC000002841803 568813127 /nfs/dbraw/zinc/81/31/27/568813127.db2.gz NKYSMMALOMHUIE-UHFFFAOYSA-N 0 0 413.256 5.823 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccccc2)cc1 ZINC000002842072 568812883 /nfs/dbraw/zinc/81/28/83/568812883.db2.gz WITHYCYCRBMDQM-UHFFFAOYSA-N 0 0 422.897 5.788 50 5 HKBARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002842109 568812828 /nfs/dbraw/zinc/81/28/28/568812828.db2.gz KWSWOPOZESYZKC-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN Cc1cc(=O)oc2cc(OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)ccc12 ZINC000002843708 568812938 /nfs/dbraw/zinc/81/29/38/568812938.db2.gz FGLJOSAWYASYBB-UHFFFAOYSA-N 0 0 403.390 5.381 50 5 HKBARN O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)cc1 ZINC000002845685 568812952 /nfs/dbraw/zinc/81/29/52/568812952.db2.gz ZMKKDLOZWPYUPM-UHFFFAOYSA-N 0 0 413.271 5.548 50 5 aggregator HKBARN O=C(Oc1c(Br)c2c(cc1[N+](=O)[O-])CCCC2)c1ccccc1Cl ZINC000002849364 568813134 /nfs/dbraw/zinc/81/31/34/568813134.db2.gz JSMZSTNNYJHKRB-UHFFFAOYSA-N 0 0 410.651 5.109 50 5 HKBARN O=C(Oc1ccc2c(c1Br)CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000002849661 568813125 /nfs/dbraw/zinc/81/31/25/568813125.db2.gz RKLMJOCTCLCTEY-UHFFFAOYSA-N 0 0 410.651 5.109 50 5 HKBARN Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000002851103 568813101 /nfs/dbraw/zinc/81/31/01/568813101.db2.gz DQGGJOATAPGYDH-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN Cc1c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] ZINC000002853193 568813197 /nfs/dbraw/zinc/81/31/97/568813197.db2.gz NFUAZZHAXVHUOG-UHFFFAOYSA-N 0 0 412.898 6.101 50 5 HKBARN O=C(COc1ccccc1[N+](=O)[O-])OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000002857528 568813305 /nfs/dbraw/zinc/81/33/05/568813305.db2.gz JIPDIQBVBHDLLN-UHFFFAOYSA-N 0 0 422.220 5.284 50 5 HKBARN CC[C@@H](C)c1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000002857970 568813278 /nfs/dbraw/zinc/81/32/78/568813278.db2.gz NCVXULLALWVGGH-CQSZACIVSA-N 0 0 411.483 5.249 50 5 HKBARN CC[C@H](C)c1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000002857971 568813295 /nfs/dbraw/zinc/81/32/95/568813295.db2.gz NCVXULLALWVGGH-AWEZNQCLSA-N 0 0 411.483 5.249 50 5 HKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000002858086 568813238 /nfs/dbraw/zinc/81/32/38/568813238.db2.gz TUDKYCKVLBWVKG-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=S)Nc4cccc([N+](=O)[O-])c4)cc3)sc2c1 ZINC000002858333 568813218 /nfs/dbraw/zinc/81/32/18/568813218.db2.gz CCDCQEOBGMOYEI-UHFFFAOYSA-N 0 0 420.519 5.989 50 5 HKBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 ZINC000002858494 568813292 /nfs/dbraw/zinc/81/32/92/568813292.db2.gz LLXHYBGLLLNDSI-UHFFFAOYSA-N 0 0 410.520 5.618 50 5 HKBARN Cc1ccc(C)c([C@H](NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)c1 ZINC000002860393 568813516 /nfs/dbraw/zinc/81/35/16/568813516.db2.gz ZEDKNEZVAMPCQK-HSZRJFAPSA-N 0 0 424.884 5.150 50 5 HKBARN Cc1ccc(C)c([C@@H](NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)c1 ZINC000002860394 568813519 /nfs/dbraw/zinc/81/35/19/568813519.db2.gz ZEDKNEZVAMPCQK-QHCPKHFHSA-N 0 0 424.884 5.150 50 5 HKBARN COc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 ZINC000002861069 568813434 /nfs/dbraw/zinc/81/34/34/568813434.db2.gz YCYDTDNRJOAEDE-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN O=[N+]([O-])c1ccc(-c2csc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000002861377 568813534 /nfs/dbraw/zinc/81/35/34/568813534.db2.gz KYAZRLYXMIPPKY-UHFFFAOYSA-N 0 0 413.911 6.086 50 5 HKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cc(Cl)cc(Cl)c1 ZINC000002861791 568813470 /nfs/dbraw/zinc/81/34/70/568813470.db2.gz ZKWGSNCVYSPUOI-UHFFFAOYSA-N 0 0 414.295 5.242 50 5 HKBARN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000002862933 568813545 /nfs/dbraw/zinc/81/35/45/568813545.db2.gz OUGCNNPKNKCHQQ-UHFFFAOYSA-N 0 0 417.248 5.733 50 5 HKBARN O=c1oc2ccc3ccccc3c2cc1-c1nnc(NCc2ccc(F)cc2)s1 ZINC000002864123 557411446 /nfs/dbraw/zinc/41/14/46/557411446.db2.gz MESBQHXPPWHACW-UHFFFAOYSA-N 0 0 403.438 5.216 50 5 HKBARN COc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 ZINC000002865927 568813526 /nfs/dbraw/zinc/81/35/26/568813526.db2.gz LNGOATLQUNAYLV-UHFFFAOYSA-N 0 0 423.812 5.317 50 5 HKBARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000002867430 557412724 /nfs/dbraw/zinc/41/27/24/557412724.db2.gz JCTJRNKKCPTECK-UHFFFAOYSA-N 0 0 407.425 5.991 50 5 HKBARN Cc1c(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)cccc1[N+](=O)[O-] ZINC000002868112 568813750 /nfs/dbraw/zinc/81/37/50/568813750.db2.gz VMPISEFHYXTICZ-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN CC(=O)Nc1ccc(C(=O)OCc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000002868198 568813696 /nfs/dbraw/zinc/81/36/96/568813696.db2.gz BCBAPPFLCWHHLJ-UHFFFAOYSA-N 0 0 422.462 5.061 50 5 HKBARN CC(=O)Nc1ccccc1C(=O)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002868673 568813773 /nfs/dbraw/zinc/81/37/73/568813773.db2.gz BFWNWVXOIKTNBR-UHFFFAOYSA-N 0 0 422.462 5.061 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1[N+](=O)[O-] ZINC000002869662 568813686 /nfs/dbraw/zinc/81/36/86/568813686.db2.gz KZMOKYRYXBLEQO-UHFFFAOYSA-N 0 0 405.435 5.138 50 5 HKBARN CC(C)c1ccc(N[C@H](c2ccc([N+](=O)[O-])cc2)[P@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000002870291 568813723 /nfs/dbraw/zinc/81/37/23/568813723.db2.gz MEKXWLZWKDKYAF-ANCNGPLESA-N 0 0 404.403 5.847 50 5 HKBARN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002870644 568813745 /nfs/dbraw/zinc/81/37/45/568813745.db2.gz UXCGFYNPKWNOIK-UHFFFAOYSA-N 0 0 415.243 5.486 50 5 HKBARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002871577 568813754 /nfs/dbraw/zinc/81/37/54/568813754.db2.gz UJILGXAJJFRHEZ-UHFFFAOYSA-N 0 0 411.845 5.361 50 5 HKBARN O=C(Nc1nnc(C2CCCCC2)s1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000002872549 568813801 /nfs/dbraw/zinc/81/38/01/568813801.db2.gz UYUWHQCSXDOJFA-UHFFFAOYSA-N 0 0 422.919 5.614 50 5 HKBARN CCCCc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)cc1 ZINC000002872834 568814015 /nfs/dbraw/zinc/81/40/15/568814015.db2.gz JWYGHBCVVYRDMV-UHFFFAOYSA-N 0 0 423.494 5.017 50 5 HKBARN COc1cc(C(=O)Nc2ccccc2Sc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000002873145 568813893 /nfs/dbraw/zinc/81/38/93/568813893.db2.gz UXDCFFRDMKQRNA-UHFFFAOYSA-N 0 0 410.451 5.016 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000002873601 568813867 /nfs/dbraw/zinc/81/38/67/568813867.db2.gz QMEYKEIBUCIDFE-UHFFFAOYSA-N 0 0 408.479 5.456 50 5 HKBARN CC(C)(Oc1ccccc1Cl)C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002876187 568814018 /nfs/dbraw/zinc/81/40/18/568814018.db2.gz DYWDKKWXRSDAIA-UHFFFAOYSA-N 0 0 410.857 5.711 50 5 HKBARN Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000002878312 568813916 /nfs/dbraw/zinc/81/39/16/568813916.db2.gz FBKSAOVRFLIOTH-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN CCOc1ccccc1NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000002880967 568814112 /nfs/dbraw/zinc/81/41/12/568814112.db2.gz BMIYRXMBMGPDNC-UHFFFAOYSA-N 0 0 412.829 5.692 50 5 HKBARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000002881041 568814122 /nfs/dbraw/zinc/81/41/22/568814122.db2.gz IYBFPBRDOAHRKP-INIZCTEOSA-N 0 0 408.479 5.460 50 5 HKBARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000002881042 568814246 /nfs/dbraw/zinc/81/42/46/568814246.db2.gz IYBFPBRDOAHRKP-MRXNPFEDSA-N 0 0 408.479 5.460 50 5 HKBARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000002881859 568814253 /nfs/dbraw/zinc/81/42/53/568814253.db2.gz PZXFLKYCCJHCDA-UHFFFAOYSA-N 0 0 407.426 5.236 50 5 HKBARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000002884446 568814221 /nfs/dbraw/zinc/81/42/21/568814221.db2.gz JLOHEFDIGQZRDI-UHFFFAOYSA-N 0 0 419.462 5.197 50 5 HKBARN O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000002884476 568814184 /nfs/dbraw/zinc/81/41/84/568814184.db2.gz DPVMQCMSQXTGKL-UHFFFAOYSA-N 0 0 421.634 5.523 50 5 HKBARN Cc1ccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1[N+](=O)[O-] ZINC000002884890 568814447 /nfs/dbraw/zinc/81/44/47/568814447.db2.gz DKRFZGVBHNEALD-UHFFFAOYSA-N 0 0 418.272 5.042 50 5 HKBARN Cc1cc2sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Cl ZINC000002884947 568814477 /nfs/dbraw/zinc/81/44/77/568814477.db2.gz JNCPHHIXBLNGHQ-UHFFFAOYSA-N 0 0 413.842 5.679 50 5 HKBARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000002886056 568814332 /nfs/dbraw/zinc/81/43/32/568814332.db2.gz SNWVJHPKYSTKBD-UHFFFAOYSA-N 0 0 410.735 5.779 50 5 HKBARN O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002886506 568814443 /nfs/dbraw/zinc/81/44/43/568814443.db2.gz BTTXLFIFBRDJDY-UHFFFAOYSA-N 0 0 421.634 5.523 50 5 HKBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Nc1ccc(Cl)c(Cl)c1 ZINC000002887894 568814462 /nfs/dbraw/zinc/81/44/62/568814462.db2.gz PSLCYLSDXNIJOW-UHFFFAOYSA-N 0 0 409.254 5.669 50 5 HKBARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000002890936 568815002 /nfs/dbraw/zinc/81/50/02/568815002.db2.gz VXMPNWGNFBNLOI-UHFFFAOYSA-N 0 0 409.492 5.483 50 5 HKBARN CCc1cc2c(cc1OCc1ccc([N+](=O)[O-])cc1)oc(=O)cc2-c1ccccc1 ZINC000002898869 568814997 /nfs/dbraw/zinc/81/49/97/568814997.db2.gz GZLOBFCFDRMJNK-UHFFFAOYSA-N 0 0 401.418 5.510 50 5 HKBARN Brc1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c32)cc1 ZINC000002899162 557424546 /nfs/dbraw/zinc/42/45/46/557424546.db2.gz SCWZDDORZLGVIA-UHFFFAOYSA-N 0 0 411.302 6.880 50 5 HKBARN Brc1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c32)cc1 ZINC000002902636 557424911 /nfs/dbraw/zinc/42/49/11/557424911.db2.gz ZDKMDUYIDDSMTK-UHFFFAOYSA-N 0 0 411.302 6.880 50 5 HKBARN CCCOc1ccc(-c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)cc2)cc1 ZINC000002904266 568815294 /nfs/dbraw/zinc/81/52/94/568815294.db2.gz YWVQEQSUVKHVKL-UHFFFAOYSA-N 0 0 401.422 5.768 50 5 HKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000002908137 568815304 /nfs/dbraw/zinc/81/53/04/568815304.db2.gz DEEZBMSJWHVFIM-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN O=[N+]([O-])c1cccc(Nc2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)c1 ZINC000002910515 568815934 /nfs/dbraw/zinc/81/59/34/568815934.db2.gz SWRULTBGLBKBJM-UHFFFAOYSA-N 0 0 416.506 5.813 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nnc(SCc3ccccc3)n2Cc2ccccc2)c1 ZINC000002911295 568815884 /nfs/dbraw/zinc/81/58/84/568815884.db2.gz DLCQAGYGOXVLBF-UHFFFAOYSA-N 0 0 402.479 5.194 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nnc(SCc3ccccc3F)n2-c2ccccc2)c1 ZINC000002911311 568815936 /nfs/dbraw/zinc/81/59/36/568815936.db2.gz OCVRRVWXSVNBOT-UHFFFAOYSA-N 0 0 406.442 5.274 50 5 HKBARN O=[N+]([O-])c1ccc(-c2ccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1 ZINC000002911681 568815710 /nfs/dbraw/zinc/81/57/10/568815710.db2.gz NGINIFIYZMEUBR-UHFFFAOYSA-N 0 0 417.468 6.986 50 5 HKBARN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1F ZINC000002915590 568815733 /nfs/dbraw/zinc/81/57/33/568815733.db2.gz FKLHESAKJXXNCT-UHFFFAOYSA-N 0 0 419.437 5.777 50 5 HKBARN Cc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000002916303 568815579 /nfs/dbraw/zinc/81/55/79/568815579.db2.gz QYGROXDPEZHNLZ-UHFFFAOYSA-N 0 0 419.462 5.847 50 5 HKBARN COc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002916896 568815735 /nfs/dbraw/zinc/81/57/35/568815735.db2.gz WLNMJEIWGAPWOA-UHFFFAOYSA-N 0 0 421.434 5.239 50 5 HKBARN COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCCCC2 ZINC000002922380 568816814 /nfs/dbraw/zinc/81/68/14/568816814.db2.gz WEPAZARUPDGEFL-UHFFFAOYSA-N 0 0 422.890 5.008 50 5 HKBARN O=c1c2sccc2nc(SCc2cccc([N+](=O)[O-])c2)n1C1CCCCC1 ZINC000002925132 568817328 /nfs/dbraw/zinc/81/73/28/568817328.db2.gz BBVMYVAWPFJANX-UHFFFAOYSA-N 0 0 401.513 5.164 50 5 HKBARN O=c1c2sccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1C1CCCCC1 ZINC000002925146 568817439 /nfs/dbraw/zinc/81/74/39/568817439.db2.gz DDZHMHHIBADHCP-UHFFFAOYSA-N 0 0 401.513 5.164 50 5 HKBARN Cc1ccc(-n2c(=O)c3sccc3nc2SCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000002925233 568817465 /nfs/dbraw/zinc/81/74/65/568817465.db2.gz LBFLTSQJKQKPFO-UHFFFAOYSA-N 0 0 423.519 5.265 50 5 HKBARN O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1 ZINC000002926522 568816738 /nfs/dbraw/zinc/81/67/38/568816738.db2.gz FOAZVBGVOPHTEE-UHFFFAOYSA-N 0 0 405.251 6.240 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nc3ccccc3c(NCc3ccccc3)n2)c1 ZINC000002932984 568818435 /nfs/dbraw/zinc/81/84/35/568818435.db2.gz CEWKPLDDKUVGRT-UHFFFAOYSA-N 0 0 402.479 5.442 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nc3ccccc3c(NCc3ccccc3)n2)cc1 ZINC000002932985 568818527 /nfs/dbraw/zinc/81/85/27/568818527.db2.gz SKFCPZSIHVCYEO-UHFFFAOYSA-N 0 0 402.479 5.442 50 5 HKBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(-c2nc3ccccc3o2)cc1 ZINC000002934117 557427993 /nfs/dbraw/zinc/42/79/93/557427993.db2.gz LEMJSUQREUEDMK-UHFFFAOYSA-N 0 0 416.436 5.312 50 5 HKBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc(-c2nc3ccccc3o2)c1 ZINC000002935131 557428291 /nfs/dbraw/zinc/42/82/91/557428291.db2.gz XHNRYGFWWNJSGS-UHFFFAOYSA-N 0 0 416.436 5.312 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000002936888 568818302 /nfs/dbraw/zinc/81/83/02/568818302.db2.gz IMTPEMRIJBPFMP-DHZHZOJOSA-N 0 0 417.446 5.229 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nc3ccccc3c(NCCc3ccccc3)n2)c1 ZINC000002941483 568819342 /nfs/dbraw/zinc/81/93/42/568819342.db2.gz ROKLYIPVLOLKEX-UHFFFAOYSA-N 0 0 416.506 5.485 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nc3ccccc3c(NCCc3ccccc3)n2)cc1 ZINC000002941485 568819402 /nfs/dbraw/zinc/81/94/02/568819402.db2.gz LOONPUAINYYLQK-UHFFFAOYSA-N 0 0 416.506 5.485 50 5 HKBARN Cc1c(Cl)cccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000002944691 568819773 /nfs/dbraw/zinc/81/97/73/568819773.db2.gz QXEHOMLJHNIACA-UHFFFAOYSA-N 0 0 408.797 5.150 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nc3ccccc3c(Nc3ccc(F)cc3)n2)c1 ZINC000002948833 568820491 /nfs/dbraw/zinc/82/04/91/568820491.db2.gz XEHIONDMYBULNJ-UHFFFAOYSA-N 0 0 406.442 5.713 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nc3ccccc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000002948853 568820526 /nfs/dbraw/zinc/82/05/26/568820526.db2.gz RFILHLJFAGDWIZ-UHFFFAOYSA-N 0 0 406.442 5.713 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nc3ccccc3c(Nc3ccc(F)c(F)c3)n2)c1 ZINC000002949013 568820515 /nfs/dbraw/zinc/82/05/15/568820515.db2.gz XDIWMMIEIFASJD-UHFFFAOYSA-N 0 0 424.432 5.852 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nc3ccccc3c(Nc3ccc(F)c(F)c3)n2)cc1 ZINC000002949015 568820523 /nfs/dbraw/zinc/82/05/23/568820523.db2.gz XZLDNFRUMWGATM-UHFFFAOYSA-N 0 0 424.432 5.852 50 5 HKBARN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1-c1nc2ccccc2s1 ZINC000002949518 568819123 /nfs/dbraw/zinc/81/91/23/568819123.db2.gz WGXCFWABTIMLSH-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN Clc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(Cl)cc2)cc1 ZINC000002950825 568828918 /nfs/dbraw/zinc/82/89/18/568828918.db2.gz JIHIZDQRAOYRGZ-UHFFFAOYSA-N 0 0 401.296 7.424 50 5 HKBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCCC2 ZINC000002950860 568828959 /nfs/dbraw/zinc/82/89/59/568828959.db2.gz KDAUMKDHYFGTHH-UHFFFAOYSA-N 0 0 422.890 5.008 50 5 HKBARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002950865 568828974 /nfs/dbraw/zinc/82/89/74/568828974.db2.gz AOMXOOTUOLUBQM-UHFFFAOYSA-N 0 0 412.673 5.538 50 5 HKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2c(ccc3ccccc32)oc1=O ZINC000002951594 568829229 /nfs/dbraw/zinc/82/92/29/568829229.db2.gz ILTDACRCVGOHAT-UHFFFAOYSA-N 0 0 417.770 5.871 50 5 HKBARN Cc1ccc(F)cc1Nc1nnc(-c2cc3c(ccc4ccccc43)oc2=O)s1 ZINC000002956090 557430940 /nfs/dbraw/zinc/43/09/40/557430940.db2.gz ALYZOXCCPXJEFS-UHFFFAOYSA-N 0 0 403.438 5.656 50 5 HKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(NCc2ccc(F)cc2)n1 ZINC000002956215 568829875 /nfs/dbraw/zinc/82/98/75/568829875.db2.gz FYGJNTDJFPNDNU-UHFFFAOYSA-N 0 0 402.450 5.821 50 5 HKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccccc2Cl)n1 ZINC000002956217 568829793 /nfs/dbraw/zinc/82/97/93/568829793.db2.gz FHXSJMMWLKOUKS-UHFFFAOYSA-N 0 0 404.878 6.467 50 5 HKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccc(F)cc2F)n1 ZINC000002956219 568829783 /nfs/dbraw/zinc/82/97/83/568829783.db2.gz HGXYKCBLSDEAEK-UHFFFAOYSA-N 0 0 406.413 6.092 50 5 HKBARN CC(=O)c1cccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 ZINC000002956221 568829913 /nfs/dbraw/zinc/82/99/13/568829913.db2.gz RJJIQLCBPLBKGM-UHFFFAOYSA-N 0 0 412.470 6.016 50 5 HKBARN CC(=O)c1ccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 ZINC000002956223 568829883 /nfs/dbraw/zinc/82/98/83/568829883.db2.gz GMBMEQJLFQGKGX-UHFFFAOYSA-N 0 0 412.470 6.016 50 5 HKBARN COc1cccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 ZINC000002956259 568829790 /nfs/dbraw/zinc/82/97/90/568829790.db2.gz ZEMHQLGFMNUBBB-UHFFFAOYSA-N 0 0 400.459 5.822 50 5 HKBARN O=C(NCCC1=CCCCC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002959545 568830090 /nfs/dbraw/zinc/83/00/90/568830090.db2.gz BSXOYKFLLJQPPR-UHFFFAOYSA-N 0 0 402.523 5.319 50 5 HKBARN CCCC[C@@H](CC)CNC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002959581 568830088 /nfs/dbraw/zinc/83/00/88/568830088.db2.gz FCSMDZSIDKZUKR-OAHLLOKOSA-N 0 0 406.555 5.644 50 5 HKBARN CCCC[C@H](CC)CNC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002959582 568830012 /nfs/dbraw/zinc/83/00/12/568830012.db2.gz FCSMDZSIDKZUKR-HNNXBMFYSA-N 0 0 406.555 5.644 50 5 HKBARN CCc1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n32)cc1 ZINC000002959619 568829928 /nfs/dbraw/zinc/82/99/28/568829928.db2.gz MHVDCCAKYWUDTA-UHFFFAOYSA-N 0 0 412.518 5.329 50 5 HKBARN COc1ccc(/C=C/c2cc(-c3ccc(OC)cc3)nc3ccc4ccccc4c23)cc1 ZINC000002963161 557431569 /nfs/dbraw/zinc/43/15/69/557431569.db2.gz JZMYWOVASWYEJK-JXMROGBWSA-N 0 0 417.508 7.243 50 5 HKBARN CN(C)c1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1 ZINC000002963201 557431897 /nfs/dbraw/zinc/43/18/97/557431897.db2.gz UYTUOSVPMTYVRA-UHFFFAOYSA-N 0 0 400.481 6.332 50 5 HKBARN CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(CC)cc1 ZINC000002964198 568830477 /nfs/dbraw/zinc/83/04/77/568830477.db2.gz BFXCBGUESATBJO-UHFFFAOYSA-N 0 0 406.463 5.617 50 5 HKBARN CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(Cl)cc1 ZINC000002964215 568830426 /nfs/dbraw/zinc/83/04/26/568830426.db2.gz QSUZCUAHLCPQCY-UHFFFAOYSA-N 0 0 412.854 5.708 50 5 HKBARN CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1cc(C)ccc1C ZINC000002964222 568830399 /nfs/dbraw/zinc/83/03/99/568830399.db2.gz PBOKETKVERSPSK-UHFFFAOYSA-N 0 0 406.463 5.671 50 5 HKBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000002967577 557432148 /nfs/dbraw/zinc/43/21/48/557432148.db2.gz FVDOPJKMGMZDSU-UHFFFAOYSA-N 0 0 406.437 5.875 50 5 HKBARN O=c1oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c2c1CCCC2 ZINC000002967949 568830389 /nfs/dbraw/zinc/83/03/89/568830389.db2.gz OUWDCLZGWFYYQH-UHFFFAOYSA-N 0 0 405.328 5.391 50 5 HKBARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)[C@H]1C ZINC000002970367 568831766 /nfs/dbraw/zinc/83/17/66/568831766.db2.gz QRUHLLDNFCFIAA-JKIFEVAISA-N 0 0 404.539 5.253 50 5 HKBARN O=C(NCc1ccc(Cl)cc1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002970445 568831776 /nfs/dbraw/zinc/83/17/76/568831776.db2.gz YJFODZHAMKWMCN-UHFFFAOYSA-N 0 0 418.909 5.282 50 5 HKBARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000002970602 568831761 /nfs/dbraw/zinc/83/17/61/568831761.db2.gz AIBYMCZQXWJNGV-UHFFFAOYSA-N 0 0 413.502 5.539 50 5 HKBARN O=[N+]([O-])c1ccc2[nH]c(CSc3nc4ccccc4n3-c3ccccc3)nc2c1 ZINC000002970893 568831597 /nfs/dbraw/zinc/83/15/97/568831597.db2.gz OHWRNIULPIKYMQ-UHFFFAOYSA-N 0 0 401.451 5.102 50 5 HKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002971625 568831542 /nfs/dbraw/zinc/83/15/42/568831542.db2.gz FMVHZYIRLAYQLU-ZRDIBKRKSA-N 0 0 415.474 5.832 50 5 HKBARN Cc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1 ZINC000002972779 568831601 /nfs/dbraw/zinc/83/16/01/568831601.db2.gz BAFIKJRZBVYBHT-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)s2)cc1 ZINC000002972798 568831609 /nfs/dbraw/zinc/83/16/09/568831609.db2.gz FXEHSMXPLZBTBV-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000002974145 568831578 /nfs/dbraw/zinc/83/15/78/568831578.db2.gz IATQVNWMRRHXKB-UHFFFAOYSA-N 0 0 408.410 5.064 50 5 HKBARN Cc1cc(OCc2c(F)c(F)c(F)c(F)c2F)cc2oc(=O)c3ccccc3c12 ZINC000002976571 557433361 /nfs/dbraw/zinc/43/33/61/557433361.db2.gz RSSVARSMJDLTSH-UHFFFAOYSA-N 0 0 406.306 5.529 50 5 HKBARN Cc1c(OCc2c(F)c(F)c(F)c(F)c2F)ccc2c3ccccc3c(=O)oc12 ZINC000002976839 557433486 /nfs/dbraw/zinc/43/34/86/557433486.db2.gz USQWCXQCHJTMGO-UHFFFAOYSA-N 0 0 406.306 5.529 50 5 HKBARN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)oc2c1 ZINC000002978387 568831577 /nfs/dbraw/zinc/83/15/77/568831577.db2.gz QMUUUJRZWIENRY-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000002978397 568831567 /nfs/dbraw/zinc/83/15/67/568831567.db2.gz VOMKOFIXEXSIDX-UHFFFAOYSA-N 0 0 408.266 5.586 50 5 HKBARN Cc1c(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000002978762 568831559 /nfs/dbraw/zinc/83/15/59/568831559.db2.gz GSAZZBQNCGJAQE-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 ZINC000002978886 568831585 /nfs/dbraw/zinc/83/15/85/568831585.db2.gz SWXRLALDWABWDE-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1c(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cccc1[N+](=O)[O-] ZINC000002979188 568831796 /nfs/dbraw/zinc/83/17/96/568831796.db2.gz UTRBPPZEMZJLLJ-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccccc1 ZINC000002979451 568831772 /nfs/dbraw/zinc/83/17/72/568831772.db2.gz CXERDLKLHFNXBF-UHFFFAOYSA-N 0 0 410.451 5.061 50 5 HKBARN O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002979624 568831773 /nfs/dbraw/zinc/83/17/73/568831773.db2.gz AYVDRTRYVHQNFF-UHFFFAOYSA-N 0 0 401.447 5.638 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4[N+](=O)[O-])cc3)sc2c1 ZINC000002979782 568831747 /nfs/dbraw/zinc/83/17/47/568831747.db2.gz WAZWDAJYCMWJJR-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000002979884 568831783 /nfs/dbraw/zinc/83/17/83/568831783.db2.gz NEUMFPABWJZFMI-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)oc2c(C)c1 ZINC000002979952 568831771 /nfs/dbraw/zinc/83/17/71/568831771.db2.gz GKLVJWKELZBYHT-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN O=C(Nc1ccccc1-c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002981395 568832965 /nfs/dbraw/zinc/83/29/65/568832965.db2.gz LTLPYTQBSSIREY-UHFFFAOYSA-N 0 0 410.429 6.306 50 5 HKBARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002981895 568832929 /nfs/dbraw/zinc/83/29/29/568832929.db2.gz ZSQDIDLIWZYGEB-UHFFFAOYSA-N 0 0 403.221 5.946 50 5 HKBARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002981896 568832925 /nfs/dbraw/zinc/83/29/25/568832925.db2.gz KCBHYIYMMOFBLY-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3C)oc2c(C)c1 ZINC000002981920 568832987 /nfs/dbraw/zinc/83/29/87/568832987.db2.gz JXJBJXMZKVTDDD-UHFFFAOYSA-N 0 0 415.449 5.889 50 5 HKBARN Cc1c(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cccc1[N+](=O)[O-] ZINC000002981944 568832927 /nfs/dbraw/zinc/83/29/27/568832927.db2.gz MNKOGCWFYLKFGE-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccccc1 ZINC000002982076 568833004 /nfs/dbraw/zinc/83/30/04/568833004.db2.gz FBJCBJFVOGAVGR-UHFFFAOYSA-N 0 0 410.451 5.061 50 5 HKBARN Cc1cc(=O)oc2cc(OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)ccc12 ZINC000002982381 568832958 /nfs/dbraw/zinc/83/29/58/568832958.db2.gz POJRIUQHDRXCMU-UHFFFAOYSA-N 0 0 415.810 5.097 50 5 HKBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1Cl ZINC000002982430 568833005 /nfs/dbraw/zinc/83/30/05/568833005.db2.gz FUBZIQJURPEMDR-UHFFFAOYSA-N 0 0 408.266 5.586 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)oc2cc1C ZINC000002982490 568832923 /nfs/dbraw/zinc/83/29/23/568832923.db2.gz XWODNWNFEDQCPC-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000002982687 568832971 /nfs/dbraw/zinc/83/29/71/568832971.db2.gz VTIKFHCXPVGPAP-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN CCCCc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC)c(Cl)cc12 ZINC000002984394 568833126 /nfs/dbraw/zinc/83/31/26/568833126.db2.gz IGPJSLDZSTZPIV-UHFFFAOYSA-N 0 0 417.845 5.285 50 5 HKBARN Cc1cc(CSc2ccccc2)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002984466 568833088 /nfs/dbraw/zinc/83/30/88/568833088.db2.gz LETQWUKWVZAIPA-ACCUITESSA-N 0 0 404.491 5.847 50 5 HKBARN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002984753 568833172 /nfs/dbraw/zinc/83/31/72/568833172.db2.gz TVHRHNORTBXMKZ-UHFFFAOYSA-N 0 0 419.717 5.218 50 5 HKBARN O=C1S/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000002986283 568833078 /nfs/dbraw/zinc/83/30/78/568833078.db2.gz KAUAJBNHFHHKBD-KGENOOAVSA-N 0 0 416.458 5.498 50 5 HKBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000002986633 132261306 /nfs/dbraw/zinc/26/13/06/132261306.db2.gz HPCAKNWPRZQOLG-WEVVVXLNSA-N 0 0 420.296 5.544 50 5 HKBARN O=C(Oc1ccc(F)cc1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000002987813 568833134 /nfs/dbraw/zinc/83/31/34/568833134.db2.gz BYNQSQPLUNRRSN-UHFFFAOYSA-N 0 0 421.302 5.764 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C/CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000002990594 568835942 /nfs/dbraw/zinc/83/59/42/568835942.db2.gz UVVMDHNBXWEUQX-AATRIKPKSA-N 0 0 404.451 5.241 50 5 HKBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002990707 568835934 /nfs/dbraw/zinc/83/59/34/568835934.db2.gz GKRGDKLRINFONR-DUXPYHPUSA-N 0 0 406.052 5.860 50 5 HKBARN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002991515 568836517 /nfs/dbraw/zinc/83/65/17/568836517.db2.gz FIJHAHPPJZAHHK-UHFFFAOYSA-N 0 0 419.717 5.218 50 5 HKBARN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002991852 568835986 /nfs/dbraw/zinc/83/59/86/568835986.db2.gz ZHFFAGMHGHXGMD-UHFFFAOYSA-N 0 0 412.898 6.101 50 5 aggregator HKBARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000002993025 568835948 /nfs/dbraw/zinc/83/59/48/568835948.db2.gz CVCHUMFJYQXBTJ-UHFFFAOYSA-N 0 0 413.227 5.402 50 5 HKBARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002993177 568836003 /nfs/dbraw/zinc/83/60/03/568836003.db2.gz KIHRRIWZFZZCJZ-UHFFFAOYSA-N 0 0 413.227 5.402 50 5 HKBARN CCCCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 ZINC000002994542 568836126 /nfs/dbraw/zinc/83/61/26/568836126.db2.gz QAPXBGUDRFFZRC-UHFFFAOYSA-N 0 0 407.344 5.855 50 5 HKBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000002995056 568836163 /nfs/dbraw/zinc/83/61/63/568836163.db2.gz WMRFOOCZSISZON-YRNVUSSQSA-N 0 0 419.824 5.708 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nnc(SCc3ccccc3F)n2Cc2ccccc2)c1 ZINC000002995199 568836175 /nfs/dbraw/zinc/83/61/75/568836175.db2.gz JYZPFWWOERQSFJ-UHFFFAOYSA-N 0 0 420.469 5.333 50 5 HKBARN CCCc1cc(=O)oc2c(C)c(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 ZINC000002995326 568836090 /nfs/dbraw/zinc/83/60/90/568836090.db2.gz GJJUBKKRYPRHQD-UHFFFAOYSA-N 0 0 407.344 5.773 50 5 HKBARN Cc1c(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002995472 568836103 /nfs/dbraw/zinc/83/61/03/568836103.db2.gz FPFTVDHRKSGQOQ-UHFFFAOYSA-N 0 0 419.355 5.700 50 5 HKBARN CCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)c(Cl)cc12 ZINC000002996504 568836105 /nfs/dbraw/zinc/83/61/05/568836105.db2.gz GLPAQWAXMKHHDG-UHFFFAOYSA-N 0 0 413.735 5.728 50 5 HKBARN COc1ccc(OC)c(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)c1 ZINC000002997998 568836118 /nfs/dbraw/zinc/83/61/18/568836118.db2.gz KRDUHJVCPUKUTE-UHFFFAOYSA-N 0 0 401.422 5.336 50 5 HKBARN O=C(Nc1ccc(F)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000002998229 568836182 /nfs/dbraw/zinc/83/61/82/568836182.db2.gz SANCOHRBMGNBDS-UHFFFAOYSA-N 0 0 420.318 5.797 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000002999004 568836230 /nfs/dbraw/zinc/83/62/30/568836230.db2.gz IUGFHJIWTZULMB-UHFFFAOYSA-N 0 0 424.840 5.130 50 5 HKBARN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000002999147 568836313 /nfs/dbraw/zinc/83/63/13/568836313.db2.gz VXPVBKUYLRMDOJ-LFYBBSHMSA-N 0 0 415.405 5.064 50 5 HKBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 ZINC000002999309 568836226 /nfs/dbraw/zinc/83/62/26/568836226.db2.gz ZZLULJGGDOUCKG-UHFFFAOYSA-N 0 0 424.444 6.291 50 5 HKBARN O=[N+]([O-])c1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000003000170 568836331 /nfs/dbraw/zinc/83/63/31/568836331.db2.gz KKGPYFDFKDQXEQ-UHFFFAOYSA-N 0 0 422.897 5.788 50 5 HKBARN Cn1c(SCc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)nnc1-c1ccccc1 ZINC000003000254 568836253 /nfs/dbraw/zinc/83/62/53/568836253.db2.gz VCSAQBZOOWGNHM-UHFFFAOYSA-N 0 0 402.479 5.350 50 5 HKBARN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1-c1nc2ccccc2s1 ZINC000003002371 568836938 /nfs/dbraw/zinc/83/69/38/568836938.db2.gz ONSVOIPHFFBICV-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1[N+](=O)[O-] ZINC000003002552 568836856 /nfs/dbraw/zinc/83/68/56/568836856.db2.gz MQOUPCFNSCLGTQ-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN Cc1ccccc1N[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)cccc21 ZINC000003013201 132261557 /nfs/dbraw/zinc/26/15/57/132261557.db2.gz RPGCCIKJJHQPRZ-WZONZLPQSA-N 0 0 415.493 5.804 50 5 HKBARN Cc1ccccc1N[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)cccc21 ZINC000003013203 132261521 /nfs/dbraw/zinc/26/15/21/132261521.db2.gz RPGCCIKJJHQPRZ-MBSDFSHPSA-N 0 0 415.493 5.804 50 5 HKBARN Cc1ccccc1N[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)cccc21 ZINC000003013204 132261448 /nfs/dbraw/zinc/26/14/48/132261448.db2.gz RPGCCIKJJHQPRZ-FDDCHVKYSA-N 0 0 415.493 5.804 50 5 HKBARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003013217 534936201 /nfs/dbraw/zinc/93/62/01/534936201.db2.gz UPDBKEYTWDVHDP-AREMUKBSSA-N 0 0 414.505 5.772 50 5 HKBARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003013219 132261517 /nfs/dbraw/zinc/26/15/17/132261517.db2.gz UPDBKEYTWDVHDP-SANMLTNESA-N 0 0 414.505 5.772 50 5 HKBARN O=C(c1ccc(SCc2ccccc2F)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000003015213 568838448 /nfs/dbraw/zinc/83/84/48/568838448.db2.gz PMKZEDHOFSVEOY-UHFFFAOYSA-N 0 0 408.454 5.229 50 5 HKBARN Cc1cccc(C)c1NC(=O)c1cc2c(nc1C(F)(F)F)oc1ccccc1c2=O ZINC000003015969 568838495 /nfs/dbraw/zinc/83/84/95/568838495.db2.gz AKYFWQRPQHSFEL-UHFFFAOYSA-N 0 0 412.367 5.229 50 5 HKBARN Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003016366 568838661 /nfs/dbraw/zinc/83/86/61/568838661.db2.gz SFXUQZCSNVUFBW-UHFFFAOYSA-N 0 0 416.330 5.060 50 5 HKBARN O=C(c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000003017384 568838731 /nfs/dbraw/zinc/83/87/31/568838731.db2.gz HYKDVVWKIFAOEM-UHFFFAOYSA-N 0 0 408.454 5.084 50 5 HKBARN O=c1oc2ccc([N+](=O)[O-])cc2c(Sc2ccccc2)c1Sc1ccccc1 ZINC000003018406 568838061 /nfs/dbraw/zinc/83/80/61/568838061.db2.gz YHPMHPSBQNIGEN-UHFFFAOYSA-N 0 0 407.472 6.004 50 5 HKBARN COc1cccc(-n2c(=S)sc3c4nc5ccccc5n4c(SC)nc32)c1 ZINC000003018896 568838866 /nfs/dbraw/zinc/83/88/66/568838866.db2.gz SDQXAHCQOUIOQC-UHFFFAOYSA-N 0 0 410.549 5.348 50 5 HKBARN O=C(Oc1ccc2ccccc2c1)c1ccc(SC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000003020018 568838948 /nfs/dbraw/zinc/83/89/48/568838948.db2.gz VYUOGSWLOVQNHQ-LJQANCHMSA-N 0 0 409.463 5.238 50 5 HKBARN O=C(Oc1ccc2ccccc2c1)c1ccc(SC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000003020020 568838959 /nfs/dbraw/zinc/83/89/59/568838959.db2.gz VYUOGSWLOVQNHQ-IBGZPJMESA-N 0 0 409.463 5.238 50 5 HKBARN O=C(NCCc1ccccc1)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020040 568838935 /nfs/dbraw/zinc/83/89/35/568838935.db2.gz WYBQYNINWMGUKK-UHFFFAOYSA-N 0 0 412.898 5.372 50 5 HKBARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Sc3cccc(Cl)c3)c([N+](=O)[O-])c2)C1 ZINC000003020087 568838904 /nfs/dbraw/zinc/83/89/04/568838904.db2.gz KATHCPQCMLBCOY-OKILXGFUSA-N 0 0 404.919 5.518 50 5 HKBARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Sc3cccc(Cl)c3)c([N+](=O)[O-])c2)C1 ZINC000003020088 568838871 /nfs/dbraw/zinc/83/88/71/568838871.db2.gz KATHCPQCMLBCOY-ZIAGYGMSSA-N 0 0 404.919 5.518 50 5 HKBARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Sc3cccc(Cl)c3)c([N+](=O)[O-])c2)C1 ZINC000003020090 568838925 /nfs/dbraw/zinc/83/89/25/568838925.db2.gz KATHCPQCMLBCOY-KBPBESRZSA-N 0 0 404.919 5.518 50 5 HKBARN O=C(NCc1cccs1)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020093 568838897 /nfs/dbraw/zinc/83/88/97/568838897.db2.gz CTKVVMNPJFOVMX-UHFFFAOYSA-N 0 0 404.900 5.391 50 5 HKBARN O=C(NCc1cccs1)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003020117 568838880 /nfs/dbraw/zinc/83/88/80/568838880.db2.gz PJUHWHYVPLTQJW-UHFFFAOYSA-N 0 0 404.900 5.391 50 5 HKBARN O=C(c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000003020121 568838885 /nfs/dbraw/zinc/83/88/85/568838885.db2.gz WPAZNWHGSFUHMX-UHFFFAOYSA-N 0 0 424.909 5.598 50 5 HKBARN CC[C@H]1CCCCN1C(=O)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020127 568838905 /nfs/dbraw/zinc/83/89/05/568838905.db2.gz HQRJNTXAIQAVMV-INIZCTEOSA-N 0 0 404.919 5.804 50 5 HKBARN CC[C@@H]1CCCCN1C(=O)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020129 568838946 /nfs/dbraw/zinc/83/89/46/568838946.db2.gz HQRJNTXAIQAVMV-MRXNPFEDSA-N 0 0 404.919 5.804 50 5 HKBARN O=C(NCCc1ccccc1)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003020190 568838862 /nfs/dbraw/zinc/83/88/62/568838862.db2.gz KPFGNGJZDSRMGC-UHFFFAOYSA-N 0 0 412.898 5.372 50 5 HKBARN CCCCNC(=O)c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000003020202 568838865 /nfs/dbraw/zinc/83/88/65/568838865.db2.gz SJNZRNURYCOKEB-UHFFFAOYSA-N 0 0 409.305 5.038 50 5 HKBARN CCCCCNC(=O)c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000003021389 568840375 /nfs/dbraw/zinc/84/03/75/568840375.db2.gz BOSNLHOCWAYLRD-UHFFFAOYSA-N 0 0 423.332 5.429 50 5 HKBARN O=C(NC1CCCC1)c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000003021413 568840377 /nfs/dbraw/zinc/84/03/77/568840377.db2.gz HTQLUXFBUGCFGM-UHFFFAOYSA-N 0 0 421.316 5.181 50 5 HKBARN CC[C@@H](C)NC(=O)c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000003021419 568840373 /nfs/dbraw/zinc/84/03/73/568840373.db2.gz HRIPFBLIUTZCOO-LLVKDONJSA-N 0 0 409.305 5.037 50 5 HKBARN CC[C@H](C)NC(=O)c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000003021421 568840395 /nfs/dbraw/zinc/84/03/95/568840395.db2.gz HRIPFBLIUTZCOO-NSHDSACASA-N 0 0 409.305 5.037 50 5 HKBARN O=C(NCCC1=CCCCC1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003021507 568840351 /nfs/dbraw/zinc/84/03/51/568840351.db2.gz TWPBTHQWXGUVJH-UHFFFAOYSA-N 0 0 400.475 5.505 50 5 HKBARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000003021510 568840358 /nfs/dbraw/zinc/84/03/58/568840358.db2.gz KWVCULNHIJNMJK-LBTNJELSSA-N 0 0 402.491 5.440 50 5 HKBARN Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cc(Cl)cc2c1OCOC2 ZINC000003027968 568841677 /nfs/dbraw/zinc/84/16/77/568841677.db2.gz FYNOCCOQEODTSI-UHFFFAOYSA-N 0 0 419.843 5.445 50 5 HKBARN CCc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003032447 568844976 /nfs/dbraw/zinc/84/49/76/568844976.db2.gz SPOBZGNRUYZXEK-UHFFFAOYSA-N 0 0 412.898 6.214 50 5 HKBARN CCc1ccccc1NC(=O)c1ccc(SCc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000003032449 568844953 /nfs/dbraw/zinc/84/49/53/568844953.db2.gz VKXHLNHDCGRMFC-UHFFFAOYSA-N 0 0 422.506 5.710 50 5 HKBARN Cc1ccc(NC(=O)c2ccc(Sc3ccccc3Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000003032454 568844973 /nfs/dbraw/zinc/84/49/73/568844973.db2.gz ZSMYWVFCKGOPAU-UHFFFAOYSA-N 0 0 412.898 6.269 50 5 HKBARN COc1ccc(CSc2ccc(C(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 ZINC000003032456 568844972 /nfs/dbraw/zinc/84/49/72/568844972.db2.gz RSWJKBYVFIEJFJ-UHFFFAOYSA-N 0 0 422.506 5.765 50 5 HKBARN COc1cccc(NC(=O)c2ccc(Sc3ccccc3Cl)c([N+](=O)[O-])c2)c1 ZINC000003032457 568844950 /nfs/dbraw/zinc/84/49/50/568844950.db2.gz NWYVOHMQKFCNQL-UHFFFAOYSA-N 0 0 414.870 5.660 50 5 HKBARN COc1ccc(CSc2ccc(C(=O)Nc3cccc(OC)c3)cc2[N+](=O)[O-])cc1 ZINC000003032459 568844970 /nfs/dbraw/zinc/84/49/70/568844970.db2.gz WJSHAVIPNRQPMP-UHFFFAOYSA-N 0 0 424.478 5.157 50 5 HKBARN Cc1ccc(NC(=O)c2ccc(Sc3ccccc3Cl)c([N+](=O)[O-])c2)cc1F ZINC000003032462 568844966 /nfs/dbraw/zinc/84/49/66/568844966.db2.gz QNTLOOZIDHAFFJ-UHFFFAOYSA-N 0 0 416.861 6.099 50 5 HKBARN O=C(Nc1cc(F)cc(F)c1)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003032468 568844975 /nfs/dbraw/zinc/84/49/75/568844975.db2.gz HQBHSAMTWKDLFT-UHFFFAOYSA-N 0 0 420.824 5.930 50 5 HKBARN Clc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1 ZINC000003037258 569322881 /nfs/dbraw/zinc/32/28/81/569322881.db2.gz RRXMDQKSJFHBOE-BXVZCJGGSA-N 0 0 421.887 7.015 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000003041575 568847986 /nfs/dbraw/zinc/84/79/86/568847986.db2.gz WDLFZRADBKHECA-UHFFFAOYSA-N 0 0 403.238 5.368 50 5 HKBARN O=[N+]([O-])c1c(-c2cn(-c3ccc(Cl)cc3)nc2C(F)(F)F)ccc2ccccc21 ZINC000003048960 568849787 /nfs/dbraw/zinc/84/97/87/568849787.db2.gz MEUYJYCARLORSZ-UHFFFAOYSA-N 0 0 417.774 6.273 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000003050349 568850784 /nfs/dbraw/zinc/85/07/84/568850784.db2.gz HTHYHYVKUMQAGX-UHFFFAOYSA-N 0 0 410.351 6.621 50 5 HKBARN CCOc1ccc2c(c1)sc1nc(-c3cc4c(ccc5ccccc54)oc3=O)cn21 ZINC000003052438 568851382 /nfs/dbraw/zinc/85/13/82/568851382.db2.gz TWIYIPMQNDRWPA-UHFFFAOYSA-N 0 0 412.470 5.874 50 5 HKBARN Clc1cc(Cl)c2c(Cl)cc3c(Cl)cc(Cl)c4c(Cl)cc1c2c34 ZINC000003056968 557443427 /nfs/dbraw/zinc/44/34/27/557443427.db2.gz LVTBZWDVFFKFMF-UHFFFAOYSA-N 0 0 408.926 8.504 50 5 HKBARN COc1cc([N+](=O)[O-])cc2c1O[C@]1(C=C2)N(C)c2ccc3ccccc3c2C1(C)C ZINC000003068488 568853374 /nfs/dbraw/zinc/85/33/74/568853374.db2.gz AXRFZCIWLRIMBH-DEOSSOPVSA-N 0 0 402.450 5.286 50 5 HKBARN COc1cc([N+](=O)[O-])cc2c1O[C@@]1(C=C2)N(C)c2ccc3ccccc3c2C1(C)C ZINC000003068489 568853372 /nfs/dbraw/zinc/85/33/72/568853372.db2.gz AXRFZCIWLRIMBH-XMMPIXPASA-N 0 0 402.450 5.286 50 5 HKBARN Cc1cc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)ccc1[N+](=O)[O-] ZINC000003068818 568852657 /nfs/dbraw/zinc/85/26/57/568852657.db2.gz MSCGLZOEEBJWRC-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CCC(C)(C)c1ccc(OCCCCn2cc([N+](=O)[O-])nc2C)c(C(C)(C)CC)c1 ZINC000003073925 568853803 /nfs/dbraw/zinc/85/38/03/568853803.db2.gz LYSYQBVIUXIUPL-UHFFFAOYSA-N 0 0 415.578 6.334 50 5 HKBARN COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c(Cl)cccc32)cc1 ZINC000003075525 568727327 /nfs/dbraw/zinc/72/73/27/568727327.db2.gz AFPGGRLQEQFKBS-UHFFFAOYSA-N 0 0 424.927 7.998 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1C1N(c2ccc(C)cc2)CCN1c1ccc(C)cc1 ZINC000003079946 568854004 /nfs/dbraw/zinc/85/40/04/568854004.db2.gz FBDLZMGYRCADHS-UHFFFAOYSA-N 0 0 403.482 5.246 50 5 HKBARN O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000003087527 568854316 /nfs/dbraw/zinc/85/43/16/568854316.db2.gz YTUODBHFRUJBJS-UHFFFAOYSA-N 0 0 413.227 5.402 50 5 HKBARN O=[N+]([O-])c1cccc(C2N(c3ccc(Cl)cc3)CCN2c2ccc(Cl)cc2)c1 ZINC000003098770 568854714 /nfs/dbraw/zinc/85/47/14/568854714.db2.gz DMBKUPHSBWEFFV-UHFFFAOYSA-N 0 0 414.292 5.927 50 5 HKBARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000003100237 568854655 /nfs/dbraw/zinc/85/46/55/568854655.db2.gz OHRSSPZGILMUNQ-UHFFFAOYSA-N 0 0 421.478 5.040 50 5 HKBARN c1c2ccccc2oc1-c1cc(-c2ccc3c(c2)OCO3)nc2ccc3ccccc3c21 ZINC000003101147 568855492 /nfs/dbraw/zinc/85/54/92/568855492.db2.gz IMZJRCHMKSOGDH-UHFFFAOYSA-N 0 0 415.448 7.197 50 5 HKBARN O=C(OCc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000003105627 568855672 /nfs/dbraw/zinc/85/56/72/568855672.db2.gz JCZKMNQBUBOGBP-UHFFFAOYSA-N 0 0 418.232 6.051 50 5 HKBARN O=C(OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000003105629 568855731 /nfs/dbraw/zinc/85/57/31/568855731.db2.gz QXBJLUWKGMIZJV-UHFFFAOYSA-N 0 0 418.232 6.051 50 5 HKBARN O=C(OCc1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000003105643 568855677 /nfs/dbraw/zinc/85/56/77/568855677.db2.gz HTICRVUQIGXZEG-UHFFFAOYSA-N 0 0 419.767 5.676 50 5 HKBARN O=[N+]([O-])c1ccc(C2N(c3ccc(Cl)cc3)CCN2c2ccc(Cl)cc2)cc1 ZINC000003107701 568855202 /nfs/dbraw/zinc/85/52/02/568855202.db2.gz LDGAFYUUUMBXPR-UHFFFAOYSA-N 0 0 414.292 5.927 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000003108519 568855062 /nfs/dbraw/zinc/85/50/62/568855062.db2.gz JRCKGBFTWDFHPG-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000003108870 568855120 /nfs/dbraw/zinc/85/51/20/568855120.db2.gz AOPFAYDVOQOBNO-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1[N+](=O)[O-] ZINC000003108885 568856104 /nfs/dbraw/zinc/85/61/04/568856104.db2.gz SZWYROZXKBHJSS-UHFFFAOYSA-N 0 0 417.421 5.281 50 5 HKBARN Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000003119185 568856532 /nfs/dbraw/zinc/85/65/32/568856532.db2.gz UPTPRFNBBAMXSR-UHFFFAOYSA-N 0 0 415.833 6.141 50 5 HKBARN O=[N+]([O-])c1cc(C2SCCS2)ccc1Sc1ccc(Br)cc1 ZINC000003120399 568856856 /nfs/dbraw/zinc/85/68/56/568856856.db2.gz XHIZWOVJXFMVKL-UHFFFAOYSA-N 0 0 414.371 5.987 50 5 HKBARN O=[N+]([O-])c1ccc(-c2csc(CSc3nnc(SCC4CC4)s3)n2)cc1 ZINC000003120509 568856873 /nfs/dbraw/zinc/85/68/73/568856873.db2.gz GLKWHAPEZIEKRV-UHFFFAOYSA-N 0 0 422.582 5.364 50 5 HKBARN Clc1cccc2c1cc1ccccc1c2-c1c2ccccc2cc2c(Cl)cccc21 ZINC000003123098 557448456 /nfs/dbraw/zinc/44/84/56/557448456.db2.gz BWIGRMQYJUUWCK-UHFFFAOYSA-N 0 0 423.342 9.273 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000003123141 568856634 /nfs/dbraw/zinc/85/66/34/568856634.db2.gz JJNQLWRBOHFGIA-UHFFFAOYSA-N 0 0 421.254 5.272 50 5 HKBARN O=C(Nc1cccc(C(F)(F)F)c1)c1sccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000003125652 568856967 /nfs/dbraw/zinc/85/69/67/568856967.db2.gz VEJRZWZDSWOJQU-UHFFFAOYSA-N 0 0 408.357 5.720 50 5 HKBARN O=C(Nc1ccc(C(F)(F)F)cc1)c1sccc1Oc1ccccc1[N+](=O)[O-] ZINC000003125658 568857156 /nfs/dbraw/zinc/85/71/56/568857156.db2.gz QPYUYEGSCVKYHD-UHFFFAOYSA-N 0 0 408.357 5.720 50 5 HKBARN Cc1c(Cl)cccc1NC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1F ZINC000003128269 568857233 /nfs/dbraw/zinc/85/72/33/568857233.db2.gz VAAPRWMRFWMHBL-UHFFFAOYSA-N 0 0 406.822 5.802 50 5 HKBARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000003129766 568857089 /nfs/dbraw/zinc/85/70/89/568857089.db2.gz ICZOOXAKPHGHIY-UHFFFAOYSA-N 0 0 401.447 5.638 50 5 HKBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000003129950 568856963 /nfs/dbraw/zinc/85/69/63/568856963.db2.gz ALMIIHDLKRILRW-UHFFFAOYSA-N 0 0 413.389 5.635 50 5 HKBARN c1ccc2c(c1)c1c3ccccc3c2CCc2c3ccccc3c(c3ccccc32)CC1 ZINC000003131032 557449436 /nfs/dbraw/zinc/44/94/36/557449436.db2.gz VCCYKNKAQTXXMJ-UHFFFAOYSA-N 0 0 408.544 8.183 50 5 HKBARN Clc1cccc2c1c(Cc1ccccc1)c1cccc(Cl)c1c2-c1ccccc1 ZINC000003132854 568727596 /nfs/dbraw/zinc/72/75/96/568727596.db2.gz KVHPTFMSZLUFPF-UHFFFAOYSA-N 0 0 413.347 8.558 50 5 HKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000003137223 569012496 /nfs/dbraw/zinc/01/24/96/569012496.db2.gz NDVZSAZLNFDCGK-UHFFFAOYSA-N 0 0 421.412 6.538 50 5 HKBARN CCc1ccc(-c2ccc(OC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000003137847 568857460 /nfs/dbraw/zinc/85/74/60/568857460.db2.gz FRSDTDIIWPMZPV-UHFFFAOYSA-N 0 0 415.367 6.062 50 5 HKBARN O=[N+]([O-])c1cc(C2SCCS2)ccc1Sc1ccc(C(F)(F)F)cn1 ZINC000003139048 568857484 /nfs/dbraw/zinc/85/74/84/568857484.db2.gz IJWRQANHKVNFAA-UHFFFAOYSA-N 0 0 404.460 5.638 50 5 HKBARN Cc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000003139445 560589101 /nfs/dbraw/zinc/58/91/01/560589101.db2.gz OFRRCFJEIKDDBG-XMMPIXPASA-N 0 0 411.461 5.172 50 5 HKBARN Cc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000003139446 560589053 /nfs/dbraw/zinc/58/90/53/560589053.db2.gz OFRRCFJEIKDDBG-DEOSSOPVSA-N 0 0 411.461 5.172 50 5 HKBARN O=C(Nc1cc(Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000003140513 568858014 /nfs/dbraw/zinc/85/80/14/568858014.db2.gz BBKZPKJVFSLYHB-UHFFFAOYSA-N 0 0 420.824 5.930 50 5 HKBARN O=C(Cc1ccc(F)cc1)Nc1cc(Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000003140518 568858013 /nfs/dbraw/zinc/85/80/13/568858013.db2.gz CWKFHUMISABQGB-UHFFFAOYSA-N 0 0 416.861 5.720 50 5 HKBARN O=[N+]([O-])c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003146339 568858034 /nfs/dbraw/zinc/85/80/34/568858034.db2.gz VXJQKIZRZVQMEM-UHFFFAOYSA-N 0 0 422.440 6.510 50 5 HKBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c32)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000003146432 132262879 /nfs/dbraw/zinc/26/28/79/132262879.db2.gz BZLHRDZPUAWFQH-UHFFFAOYSA-N 0 0 410.385 5.341 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(c1ccccc1)c1ccc2ccccc2c1 ZINC000003146547 568858202 /nfs/dbraw/zinc/85/82/02/568858202.db2.gz FLOCMUCXBRJCBR-UHFFFAOYSA-N 0 0 413.389 5.635 50 5 HKBARN Clc1ccc(-c2cc(/C=C/C=C/c3ccccc3)c3c(ccc4ccccc43)n2)cc1 ZINC000003147467 557451240 /nfs/dbraw/zinc/45/12/40/557451240.db2.gz CRYILSKWOHGJMU-JBZDOKMESA-N 0 0 417.939 8.435 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2Br)c(Cl)c1 ZINC000003159157 568858339 /nfs/dbraw/zinc/85/83/39/568858339.db2.gz CCOAJNIEJMEYBI-UHFFFAOYSA-N 0 0 407.445 5.566 50 5 HKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(C2CCCCC2)cc1 ZINC000003162283 568858798 /nfs/dbraw/zinc/85/87/98/568858798.db2.gz AQJKUGVZSSBIKN-UHFFFAOYSA-N 0 0 410.348 6.362 50 5 HKBARN Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000003163876 568858972 /nfs/dbraw/zinc/85/89/72/568858972.db2.gz XQMUODLXYQAVNN-UHFFFAOYSA-N 0 0 406.438 5.677 50 5 HKBARN CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000003166442 568858802 /nfs/dbraw/zinc/85/88/02/568858802.db2.gz SNDGZFPXIAECEC-MHECFPHRSA-N 0 0 416.481 5.208 50 5 HKBARN CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c(C(C)C)c1 ZINC000003171303 568859521 /nfs/dbraw/zinc/85/95/21/568859521.db2.gz VVFDKPPGYZURFC-UHFFFAOYSA-N 0 0 405.516 5.733 50 5 HKBARN O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003175918 568859900 /nfs/dbraw/zinc/85/99/00/568859900.db2.gz HMVYIGCFRCZNAS-UHFFFAOYSA-N 0 0 424.281 5.335 50 5 HKBARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000003176847 560588658 /nfs/dbraw/zinc/58/86/58/560588658.db2.gz BPUGBBCSHKJEHD-UHFFFAOYSA-N 0 0 415.232 5.385 50 5 HKBARN Cc1cnn(-c2ccccc2)c1Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003185707 568860463 /nfs/dbraw/zinc/86/04/63/568860463.db2.gz VSSAURQDZYCAEM-UHFFFAOYSA-N 0 0 413.437 5.085 50 5 HKBARN O=C1O[C@H](Nc2ccccc2Sc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000003185773 568860128 /nfs/dbraw/zinc/86/01/28/568860128.db2.gz RHHPKLHSNFXYCP-IBGZPJMESA-N 0 0 412.854 5.681 50 5 HKBARN O=C1O[C@@H](Nc2ccccc2Sc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000003185775 568860122 /nfs/dbraw/zinc/86/01/22/568860122.db2.gz RHHPKLHSNFXYCP-LJQANCHMSA-N 0 0 412.854 5.681 50 5 HKBARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000003187577 568860020 /nfs/dbraw/zinc/86/00/20/568860020.db2.gz RQJLPKHWPWKOQA-UHFFFAOYSA-N 0 0 400.268 5.339 50 5 HKBARN O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])s1 ZINC000003187586 568860165 /nfs/dbraw/zinc/86/01/65/568860165.db2.gz HINWVCKEGPPHNP-UHFFFAOYSA-N 0 0 407.476 5.699 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000003191635 568860767 /nfs/dbraw/zinc/86/07/67/568860767.db2.gz KKNLQDKRSTULBA-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN CCCCCn1c2nc3ccccc3nc2c2c1nc(-c1ccc(F)cc1)oc2=O ZINC000003193552 568860900 /nfs/dbraw/zinc/86/09/00/568860900.db2.gz SFELNTFNBLWSJF-UHFFFAOYSA-N 0 0 402.429 5.082 50 5 HKBARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000003194006 568860951 /nfs/dbraw/zinc/86/09/51/568860951.db2.gz UIZYOUFABARTKX-UHFFFAOYSA-N 0 0 421.459 5.932 50 5 HKBARN O=c1[nH]c(Nc2ccc(F)cc2)c(Sc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000003196167 568861135 /nfs/dbraw/zinc/86/11/35/568861135.db2.gz UTUWVBADWFUSPY-UHFFFAOYSA-N 0 0 407.426 5.470 50 5 HKBARN CN(C)c1oc(Sc2ccccc2[N+](=O)[O-])cc1Sc1ccccc1[N+](=O)[O-] ZINC000003196170 568861122 /nfs/dbraw/zinc/86/11/22/568861122.db2.gz STSGXUDKDVRQBW-UHFFFAOYSA-N 0 0 417.468 5.464 50 5 HKBARN O=[N+]([O-])c1ccccc1SN(Sc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000003197442 568861049 /nfs/dbraw/zinc/86/10/49/568861049.db2.gz FAOZGSRFEAPILM-UHFFFAOYSA-N 0 0 406.470 5.181 50 5 HKBARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000003200277 568861226 /nfs/dbraw/zinc/86/12/26/568861226.db2.gz AXSHSXJZDZGGFP-UHFFFAOYSA-N 0 0 407.476 5.284 50 5 HKBARN O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000003202806 568861435 /nfs/dbraw/zinc/86/14/35/568861435.db2.gz FXCGCIVENFCZTL-UHFFFAOYSA-N 0 0 424.308 7.044 50 5 HKBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn32)cc1OC ZINC000003205176 568846210 /nfs/dbraw/zinc/84/62/10/568846210.db2.gz UXANYJQFQFBTRR-OAQYLSRUSA-N 0 0 402.450 5.032 50 5 aggregator HKBARN COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn32)cc1OC ZINC000003205178 568861694 /nfs/dbraw/zinc/86/16/94/568861694.db2.gz UXANYJQFQFBTRR-NRFANRHFSA-N 0 0 402.450 5.032 50 5 aggregator HKBARN O=[N+]([O-])C[C@H](c1c(-c2ccccc2)cc2ccccn21)c1ccc(OC(F)F)cc1 ZINC000003205733 568861628 /nfs/dbraw/zinc/86/16/28/568861628.db2.gz HCIOOBDLVHAPRE-NRFANRHFSA-N 0 0 408.404 5.616 50 5 HKBARN O=[N+]([O-])C[C@@H](c1c(-c2ccccc2)cc2ccccn21)c1ccc(OC(F)F)cc1 ZINC000003205735 568861620 /nfs/dbraw/zinc/86/16/20/568861620.db2.gz HCIOOBDLVHAPRE-OAQYLSRUSA-N 0 0 408.404 5.616 50 5 HKBARN O=[N+]([O-])C[C@H](c1c(-c2ccccc2)cc2ccccn21)c1ccc(C(F)(F)F)cc1 ZINC000003205737 568861645 /nfs/dbraw/zinc/86/16/45/568861645.db2.gz SXOJAISDWIOKHB-NRFANRHFSA-N 0 0 410.395 6.034 50 5 HKBARN O=[N+]([O-])C[C@@H](c1c(-c2ccccc2)cc2ccccn21)c1ccc(C(F)(F)F)cc1 ZINC000003205738 568861691 /nfs/dbraw/zinc/86/16/91/568861691.db2.gz SXOJAISDWIOKHB-OAQYLSRUSA-N 0 0 410.395 6.034 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)oc2c(C)c1 ZINC000003206088 568861379 /nfs/dbraw/zinc/86/13/79/568861379.db2.gz RSADBOYTASEGIC-UHFFFAOYSA-N 0 0 415.449 5.889 50 5 HKBARN CCCOP(=O)(OCCC)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000003206691 568861809 /nfs/dbraw/zinc/86/18/09/568861809.db2.gz OEHDENXGVAGYAZ-FQEVSTJZSA-N 0 0 420.402 5.070 50 5 HKBARN CCCOP(=O)(OCCC)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000003206692 568861803 /nfs/dbraw/zinc/86/18/03/568861803.db2.gz OEHDENXGVAGYAZ-HXUWFJFHSA-N 0 0 420.402 5.070 50 5 HKBARN COc1ccc(Nc2[nH]c(=O)c3ccccc3c2Sc2ccccc2[N+](=O)[O-])cc1 ZINC000003207267 568861830 /nfs/dbraw/zinc/86/18/30/568861830.db2.gz CFGULETUENQEDD-UHFFFAOYSA-N 0 0 419.462 5.340 50 5 HKBARN O=[N+]([O-])C[C@H](c1c(-c2ccccc2)cc2ccccn21)c1ccc(Cl)cc1Cl ZINC000003207711 568861815 /nfs/dbraw/zinc/86/18/15/568861815.db2.gz PAWMRPFHDCRTGJ-FQEVSTJZSA-N 0 0 411.288 6.322 50 5 HKBARN O=[N+]([O-])C[C@@H](c1c(-c2ccccc2)cc2ccccn21)c1ccc(Cl)cc1Cl ZINC000003207713 568861817 /nfs/dbraw/zinc/86/18/17/568861817.db2.gz PAWMRPFHDCRTGJ-HXUWFJFHSA-N 0 0 411.288 6.322 50 5 HKBARN Cc1c(C2=CCCCC2)c2ccccn2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003208250 568861776 /nfs/dbraw/zinc/86/17/76/568861776.db2.gz ALYCVBXZECOTPX-UHFFFAOYSA-N 0 0 405.410 5.253 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003208973 568861828 /nfs/dbraw/zinc/86/18/28/568861828.db2.gz RXYABHQGHJMCIF-UHFFFAOYSA-N 0 0 416.412 5.147 50 5 HKBARN O=C(c1c(-c2ccc(Cl)cc2)cc2ccccn21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003213977 568862437 /nfs/dbraw/zinc/86/24/37/568862437.db2.gz LWQCIQIFVMOMSR-UHFFFAOYSA-N 0 0 411.244 6.052 50 5 HKBARN Cc1ccc(Nc2[nH]c(=O)c3ccccc3c2Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003218282 568863015 /nfs/dbraw/zinc/86/30/15/568863015.db2.gz AXYAGSXRJISZRG-UHFFFAOYSA-N 0 0 403.463 5.640 50 5 HKBARN CCOC(=O)c1c(-c2ccccc2)csc1NSc1ccccc1[N+](=O)[O-] ZINC000003218822 568862931 /nfs/dbraw/zinc/86/29/31/568862931.db2.gz AFVXGWGGYBFNQT-UHFFFAOYSA-N 0 0 400.481 5.619 50 5 HKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1OC ZINC000003219807 568861978 /nfs/dbraw/zinc/86/19/78/568861978.db2.gz MCNTXLIIHMKKIO-IBGZPJMESA-N 0 0 420.440 5.400 50 5 HKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1OC ZINC000003219808 568862037 /nfs/dbraw/zinc/86/20/37/568862037.db2.gz MCNTXLIIHMKKIO-LJQANCHMSA-N 0 0 420.440 5.400 50 5 HKBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)Nc1ccc(Cl)cc1Cl ZINC000003220034 560589766 /nfs/dbraw/zinc/58/97/66/560589766.db2.gz KYBTUVGIXRHSSG-UHFFFAOYSA-N 0 0 424.283 6.095 50 5 HKBARN O=c1[nH]c(Nc2ccc(Cl)cc2)c(Sc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000003226583 568864073 /nfs/dbraw/zinc/86/40/73/568864073.db2.gz KOIOGCNHFHZGLN-UHFFFAOYSA-N 0 0 423.881 5.985 50 5 HKBARN CC(=O)c1c([O-])[n+](-c2ccc(C(C)C)cc2)c2nc(C)n3c4ccccc4sc3c1-2 ZINC000003227418 568864254 /nfs/dbraw/zinc/86/42/54/568864254.db2.gz NNKQCDLTTVNHPW-UHFFFAOYSA-O 0 0 416.526 5.319 50 5 HKBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn32)c(OC)c1 ZINC000003234631 568865342 /nfs/dbraw/zinc/86/53/42/568865342.db2.gz RIKVIEGFSJHRAL-JOCHJYFZSA-N 0 0 402.450 5.032 50 5 aggregator HKBARN COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn32)c(OC)c1 ZINC000003234632 568865313 /nfs/dbraw/zinc/86/53/13/568865313.db2.gz RIKVIEGFSJHRAL-QFIPXVFZSA-N 0 0 402.450 5.032 50 5 aggregator HKBARN O=C(c1c(-c2ccc(Cl)cc2)cc2ccccn21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003236012 568865683 /nfs/dbraw/zinc/86/56/83/568865683.db2.gz AIAIPLIPDSSCIK-UHFFFAOYSA-N 0 0 411.244 6.052 50 5 HKBARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003236608 568864778 /nfs/dbraw/zinc/86/47/78/568864778.db2.gz VXKRBYPUJPOUEK-UHFFFAOYSA-N 0 0 414.830 5.074 50 5 HKBARN O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000003241530 568866554 /nfs/dbraw/zinc/86/65/54/568866554.db2.gz KULXASVZEHVMGL-UHFFFAOYSA-N 0 0 401.447 5.638 50 5 HKBARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000003242042 568866542 /nfs/dbraw/zinc/86/65/42/568866542.db2.gz AAYQGXDEXHKQMD-UHFFFAOYSA-N 0 0 419.864 5.451 50 5 HKBARN COc1ccc(C(=O)c2c3ccc4ccccc4n3c3nc4ccccc4nc32)cc1 ZINC000003243183 568866718 /nfs/dbraw/zinc/86/67/18/568866718.db2.gz ULHDPQPJPMMOGM-UHFFFAOYSA-N 0 0 403.441 5.429 50 5 HKBARN O=C(c1c2nc3ccccc3nc2n2c1ccc1ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000003243449 568866743 /nfs/dbraw/zinc/86/67/43/568866743.db2.gz KXJQYPPPSYVVPO-UHFFFAOYSA-N 0 0 418.412 5.328 50 5 HKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cc(Cl)ccc1Cl ZINC000003253707 568868078 /nfs/dbraw/zinc/86/80/78/568868078.db2.gz SKOBRNBCKORORB-UHFFFAOYSA-N 0 0 414.295 5.242 50 5 HKBARN CCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2ccccc21 ZINC000003254866 568868350 /nfs/dbraw/zinc/86/83/50/568868350.db2.gz CJQHXHYPCHKWPU-UHFFFAOYSA-N 0 0 423.519 5.503 50 5 HKBARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000003258294 560590729 /nfs/dbraw/zinc/59/07/29/560590729.db2.gz ZPUGTHBBCPAFQB-UHFFFAOYSA-N 0 0 412.518 5.383 50 5 HKBARN CCc1c2cc(Br)ccc2oc(=O)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000003261005 568869197 /nfs/dbraw/zinc/86/91/97/568869197.db2.gz CHNHKDLQUYCNAN-UHFFFAOYSA-N 0 0 406.257 5.177 50 5 HKBARN O=c1[nH]c(Nc2ccc(F)cc2)c(Sc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000003262888 568869419 /nfs/dbraw/zinc/86/94/19/568869419.db2.gz TVEHJEBNADHDQY-UHFFFAOYSA-N 0 0 407.426 5.470 50 5 HKBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000003264931 568869854 /nfs/dbraw/zinc/86/98/54/568869854.db2.gz SPGYXLPQKKXWKF-UHFFFAOYSA-N 0 0 418.836 5.820 50 5 HKBARN Cc1ccc(-c2nn3c(=O)c4cc(-c5ccccc5)sc4nc3c3ccccc32)cc1 ZINC000003267699 557465932 /nfs/dbraw/zinc/46/59/32/557465932.db2.gz VCOGQSPEJWUUOZ-UHFFFAOYSA-N 0 0 419.509 6.100 50 5 HKBARN Cc1cc2oc(=O)cc(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2cc1C(C)C ZINC000003279077 568871332 /nfs/dbraw/zinc/87/13/32/568871332.db2.gz JKCCZBSJINOEQP-UHFFFAOYSA-N 0 0 415.829 5.143 50 5 HKBARN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1 ZINC000003281371 568871606 /nfs/dbraw/zinc/87/16/06/568871606.db2.gz CWRCRWSSOFCGCC-OAQYLSRUSA-N 0 0 402.450 5.164 50 5 HKBARN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1 ZINC000003281373 568871681 /nfs/dbraw/zinc/87/16/81/568871681.db2.gz CWRCRWSSOFCGCC-NRFANRHFSA-N 0 0 402.450 5.164 50 5 HKBARN CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000003281791 560591468 /nfs/dbraw/zinc/59/14/68/560591468.db2.gz HBNCYDIWFXQBLM-SFQUDFHCSA-N 0 0 401.466 5.793 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000003288481 568872849 /nfs/dbraw/zinc/87/28/49/568872849.db2.gz UTFUMOWQVAAINC-UHFFFAOYSA-N 0 0 409.945 5.684 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)cc1 ZINC000003289093 560591654 /nfs/dbraw/zinc/59/16/54/560591654.db2.gz WDAGYKHIFKMZSI-UHFFFAOYSA-N 0 0 412.490 5.790 50 5 HKBARN O=C(OCCOc1ccc(Br)cc1)c1c2ccccc2cc2ccccc21 ZINC000003289516 568872924 /nfs/dbraw/zinc/87/29/24/568872924.db2.gz PIVBQWRXWJSKQA-UHFFFAOYSA-N 0 0 421.290 5.991 50 5 HKBARN CCCCNc1ccccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003295488 568874869 /nfs/dbraw/zinc/87/48/69/568874869.db2.gz MMMANUDUGZZCCE-UHFFFAOYSA-N 0 0 401.462 5.515 50 5 HKBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000003297823 568875620 /nfs/dbraw/zinc/87/56/20/568875620.db2.gz OKOJIYHLACOPIE-UHFFFAOYSA-N 0 0 401.340 5.638 50 5 HKBARN O=c1cc(CSc2ncc(C(F)(F)F)cc2Cl)c2c(ccc3ccccc32)o1 ZINC000003303390 568877067 /nfs/dbraw/zinc/87/70/67/568877067.db2.gz PRLUZANXGZNTBA-UHFFFAOYSA-N 0 0 421.827 6.306 50 5 HKBARN CSc1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000003305355 568877366 /nfs/dbraw/zinc/87/73/66/568877366.db2.gz ZJLLJSGBYSFHDY-UHFFFAOYSA-N 0 0 402.419 5.066 50 5 HKBARN O=[N+]([O-])c1ccc2nc(SCc3cc(Cl)ccc3OC(F)F)sc2c1 ZINC000003305820 568877357 /nfs/dbraw/zinc/87/73/57/568877357.db2.gz JEZYFQGTNSGONE-UHFFFAOYSA-N 0 0 402.831 5.752 50 5 HKBARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000003307982 560591873 /nfs/dbraw/zinc/59/18/73/560591873.db2.gz KRITZMZCTBPMRJ-CCEZHUSRSA-N 0 0 410.433 5.099 50 5 HKBARN O=C(c1c(-c2ccc([N+](=O)[O-])cc2)cc2ccccn21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003313619 568878912 /nfs/dbraw/zinc/87/89/12/568878912.db2.gz RXEONOCLNZWMKK-UHFFFAOYSA-N 0 0 421.796 5.307 50 5 HKBARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 ZINC000003314195 568879022 /nfs/dbraw/zinc/87/90/22/568879022.db2.gz MFMUBAXFRICEDK-JOCHJYFZSA-N 0 0 418.449 5.057 50 5 HKBARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 ZINC000003314198 568878991 /nfs/dbraw/zinc/87/89/91/568878991.db2.gz MFMUBAXFRICEDK-QFIPXVFZSA-N 0 0 418.449 5.057 50 5 HKBARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000003314294 568879098 /nfs/dbraw/zinc/87/90/98/568879098.db2.gz ZAOLDVQUFNFLEY-UHFFFAOYSA-N 0 0 418.493 6.256 50 5 HKBARN O=C(Nc1ccccc1-c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000003314975 568878293 /nfs/dbraw/zinc/87/82/93/568878293.db2.gz YYHNNQLVDBLBSM-NCELDCMTSA-N 0 0 420.468 6.441 50 5 HKBARN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000003315785 568879415 /nfs/dbraw/zinc/87/94/15/568879415.db2.gz HGUBVXMAVLDLID-UHFFFAOYSA-N 0 0 401.846 5.336 50 5 HKBARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)cc1 ZINC000003317963 560592284 /nfs/dbraw/zinc/59/22/84/560592284.db2.gz PMRHUYURSMHDSB-UHFFFAOYSA-N 0 0 410.495 6.389 50 5 HKBARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003329711 568881646 /nfs/dbraw/zinc/88/16/46/568881646.db2.gz NMLOBMUSSKZKSU-UHFFFAOYSA-N 0 0 400.268 5.339 50 5 HKBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)Nc1ccccc1OC(F)F ZINC000003332737 568882232 /nfs/dbraw/zinc/88/22/32/568882232.db2.gz NFQVQERTIWWROW-UHFFFAOYSA-N 0 0 421.399 5.390 50 5 HKBARN CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003336999 568882992 /nfs/dbraw/zinc/88/29/92/568882992.db2.gz UDSODEOOYMSHPH-UHFFFAOYSA-N 0 0 415.540 5.124 50 5 HKBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000003338075 568883160 /nfs/dbraw/zinc/88/31/60/568883160.db2.gz XEVMNSAGFDIRNT-UHFFFAOYSA-N 0 0 416.355 5.714 50 5 HKBARN Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000003348839 568885138 /nfs/dbraw/zinc/88/51/38/568885138.db2.gz MOCZHFAGHOGTQO-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN Clc1ccc(Oc2cccc(-c3nc4c([nH]3)c3ccccc3c3ccccc43)c2)cc1 ZINC000003348984 568885148 /nfs/dbraw/zinc/88/51/48/568885148.db2.gz HNOYMISSCFCNAS-UHFFFAOYSA-N 0 0 420.899 7.982 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2cc(-c3nc4ccccc4s3)c3ccccc3n2)cc1 ZINC000003349409 568885325 /nfs/dbraw/zinc/88/53/25/568885325.db2.gz UVCNWPLUVOCYLI-UHFFFAOYSA-N 0 0 415.499 6.571 50 5 HKBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c2ccccc2cc2ccccc21 ZINC000003352124 560593956 /nfs/dbraw/zinc/59/39/56/560593956.db2.gz KSEATHHLEFBJKP-UHFFFAOYSA-N 0 0 415.401 5.125 50 5 HKBARN CCCc1ccc(-c2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C)cc1 ZINC000003354215 568886330 /nfs/dbraw/zinc/88/63/30/568886330.db2.gz RWUYMKDUPDISTH-UHFFFAOYSA-N 0 0 415.902 5.885 50 5 HKBARN CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000003366569 568888013 /nfs/dbraw/zinc/88/80/13/568888013.db2.gz WKTMUVAXWALENX-LFIBNONCSA-N 0 0 401.466 5.793 50 5 HKBARN Cc1sc2nc3c4ccccc4c(Nc4ccc(C)c(C)c4)nn3c(=O)c2c1C ZINC000003399091 568895888 /nfs/dbraw/zinc/89/58/88/568895888.db2.gz WVNHGBYLMROXGU-UHFFFAOYSA-N 0 0 400.507 5.435 50 5 HKBARN Cc1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1Cc1ccccc1 ZINC000003411383 568898330 /nfs/dbraw/zinc/89/83/30/568898330.db2.gz DHJGHFVMUYWHBW-UHFFFAOYSA-N 0 0 413.502 5.187 50 5 HKBARN Cc1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1-c1ccccc1C ZINC000003424502 560594469 /nfs/dbraw/zinc/59/44/69/560594469.db2.gz OFZMXXWHHXSYSX-UHFFFAOYSA-N 0 0 413.502 5.436 50 5 HKBARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000003424995 568900292 /nfs/dbraw/zinc/90/02/92/568900292.db2.gz HVVXLBGCFVNBHV-UHFFFAOYSA-N 0 0 424.239 5.049 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 ZINC000003430658 568901757 /nfs/dbraw/zinc/90/17/57/568901757.db2.gz IOVGBHAPRFVVBX-UHFFFAOYSA-N 0 0 420.469 5.333 50 5 HKBARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000003430790 568901791 /nfs/dbraw/zinc/90/17/91/568901791.db2.gz SXXJFJJLEKICSI-UHFFFAOYSA-N 0 0 412.785 5.022 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 ZINC000003431457 568901830 /nfs/dbraw/zinc/90/18/30/568901830.db2.gz UDNCXXGBODGVGW-UHFFFAOYSA-N 0 0 408.508 5.255 50 5 HKBARN Cc1sc2nc(CN3CCC(C)CC3)nc(Oc3ccccc3[N+](=O)[O-])c2c1C ZINC000003444951 568904484 /nfs/dbraw/zinc/90/44/84/568904484.db2.gz IZELUAUJQLMJBK-UHFFFAOYSA-N 0 0 412.515 5.241 50 5 HKBARN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000003449924 568905306 /nfs/dbraw/zinc/90/53/06/568905306.db2.gz UAIJWDJTXKDLCR-UHFFFAOYSA-N 0 0 409.298 5.472 50 5 HKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000003464639 568906794 /nfs/dbraw/zinc/90/67/94/568906794.db2.gz SCGDJWWDEGQYRM-UHFFFAOYSA-N 0 0 418.499 5.751 50 5 HKBARN COc1ccc(-c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)o2)cc1 ZINC000003516650 560596005 /nfs/dbraw/zinc/59/60/05/560596005.db2.gz LEBYOAUFVNLNFG-UHFFFAOYSA-N 0 0 416.458 5.297 50 5 HKBARN O=C(Nc1ccc(F)cc1F)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003584593 568917539 /nfs/dbraw/zinc/91/75/39/568917539.db2.gz ONLLKPUAPQPSRW-UHFFFAOYSA-N 0 0 416.767 5.010 50 5 HKBARN O=C(Nc1cccc(Cl)c1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003584623 568917545 /nfs/dbraw/zinc/91/75/45/568917545.db2.gz PNZKYNOVDUSBPF-UHFFFAOYSA-N 0 0 415.232 5.385 50 5 HKBARN CCOc1cc(-c2cc(C)c3c(ccc4ccccc43)n2)cc(Br)c1O ZINC000003616851 568864327 /nfs/dbraw/zinc/86/43/27/568864327.db2.gz URZMYGWYRVRWBJ-UHFFFAOYSA-N 0 0 408.295 6.230 50 5 HKBARN CCOC(=O)c1sc2cc([N+](=O)[O-])cc(Sc3ccccc3)c2c1NC(C)=O ZINC000003617971 568919830 /nfs/dbraw/zinc/91/98/30/568919830.db2.gz KAWZYQJKVRCKAE-UHFFFAOYSA-N 0 0 416.480 5.096 50 5 HKBARN Nc1c(C(=O)Nc2ccccc2)sc2cc([N+](=O)[O-])cc(Sc3ccccc3)c12 ZINC000003617974 568919929 /nfs/dbraw/zinc/91/99/29/568919929.db2.gz OUPVCLMTQABPOU-UHFFFAOYSA-N 0 0 421.503 5.795 50 5 HKBARN CCCCN1c2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3cccc(C)c3)c2C1=O ZINC000003619082 568919992 /nfs/dbraw/zinc/91/99/92/568919992.db2.gz CVWRWTAGJMIGDG-UHFFFAOYSA-N 0 0 418.449 6.248 50 5 HKBARN CCCCN1c2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccc(C)cc3)c2C1=O ZINC000003619096 568919999 /nfs/dbraw/zinc/91/99/99/568919999.db2.gz LHPFGKLNGNDAHU-UHFFFAOYSA-N 0 0 418.449 6.248 50 5 HKBARN O=[N+]([O-])c1cc(Oc2ccc(Br)cc2)c2c(c1)Oc1ccccc1C=C2 ZINC000003620558 568920664 /nfs/dbraw/zinc/92/06/64/568920664.db2.gz LMGPKFDUHQILAM-UHFFFAOYSA-N 0 0 410.223 6.426 50 5 HKBARN Cc1ccc(C(=O)Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1[N+](=O)[O-] ZINC000003622642 568920679 /nfs/dbraw/zinc/92/06/79/568920679.db2.gz MQWBCHXHXHTUMU-UHFFFAOYSA-N 0 0 419.220 5.617 50 5 HKBARN c1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1cccc2ccccc21 ZINC000003635872 568865139 /nfs/dbraw/zinc/86/51/39/568865139.db2.gz FBXONFUCXZEBTJ-UHFFFAOYSA-N 0 0 403.485 6.360 50 5 HKBARN c1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc2ccccc2c1 ZINC000003635874 568865033 /nfs/dbraw/zinc/86/50/33/568865033.db2.gz AYJNLKKZUGULOG-UHFFFAOYSA-N 0 0 403.485 6.360 50 5 HKBARN Cc1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(C)c2C)c1C ZINC000003662999 568923683 /nfs/dbraw/zinc/92/36/83/568923683.db2.gz JSHZUSLOOOKHPC-UHFFFAOYSA-N 0 0 413.481 6.259 50 5 HKBARN O=C(Nc1cc(Cl)ccc1Cl)c1c(Cl)nc(Cl)c([N+](=O)[O-])c1Cl ZINC000003671694 568924553 /nfs/dbraw/zinc/92/45/53/568924553.db2.gz RKQJJQKSYSQFLB-UHFFFAOYSA-N 0 0 415.447 5.509 50 5 HKBARN Cc1cc(-c2ccc(C=Cc3cc(C(F)(F)F)nc(=O)[nH]3)o2)c(C)c([N+](=O)[O-])c1 ZINC000003833697 568927102 /nfs/dbraw/zinc/92/71/02/568927102.db2.gz RGKBURHDVYJHCV-ONEGZZNKSA-N 0 0 405.332 5.156 50 5 HKBARN O=c1nc(C(F)(F)F)cc(C=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)[nH]1 ZINC000003833698 568927078 /nfs/dbraw/zinc/92/70/78/568927078.db2.gz QTVXHEFPLMCCJI-HNQUOIGGSA-N 0 0 411.723 5.193 50 5 HKBARN O=c1nc(C(F)(F)F)cc(C=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)[nH]1 ZINC000003833707 568927099 /nfs/dbraw/zinc/92/70/99/568927099.db2.gz BEGQZTUYONETGM-NSCUHMNNSA-N 0 0 411.723 5.193 50 5 HKBARN CC(C)(C)c1cc2nc3c(=O)c(C(C)(C)C)cc(C(C)(C)C)c-3oc2c(C(C)(C)C)c1 ZINC000003846789 557500379 /nfs/dbraw/zinc/50/03/79/557500379.db2.gz OGSCXTIYBPFZTR-UHFFFAOYSA-N 0 0 421.625 7.483 50 5 HKBARN Cc1ccc2[nH]c3c(cc(Nc4ccccc4)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000004007973 557504794 /nfs/dbraw/zinc/50/47/94/557504794.db2.gz ZAZQRBPDBAGRNL-UHFFFAOYSA-N 0 0 418.452 5.993 50 5 HKBARN O=[N+]([O-])c1ccccc1C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 ZINC000004012179 568933462 /nfs/dbraw/zinc/93/34/62/568933462.db2.gz RSNUEANQJJSNHP-UHFFFAOYSA-N 0 0 406.441 5.995 50 5 HKBARN O=[N+]([O-])c1cccc(C2=Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 ZINC000004012215 568933345 /nfs/dbraw/zinc/93/33/45/568933345.db2.gz FPHUAHWPGYHNDC-UHFFFAOYSA-N 0 0 406.441 5.995 50 5 HKBARN O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000004014275 568933534 /nfs/dbraw/zinc/93/35/34/568933534.db2.gz AYSRUFJKFMQKNN-UHFFFAOYSA-N 0 0 416.264 5.766 50 5 HKBARN O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 ZINC000004014295 568933566 /nfs/dbraw/zinc/93/35/66/568933566.db2.gz BAVSFUDKNUUVCY-UHFFFAOYSA-N 0 0 408.285 5.899 50 5 HKBARN O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000004014308 568933453 /nfs/dbraw/zinc/93/34/53/568933453.db2.gz SUALNOHHZKWAQQ-UHFFFAOYSA-N 0 0 416.264 5.766 50 5 HKBARN O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 ZINC000004014477 568933560 /nfs/dbraw/zinc/93/35/60/568933560.db2.gz PXKNWLPOGFDTEA-UHFFFAOYSA-N 0 0 418.837 5.153 50 5 HKBARN O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004020333 568933403 /nfs/dbraw/zinc/93/34/03/568933403.db2.gz ODUCUDHVMOIAPU-UHFFFAOYSA-N 0 0 419.245 5.799 50 5 HKBARN O=c1oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2c2ccccc21 ZINC000004023994 569060763 /nfs/dbraw/zinc/06/07/63/569060763.db2.gz ZWLDGWJZJAKQSE-UHFFFAOYSA-N 0 0 408.453 6.104 50 5 biogenic HKBARN Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1 ZINC000004031474 568934702 /nfs/dbraw/zinc/93/47/02/568934702.db2.gz DLUCCDUZRSKQQZ-UHFFFAOYSA-N 0 0 415.474 5.946 50 5 HKBARN CCCCCC1CCC(c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000004036615 568935532 /nfs/dbraw/zinc/93/55/32/568935532.db2.gz QHFVMTHXTGDEDD-UHFFFAOYSA-N 0 0 417.531 5.807 50 5 HKBARN CCCCCC1CCC(c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)CC1 ZINC000004036636 568935504 /nfs/dbraw/zinc/93/55/04/568935504.db2.gz ATMZCWVTRRSTCO-UHFFFAOYSA-N 0 0 413.547 5.399 50 5 HKBARN CCCCCCc1cc2c(cc1OCc1ccccc1OC)oc(=O)c1ccccc12 ZINC000004043560 568936098 /nfs/dbraw/zinc/93/60/98/568936098.db2.gz AERZNJXXXSSFFJ-UHFFFAOYSA-N 0 0 416.517 6.657 50 5 biogenic HKBARN CCOP(=O)(OCC)[C@H](Nc1ccc(C(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004045867 568936181 /nfs/dbraw/zinc/93/61/81/568936181.db2.gz TUQRLCBTVICWRE-FQEVSTJZSA-N 0 0 406.419 6.095 50 5 HKBARN CCOP(=O)(OCC)[C@@H](Nc1ccc(C(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004045868 568936189 /nfs/dbraw/zinc/93/61/89/568936189.db2.gz TUQRLCBTVICWRE-HXUWFJFHSA-N 0 0 406.419 6.095 50 5 HKBARN CC(C)c1ccc(N[C@H](c2ccc([N+](=O)[O-])cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000004045874 568935757 /nfs/dbraw/zinc/93/57/57/568935757.db2.gz MEKXWLZWKDKYAF-GUDAYLKISA-N 0 0 404.403 5.847 50 5 HKBARN O=[N+]([O-])C[C@@H]1c2ccccc2N(Cc2ccccc2)C=C1c1ccc2ccccc2n1 ZINC000004046858 132270200 /nfs/dbraw/zinc/27/02/00/132270200.db2.gz AZBHHSYYOLZHNA-JOCHJYFZSA-N 0 0 407.473 5.656 50 5 HKBARN O=[N+]([O-])C[C@H]1c2ccccc2N(Cc2ccccc2)C=C1c1ccc2ccccc2n1 ZINC000004046860 132270134 /nfs/dbraw/zinc/27/01/34/132270134.db2.gz AZBHHSYYOLZHNA-QFIPXVFZSA-N 0 0 407.473 5.656 50 5 HKBARN Cc1cccc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1C ZINC000004050022 568880509 /nfs/dbraw/zinc/88/05/09/568880509.db2.gz AMBJGVUMAPATFW-UHFFFAOYSA-N 0 0 412.898 6.269 50 5 HKBARN Cc1ccc(Sc2ccc(COC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 ZINC000004050042 568880524 /nfs/dbraw/zinc/88/05/24/568880524.db2.gz XTHGFPSKJRHIQQ-UHFFFAOYSA-N 0 0 413.882 6.065 50 5 HKBARN Cc1ccc(-c2nc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cs2)cc1 ZINC000004051096 568880534 /nfs/dbraw/zinc/88/05/34/568880534.db2.gz FUFYRNAWYRBMOO-UHFFFAOYSA-N 0 0 407.417 5.700 50 5 HKBARN O=[N+]([O-])c1ccccc1/C=C/c1nc2c(cccc2C(F)(F)F)c2c1CCS2 ZINC000004052167 568936505 /nfs/dbraw/zinc/93/65/05/568936505.db2.gz UJAOZPBJMQVBEV-CMDGGOBGSA-N 0 0 402.397 5.980 50 5 HKBARN Cc1cc(Nc2ncnc(Nc3ccc(C(C)C)c(C)c3)c2[N+](=O)[O-])ccc1C(C)C ZINC000004054437 568880871 /nfs/dbraw/zinc/88/08/71/568880871.db2.gz MQWRILODXJTLQK-UHFFFAOYSA-N 0 0 419.529 6.736 50 5 HKBARN Cc1cccc(C(=O)OCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 ZINC000004060543 568936883 /nfs/dbraw/zinc/93/68/83/568936883.db2.gz VILGVODUUUCJLD-UHFFFAOYSA-N 0 0 413.882 6.065 50 5 HKBARN O=C(NC1CCCCC1)OCc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004060549 568936943 /nfs/dbraw/zinc/93/69/43/568936943.db2.gz OLNOBGHZEMISPV-UHFFFAOYSA-N 0 0 420.918 5.958 50 5 HKBARN O=C(OCc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000004060551 568936912 /nfs/dbraw/zinc/93/69/12/568936912.db2.gz FNRBKXFIUTZWJZ-UHFFFAOYSA-N 0 0 401.390 5.381 50 5 HKBARN O=C(Nc1cccc(Cl)c1)OCc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000004060553 568937011 /nfs/dbraw/zinc/93/70/11/568937011.db2.gz DJKFUFWNUFVQDC-UHFFFAOYSA-N 0 0 414.870 6.148 50 5 HKBARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004063049 568881785 /nfs/dbraw/zinc/88/17/85/568881785.db2.gz CEZKJSDJUFKNLJ-UHFFFAOYSA-N 0 0 410.842 5.172 50 5 HKBARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004063053 568881738 /nfs/dbraw/zinc/88/17/38/568881738.db2.gz FWIZQCCFOMEBAO-UHFFFAOYSA-N 0 0 410.842 5.172 50 5 HKBARN Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000004063484 568937378 /nfs/dbraw/zinc/93/73/78/568937378.db2.gz TXGWRQDWWDGWKO-QFIPXVFZSA-N 0 0 416.506 5.451 50 5 HKBARN Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000004063486 568937422 /nfs/dbraw/zinc/93/74/22/568937422.db2.gz TXGWRQDWWDGWKO-JOCHJYFZSA-N 0 0 416.506 5.451 50 5 HKBARN Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000004070124 568936934 /nfs/dbraw/zinc/93/69/34/568936934.db2.gz QSTKJWSPLJSATB-UHFFFAOYSA-N 0 0 411.527 5.416 50 5 HKBARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000004071289 568882119 /nfs/dbraw/zinc/88/21/19/568882119.db2.gz CRLWPQGHCRRSEU-UHFFFAOYSA-N 0 0 400.268 5.339 50 5 HKBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000004078785 568882896 /nfs/dbraw/zinc/88/28/96/568882896.db2.gz NHFJKKISDNQGOQ-UHFFFAOYSA-N 0 0 402.475 5.652 50 5 HKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004078789 568882867 /nfs/dbraw/zinc/88/28/67/568882867.db2.gz IMFUWBUUXJQYQO-UHFFFAOYSA-N 0 0 400.765 5.734 50 5 HKBARN CSc1nc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2s1 ZINC000004079240 568882732 /nfs/dbraw/zinc/88/27/32/568882732.db2.gz WWNOYMKMNDBNBL-UHFFFAOYSA-N 0 0 401.494 5.393 50 5 HKBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cc2ccccc2)cc1 ZINC000004079323 568938809 /nfs/dbraw/zinc/93/88/09/568938809.db2.gz XPZGAUPKBIRCRG-UHFFFAOYSA-N 0 0 415.474 5.561 50 5 HKBARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004079357 568938786 /nfs/dbraw/zinc/93/87/86/568938786.db2.gz IFCTWWURXPONBJ-UHFFFAOYSA-N 0 0 411.439 5.144 50 5 HKBARN COc1ccc(OCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000004085068 568940151 /nfs/dbraw/zinc/94/01/51/568940151.db2.gz DNIBLMFIZHDTKV-UHFFFAOYSA-N 0 0 401.871 5.987 50 5 HKBARN O=[N+]([O-])c1cc(CSc2ccc(F)cc2)ccc1Sc1ccc(Cl)cc1 ZINC000004085087 568940143 /nfs/dbraw/zinc/94/01/43/568940143.db2.gz BLYHGRGBRYPVIK-UHFFFAOYSA-N 0 0 405.903 6.831 50 5 HKBARN Cc1ccc(SCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000004085089 568940168 /nfs/dbraw/zinc/94/01/68/568940168.db2.gz XPPBRRHXNZDXEI-UHFFFAOYSA-N 0 0 401.940 7.000 50 5 HKBARN Cc1ccc(Sc2ccc(CSc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 ZINC000004085090 568940137 /nfs/dbraw/zinc/94/01/37/568940137.db2.gz ASOJNLKLICKAKO-UHFFFAOYSA-N 0 0 401.940 7.000 50 5 HKBARN CC(C)(C)c1ccc(Oc2ncnc(Oc3ccc(C(C)(C)C)cc3)c2[N+](=O)[O-])cc1 ZINC000004106755 568943480 /nfs/dbraw/zinc/94/34/80/568943480.db2.gz OYUAFKFPLORNGI-UHFFFAOYSA-N 0 0 421.497 6.564 50 5 HKBARN Cc1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1C(=O)N2Cc1ccc(C(C)(C)C)cc1 ZINC000004107928 568943589 /nfs/dbraw/zinc/94/35/89/568943589.db2.gz CSWROMJTXZIFFE-UHFFFAOYSA-N 0 0 416.477 6.153 50 5 HKBARN CCCCOc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1 ZINC000004108214 568943771 /nfs/dbraw/zinc/94/37/71/568943771.db2.gz NLLMIENAZBGYOY-UHFFFAOYSA-N 0 0 402.450 5.081 50 5 HKBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000004109804 568942606 /nfs/dbraw/zinc/94/26/06/568942606.db2.gz IURZVZRCCUCBQY-UHFFFAOYSA-N 0 0 413.783 5.120 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000004109863 132271449 /nfs/dbraw/zinc/27/14/49/132271449.db2.gz NRYRKNGQIHXTDO-JXMROGBWSA-N 0 0 419.403 5.256 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004115586 568944065 /nfs/dbraw/zinc/94/40/65/568944065.db2.gz BTZBXOAFFNUKRS-UHFFFAOYSA-N 0 0 410.473 6.007 50 5 HKBARN CCn1c2ccccc2c2c1ccc1nc3c4c5ccccc5n(CC)c4ccc3nc21 ZINC000004115755 557515666 /nfs/dbraw/zinc/51/56/66/557515666.db2.gz BMJREEQNMLDGDQ-UHFFFAOYSA-N 0 0 414.512 7.039 50 5 HKBARN CCOc1ccc(Nc2nc(Nc3cccc4ccccc43)nc(C)c2[N+](=O)[O-])cc1 ZINC000004117087 568944400 /nfs/dbraw/zinc/94/44/00/568944400.db2.gz ZGVCGALFLWBWRB-UHFFFAOYSA-N 0 0 415.453 5.732 50 5 HKBARN Cc1ccc2[nH]c3c(cc(N4CCCCC4)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000004117302 132271410 /nfs/dbraw/zinc/27/14/10/132271410.db2.gz NUBDLLVJHXDMFX-UHFFFAOYSA-N 0 0 410.473 5.240 50 5 HKBARN Cc1cccc2oc3cc(N4CCCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 ZINC000004117304 132271458 /nfs/dbraw/zinc/27/14/58/132271458.db2.gz UIEJUCDEPBPEAM-UHFFFAOYSA-N 0 0 410.473 5.240 50 5 HKBARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000004122458 568944653 /nfs/dbraw/zinc/94/46/53/568944653.db2.gz ATYUKLHJUKWJJF-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN Cc1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000004144595 568916372 /nfs/dbraw/zinc/91/63/72/568916372.db2.gz AISAKCKTNZOTLK-UHFFFAOYSA-N 0 0 402.479 5.443 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3cc(F)ccc3F)n2-c2ccccc2)cc1 ZINC000004144606 568916403 /nfs/dbraw/zinc/91/64/03/568916403.db2.gz AJSCUWFGWMNKDQ-UHFFFAOYSA-N 0 0 424.432 5.413 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000004144678 568916360 /nfs/dbraw/zinc/91/63/60/568916360.db2.gz LHJFPMZSIYZEIR-UHFFFAOYSA-N 0 0 422.897 5.788 50 5 HKBARN Cc1ccccc1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000004144680 568916383 /nfs/dbraw/zinc/91/63/83/568916383.db2.gz COILRXOVVZTKHI-UHFFFAOYSA-N 0 0 402.479 5.443 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(F)c(F)c3)n2-c2ccccc2)cc1 ZINC000004144684 568916303 /nfs/dbraw/zinc/91/63/03/568916303.db2.gz MMSVBIIIXYFKHP-UHFFFAOYSA-N 0 0 424.432 5.413 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(F)cc3F)n2-c2ccccc2)cc1 ZINC000004144688 568916350 /nfs/dbraw/zinc/91/63/50/568916350.db2.gz RAUAIPKKVULBPB-UHFFFAOYSA-N 0 0 424.432 5.413 50 5 HKBARN COc1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000004145380 568916518 /nfs/dbraw/zinc/91/65/18/568916518.db2.gz FIZCYUJTFMPWGH-UHFFFAOYSA-N 0 0 418.478 5.143 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000004145382 568916439 /nfs/dbraw/zinc/91/64/39/568916439.db2.gz LVJXKPRCYJUBAA-UHFFFAOYSA-N 0 0 406.442 5.274 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccccc2)cc1 ZINC000004145384 568916477 /nfs/dbraw/zinc/91/64/77/568916477.db2.gz BJBVVLWIXOBYFB-UHFFFAOYSA-N 0 0 424.432 5.413 50 5 HKBARN COc1cccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000004145386 568916432 /nfs/dbraw/zinc/91/64/32/568916432.db2.gz CGMNMLRGQIMPDY-UHFFFAOYSA-N 0 0 418.478 5.143 50 5 HKBARN Cc1ccc(C)c(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000004145392 568916511 /nfs/dbraw/zinc/91/65/11/568916511.db2.gz RWZRPGDWUYBGDV-UHFFFAOYSA-N 0 0 416.506 5.752 50 5 HKBARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004150161 568946777 /nfs/dbraw/zinc/94/67/77/568946777.db2.gz FMPKYVKTXUKJSR-UHFFFAOYSA-N 0 0 406.829 5.352 50 5 HKBARN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3CC(c4ccccc4)=NN3c3ccccc3)o2)c1 ZINC000004159649 568946945 /nfs/dbraw/zinc/94/69/45/568946945.db2.gz WDRWNHOSZQAAJP-QHCPKHFHSA-N 0 0 409.445 6.211 50 5 HKBARN O=[N+]([O-])c1cccc(-c2ccc([C@H]3CC(c4ccccc4)=NN3c3ccccc3)o2)c1 ZINC000004159650 568946976 /nfs/dbraw/zinc/94/69/76/568946976.db2.gz WDRWNHOSZQAAJP-HSZRJFAPSA-N 0 0 409.445 6.211 50 5 HKBARN O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000004173233 568948355 /nfs/dbraw/zinc/94/83/55/568948355.db2.gz MBFBVPIJEIHMAK-UHFFFAOYSA-N 0 0 401.447 5.638 50 5 HKBARN C[C@H](OC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2ccccc2s1 ZINC000004174111 568948250 /nfs/dbraw/zinc/94/82/50/568948250.db2.gz VTLNASAGAXVLAB-ZDUSSCGKSA-N 0 0 401.443 5.474 50 5 aggregator HKBARN C[C@@H](OC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2ccccc2s1 ZINC000004174112 568948238 /nfs/dbraw/zinc/94/82/38/568948238.db2.gz VTLNASAGAXVLAB-CYBMUJFWSA-N 0 0 401.443 5.474 50 5 aggregator HKBARN Cc1ccc(-c2csc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)n2)o1 ZINC000004174159 568948507 /nfs/dbraw/zinc/94/85/07/568948507.db2.gz UOVKGOLHGGBVMD-UHFFFAOYSA-N 0 0 402.431 5.223 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 ZINC000004180064 568949178 /nfs/dbraw/zinc/94/91/78/568949178.db2.gz KHBZTQZQESNXJS-VWLOTQADSA-N 0 0 408.457 6.028 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 ZINC000004180066 568948361 /nfs/dbraw/zinc/94/83/61/568948361.db2.gz KHBZTQZQESNXJS-RUZDIDTESA-N 0 0 408.457 6.028 50 5 HKBARN O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000004181088 568949383 /nfs/dbraw/zinc/94/93/83/568949383.db2.gz OKJONUYSACGFTP-UHFFFAOYSA-N 0 0 412.789 5.152 50 5 HKBARN Cc1c(CC(Cl)(Cl)Cl)c2c(n1-c1ccccc1[N+](=O)[O-])CCCC2=O ZINC000004183939 568949739 /nfs/dbraw/zinc/94/97/39/568949739.db2.gz SWXHMXZUKNDPTH-UHFFFAOYSA-N 0 0 401.677 5.126 50 5 HKBARN Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004189692 132272683 /nfs/dbraw/zinc/27/26/83/132272683.db2.gz XMVKAEUBBOWCNE-UHFFFAOYSA-N 0 0 419.481 5.334 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000004192865 568950572 /nfs/dbraw/zinc/95/05/72/568950572.db2.gz OTLGKOCBGZPXKC-UHFFFAOYSA-N 0 0 400.356 5.384 50 5 HKBARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004194733 568934880 /nfs/dbraw/zinc/93/48/80/568934880.db2.gz CKRMZTUGNCHQCM-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN CCCOc1ccc(C=C2c3cc([N+](=O)[O-])ccc3-c3ccc([N+](=O)[O-])cc32)cc1 ZINC000004199681 568950291 /nfs/dbraw/zinc/95/02/91/568950291.db2.gz NRUMRLVLWMVGMP-UHFFFAOYSA-N 0 0 402.406 5.861 50 5 HKBARN c1ccc(-c2nnc(CSc3nc4ccccc4c4nc5ccccc5n43)o2)cc1 ZINC000004246516 568953649 /nfs/dbraw/zinc/95/36/49/568953649.db2.gz NSKQSDHTWMTICC-UHFFFAOYSA-N 0 0 409.474 5.378 50 5 HKBARN C[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)Nc1ccccc1F ZINC000004246550 568953613 /nfs/dbraw/zinc/95/36/13/568953613.db2.gz QJJLKJRHQTVQHZ-AWEZNQCLSA-N 0 0 416.481 5.294 50 5 HKBARN C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)Nc1ccccc1F ZINC000004246551 568953487 /nfs/dbraw/zinc/95/34/87/568953487.db2.gz QJJLKJRHQTVQHZ-CQSZACIVSA-N 0 0 416.481 5.294 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 ZINC000004247896 568953536 /nfs/dbraw/zinc/95/35/36/568953536.db2.gz BJGQAAKCHVQAQC-GHTZIAJQSA-N 0 0 409.829 5.392 50 5 HKBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(NC3CCCCC3)c12 ZINC000004255717 568955487 /nfs/dbraw/zinc/95/54/87/568955487.db2.gz WROZYKPIMWQMDD-UHFFFAOYSA-N 0 0 410.473 5.686 50 5 HKBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(Oc3ccccc3)c12 ZINC000004256352 568955481 /nfs/dbraw/zinc/95/54/81/568955481.db2.gz XRINKPPYEZQIHT-UHFFFAOYSA-N 0 0 405.409 5.733 50 5 HKBARN CCCC1CCC(c2ccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2)CC1 ZINC000004256644 568955526 /nfs/dbraw/zinc/95/55/26/568955526.db2.gz DJZDUEIHOHMTGD-UHFFFAOYSA-N 0 0 423.538 6.531 50 5 HKBARN Cc1cc(Cl)ccc1-n1c(=O)c2ccccc2nc1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004257445 568955514 /nfs/dbraw/zinc/95/55/14/568955514.db2.gz IHXCOULOEFQSKO-MDWZMJQESA-N 0 0 417.852 5.426 50 5 HKBARN Cc1c(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000004267177 568956252 /nfs/dbraw/zinc/95/62/52/568956252.db2.gz ZDWCLLHKPWYDJU-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN O=C(CCC1CCCC1)Nc1c2ccccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004267889 568956424 /nfs/dbraw/zinc/95/64/24/568956424.db2.gz DMUDOTKFPBOSNX-UHFFFAOYSA-N 0 0 421.453 5.502 50 5 HKBARN Cc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004267937 568956390 /nfs/dbraw/zinc/95/63/90/568956390.db2.gz NBYCNNOKYWLBLJ-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN Cc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004267939 568956410 /nfs/dbraw/zinc/95/64/10/568956410.db2.gz IJRMNRLGEKSKGO-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN O=C(CC1CCCC1)Nc1c2ccccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004267956 568956396 /nfs/dbraw/zinc/95/63/96/568956396.db2.gz BPNCOUSXQIWXDN-UHFFFAOYSA-N 0 0 407.426 5.112 50 5 HKBARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004268013 568956414 /nfs/dbraw/zinc/95/64/14/568956414.db2.gz GVEOKNKITDPYEX-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004268014 568956432 /nfs/dbraw/zinc/95/64/32/568956432.db2.gz QHDQAFYBUBWLEZ-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN O=C(Cn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCCCCC1 ZINC000004272474 568957577 /nfs/dbraw/zinc/95/75/77/568957577.db2.gz VAPXKJVDDZUSNO-UHFFFAOYSA-N 0 0 423.538 5.244 50 5 HKBARN O=C(Cn1cc(SCc2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCCCCC1 ZINC000004272475 568957538 /nfs/dbraw/zinc/95/75/38/568957538.db2.gz AOQGMOKPZICTPA-UHFFFAOYSA-N 0 0 423.538 5.244 50 5 HKBARN Cc1ccc2sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)nc2c1C ZINC000004275356 568957969 /nfs/dbraw/zinc/95/79/69/568957969.db2.gz NYPJHPHURFSVJS-UHFFFAOYSA-N 0 0 400.459 5.425 50 5 HKBARN CCOC(=O)c1c2cc(OCc3cccc([N+](=O)[O-])c3)ccc2oc1-c1ccccc1 ZINC000004278992 568958379 /nfs/dbraw/zinc/95/83/79/568958379.db2.gz OZFIKWCWPGBQJO-UHFFFAOYSA-N 0 0 417.417 5.764 50 5 HKBARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004290076 568958885 /nfs/dbraw/zinc/95/88/85/568958885.db2.gz PBWVWSANHIYKCI-QHHAFSJGSA-N 0 0 416.058 5.316 50 5 HKBARN Cc1cccc(Oc2coc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc3c2=O)c1 ZINC000004290422 568958820 /nfs/dbraw/zinc/95/88/20/568958820.db2.gz ZLCWCWWBDDEANH-UHFFFAOYSA-N 0 0 417.373 5.021 50 5 HKBARN O=[N+]([O-])c1ccc(N2CCSCC2)cc1Oc1nc2cc(Cl)ccc2s1 ZINC000004300356 132274436 /nfs/dbraw/zinc/27/44/36/132274436.db2.gz ZLWKAJJUPLQJEF-UHFFFAOYSA-N 0 0 407.904 5.203 50 5 HKBARN CC1CCN(c2ccc([N+](=O)[O-])c(Oc3nc4cc(Cl)ccc4s3)c2)CC1 ZINC000004300357 132274471 /nfs/dbraw/zinc/27/44/71/132274471.db2.gz RHBBXNPPVSMAQZ-UHFFFAOYSA-N 0 0 403.891 5.887 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000004309609 568959985 /nfs/dbraw/zinc/95/99/85/568959985.db2.gz IZLWWNUATGXVOO-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000004309610 568959984 /nfs/dbraw/zinc/95/99/84/568959984.db2.gz IZLWWNUATGXVOO-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000004309625 568960147 /nfs/dbraw/zinc/96/01/47/568960147.db2.gz QJKKQQJLBPQUJM-FXAWDEMLSA-N 0 0 411.870 5.552 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000004309626 568960148 /nfs/dbraw/zinc/96/01/48/568960148.db2.gz QJKKQQJLBPQUJM-PXNSSMCTSA-N 0 0 411.870 5.552 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000004309633 568960100 /nfs/dbraw/zinc/96/01/00/568960100.db2.gz CPHXNEOTEMTONU-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000004309634 568960127 /nfs/dbraw/zinc/96/01/27/568960127.db2.gz CPHXNEOTEMTONU-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN O=c1c2ccccc2c2nc3ccc4c(=O)c5ccccc5c5nc6ccc1c2c6c3c45 ZINC000004309761 557539088 /nfs/dbraw/zinc/53/90/88/557539088.db2.gz KJPJZBYFYBYKPK-UHFFFAOYSA-N 0 0 408.416 5.583 50 5 HKBARN O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000004320313 132275252 /nfs/dbraw/zinc/27/52/52/132275252.db2.gz DVVOTUXKOYRRNA-JYWFKMLOSA-N 0 0 417.509 5.448 50 5 HKBARN O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000004321113 557844387 /nfs/dbraw/zinc/84/43/87/557844387.db2.gz NLYAREAPHOTWOV-UHFFFAOYSA-N 0 0 409.511 5.296 50 5 HKBARN O=[N+]([O-])c1cccc(-c2csc(Nc3cc(Cl)c(Cl)cc3Cl)n2)c1 ZINC000004322068 557843893 /nfs/dbraw/zinc/84/38/93/557843893.db2.gz LTVOLCHDAUXMAL-UHFFFAOYSA-N 0 0 400.674 6.422 50 5 HKBARN CCCCCC1CCC(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 ZINC000004322152 557843917 /nfs/dbraw/zinc/84/39/17/557843917.db2.gz BILFBWZSPUAQID-UHFFFAOYSA-N 0 0 419.525 7.166 50 5 HKBARN CC(C)(C)c1csc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000004323193 557844714 /nfs/dbraw/zinc/84/47/14/557844714.db2.gz BOLXTLBWWGSLIR-UHFFFAOYSA-N 0 0 407.395 5.427 50 5 HKBARN Cc1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000004323819 557844713 /nfs/dbraw/zinc/84/47/13/557844713.db2.gz USKYWSAPHYRZCZ-UHFFFAOYSA-N 0 0 412.898 6.269 50 5 HKBARN CCNc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC000004334665 558261857 /nfs/dbraw/zinc/26/18/57/558261857.db2.gz PWPDKJJPHSIMOA-GFCCVEGCSA-N 0 0 414.556 5.448 50 5 HKBARN CCNc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CC[C@H](C)C3 ZINC000004334666 558261913 /nfs/dbraw/zinc/26/19/13/558261913.db2.gz PWPDKJJPHSIMOA-LBPRGKRZSA-N 0 0 414.556 5.448 50 5 HKBARN COc1ccc(-c2c(C)c3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3oc2=O)cc1 ZINC000004340586 558424592 /nfs/dbraw/zinc/42/45/92/558424592.db2.gz PQNGRQFIJQYQFF-UHFFFAOYSA-N 0 0 417.417 5.264 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000004341436 558424273 /nfs/dbraw/zinc/42/42/73/558424273.db2.gz UCRSWGMPOQYYEH-UHFFFAOYSA-N 0 0 404.466 5.247 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2c(-c3ccccc3)nc3sc4ccccc4n32)cc1 ZINC000004344443 558424269 /nfs/dbraw/zinc/42/42/69/558424269.db2.gz OOHNTGRXWQYYTC-UHFFFAOYSA-N 0 0 403.488 6.275 50 5 HKBARN Cc1cccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000004358632 558446226 /nfs/dbraw/zinc/44/62/26/558446226.db2.gz VVHKVOJOUJENHY-UHFFFAOYSA-N 0 0 402.479 5.443 50 5 HKBARN COc1ccc(-n2c(=O)c3ccc4sc5ccccc5c5ccc(c2=O)c3c45)cc1 ZINC000004361537 558459490 /nfs/dbraw/zinc/45/94/90/558459490.db2.gz WXGUXPJHMBMPMD-UHFFFAOYSA-N 0 0 409.466 5.318 50 5 HKBARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000004368343 558469801 /nfs/dbraw/zinc/46/98/01/558469801.db2.gz CSHIGNMVWHCXNP-LADGPHEKSA-N 0 0 415.449 5.236 50 5 HKBARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000004368354 558469848 /nfs/dbraw/zinc/46/98/48/558469848.db2.gz CSHIGNMVWHCXNP-ISKFKSNPSA-N 0 0 415.449 5.236 50 5 HKBARN CCCCCc1ccc(-c2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000004394006 558484617 /nfs/dbraw/zinc/48/46/17/558484617.db2.gz GGWKMEAREHLJFB-UHFFFAOYSA-N 0 0 410.499 5.088 50 5 HKBARN O=c1c2ccccc2c2cc3ccc4c(=O)c5ccccc5c5cc6ccc1c2c6c3c45 ZINC000004404594 557552232 /nfs/dbraw/zinc/55/22/32/557552232.db2.gz LLBIOIRWAYBCKK-UHFFFAOYSA-N 0 0 406.440 6.793 50 5 HKBARN CCOC(=O)Cc1cc(-c2ccc(OC)c(OC)c2)nc2ccc3ccccc3c12 ZINC000004406347 558501383 /nfs/dbraw/zinc/50/13/83/558501383.db2.gz MGSOLVHHSIDABL-UHFFFAOYSA-N 0 0 401.462 5.178 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 ZINC000004414429 558524319 /nfs/dbraw/zinc/52/43/19/558524319.db2.gz OYDGCFCWZCCFAH-VWLOTQADSA-N 0 0 409.441 5.995 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 ZINC000004414430 558524548 /nfs/dbraw/zinc/52/45/48/558524548.db2.gz OYDGCFCWZCCFAH-RUZDIDTESA-N 0 0 409.441 5.995 50 5 HKBARN O=[N+]([O-])c1ccc(C2=Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000004416153 558525139 /nfs/dbraw/zinc/52/51/39/558525139.db2.gz VBZJCMRUTZOKGY-UHFFFAOYSA-N 0 0 406.441 5.995 50 5 HKBARN Cc1ccc2c(c1)N(C/C=C/c1ccccc1)c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000004419338 132277072 /nfs/dbraw/zinc/27/70/72/132277072.db2.gz ADRXAFCGXMKQML-VMPITWQZSA-N 0 0 403.394 5.769 50 5 HKBARN CCCCCc1ccc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)nc1 ZINC000004419980 558529924 /nfs/dbraw/zinc/52/99/24/558529924.db2.gz RAKMLGKENONPOV-UHFFFAOYSA-N 0 0 423.900 6.295 50 5 HKBARN CC1(C)c2ccccc2N(c2ccccc2)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Cl)c1O2 ZINC000004420020 558529907 /nfs/dbraw/zinc/52/99/07/558529907.db2.gz ZIWPJKNODLEZGU-XMMPIXPASA-N 0 0 418.880 6.480 50 5 HKBARN CC1(C)c2ccccc2N(c2ccccc2)[C@]12C=Cc1cc([N+](=O)[O-])cc(Cl)c1O2 ZINC000004420022 558530091 /nfs/dbraw/zinc/53/00/91/558530091.db2.gz ZIWPJKNODLEZGU-DEOSSOPVSA-N 0 0 418.880 6.480 50 5 HKBARN COc1cc2c(c([N+](=O)[O-])c1)O[C@@]1(C=C2)N(C)c2ccc3ccccc3c2C1(C)C ZINC000004420027 558530128 /nfs/dbraw/zinc/53/01/28/558530128.db2.gz WDUOQWXBPZARGN-XMMPIXPASA-N 0 0 402.450 5.286 50 5 HKBARN COc1cc2c(c([N+](=O)[O-])c1)O[C@]1(C=C2)N(C)c2ccc3ccccc3c2C1(C)C ZINC000004420030 558530050 /nfs/dbraw/zinc/53/00/50/558530050.db2.gz WDUOQWXBPZARGN-DEOSSOPVSA-N 0 0 402.450 5.286 50 5 HKBARN CN1c2ccc(F)cc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 ZINC000004420043 558530063 /nfs/dbraw/zinc/53/00/63/558530063.db2.gz IGITVRDONLISPY-LJQANCHMSA-N 0 0 419.250 5.026 50 5 HKBARN CN1c2ccc(F)cc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 ZINC000004420045 558530132 /nfs/dbraw/zinc/53/01/32/558530132.db2.gz IGITVRDONLISPY-IBGZPJMESA-N 0 0 419.250 5.026 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000004422824 558534010 /nfs/dbraw/zinc/53/40/10/558534010.db2.gz HBQQSLSOHHIOGP-UHFFFAOYSA-N 0 0 412.267 5.692 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004438531 558559910 /nfs/dbraw/zinc/55/99/10/558559910.db2.gz YFOBTKXZAUPGEA-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000004438533 558559961 /nfs/dbraw/zinc/55/99/61/558559961.db2.gz YFOBTKXZAUPGEA-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN CCOc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(C)c2[N+](=O)[O-])cc1 ZINC000004457704 558593143 /nfs/dbraw/zinc/59/31/43/558593143.db2.gz VNZFCRHQUJLTGA-UHFFFAOYSA-N 0 0 413.865 5.541 50 5 HKBARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)O2)cc1 ZINC000004471786 557556723 /nfs/dbraw/zinc/55/67/23/557556723.db2.gz JDGLTCQXHRJOIO-RGEXLXHISA-N 0 0 416.433 5.497 50 5 HKBARN Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004471788 557556802 /nfs/dbraw/zinc/55/68/02/557556802.db2.gz POGXQYKYICEZJA-BOPFTXTBSA-N 0 0 408.797 5.161 50 5 HKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2c(Cl)cccc12 ZINC000004474678 558599639 /nfs/dbraw/zinc/59/96/39/558599639.db2.gz UXPGTTRNGBYAOQ-UHFFFAOYSA-N 0 0 403.825 5.716 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 ZINC000004474679 558599622 /nfs/dbraw/zinc/59/96/22/558599622.db2.gz TZPGRADSQBYWJQ-UHFFFAOYSA-N 0 0 403.825 5.716 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2cccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)c2)cc1 ZINC000004480916 558602678 /nfs/dbraw/zinc/60/26/78/558602678.db2.gz RRZJYQJFVPPENG-UHFFFAOYSA-N 0 0 404.338 5.012 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000004491494 558607963 /nfs/dbraw/zinc/60/79/63/558607963.db2.gz HSRRJCHODPNTAD-UHFFFAOYSA-N 0 0 404.338 5.012 50 5 HKBARN C[C@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000004499386 132277710 /nfs/dbraw/zinc/27/77/10/132277710.db2.gz INIGPBWCFLSIBH-AWEZNQCLSA-N 0 0 404.308 5.521 50 5 HKBARN C[C@@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000004499387 132277756 /nfs/dbraw/zinc/27/77/56/132277756.db2.gz INIGPBWCFLSIBH-CQSZACIVSA-N 0 0 404.308 5.521 50 5 HKBARN Cc1ccc(N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)c2ccco2)cc1 ZINC000004504547 558615993 /nfs/dbraw/zinc/61/59/93/558615993.db2.gz LYJSNJQMDZJDFJ-UHFFFAOYSA-N 0 0 402.406 5.603 50 5 HKBARN O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1cc(F)c(F)cc1Cl ZINC000004512164 557561871 /nfs/dbraw/zinc/56/18/71/557561871.db2.gz WOLACPZTZFLGEQ-UHFFFAOYSA-N 0 0 401.821 5.599 50 5 HKBARN Cc1ccc(C)c2c1c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1 ZINC000004513642 557562269 /nfs/dbraw/zinc/56/22/69/557562269.db2.gz RNEUCFHQOJOWCX-UHFFFAOYSA-N 0 0 405.461 5.453 50 5 HKBARN Cc1cc2c3nc4ccccc4nc3n(Cc3nnc(-c4ccccc4)o3)c2c(C)c1 ZINC000004513646 558631520 /nfs/dbraw/zinc/63/15/20/558631520.db2.gz OVRZQGSRIGLWKQ-UHFFFAOYSA-N 0 0 405.461 5.453 50 5 HKBARN CCc1ccc(CCCCCCCCCCCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000004521486 558652126 /nfs/dbraw/zinc/65/21/26/558652126.db2.gz KTBRGUBCCOJFFI-UHFFFAOYSA-N 0 0 411.586 7.680 50 5 HKBARN CCCCCc1ccc(OCCCCn2cc([N+](=O)[O-])nc2C)c(CCCCC)c1 ZINC000004531249 568908358 /nfs/dbraw/zinc/90/83/58/568908358.db2.gz WJPLGEDIOOAHMB-UHFFFAOYSA-N 0 0 415.578 6.424 50 5 HKBARN O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1c(Cl)cccc1Cl ZINC000004542644 558663277 /nfs/dbraw/zinc/66/32/77/558663277.db2.gz DVGGLQHZRINJJC-UHFFFAOYSA-N 0 0 405.237 5.733 50 5 HKBARN O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(Cl)cc1Cl ZINC000004542656 558663273 /nfs/dbraw/zinc/66/32/73/558663273.db2.gz FMHJKHKYZQHBPG-UHFFFAOYSA-N 0 0 405.237 5.733 50 5 HKBARN O=C(CCc1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000004542716 558663265 /nfs/dbraw/zinc/66/32/65/558663265.db2.gz XMYFEYBIRGAHCN-UHFFFAOYSA-N 0 0 415.243 5.189 50 5 HKBARN O=C(CCc1ccc(-c2ccc(Br)cc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000004542719 558663281 /nfs/dbraw/zinc/66/32/81/558663281.db2.gz LBFRSXLFZWOLNK-UHFFFAOYSA-N 0 0 415.243 5.189 50 5 HKBARN CCOc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000004543848 558664099 /nfs/dbraw/zinc/66/40/99/558664099.db2.gz BATAKBMOVBRNLO-UHFFFAOYSA-N 0 0 409.916 7.774 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000004544123 558662026 /nfs/dbraw/zinc/66/20/26/558662026.db2.gz BIBXHDNYEXVTAR-UHFFFAOYSA-N 0 0 407.209 5.423 50 5 HKBARN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004549970 132278375 /nfs/dbraw/zinc/27/83/75/132278375.db2.gz VKKNSOOOMVLIPX-UHFFFAOYSA-N 0 0 401.850 5.491 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000004551398 558678395 /nfs/dbraw/zinc/67/83/95/558678395.db2.gz HKQGXIJWDFKKKP-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000004551399 558678368 /nfs/dbraw/zinc/67/83/68/558678368.db2.gz HKQGXIJWDFKKKP-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN Cc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1Cl ZINC000004553117 558678740 /nfs/dbraw/zinc/67/87/40/558678740.db2.gz YMHICQHHHIHJPQ-UHFFFAOYSA-N 0 0 408.797 5.150 50 5 HKBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000004571485 558745786 /nfs/dbraw/zinc/74/57/86/558745786.db2.gz XBHLRWYBHFCSFR-WYRIXSBYSA-N 0 0 409.467 5.470 50 5 HKBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000004571487 558745787 /nfs/dbraw/zinc/74/57/87/558745787.db2.gz XBHLRWYBHFCSFR-WLRWDXFRSA-N 0 0 409.467 5.470 50 5 HKBARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000004571491 558745871 /nfs/dbraw/zinc/74/58/71/558745871.db2.gz XBHLRWYBHFCSFR-NSPYISDASA-N 0 0 409.467 5.470 50 5 HKBARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000004571494 558745798 /nfs/dbraw/zinc/74/57/98/558745798.db2.gz XBHLRWYBHFCSFR-JEOXALJRSA-N 0 0 409.467 5.470 50 5 HKBARN O=C1N[C@H](c2c3ccccc3cc3ccccc32)Nc2scc(-c3ccccc3)c21 ZINC000004571787 558746272 /nfs/dbraw/zinc/74/62/72/558746272.db2.gz OQNYDOOMEHPKJM-DEOSSOPVSA-N 0 0 406.510 7.150 50 5 HKBARN O=C1N[C@@H](c2c3ccccc3cc3ccccc32)Nc2scc(-c3ccccc3)c21 ZINC000004571788 558746330 /nfs/dbraw/zinc/74/63/30/558746330.db2.gz OQNYDOOMEHPKJM-XMMPIXPASA-N 0 0 406.510 7.150 50 5 HKBARN Cc1c(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cccc1[N+](=O)[O-] ZINC000004575880 569255557 /nfs/dbraw/zinc/25/55/57/569255557.db2.gz DMTDTKMAMUQSCG-UHFFFAOYSA-N 0 0 415.449 6.087 50 5 HKBARN CCOc1cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc(OCC)c1OCC ZINC000004576249 558740536 /nfs/dbraw/zinc/74/05/36/558740536.db2.gz XMRCKBUTNXWCNW-UHFFFAOYSA-N 0 0 422.865 5.005 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)oc2c(C)c1 ZINC000004578215 558740496 /nfs/dbraw/zinc/74/04/96/558740496.db2.gz DBWZISLQDZONDA-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1[N+](=O)[O-] ZINC000004578222 558754968 /nfs/dbraw/zinc/75/49/68/558754968.db2.gz HRQJQIOUEPCAFW-UHFFFAOYSA-N 0 0 417.421 5.281 50 5 HKBARN O=[N+]([O-])c1cccc(OCCCCCCCCCCOc2cccc([N+](=O)[O-])c2)c1 ZINC000004582889 558765719 /nfs/dbraw/zinc/76/57/19/558765719.db2.gz CHPGQYKZPYAEGS-UHFFFAOYSA-N 0 0 416.474 6.082 50 5 HKBARN O=[N+]([O-])c1ccc(OCCCCCCCCCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004582890 558765868 /nfs/dbraw/zinc/76/58/68/558765868.db2.gz CQUFPXYJHPHCNN-UHFFFAOYSA-N 0 0 416.474 6.082 50 5 HKBARN O=[N+]([O-])c1ccccc1OCCCCCCCCCCOc1ccccc1[N+](=O)[O-] ZINC000004582891 558765756 /nfs/dbraw/zinc/76/57/56/558765756.db2.gz KDLBZNZCZBRZIX-UHFFFAOYSA-N 0 0 416.474 6.082 50 5 HKBARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000004591088 558829249 /nfs/dbraw/zinc/82/92/49/558829249.db2.gz KKSOKZAWZKSVEW-UHFFFAOYSA-N 0 0 413.861 5.761 50 5 HKBARN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(F)cc2)c1 ZINC000004593375 558828973 /nfs/dbraw/zinc/82/89/73/558828973.db2.gz WRBKGCMSRDLNHF-JLHYYAGUSA-N 0 0 401.397 5.427 50 5 HKBARN CCCCN1c2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3)c2C1=O ZINC000004593844 558831865 /nfs/dbraw/zinc/83/18/65/558831865.db2.gz HBHWODKAHGBFQL-UHFFFAOYSA-N 0 0 404.422 5.940 50 5 HKBARN O=[N+]([O-])c1cc(Oc2ccc(Cl)cc2Cl)c2c(c1)Oc1ccccc1C=C2 ZINC000004594577 558832325 /nfs/dbraw/zinc/83/23/25/558832325.db2.gz OEEKREBTSKNLIX-UHFFFAOYSA-N 0 0 400.217 6.970 50 5 HKBARN Cc1ccn2c(c1)nc(-c1cccs1)c2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004597452 558833259 /nfs/dbraw/zinc/83/32/59/558833259.db2.gz HSRLKVZFTGJKDA-UHFFFAOYSA-N 0 0 412.858 5.185 50 5 HKBARN CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)NC1CCCCC1 ZINC000004598452 558834353 /nfs/dbraw/zinc/83/43/53/558834353.db2.gz WJMARMAUEMZWAJ-NRFANRHFSA-N 0 0 418.566 5.355 50 5 HKBARN CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)NC1CCCCC1 ZINC000004598453 558834371 /nfs/dbraw/zinc/83/43/71/558834371.db2.gz WJMARMAUEMZWAJ-OAQYLSRUSA-N 0 0 418.566 5.355 50 5 HKBARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)[C@@H]1C ZINC000004598997 558834900 /nfs/dbraw/zinc/83/49/00/558834900.db2.gz QRUHLLDNFCFIAA-CPUCHLNUSA-N 0 0 404.539 5.253 50 5 HKBARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)[C@@H]1C ZINC000004598999 558834890 /nfs/dbraw/zinc/83/48/90/558834890.db2.gz QRUHLLDNFCFIAA-CKEIUWERSA-N 0 0 404.539 5.253 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1/N=c1\ssc2c1-c1cc(C)ccc1NC2(C)C ZINC000004599975 558829090 /nfs/dbraw/zinc/82/90/90/558829090.db2.gz GMVGMNCKHRYFEE-VZCXRCSSSA-N 0 0 413.524 5.595 50 5 HKBARN CCc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000004600284 558835482 /nfs/dbraw/zinc/83/54/82/558835482.db2.gz WDMPSLNKIAMTOU-UHFFFAOYSA-N 0 0 412.445 5.729 50 5 HKBARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000004601329 558840871 /nfs/dbraw/zinc/84/08/71/558840871.db2.gz BLUAFIRZVMXSGR-NRFANRHFSA-N 0 0 405.841 5.240 50 5 HKBARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000004601334 558841030 /nfs/dbraw/zinc/84/10/30/558841030.db2.gz BLUAFIRZVMXSGR-OAQYLSRUSA-N 0 0 405.841 5.240 50 5 HKBARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004602143 558843607 /nfs/dbraw/zinc/84/36/07/558843607.db2.gz AEUGGSHWTACQHM-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CCCCC1CCC(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 ZINC000004610480 558853735 /nfs/dbraw/zinc/85/37/35/558853735.db2.gz RVPWFEDOOQMGFQ-UHFFFAOYSA-N 0 0 405.498 6.776 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004611859 558852216 /nfs/dbraw/zinc/85/22/16/558852216.db2.gz YUNPISZIBVBYCZ-UHFFFAOYSA-N 0 0 403.825 5.716 50 5 HKBARN CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc2ccccc21 ZINC000004614622 557572702 /nfs/dbraw/zinc/57/27/02/557572702.db2.gz GMDCSAJBDZCULP-SGEDCAFJSA-N 0 0 406.441 5.248 50 5 HKBARN Cc1ccc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1[N+](=O)[O-] ZINC000004615279 558852390 /nfs/dbraw/zinc/85/23/90/558852390.db2.gz RNLQEVRQUOCAME-HNNXBMFYSA-N 0 0 411.255 5.293 50 5 HKBARN Cc1ccc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1[N+](=O)[O-] ZINC000004615280 558852329 /nfs/dbraw/zinc/85/23/29/558852329.db2.gz RNLQEVRQUOCAME-OAHLLOKOSA-N 0 0 411.255 5.293 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000004616635 558862799 /nfs/dbraw/zinc/86/27/99/558862799.db2.gz ZMGSPDHALSZGDV-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004616989 558852553 /nfs/dbraw/zinc/85/25/53/558852553.db2.gz IJUDAKGJRAGPSF-UHFFFAOYSA-N 0 0 406.225 5.426 50 5 HKBARN CSc1ccc([C@@H](CC(=O)c2ccc(F)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004619875 558852716 /nfs/dbraw/zinc/85/27/16/558852716.db2.gz FIYFAWGCXVSXIU-OAQYLSRUSA-N 0 0 410.470 5.882 50 5 HKBARN CSc1ccc([C@H](CC(=O)c2ccc(F)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004619879 558852757 /nfs/dbraw/zinc/85/27/57/558852757.db2.gz FIYFAWGCXVSXIU-NRFANRHFSA-N 0 0 410.470 5.882 50 5 HKBARN Clc1ccc(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc32)cc1 ZINC000004622454 132280322 /nfs/dbraw/zinc/28/03/22/132280322.db2.gz HNJGDZOCPVVODX-UHFFFAOYSA-N 0 0 412.924 6.346 50 5 HKBARN Clc1ccc(-c2nn3c4cc(N5CCOCC5)ccc4nc3c3ccccc32)cc1 ZINC000004622458 132280374 /nfs/dbraw/zinc/28/03/74/132280374.db2.gz YYEQVDJCDUGIAK-UHFFFAOYSA-N 0 0 414.896 5.193 50 5 HKBARN CCOc1ccc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc1OCC ZINC000004624218 558887811 /nfs/dbraw/zinc/88/78/11/558887811.db2.gz ZUQUWPUPUBAHMO-UHFFFAOYSA-N 0 0 420.512 6.914 50 5 HKBARN CCOc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004627658 558873610 /nfs/dbraw/zinc/87/36/10/558873610.db2.gz OHTVSZPYSUURPJ-OAQYLSRUSA-N 0 0 408.479 5.466 50 5 HKBARN CCOc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004627659 558873434 /nfs/dbraw/zinc/87/34/34/558873434.db2.gz OHTVSZPYSUURPJ-NRFANRHFSA-N 0 0 408.479 5.466 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3ccc(C)c(C)c3)c2)cc1C ZINC000004628582 558874044 /nfs/dbraw/zinc/87/40/44/558874044.db2.gz IUHVWHLUTSAJPI-UHFFFAOYSA-N 0 0 417.465 5.333 50 5 HKBARN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1ccccc1 ZINC000004644441 558983358 /nfs/dbraw/zinc/98/33/58/558983358.db2.gz TUIRQSPPPSQSES-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000004644782 558984060 /nfs/dbraw/zinc/98/40/60/558984060.db2.gz DIEPYMURISGNNR-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)nc1 ZINC000004644983 558984349 /nfs/dbraw/zinc/98/43/49/558984349.db2.gz RTTIVMIXGWEAGY-UHFFFAOYSA-N 0 0 403.482 5.950 50 5 HKBARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2)nc1 ZINC000004645002 558984275 /nfs/dbraw/zinc/98/42/75/558984275.db2.gz VUPJPQIMJLAILK-UHFFFAOYSA-N 0 0 419.481 5.650 50 5 HKBARN CCOc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000004646329 558957302 /nfs/dbraw/zinc/95/73/02/558957302.db2.gz CWTIZUIMKXREDB-UHFFFAOYSA-N 0 0 413.433 5.461 50 5 HKBARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 ZINC000004646333 558957277 /nfs/dbraw/zinc/95/72/77/558957277.db2.gz RRBLXJFSIZCPOP-UHFFFAOYSA-N 0 0 413.433 5.461 50 5 HKBARN Cc1cccc(C(C)C)c1NC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004650764 558868824 /nfs/dbraw/zinc/86/88/24/558868824.db2.gz OUUHABWIFNYZMM-UHFFFAOYSA-N 0 0 422.529 5.401 50 5 HKBARN Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000004652304 558868761 /nfs/dbraw/zinc/86/87/61/558868761.db2.gz YLUNPBMVXAAIFX-UHFFFAOYSA-N 0 0 411.461 5.988 50 5 HKBARN O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)ccc1Cl ZINC000004656750 558868311 /nfs/dbraw/zinc/86/83/11/558868311.db2.gz XLZHPXGYQYOQID-SIKLNZKXSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)ccc1Cl ZINC000004656751 558868364 /nfs/dbraw/zinc/86/83/64/558868364.db2.gz XLZHPXGYQYOQID-DENIHFKCSA-N 0 0 405.841 5.491 50 5 HKBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000004657351 558868488 /nfs/dbraw/zinc/86/84/88/558868488.db2.gz JKHMAVHGDZDRHE-UHFFFAOYSA-N 0 0 404.047 5.225 50 5 HKBARN O=[N+]([O-])c1c2nonc2c(N2CCCCC2)cc1Nc1cc(Cl)ccc1Cl ZINC000004658743 132281065 /nfs/dbraw/zinc/28/10/65/132281065.db2.gz YLZXBBLJVUBEHT-UHFFFAOYSA-N 0 0 408.245 5.172 50 5 HKBARN Cc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1Cl ZINC000004658750 558868499 /nfs/dbraw/zinc/86/84/99/558868499.db2.gz PEIDBWFHDNNICI-UHFFFAOYSA-N 0 0 401.854 5.217 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004659467 558867708 /nfs/dbraw/zinc/86/77/08/558867708.db2.gz CTWBENQWMQUTLI-JLHYYAGUSA-N 0 0 403.825 5.118 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1Cl ZINC000004659474 558867756 /nfs/dbraw/zinc/86/77/56/558867756.db2.gz HNIRHIQEHUVPGR-OUKQBFOZSA-N 0 0 403.825 5.118 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 ZINC000004659476 558872997 /nfs/dbraw/zinc/87/29/97/558872997.db2.gz MUUPJOCCMJVRPT-MDWZMJQESA-N 0 0 403.825 5.118 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1Cl ZINC000004659484 558868462 /nfs/dbraw/zinc/86/84/62/558868462.db2.gz NRRPLNFKAMQLTP-SDNWHVSQSA-N 0 0 403.825 5.118 50 5 HKBARN CCCCCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004660642 534994526 /nfs/dbraw/zinc/99/45/26/534994526.db2.gz CEMRSOCPGTVTAZ-UHFFFAOYSA-N 0 0 423.557 5.364 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000004661049 558874410 /nfs/dbraw/zinc/87/44/10/558874410.db2.gz ZDTLQQWOAYGVBJ-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000004661051 558874483 /nfs/dbraw/zinc/87/44/83/558874483.db2.gz ZDTLQQWOAYGVBJ-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000004661284 558873894 /nfs/dbraw/zinc/87/38/94/558873894.db2.gz KWVCULNHIJNMJK-HBUWYVDXSA-N 0 0 402.491 5.440 50 5 HKBARN Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004661721 558874691 /nfs/dbraw/zinc/87/46/91/558874691.db2.gz XTJXVOFBIUHOGR-UHFFFAOYSA-N 0 0 424.928 6.277 50 5 HKBARN CCOc1ccccc1Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 ZINC000004661761 557578018 /nfs/dbraw/zinc/57/80/18/557578018.db2.gz JJGQWEIBGSXFOO-UHFFFAOYSA-N 0 0 414.486 6.212 50 5 HKBARN CC[C@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004663426 132281494 /nfs/dbraw/zinc/28/14/94/132281494.db2.gz AHJVMUCXWPUDTK-UWSIMGETSA-N 0 0 415.493 5.823 50 5 HKBARN CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004663427 535952313 /nfs/dbraw/zinc/95/23/13/535952313.db2.gz AHJVMUCXWPUDTK-CUHUQNRHSA-N 0 0 415.493 5.823 50 5 HKBARN O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(-c2ccccc2)cc1 ZINC000004666238 557578604 /nfs/dbraw/zinc/57/86/04/557578604.db2.gz RYSAPVSAAKEZRJ-UHFFFAOYSA-N 0 0 407.494 6.334 50 5 HKBARN COC(=O)c1c2cccc3cc(-c4ccccc4)c4ccc(c4n32)c1-c1ccccc1 ZINC000004666803 557578914 /nfs/dbraw/zinc/57/89/14/557578914.db2.gz YTKGCVWBPNDYMH-UHFFFAOYSA-N 0 0 401.465 6.804 50 5 HKBARN CCc1ccccc1NC(=O)c1ccc(N(CC)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000004668195 558878090 /nfs/dbraw/zinc/87/80/90/558878090.db2.gz KQUISYCNZLLVFF-UHFFFAOYSA-N 0 0 403.482 5.436 50 5 HKBARN CCc1ccccc1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000004668203 558878036 /nfs/dbraw/zinc/87/80/36/558878036.db2.gz DYKZMEBXTNYVNV-UHFFFAOYSA-N 0 0 409.873 5.675 50 5 HKBARN CCc1ccccc1NC(=O)c1ccc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000004668204 558878059 /nfs/dbraw/zinc/87/80/59/558878059.db2.gz ODGFADMQDNZODY-UHFFFAOYSA-N 0 0 405.454 5.030 50 5 HKBARN CCc1ccccc1NC(=O)c1ccc(NCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000004668206 558878074 /nfs/dbraw/zinc/87/80/74/558878074.db2.gz WUEABIUBPHVXPT-UHFFFAOYSA-N 0 0 405.454 5.030 50 5 HKBARN COc1ccc(CNc2ccc(C(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 ZINC000004668211 558878076 /nfs/dbraw/zinc/87/80/76/558878076.db2.gz CEEQYYUTLJFAMV-UHFFFAOYSA-N 0 0 405.454 5.085 50 5 HKBARN COc1ccccc1CNc1ccc(C(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000004668212 558878072 /nfs/dbraw/zinc/87/80/72/558878072.db2.gz YMCPCXMKLXWCJC-UHFFFAOYSA-N 0 0 405.454 5.085 50 5 HKBARN Cc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1F ZINC000004668215 558878054 /nfs/dbraw/zinc/87/80/54/558878054.db2.gz LNCVGYNBFYNGHM-UHFFFAOYSA-N 0 0 413.836 5.560 50 5 HKBARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004668217 558878278 /nfs/dbraw/zinc/87/82/78/558878278.db2.gz LANLYOURXGYZOQ-UHFFFAOYSA-N 0 0 421.419 6.001 50 5 HKBARN CCc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 ZINC000004668231 558878265 /nfs/dbraw/zinc/87/82/65/558878265.db2.gz AVGIAXOBBAZZNH-UHFFFAOYSA-N 0 0 409.873 5.675 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ZINC000004668265 558878281 /nfs/dbraw/zinc/87/82/81/558878281.db2.gz IWEBCQNRVFFNAQ-UHFFFAOYSA-N 0 0 419.481 5.591 50 5 HKBARN COc1ccccc1CNc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000004668266 558878255 /nfs/dbraw/zinc/87/82/55/558878255.db2.gz WALJDPXQFLMEHA-UHFFFAOYSA-N 0 0 419.481 5.591 50 5 HKBARN CC(C)c1ccc(NC(=O)c2ccc(N[C@@H]3CCC[C@@H](C)[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000004668269 558878252 /nfs/dbraw/zinc/87/82/52/558878252.db2.gz OREOZBCZACSTLS-CBGDNZLLSA-N 0 0 409.530 6.207 50 5 HKBARN CC(C)c1ccc(NC(=O)c2ccc(N[C@@H]3CCC[C@H](C)[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000004668270 558878304 /nfs/dbraw/zinc/87/83/04/558878304.db2.gz OREOZBCZACSTLS-CSODHUTKSA-N 0 0 409.530 6.207 50 5 HKBARN Cc1cccc(NC(=O)c2ccc(NCCCC3CCCCCC3)c([N+](=O)[O-])c2)c1 ZINC000004668813 558876919 /nfs/dbraw/zinc/87/69/19/558876919.db2.gz SLIFMLFPTRPBPJ-UHFFFAOYSA-N 0 0 409.530 6.318 50 5 HKBARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004673129 132281889 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Cc1cc2sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000004695974 558900849 /nfs/dbraw/zinc/90/08/49/558900849.db2.gz TZTUNSDRAIVMGF-HWKANZROSA-N 0 0 408.266 5.472 50 5 HKBARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000004703859 558913066 /nfs/dbraw/zinc/91/30/66/558913066.db2.gz JTUYJHJZSRXIOC-UHFFFAOYSA-N 0 0 401.422 5.779 50 5 HKBARN O=C(Nc1ccc2c(c1)nc(-c1ccccc1)c1cc(NC(=O)C3CC3)ccc21)C1CC1 ZINC000004708720 557585533 /nfs/dbraw/zinc/58/55/33/557585533.db2.gz JVVUUAREAQLXMY-UHFFFAOYSA-N 0 0 421.500 5.752 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=S)Nc1ccccc1 ZINC000004709771 558913737 /nfs/dbraw/zinc/91/37/37/558913737.db2.gz DJTZIAJMJBLZNZ-NRFANRHFSA-N 0 0 402.479 5.143 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=S)Nc1ccccc1 ZINC000004709774 558914546 /nfs/dbraw/zinc/91/45/46/558914546.db2.gz DJTZIAJMJBLZNZ-OAQYLSRUSA-N 0 0 402.479 5.143 50 5 HKBARN Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 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Cc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000004755065 559048789 /nfs/dbraw/zinc/04/87/89/559048789.db2.gz HJJYAQZJHZUDPH-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN O=c1c2ccccc2nc(Cc2cccc([N+](=O)[O-])c2)n1-c1cccc2ccccc21 ZINC000004755963 559048820 /nfs/dbraw/zinc/04/88/20/559048820.db2.gz YTXWEBWILLMDBW-UHFFFAOYSA-N 0 0 407.429 5.038 50 5 HKBARN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2n1 ZINC000004757330 559048822 /nfs/dbraw/zinc/04/88/22/559048822.db2.gz GIWFTJBWZBBQGB-UHFFFAOYSA-N 0 0 412.877 5.203 50 5 HKBARN Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 ZINC000004757589 559048830 /nfs/dbraw/zinc/04/88/30/559048830.db2.gz OQJRMJWHXLTCBV-UHFFFAOYSA-N 0 0 409.873 5.464 50 5 HKBARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc12 ZINC000004757596 132287888 /nfs/dbraw/zinc/28/78/88/132287888.db2.gz GWEUBBDXIJNARU-UHFFFAOYSA-N 0 0 418.497 5.248 50 5 HKBARN Cc1ccc(Cl)cc1NC(=O)c1ccc(N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004757642 559048810 /nfs/dbraw/zinc/04/88/10/559048810.db2.gz KSJRZPSWOVDPOV-HNNXBMFYSA-N 0 0 409.873 5.982 50 5 HKBARN Cc1ccc(Cl)cc1NC(=O)c1ccc(N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004757643 559048862 /nfs/dbraw/zinc/04/88/62/559048862.db2.gz KSJRZPSWOVDPOV-OAHLLOKOSA-N 0 0 409.873 5.982 50 5 HKBARN Cc1ccc(Cl)cc1NC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004757777 559048868 /nfs/dbraw/zinc/04/88/68/559048868.db2.gz UCPZVJDMVUMDLR-UHFFFAOYSA-N 0 0 409.873 5.464 50 5 HKBARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004758612 559048839 /nfs/dbraw/zinc/04/88/39/559048839.db2.gz GUFOSVGMPIGFJX-UHFFFAOYSA-N 0 0 411.845 5.361 50 5 HKBARN Cc1cc2sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000004759795 559048708 /nfs/dbraw/zinc/04/87/08/559048708.db2.gz ZIACODGGFUHJOA-UHFFFAOYSA-N 0 0 416.890 5.019 50 5 HKBARN CC(C)(C)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004764360 559054768 /nfs/dbraw/zinc/05/47/68/559054768.db2.gz 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CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004783877 559062879 /nfs/dbraw/zinc/06/28/79/559062879.db2.gz XWKIIVDMLXYSFX-KITMXDFVSA-N 0 0 411.527 5.577 50 5 HKBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004783878 559062897 /nfs/dbraw/zinc/06/28/97/559062897.db2.gz XWKIIVDMLXYSFX-JPISGYTDSA-N 0 0 411.527 5.577 50 5 HKBARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004783880 559062901 /nfs/dbraw/zinc/06/29/01/559062901.db2.gz XWKIIVDMLXYSFX-OYYUKBSXSA-N 0 0 411.527 5.577 50 5 HKBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004783882 559062861 /nfs/dbraw/zinc/06/28/61/559062861.db2.gz XWKIIVDMLXYSFX-GBUWXYEFSA-N 0 0 411.527 5.577 50 5 HKBARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000004785278 559063423 /nfs/dbraw/zinc/06/34/23/559063423.db2.gz DGSVEDOCSKCXRI-IJZXMWNXSA-N 0 0 411.527 5.577 50 5 HKBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000004785280 559063416 /nfs/dbraw/zinc/06/34/16/559063416.db2.gz DGSVEDOCSKCXRI-APGAYVOGSA-N 0 0 411.527 5.577 50 5 HKBARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000004785282 559063421 /nfs/dbraw/zinc/06/34/21/559063421.db2.gz DGSVEDOCSKCXRI-VIJUXZSRSA-N 0 0 411.527 5.577 50 5 HKBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](C=Cc2ccccc2[N+](=O)[O-])N3)C1 ZINC000004785283 559063412 /nfs/dbraw/zinc/06/34/12/559063412.db2.gz DGSVEDOCSKCXRI-WIGMAHPFSA-N 0 0 411.527 5.577 50 5 HKBARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004785666 559063773 /nfs/dbraw/zinc/06/37/73/559063773.db2.gz ALYZJQCCXDFYMP-ZXBGJVLQSA-N 0 0 413.477 5.587 50 5 HKBARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004785667 559063786 /nfs/dbraw/zinc/06/37/86/559063786.db2.gz ALYZJQCCXDFYMP-QQZGCWSASA-N 0 0 413.477 5.587 50 5 HKBARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004785668 559063757 /nfs/dbraw/zinc/06/37/57/559063757.db2.gz ALYZJQCCXDFYMP-OJQJISPUSA-N 0 0 413.477 5.587 50 5 HKBARN O=C(O[C@H]1CCCCCc2ccc(cc2)CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004790016 559061760 /nfs/dbraw/zinc/06/17/60/559061760.db2.gz IUMBEPWMQWAOQY-NRFANRHFSA-N 0 0 412.442 5.168 50 5 HKBARN O=C(O[C@@H]1CCCCCc2ccc(cc2)CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004790019 559061764 /nfs/dbraw/zinc/06/17/64/559061764.db2.gz IUMBEPWMQWAOQY-OAQYLSRUSA-N 0 0 412.442 5.168 50 5 HKBARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004790981 559065551 /nfs/dbraw/zinc/06/55/51/559065551.db2.gz HTXQKTIHRKWPLF-UHFFFAOYSA-N 0 0 424.819 5.263 50 5 HKBARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004791182 559065614 /nfs/dbraw/zinc/06/56/14/559065614.db2.gz KSAQLZLIQOHNTQ-UHFFFAOYSA-N 0 0 406.829 5.124 50 5 HKBARN O=C(Nc1ccc(F)cc1[N+](=O)[O-])Oc1ccc2cc(Br)ccc2c1 ZINC000004794193 559065208 /nfs/dbraw/zinc/06/52/08/559065208.db2.gz GYDBUZTXNJVETM-UHFFFAOYSA-N 0 0 405.179 5.261 50 5 HKBARN O=C(OC1CCCCc2ccc(cc2)CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004795384 559064990 /nfs/dbraw/zinc/06/49/90/559064990.db2.gz ATIPIMNMWPNHFF-UHFFFAOYSA-N 0 0 412.442 5.168 50 5 HKBARN O=C(Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000004796077 559064955 /nfs/dbraw/zinc/06/49/55/559064955.db2.gz JUCSQEMQKRTWBT-UHFFFAOYSA-N 0 0 415.474 6.543 50 5 HKBARN COc1ccccc1Nc1nc(Oc2ccc3ccccc3c2)nc(C)c1[N+](=O)[O-] ZINC000004797387 559066486 /nfs/dbraw/zinc/06/64/86/559066486.db2.gz QGGJWLAWDRRLDF-UHFFFAOYSA-N 0 0 402.410 5.391 50 5 HKBARN Cc1ccc(NC(=O)Oc2ccc(C(C)(C)C)cc2Br)c([N+](=O)[O-])c1 ZINC000004799740 559065422 /nfs/dbraw/zinc/06/54/22/559065422.db2.gz ZWIHQKBSCDPOLU-UHFFFAOYSA-N 0 0 407.264 5.574 50 5 HKBARN Cc1scc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1-c1ccccc1 ZINC000004805300 559067602 /nfs/dbraw/zinc/06/76/02/559067602.db2.gz XIQYKNZIKOQBAG-UHFFFAOYSA-N 0 0 406.385 5.903 50 5 HKBARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004805464 132288906 /nfs/dbraw/zinc/28/89/06/132288906.db2.gz WITCCQHRPBRFFP-IERDGZPVSA-N 0 0 402.454 5.579 50 5 HKBARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004805470 132288856 /nfs/dbraw/zinc/28/88/56/132288856.db2.gz WITCCQHRPBRFFP-KKSFZXQISA-N 0 0 402.454 5.579 50 5 HKBARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004805476 132288894 /nfs/dbraw/zinc/28/88/94/132288894.db2.gz WITCCQHRPBRFFP-IIBYNOLFSA-N 0 0 402.454 5.579 50 5 HKBARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004805479 132288938 /nfs/dbraw/zinc/28/89/38/132288938.db2.gz WITCCQHRPBRFFP-HRAATJIYSA-N 0 0 402.454 5.579 50 5 HKBARN Cc1ccc(C)c2sc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc21 ZINC000004809606 132289113 /nfs/dbraw/zinc/28/91/13/132289113.db2.gz RNINQQCBKGHMIO-UHFFFAOYSA-N 0 0 410.499 5.064 50 5 HKBARN Cc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)ccc1[N+](=O)[O-] ZINC000004809752 559067663 /nfs/dbraw/zinc/06/76/63/559067663.db2.gz CTNGVTNCVNLREO-UHFFFAOYSA-N 0 0 406.829 5.352 50 5 HKBARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004809896 559067676 /nfs/dbraw/zinc/06/76/76/559067676.db2.gz RJLJNJQHMUPUBO-UHFFFAOYSA-N 0 0 411.483 5.270 50 5 HKBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000004810405 559067652 /nfs/dbraw/zinc/06/76/52/559067652.db2.gz IZGXVHWNBVLVRN-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000004810814 132289157 /nfs/dbraw/zinc/28/91/57/132289157.db2.gz RDGATSWPFLPIFA-UHFFFAOYSA-N 0 0 417.893 5.136 50 5 HKBARN O=C(Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000004810855 559068794 /nfs/dbraw/zinc/06/87/94/559068794.db2.gz CEPAOURJLVNQNT-UHFFFAOYSA-N 0 0 401.850 5.019 50 5 HKBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccc(Cl)cc4oc3cc(N3CCCC3)c12 ZINC000004811684 559069343 /nfs/dbraw/zinc/06/93/43/559069343.db2.gz RFWQJNWQLIISBX-UHFFFAOYSA-N 0 0 416.864 5.195 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)C=C1CCCCCC3=Cc4cc([N+](=O)[O-])ccc4OC13O2 ZINC000004812479 559069426 /nfs/dbraw/zinc/06/94/26/559069426.db2.gz ZYABKUFXVDWOOZ-UHFFFAOYSA-N 0 0 406.394 5.415 50 5 HKBARN COc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000004817275 559068962 /nfs/dbraw/zinc/06/89/62/559068962.db2.gz GKLLNLCYASOIIT-JOCHJYFZSA-N 0 0 406.438 5.038 50 5 aggregator HKBARN COc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000004817276 559068966 /nfs/dbraw/zinc/06/89/66/559068966.db2.gz GKLLNLCYASOIIT-QFIPXVFZSA-N 0 0 406.438 5.038 50 5 aggregator HKBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(NCc3ccco3)c12 ZINC000004817317 559114576 /nfs/dbraw/zinc/11/45/76/559114576.db2.gz FPTHAJQZGGJNPY-UHFFFAOYSA-N 0 0 408.413 5.146 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2c(Br)cccc12 ZINC000004819565 559068965 /nfs/dbraw/zinc/06/89/65/559068965.db2.gz BRCXAYBHLCDRTI-UHFFFAOYSA-N 0 0 405.635 5.416 50 5 HKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004820310 559069104 /nfs/dbraw/zinc/06/91/04/559069104.db2.gz BKQWRNZZVLPZSA-UHFFFAOYSA-N 0 0 413.783 5.120 50 5 HKBARN Cc1c(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cccc1[N+](=O)[O-] ZINC000004820735 559123764 /nfs/dbraw/zinc/12/37/64/559123764.db2.gz AINDFTLWLIUUHD-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000004820921 559124317 /nfs/dbraw/zinc/12/43/17/559124317.db2.gz ATPVBWARDVMGRV-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN Cc1noc(/C=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000004821371 559125154 /nfs/dbraw/zinc/12/51/54/559125154.db2.gz FBRGKCAEXSLVDN-ALCCZGGFSA-N 0 0 405.237 5.947 50 5 HKBARN Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000004821399 559124201 /nfs/dbraw/zinc/12/42/01/559124201.db2.gz YBEKHZUWXPYHMM-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN CC1=CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc21 ZINC000004828660 132289798 /nfs/dbraw/zinc/28/97/98/132289798.db2.gz PDBJFHMDKVEYDP-UHFFFAOYSA-N 0 0 412.898 6.305 50 5 HKBARN O=C(Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000004832825 559164445 /nfs/dbraw/zinc/16/44/45/559164445.db2.gz WOJRKZXBFSXAPW-UHFFFAOYSA-N 0 0 408.523 5.901 50 5 HKBARN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004833145 559163207 /nfs/dbraw/zinc/16/32/07/559163207.db2.gz WTDVHANPEDQXPB-UHFFFAOYSA-N 0 0 405.690 5.427 50 5 HKBARN Cc1cc(C)cc(NC(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000004833453 559163303 /nfs/dbraw/zinc/16/33/03/559163303.db2.gz WQNVUNXIQZQWEY-UHFFFAOYSA-N 0 0 412.898 6.269 50 5 HKBARN O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004834337 559165159 /nfs/dbraw/zinc/16/51/59/559165159.db2.gz CMLJWEJQDUIGJO-PKNBQFBNSA-N 0 0 402.328 5.526 50 5 HKBARN CCCCC(=O)N1c2cc(C)c([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C ZINC000004837114 132290066 /nfs/dbraw/zinc/29/00/66/132290066.db2.gz DOCWUBNOAZTNRI-UHFFFAOYSA-N 0 0 408.570 6.195 50 5 HKBARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004838641 559166958 /nfs/dbraw/zinc/16/69/58/559166958.db2.gz KUFRBHJEZJXPHV-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004838642 559163631 /nfs/dbraw/zinc/16/36/31/559163631.db2.gz RDWOZCXLAJJCPX-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000004839579 559163752 /nfs/dbraw/zinc/16/37/52/559163752.db2.gz BWFFQWAYKRDOSX-UHFFFAOYSA-N 0 0 404.813 5.111 50 5 HKBARN CCCCCC(=O)N1c2ccc([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C ZINC000004843888 132290553 /nfs/dbraw/zinc/29/05/53/132290553.db2.gz OGSVLEMLFRIMOV-UHFFFAOYSA-N 0 0 408.570 6.276 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004844195 559168083 /nfs/dbraw/zinc/16/80/83/559168083.db2.gz PKUCHYYIMQGQDV-VGOFMYFVSA-N 0 0 403.825 5.118 50 5 HKBARN Cc1cc2c(cc1[N+](=O)[O-])-c1c(ssc1=S)C(C)(C)N2C(=O)CC(C)C ZINC000004844202 132290531 /nfs/dbraw/zinc/29/05/31/132290531.db2.gz VASKWAUAMVUHBG-UHFFFAOYSA-N 0 0 408.570 6.051 50 5 HKBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C2CCCCC2)cc1 ZINC000004844836 559169519 /nfs/dbraw/zinc/16/95/19/559169519.db2.gz DELKIJDCAWOVRM-UHFFFAOYSA-N 0 0 401.846 5.336 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc2ccccc2c1 ZINC000004844927 559169165 /nfs/dbraw/zinc/16/91/65/559169165.db2.gz PDLDXEZZYPPKQU-ACCUITESSA-N 0 0 409.401 5.211 50 5 HKBARN CC(=O)Oc1cccc2ccc(/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc21 ZINC000004845457 559169158 /nfs/dbraw/zinc/16/91/58/559169158.db2.gz DEXRRQYCCFPOIL-FMIVXFBMSA-N 0 0 400.390 5.499 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000004845606 559169173 /nfs/dbraw/zinc/16/91/73/559169173.db2.gz SBALVROVXCEBIK-BVYCBKJFSA-N 0 0 410.395 6.085 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000004845607 559169124 /nfs/dbraw/zinc/16/91/24/559169124.db2.gz SBALVROVXCEBIK-YUXAGFNASA-N 0 0 410.395 6.085 50 5 HKBARN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)o1 ZINC000004852061 559191366 /nfs/dbraw/zinc/19/13/66/559191366.db2.gz DZITXZPYJSRQFQ-ONEGZZNKSA-N 0 0 405.332 5.156 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004853996 559191823 /nfs/dbraw/zinc/19/18/23/559191823.db2.gz BTFCWGLJHSQQSI-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004854000 559191850 /nfs/dbraw/zinc/19/18/50/559191850.db2.gz BTFCWGLJHSQQSI-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000004854272 559191854 /nfs/dbraw/zinc/19/18/54/559191854.db2.gz GKGSSGLMQKJWKT-FXAWDEMLSA-N 0 0 411.870 5.552 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000004854275 559191828 /nfs/dbraw/zinc/19/18/28/559191828.db2.gz GKGSSGLMQKJWKT-YLJYHZDGSA-N 0 0 411.870 5.552 50 5 HKBARN O=C1c2ccccc2-c2c1c(-c1ccccc1[N+](=O)[O-])nc1ccc3ccccc3c21 ZINC000004854947 559192425 /nfs/dbraw/zinc/19/24/25/559192425.db2.gz ASYSEJDDKSJXQG-UHFFFAOYSA-N 0 0 402.409 6.175 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004860315 559192879 /nfs/dbraw/zinc/19/28/79/559192879.db2.gz FLDPZZKTMSXQBD-NTEUORMPSA-N 0 0 403.825 5.118 50 5 HKBARN C[C@@H](c1ccccc1)n1c2ncn(C3CCCC3)c(=O)c2c2nc3ccccc3nc21 ZINC000004868358 557608384 /nfs/dbraw/zinc/60/83/84/557608384.db2.gz LDDLPKRJFHMQMI-INIZCTEOSA-N 0 0 409.493 5.019 50 5 HKBARN C[C@H](c1ccccc1)n1c2ncn(C3CCCC3)c(=O)c2c2nc3ccccc3nc21 ZINC000004868359 557608349 /nfs/dbraw/zinc/60/83/49/557608349.db2.gz LDDLPKRJFHMQMI-MRXNPFEDSA-N 0 0 409.493 5.019 50 5 HKBARN O=[N+]([O-])c1ccc(CNc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000004869655 559193977 /nfs/dbraw/zinc/19/39/77/559193977.db2.gz SDEPKOBETJFTEO-UHFFFAOYSA-N 0 0 408.457 6.493 50 5 HKBARN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000004869849 559193538 /nfs/dbraw/zinc/19/35/38/559193538.db2.gz GOZDFTXEBHPBKU-UHFFFAOYSA-N 0 0 407.209 5.423 50 5 HKBARN N=c1oc2c(cc(N3CCCCC3)cc2[N+](=O)[O-])cc1-c1nc2ccccc2s1 ZINC000004871836 132291107 /nfs/dbraw/zinc/29/11/07/132291107.db2.gz AXCNJBQXTZFPOH-UHFFFAOYSA-N 0 0 406.467 5.087 50 5 HKBARN O=c1cc(CSc2n[nH]c(-c3ccccc3F)n2)c2c(ccc3ccccc32)o1 ZINC000004878513 559195864 /nfs/dbraw/zinc/19/58/64/559195864.db2.gz BPBJPLBXLDHFAH-UHFFFAOYSA-N 0 0 403.438 5.163 50 5 HKBARN CC(=O)Oc1cccc2ccc(/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)nc21 ZINC000004881937 559196656 /nfs/dbraw/zinc/19/66/56/559196656.db2.gz OTPHVEGTRMJXCD-CSKARUKUSA-N 0 0 414.417 5.807 50 5 HKBARN O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c(-c2cccc(Cl)c2Cl)[nH]1 ZINC000004889303 559197799 /nfs/dbraw/zinc/19/77/99/559197799.db2.gz JRNMBMNPTFBVMJ-UHFFFAOYSA-N 0 0 410.260 6.626 50 5 HKBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(Nc3ccccc3)c12 ZINC000004891446 559198433 /nfs/dbraw/zinc/19/84/33/559198433.db2.gz WQTKVSBDTIZECF-UHFFFAOYSA-N 0 0 404.425 5.685 50 5 biogenic HKBARN COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c3ccccc3n2)cc1 ZINC000004892106 559198100 /nfs/dbraw/zinc/19/81/00/559198100.db2.gz ZQIXOZDXADIJCO-UHFFFAOYSA-N 0 0 413.433 5.379 50 5 HKBARN CCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000004892808 559198735 /nfs/dbraw/zinc/19/87/35/559198735.db2.gz TTZUORZLWVGOPE-UHFFFAOYSA-N 0 0 413.257 5.098 50 5 HKBARN Cc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3n2)o1 ZINC000004893075 559198066 /nfs/dbraw/zinc/19/80/66/559198066.db2.gz DQXCVFAPJKOINJ-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3n2)s1 ZINC000004893909 559198103 /nfs/dbraw/zinc/19/81/03/559198103.db2.gz NMLBESRYMWFNMK-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN CCCC[C@@H](CC)C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](CC)CCCC)c1 ZINC000004894044 559198067 /nfs/dbraw/zinc/19/80/67/559198067.db2.gz DYQULWMWKYIRRA-SJORKVTESA-N 0 0 405.539 5.905 50 5 HKBARN CCCC[C@H](CC)C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](CC)CCCC)c1 ZINC000004894045 559198065 /nfs/dbraw/zinc/19/80/65/559198065.db2.gz DYQULWMWKYIRRA-IRXDYDNUSA-N 0 0 405.539 5.905 50 5 HKBARN CCCC[C@@H](CC)C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)[C@H](CC)CCCC)c1 ZINC000004894046 559198083 /nfs/dbraw/zinc/19/80/83/559198083.db2.gz DYQULWMWKYIRRA-IAGOWNOFSA-N 0 0 405.539 5.905 50 5 HKBARN CCCC[C@@H](CC)C(=O)Nc1cc(NC(=O)[C@@H](CC)CCCC)ccc1[N+](=O)[O-] ZINC000004894049 559198094 /nfs/dbraw/zinc/19/80/94/559198094.db2.gz DYQULWMWKYIRRA-DLBZAZTESA-N 0 0 405.539 5.905 50 5 HKBARN COc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000004894109 559198090 /nfs/dbraw/zinc/19/80/90/559198090.db2.gz PSJCAFOIEZTCPY-UHFFFAOYSA-N 0 0 405.435 5.132 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2C)nc2ccccc21 ZINC000004894617 559198086 /nfs/dbraw/zinc/19/80/86/559198086.db2.gz DCEWWUMECAOFIS-UHFFFAOYSA-N 0 0 413.433 5.379 50 5 HKBARN CC(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004899065 559199108 /nfs/dbraw/zinc/19/91/08/559199108.db2.gz SHMOMSVDSWSCKY-CXUHLZMHSA-N 0 0 411.461 5.588 50 5 HKBARN Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2C)C3=O)cc1C ZINC000004905555 559199428 /nfs/dbraw/zinc/19/94/28/559199428.db2.gz WIYNHACEHCYBKM-UHFFFAOYSA-N 0 0 402.406 5.113 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2cccc(Oc3ccc(Cl)cc3)c2C1=O ZINC000004907602 559199407 /nfs/dbraw/zinc/19/94/07/559199407.db2.gz PZWLEXWVBMZNPS-UHFFFAOYSA-N 0 0 408.797 5.150 50 5 HKBARN CC(=O)Oc1cccc2ccc(/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 ZINC000004913918 559202209 /nfs/dbraw/zinc/20/22/09/559202209.db2.gz YOIKOWCFSFCBKJ-VAWYXSNFSA-N 0 0 400.390 5.499 50 5 HKBARN Cc1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c([N+](=O)[O-])c1 ZINC000004914726 559202180 /nfs/dbraw/zinc/20/21/80/559202180.db2.gz GQRLACDHCPTZSI-UHFFFAOYSA-N 0 0 408.797 5.150 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)sc2c1 ZINC000004927490 559207960 /nfs/dbraw/zinc/20/79/60/559207960.db2.gz RVSNBJQYNDRQJD-UHFFFAOYSA-N 0 0 404.451 5.824 50 5 HKBARN Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1 ZINC000004932088 559209786 /nfs/dbraw/zinc/20/97/86/559209786.db2.gz JXEORZRSHJUJAN-UHFFFAOYSA-N 0 0 411.852 5.489 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 ZINC000004951155 559215862 /nfs/dbraw/zinc/21/58/62/559215862.db2.gz LHDVUMBOOYJMBL-NRFANRHFSA-N 0 0 402.479 5.143 50 5 HKBARN O=[N+]([O-])c1cc2c(cc1C(c1c[nH]c3ccccc31)c1c[nH]c3ccccc31)OCO2 ZINC000004953747 559215309 /nfs/dbraw/zinc/21/53/09/559215309.db2.gz PWDLNQFCFFTVFI-UHFFFAOYSA-N 0 0 411.417 5.466 50 5 HKBARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3OC)[nH]2)cc1 ZINC000004954575 559215335 /nfs/dbraw/zinc/21/53/35/559215335.db2.gz AXEZSZACDDGIMV-UHFFFAOYSA-N 0 0 401.422 5.336 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2c[nH]c3ccccc23)nc1-c1ccccc1 ZINC000004954584 559216462 /nfs/dbraw/zinc/21/64/62/559216462.db2.gz WAXUDATYIWYZTJ-UHFFFAOYSA-N 0 0 410.433 5.809 50 5 HKBARN Cc1ccc2nc(Cl)c3cc(C(=O)Nc4cccc([N+](=O)[O-])c4C)sc3c2c1 ZINC000004961618 559217658 /nfs/dbraw/zinc/21/76/58/559217658.db2.gz SCGKLTPHCBEZAK-UHFFFAOYSA-N 0 0 411.870 5.880 50 5 HKBARN CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(OCC)c(OCC)c2)c1 ZINC000004965696 559218771 /nfs/dbraw/zinc/21/87/71/559218771.db2.gz HNGHHWZWJGASAN-UHFFFAOYSA-N 0 0 404.488 5.147 50 5 HKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4ccc(Cl)cc4c32)c1 ZINC000004969912 559219598 /nfs/dbraw/zinc/21/95/98/559219598.db2.gz BVFCJULRUAQXNZ-UHFFFAOYSA-N 0 0 400.825 5.802 50 5 HKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)c1 ZINC000004969953 559219549 /nfs/dbraw/zinc/21/95/49/559219549.db2.gz DXAHXTGWUKRXNU-UHFFFAOYSA-N 0 0 402.360 5.427 50 5 HKBARN CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000004969964 559219552 /nfs/dbraw/zinc/21/95/52/559219552.db2.gz LJWVYBYFDONLEQ-UHFFFAOYSA-N 0 0 410.433 5.548 50 5 HKBARN CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000004969998 559219587 /nfs/dbraw/zinc/21/95/87/559219587.db2.gz INIIBANTWJWARC-UHFFFAOYSA-N 0 0 408.461 6.020 50 5 HKBARN COc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(F)cc4)c3c2c1 ZINC000004970009 559219675 /nfs/dbraw/zinc/21/96/75/559219675.db2.gz SECRGHCMDLCHIH-UHFFFAOYSA-N 0 0 414.396 5.297 50 5 HKBARN COc1cccc2c3c(cnc12)c(-c1ccc([N+](=O)[O-])cc1)nn3-c1ccc(C)cc1 ZINC000004970010 559219641 /nfs/dbraw/zinc/21/96/41/559219641.db2.gz FBFDYKNEGFETSU-UHFFFAOYSA-N 0 0 410.433 5.466 50 5 HKBARN COc1cccc2c3c(cnc12)c(-c1ccc([N+](=O)[O-])cc1)nn3-c1ccc(F)cc1 ZINC000004970011 559219647 /nfs/dbraw/zinc/21/96/47/559219647.db2.gz MYKJUUOXELOEBZ-UHFFFAOYSA-N 0 0 414.396 5.297 50 5 HKBARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000004970057 559219674 /nfs/dbraw/zinc/21/96/74/559219674.db2.gz IVVQEDNWQPUNMU-UHFFFAOYSA-N 0 0 410.433 5.466 50 5 HKBARN Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(Cl)ccc32)cc1 ZINC000004970098 559219763 /nfs/dbraw/zinc/21/97/63/559219763.db2.gz PCSYETBXESDRHQ-UHFFFAOYSA-N 0 0 414.852 6.111 50 5 HKBARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000004970111 559219764 /nfs/dbraw/zinc/21/97/64/559219764.db2.gz DRMHHEOTIKABNP-UHFFFAOYSA-N 0 0 414.396 5.297 50 5 HKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cccc4c32)c1 ZINC000004970145 559219768 /nfs/dbraw/zinc/21/97/68/559219768.db2.gz KUHXRZMIZABSKW-UHFFFAOYSA-N 0 0 402.360 5.427 50 5 HKBARN Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc32)cc1C ZINC000004970231 559219826 /nfs/dbraw/zinc/21/98/26/559219826.db2.gz UHYBVBFKTAJJJS-UHFFFAOYSA-N 0 0 412.424 5.905 50 5 HKBARN Cc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000004970236 559219836 /nfs/dbraw/zinc/21/98/36/559219836.db2.gz SFNZJVGLJGBVEP-UHFFFAOYSA-N 0 0 408.461 6.074 50 5 HKBARN CCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc32)cc1 ZINC000004970272 559219843 /nfs/dbraw/zinc/21/98/43/559219843.db2.gz WJHAYQFHTXURHF-UHFFFAOYSA-N 0 0 412.424 5.850 50 5 HKBARN COc1cccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc32)c1 ZINC000004970302 559219923 /nfs/dbraw/zinc/21/99/23/559219923.db2.gz AZTXYTRVVFDNAI-UHFFFAOYSA-N 0 0 414.396 5.297 50 5 HKBARN COc1cccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(C)cc32)c1 ZINC000004970308 559219882 /nfs/dbraw/zinc/21/98/82/559219882.db2.gz ZVEBCCFYWOFJKB-UHFFFAOYSA-N 0 0 410.433 5.466 50 5 HKBARN Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000004970327 559219921 /nfs/dbraw/zinc/21/99/21/559219921.db2.gz OHQGSPLICUOFEM-UHFFFAOYSA-N 0 0 414.852 6.111 50 5 HKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccccc4c32)c1 ZINC000004970334 559219889 /nfs/dbraw/zinc/21/98/89/559219889.db2.gz YGPWJQXZBOOBDR-UHFFFAOYSA-N 0 0 400.825 5.802 50 5 HKBARN Cn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 ZINC000004978535 559220338 /nfs/dbraw/zinc/22/03/38/559220338.db2.gz KZLGZLQIBVUBKS-UHFFFAOYSA-N 0 0 402.907 5.492 50 5 HKBARN O=C(Nc1ccc(F)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000004978790 559220327 /nfs/dbraw/zinc/22/03/27/559220327.db2.gz KZVUVKZBTNRUPO-UHFFFAOYSA-N 0 0 402.834 5.791 50 5 HKBARN COc1ccc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cc1[N+](=O)[O-] ZINC000004979969 559222897 /nfs/dbraw/zinc/22/28/97/559222897.db2.gz KIBSOVFSTQFVDG-UHFFFAOYSA-N 0 0 406.825 5.408 50 5 HKBARN Cc1c(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cccc1[N+](=O)[O-] ZINC000004979996 559222854 /nfs/dbraw/zinc/22/28/54/559222854.db2.gz OIBMCAZPSJPDNW-UHFFFAOYSA-N 0 0 418.389 6.621 50 5 HKBARN O=C(c1c(-c2ccc(Cl)cc2)cc2ccccn21)c1ccc([N+](=O)[O-])cc1Cl ZINC000004980013 559222845 /nfs/dbraw/zinc/22/28/45/559222845.db2.gz CGRJPELIOHATGP-UHFFFAOYSA-N 0 0 411.244 6.052 50 5 HKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1cccc(Br)c1 ZINC000004981484 559223838 /nfs/dbraw/zinc/22/38/38/559223838.db2.gz CWZCWYOZQSLXNO-UHFFFAOYSA-N 0 0 406.114 5.028 50 5 HKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccc(Br)cc1 ZINC000004981486 559223836 /nfs/dbraw/zinc/22/38/36/559223836.db2.gz CXVHVSSXUWRXSY-UHFFFAOYSA-N 0 0 406.114 5.028 50 5 HKBARN O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004983768 559223415 /nfs/dbraw/zinc/22/34/15/559223415.db2.gz PSVFUCXHLLUOIH-UHFFFAOYSA-N 0 0 413.783 5.120 50 5 HKBARN CC(C)(C)c1cc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(C(C)(C)C)c1 ZINC000004990847 559224807 /nfs/dbraw/zinc/22/48/07/559224807.db2.gz ITTXZLIMFRSRMT-JAIQZWGSSA-N 0 0 406.482 5.534 50 5 HKBARN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)C(c1ccccc1)c1ccccc1 ZINC000004991624 559225039 /nfs/dbraw/zinc/22/50/39/559225039.db2.gz ADGYYCQPGGXRPJ-UHFFFAOYSA-N 0 0 401.249 5.672 50 5 HKBARN O=c1oc2ccccc2c(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000004993514 559225338 /nfs/dbraw/zinc/22/53/38/559225338.db2.gz ATSAKQYQVITTOB-FQEVSTJZSA-N 0 0 411.417 5.057 50 5 HKBARN O=c1oc2ccccc2c(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000004993517 559225334 /nfs/dbraw/zinc/22/53/34/559225334.db2.gz ATSAKQYQVITTOB-HXUWFJFHSA-N 0 0 411.417 5.057 50 5 HKBARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004993851 559225153 /nfs/dbraw/zinc/22/51/53/559225153.db2.gz AHPBTAMJUIYCLE-UHFFFAOYSA-N 0 0 403.232 5.281 50 5 HKBARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000004998190 559225301 /nfs/dbraw/zinc/22/53/01/559225301.db2.gz TVINNLFJWXIBGI-UHFFFAOYSA-N 0 0 407.392 5.246 50 5 HKBARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000004998199 559225315 /nfs/dbraw/zinc/22/53/15/559225315.db2.gz IFBLVFNOPUHTIN-UHFFFAOYSA-N 0 0 415.371 5.478 50 5 HKBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004998241 559225277 /nfs/dbraw/zinc/22/52/77/559225277.db2.gz VMHISYRVIKYSCQ-UHFFFAOYSA-N 0 0 407.392 5.246 50 5 HKBARN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000004998296 132297781 /nfs/dbraw/zinc/29/77/81/132297781.db2.gz BNEDJEYDUOLFDI-UHFFFAOYSA-N 0 0 407.392 5.102 50 5 HKBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004998302 559225283 /nfs/dbraw/zinc/22/52/83/559225283.db2.gz XFXLMXSMDJBNMT-UHFFFAOYSA-N 0 0 415.371 5.478 50 5 HKBARN CC1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000004998957 132298011 /nfs/dbraw/zinc/29/80/11/132298011.db2.gz XXUFQVXJBZITHP-UHFFFAOYSA-N 0 0 405.454 5.343 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NCCC(c1ccccc1)c1ccccc1 ZINC000004998992 559225288 /nfs/dbraw/zinc/22/52/88/559225288.db2.gz PPMADFSQNXNUOT-UHFFFAOYSA-N 0 0 421.522 5.112 50 5 HKBARN O=[N+]([O-])c1c(Nc2cccc3ccccc32)ncnc1Nc1cccc2ccccc21 ZINC000005002651 559226723 /nfs/dbraw/zinc/22/67/23/559226723.db2.gz VCYLAIBAYDVUFU-UHFFFAOYSA-N 0 0 407.433 6.178 50 5 HKBARN CC(C)(C)c1ccc(Cn2cnc3scc(-c4cccc([N+](=O)[O-])c4)c3c2=O)cc1 ZINC000005010007 559227844 /nfs/dbraw/zinc/22/78/44/559227844.db2.gz KFIGKHYEITYCCG-UHFFFAOYSA-N 0 0 419.506 5.379 50 5 HKBARN CCC(=O)Oc1cccc2ccc(/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc21 ZINC000005013682 559228059 /nfs/dbraw/zinc/22/80/59/559228059.db2.gz NNZFFQLGBDFJBK-JLHYYAGUSA-N 0 0 414.417 5.889 50 5 HKBARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C ZINC000005013997 559227613 /nfs/dbraw/zinc/22/76/13/559227613.db2.gz IQYMQNVTQQMZHF-UHFFFAOYSA-N 0 0 412.449 5.317 50 5 HKBARN CCCCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000005014025 559228260 /nfs/dbraw/zinc/22/82/60/559228260.db2.gz YILVCOTVTJXIQX-UHFFFAOYSA-N 0 0 415.924 6.618 50 5 HKBARN CCCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000005014029 559228305 /nfs/dbraw/zinc/22/83/05/559228305.db2.gz WFXFZFZFDPLDDL-UHFFFAOYSA-N 0 0 401.897 6.228 50 5 HKBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000005014192 559227606 /nfs/dbraw/zinc/22/76/06/559227606.db2.gz KFMWLGXVMAOCIA-UHFFFAOYSA-N 0 0 400.862 5.207 50 5 HKBARN COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1 ZINC000005014284 559227650 /nfs/dbraw/zinc/22/76/50/559227650.db2.gz XGXCGZWNNJXGDU-UHFFFAOYSA-N 0 0 407.209 5.423 50 5 HKBARN Cc1ccc(-c2nc3oc4ccc(Cl)cc4c(=O)c3c3nc4ccccc4n32)cc1 ZINC000005020243 559229092 /nfs/dbraw/zinc/22/90/92/559229092.db2.gz KVWPNPYLRYRSQB-UHFFFAOYSA-N 0 0 411.848 5.771 50 5 HKBARN CCOc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000005021065 559229692 /nfs/dbraw/zinc/22/96/92/559229692.db2.gz QHJLRIMASWOMMP-UHFFFAOYSA-N 0 0 413.433 5.461 50 5 HKBARN CC(C)c1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 ZINC000005021697 559229300 /nfs/dbraw/zinc/22/93/00/559229300.db2.gz FFSFKFKISWFUJG-UHFFFAOYSA-N 0 0 409.449 5.667 50 5 HKBARN CCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000005021719 559229272 /nfs/dbraw/zinc/22/92/72/559229272.db2.gz MDAFCCHHIDEHDC-UHFFFAOYSA-N 0 0 411.509 5.172 50 5 HKBARN CCc1ccc(-n2c3nc4ccccc4nc3c3c2nc(C)n(C2CCCC2)c3=O)cc1 ZINC000005021722 559229406 /nfs/dbraw/zinc/22/94/06/559229406.db2.gz SQGMNPZPRBLBBB-UHFFFAOYSA-N 0 0 423.520 5.270 50 5 HKBARN COc1cc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)ccc1OC(C)C ZINC000005021853 559229436 /nfs/dbraw/zinc/22/94/36/559229436.db2.gz IRDQYCIFSONZSH-UHFFFAOYSA-N 0 0 411.505 5.890 50 5 HKBARN Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccc4ccccc4c3)c21 ZINC000005021855 559229387 /nfs/dbraw/zinc/22/93/87/559229387.db2.gz AKGDLQSYPPXBHJ-UHFFFAOYSA-N 0 0 403.485 6.278 50 5 HKBARN O=[N+]([O-])c1cc(Cl)ccc1NCCCCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005022290 559229415 /nfs/dbraw/zinc/22/94/15/559229415.db2.gz CAJYGWNTXCZIQO-UHFFFAOYSA-N 0 0 413.261 5.504 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1Cl ZINC000005025167 559230095 /nfs/dbraw/zinc/23/00/95/559230095.db2.gz XPGJZLUCFZHICD-JLHYYAGUSA-N 0 0 403.825 5.118 50 5 HKBARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005027999 132298765 /nfs/dbraw/zinc/29/87/65/132298765.db2.gz MDTNQPUOUQGDJT-UHFFFAOYSA-N 0 0 401.466 5.089 50 5 HKBARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005028174 559229624 /nfs/dbraw/zinc/22/96/24/559229624.db2.gz DZTKLNDUBLDGTA-UHFFFAOYSA-N 0 0 409.623 5.318 50 5 HKBARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005028176 559229671 /nfs/dbraw/zinc/22/96/71/559229671.db2.gz DYTOSGKLHPRYQW-UHFFFAOYSA-N 0 0 409.623 5.318 50 5 HKBARN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)oc2cc(C)cc(C)c12 ZINC000005028182 559229646 /nfs/dbraw/zinc/22/96/46/559229646.db2.gz CHUAEHYKRIHCHP-UHFFFAOYSA-N 0 0 403.232 5.281 50 5 HKBARN CC(C)CCC[C@@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000005030293 559231223 /nfs/dbraw/zinc/23/12/23/559231223.db2.gz MIZARBNQZYHSNQ-MRXNPFEDSA-N 0 0 403.486 5.942 50 5 HKBARN CC(C)CCC[C@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000005030297 559231212 /nfs/dbraw/zinc/23/12/12/559231212.db2.gz MIZARBNQZYHSNQ-INIZCTEOSA-N 0 0 403.486 5.942 50 5 HKBARN CCc1nc2c(c3nc4ccccc4nc3n2C2CCCCC2)c(=O)n1CCC(C)C ZINC000005030610 559230859 /nfs/dbraw/zinc/23/08/59/559230859.db2.gz KORZMCHSVNTWQF-UHFFFAOYSA-N 0 0 417.557 5.408 50 5 HKBARN CCCCCCn1c2nc3ccccc3nc2c2c1nc(CC)n([C@@H](C)CC)c2=O ZINC000005030682 568946234 /nfs/dbraw/zinc/94/62/34/568946234.db2.gz RPPJMVFKWXZSSC-INIZCTEOSA-N 0 0 405.546 5.408 50 5 HKBARN CCCCCCn1c2nc3ccccc3nc2c2c1nc(CC)n([C@H](C)CC)c2=O ZINC000005030685 559230805 /nfs/dbraw/zinc/23/08/05/559230805.db2.gz RPPJMVFKWXZSSC-MRXNPFEDSA-N 0 0 405.546 5.408 50 5 HKBARN Cc1ccc(C(=O)Nc2oc3cc4ccccc4cc3c(=O)c2-c2ccccc2)cc1 ZINC000005030933 559230948 /nfs/dbraw/zinc/23/09/48/559230948.db2.gz IBFZFLJFFDYPIL-UHFFFAOYSA-N 0 0 405.453 6.174 50 5 HKBARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)cc1 ZINC000005033211 559231709 /nfs/dbraw/zinc/23/17/09/559231709.db2.gz OHMJFOPLYXCJMH-UHFFFAOYSA-N 0 0 413.817 5.027 50 5 HKBARN Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(Br)cc1 ZINC000005033340 559231687 /nfs/dbraw/zinc/23/16/87/559231687.db2.gz XHPXHKXJWKLIOG-UHFFFAOYSA-N 0 0 401.216 5.178 50 5 HKBARN COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000005034519 559230708 /nfs/dbraw/zinc/23/07/08/559230708.db2.gz FNIUGQAFRKOYQT-UHFFFAOYSA-N 0 0 407.209 5.423 50 5 HKBARN COc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000005034522 559232776 /nfs/dbraw/zinc/23/27/76/559232776.db2.gz XPUREZGQCRGWEI-UHFFFAOYSA-N 0 0 407.209 5.423 50 5 HKBARN COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000005034524 559232764 /nfs/dbraw/zinc/23/27/64/559232764.db2.gz ZRAZDYAKCHLTEW-UHFFFAOYSA-N 0 0 407.209 5.423 50 5 HKBARN COc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 ZINC000005034545 559232793 /nfs/dbraw/zinc/23/27/93/559232793.db2.gz CRRXNRMTIMZMMT-UHFFFAOYSA-N 0 0 406.316 5.135 50 5 HKBARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)oc2cc1C ZINC000005034849 559230709 /nfs/dbraw/zinc/23/07/09/559230709.db2.gz DJQAUVJFUJVQOU-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN O=C(Nc1cccc2ccccc21)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000005044374 559235531 /nfs/dbraw/zinc/23/55/31/559235531.db2.gz IJQPHUGDCQVBCH-UHFFFAOYSA-N 0 0 416.481 5.122 50 5 aggregator HKBARN O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1cccc(Cl)c1 ZINC000005047825 559235566 /nfs/dbraw/zinc/23/55/66/559235566.db2.gz YJYALXXBJLOQIO-OUKQBFOZSA-N 0 0 403.825 5.118 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccncc2)nc2c(Cl)cccc12 ZINC000005048222 559235563 /nfs/dbraw/zinc/23/55/63/559235563.db2.gz JPUIMOCJTZXUOJ-UHFFFAOYSA-N 0 0 404.813 5.111 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000005048429 559235579 /nfs/dbraw/zinc/23/55/79/559235579.db2.gz BOTMMLHBQCZMHA-UHFFFAOYSA-N 0 0 404.813 5.111 50 5 aggregator HKBARN CCCc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)cc1 ZINC000005048537 559235559 /nfs/dbraw/zinc/23/55/59/559235559.db2.gz IKEHVQAEFGOBTF-UHFFFAOYSA-N 0 0 412.449 5.410 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 ZINC000005048679 559235568 /nfs/dbraw/zinc/23/55/68/559235568.db2.gz RYPUQKWGEPDYMD-UHFFFAOYSA-N 0 0 404.813 5.111 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2cccnc2)nc2c(Cl)cccc12 ZINC000005048762 559235541 /nfs/dbraw/zinc/23/55/41/559235541.db2.gz IKYSMQWTGDONPC-UHFFFAOYSA-N 0 0 404.813 5.111 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1 ZINC000005051298 559237103 /nfs/dbraw/zinc/23/71/03/559237103.db2.gz KCUCIYPZWAKHIU-UHFFFAOYSA-N 0 0 401.813 5.197 50 5 HKBARN Cc1ccc(C2=N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)O2)cc1 ZINC000005052765 559237334 /nfs/dbraw/zinc/23/73/34/559237334.db2.gz JAYCSRAKRNEBBJ-WQRHYEAKSA-N 0 0 408.797 5.161 50 5 HKBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1Br ZINC000005059142 559238825 /nfs/dbraw/zinc/23/88/25/559238825.db2.gz KZDVJDZIRADIRS-UHFFFAOYSA-N 0 0 409.235 5.066 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000005059482 559237453 /nfs/dbraw/zinc/23/74/53/559237453.db2.gz YQQVDXPIPSATJT-RMKNXTFCSA-N 0 0 401.853 6.271 50 5 HKBARN COc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005059681 559237499 /nfs/dbraw/zinc/23/74/99/559237499.db2.gz YUDNIBKUZAMZSH-UHFFFAOYSA-N 0 0 406.482 5.324 50 5 HKBARN Cc1ccc(C)c(OCC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000005059816 559237456 /nfs/dbraw/zinc/23/74/56/559237456.db2.gz OESMPEQCDZZLDA-UHFFFAOYSA-N 0 0 408.479 5.380 50 5 HKBARN O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005060550 559239240 /nfs/dbraw/zinc/23/92/40/559239240.db2.gz BNNIJSHFQITTHV-HXUWFJFHSA-N 0 0 415.276 6.328 50 5 HKBARN O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005060553 559239233 /nfs/dbraw/zinc/23/92/33/559239233.db2.gz BNNIJSHFQITTHV-FQEVSTJZSA-N 0 0 415.276 6.328 50 5 HKBARN COc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 ZINC000005060675 559239235 /nfs/dbraw/zinc/23/92/35/559239235.db2.gz WYQBCCYUNHYXTC-NRFANRHFSA-N 0 0 410.857 5.683 50 5 aggregator HKBARN COc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 ZINC000005060678 559239239 /nfs/dbraw/zinc/23/92/39/559239239.db2.gz WYQBCCYUNHYXTC-OAQYLSRUSA-N 0 0 410.857 5.683 50 5 aggregator HKBARN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1cccc([N+](=O)[O-])c1 ZINC000005063578 559239385 /nfs/dbraw/zinc/23/93/85/559239385.db2.gz WMZZUZVQTQRJCO-UHFFFAOYSA-N 0 0 409.401 5.809 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1sc2cc(Cl)ccc2c1Cl ZINC000005063769 559239329 /nfs/dbraw/zinc/23/93/29/559239329.db2.gz XCJRQBVTNBMGQX-UHFFFAOYSA-N 0 0 401.658 6.022 50 5 HKBARN COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)c1OC ZINC000005065209 559239332 /nfs/dbraw/zinc/23/93/32/559239332.db2.gz PNBNHGJYKZFIDF-PTUXOGIPSA-N 0 0 402.450 5.083 50 5 HKBARN COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)c1OC ZINC000005065211 559239337 /nfs/dbraw/zinc/23/93/37/559239337.db2.gz PNBNHGJYKZFIDF-PMOQBDJRSA-N 0 0 402.450 5.083 50 5 HKBARN CC(C)(C)c1ccc(-c2nnc(SCc3c(Cl)cccc3[N+](=O)[O-])o2)cc1 ZINC000005065536 559239418 /nfs/dbraw/zinc/23/94/18/559239418.db2.gz KLESYAKTXHKWBM-UHFFFAOYSA-N 0 0 403.891 5.888 50 5 HKBARN Cc1occc1-c1nnc(Sc2ccc([N+](=O)[O-])cc2Cl)n1-c1ccccc1 ZINC000005065562 559239445 /nfs/dbraw/zinc/23/94/45/559239445.db2.gz ZLANCJNKYGBAAX-UHFFFAOYSA-N 0 0 412.858 5.549 50 5 HKBARN COc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005065628 559239425 /nfs/dbraw/zinc/23/94/25/559239425.db2.gz PEHHTIAQFYKTQX-UHFFFAOYSA-N 0 0 412.829 5.088 50 5 HKBARN Cc1cccc(-n2c3nc4ccccc4nc3c3c2nc(C)n(C2CCCC2)c3=O)c1 ZINC000005066046 559239833 /nfs/dbraw/zinc/23/98/33/559239833.db2.gz AQEVEKBQDJDEFJ-UHFFFAOYSA-N 0 0 409.493 5.016 50 5 HKBARN Cc1ccc(Cn2c3nc4ccccc4nc3c3c2nc(C)n(C2CCCC2)c3=O)cc1 ZINC000005066100 559239846 /nfs/dbraw/zinc/23/98/46/559239846.db2.gz WWOPNKULGDUSAC-UHFFFAOYSA-N 0 0 423.520 5.075 50 5 HKBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl ZINC000005068086 559239456 /nfs/dbraw/zinc/23/94/56/559239456.db2.gz PVKZINQCSCJNMC-UHFFFAOYSA-N 0 0 401.658 6.022 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)oc2c(C)c1 ZINC000005068413 559239492 /nfs/dbraw/zinc/23/94/92/559239492.db2.gz UAYKKLPBTRIEMP-UHFFFAOYSA-N 0 0 401.422 5.581 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)o1 ZINC000005071793 559241598 /nfs/dbraw/zinc/24/15/98/559241598.db2.gz LCOFVFSEVLSQHY-GHTZIAJQSA-N 0 0 409.829 5.392 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)o1 ZINC000005071796 559241609 /nfs/dbraw/zinc/24/16/09/559241609.db2.gz LCOFVFSEVLSQHY-WIYYLYMNSA-N 0 0 409.829 5.392 50 5 HKBARN O=[N+]([O-])c1ccccc1Sc1c(-c2ccccc2)nc2sc3c(n21)CCCC3 ZINC000005072042 559241582 /nfs/dbraw/zinc/24/15/82/559241582.db2.gz BANVMUFQEZFSJK-UHFFFAOYSA-N 0 0 407.520 6.001 50 5 HKBARN O=[N+]([O-])c1ccc(OC(F)F)c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000005072395 559241610 /nfs/dbraw/zinc/24/16/10/559241610.db2.gz OQGSGMTVTPDIRX-HXUWFJFHSA-N 0 0 408.364 5.185 50 5 HKBARN O=[N+]([O-])c1ccc(OC(F)F)c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000005072397 559241600 /nfs/dbraw/zinc/24/16/00/559241600.db2.gz OQGSGMTVTPDIRX-FQEVSTJZSA-N 0 0 408.364 5.185 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)o1 ZINC000005073229 559240641 /nfs/dbraw/zinc/24/06/41/559240641.db2.gz DXKJFNJEFOKSBK-UHFFFAOYSA-N 0 0 412.401 6.315 50 5 HKBARN Cc1csc2nc(-c3cccc(NC(=O)c4cc(Cl)ccc4[N+](=O)[O-])c3)cn12 ZINC000005083653 559242196 /nfs/dbraw/zinc/24/21/96/559242196.db2.gz QMNLMSGIVHRYTR-UHFFFAOYSA-N 0 0 412.858 5.185 50 5 HKBARN Cc1csc2nc(-c3ccc(NC(=O)c4cc(Cl)ccc4[N+](=O)[O-])cc3)cn12 ZINC000005083740 559242194 /nfs/dbraw/zinc/24/21/94/559242194.db2.gz IHVYWZTVOBDJPP-UHFFFAOYSA-N 0 0 412.858 5.185 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000005093093 559243426 /nfs/dbraw/zinc/24/34/26/559243426.db2.gz IODOXMKECMRPLM-UHFFFAOYSA-N 0 0 407.209 5.423 50 5 HKBARN CCOc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c([N+](=O)[O-])c1 ZINC000005093920 559243456 /nfs/dbraw/zinc/24/34/56/559243456.db2.gz IMTGKBPQHCGHEP-UHFFFAOYSA-N 0 0 400.818 5.468 50 5 HKBARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005094678 559243458 /nfs/dbraw/zinc/24/34/58/559243458.db2.gz TVBYJJJWZHJTGK-UHFFFAOYSA-N 0 0 403.649 5.353 50 5 HKBARN Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 ZINC000005094680 559243454 /nfs/dbraw/zinc/24/34/54/559243454.db2.gz NMUQBXCOJRPWJA-UHFFFAOYSA-N 0 0 401.216 5.178 50 5 HKBARN O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000005102092 559245549 /nfs/dbraw/zinc/24/55/49/559245549.db2.gz RVGLRJNWUZHJJD-UHFFFAOYSA-N 0 0 401.447 5.638 50 5 HKBARN COc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000005104389 559245578 /nfs/dbraw/zinc/24/55/78/559245578.db2.gz ZVOVUOKPDYZXRS-UHFFFAOYSA-N 0 0 412.829 5.088 50 5 HKBARN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000005105432 559245616 /nfs/dbraw/zinc/24/56/16/559245616.db2.gz BVPSALZTQKQKJZ-UHFFFAOYSA-N 0 0 412.829 5.088 50 5 HKBARN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1nc2ccccc2s1 ZINC000005105943 559245590 /nfs/dbraw/zinc/24/55/90/559245590.db2.gz MWGWJMBISPLWPW-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(F)c(F)c1)O2 ZINC000005111468 559247017 /nfs/dbraw/zinc/24/70/17/559247017.db2.gz CVPXFFKFKSORAW-RBBKRZOGSA-N 0 0 407.376 5.115 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(F)c(F)c1)O2 ZINC000005111471 559246985 /nfs/dbraw/zinc/24/69/85/559246985.db2.gz CVPXFFKFKSORAW-IFMALSPDSA-N 0 0 407.376 5.115 50 5 HKBARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000005119416 559247546 /nfs/dbraw/zinc/24/75/46/559247546.db2.gz VHKMLGBIKCLIJQ-UHFFFAOYSA-N 0 0 410.901 5.968 50 5 HKBARN Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)sc2c1 ZINC000005119524 559247552 /nfs/dbraw/zinc/24/75/52/559247552.db2.gz GGQRUYBPVDDIFA-WUXMJOGZSA-N 0 0 415.474 5.832 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(Cl)c1)O2 ZINC000005120129 559247603 /nfs/dbraw/zinc/24/76/03/559247603.db2.gz USLGAOABFQHACH-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(Cl)c1)O2 ZINC000005120132 559247636 /nfs/dbraw/zinc/24/76/36/559247636.db2.gz USLGAOABFQHACH-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000005124219 559248067 /nfs/dbraw/zinc/24/80/67/559248067.db2.gz ZOHYSEMOGPISAV-UHFFFAOYSA-N 0 0 406.482 5.080 50 5 HKBARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000005125345 559247959 /nfs/dbraw/zinc/24/79/59/559247959.db2.gz ZFCXLDTYVLJAME-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN Cc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)c1 ZINC000005125878 559248262 /nfs/dbraw/zinc/24/82/62/559248262.db2.gz RMOGHQMEASMWJG-DQSJHHFOSA-N 0 0 401.469 6.670 50 5 HKBARN O=C(Nc1ccc(-c2nc3c(ccc4ccccc34)[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005125942 559247750 /nfs/dbraw/zinc/24/77/50/559247750.db2.gz KTEITBWBRGGLEX-UHFFFAOYSA-N 0 0 408.417 5.544 50 5 HKBARN CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 ZINC000005128309 559248926 /nfs/dbraw/zinc/24/89/26/559248926.db2.gz TXHQTDUAUILZLC-IBGZPJMESA-N 0 0 408.391 5.454 50 5 HKBARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 ZINC000005128311 559248909 /nfs/dbraw/zinc/24/89/09/559248909.db2.gz TXHQTDUAUILZLC-LJQANCHMSA-N 0 0 408.391 5.454 50 5 HKBARN COP(=O)(OC)[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005128313 559248885 /nfs/dbraw/zinc/24/88/85/559248885.db2.gz IPDGZWUHOJBAGH-HNNXBMFYSA-N 0 0 404.281 5.210 50 5 HKBARN COP(=O)(OC)[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005128315 559248890 /nfs/dbraw/zinc/24/88/90/559248890.db2.gz IPDGZWUHOJBAGH-OAHLLOKOSA-N 0 0 404.281 5.210 50 5 HKBARN COc1ccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 ZINC000005128324 559248899 /nfs/dbraw/zinc/24/88/99/559248899.db2.gz YSDGPJCZDZWHJW-UHFFFAOYSA-N 0 0 401.447 5.217 50 5 HKBARN COc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2ccc(OC)cc2)cc1 ZINC000005129470 559249152 /nfs/dbraw/zinc/24/91/52/559249152.db2.gz YAKOFIRDOPFJHD-UHFFFAOYSA-N 0 0 417.425 5.042 50 5 HKBARN CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000005151765 559253995 /nfs/dbraw/zinc/25/39/95/559253995.db2.gz SMUWMLIEUPRGSF-CYBMUJFWSA-N 0 0 417.900 5.216 50 5 HKBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000005151770 559254024 /nfs/dbraw/zinc/25/40/24/559254024.db2.gz SMUWMLIEUPRGSF-ZDUSSCGKSA-N 0 0 417.900 5.216 50 5 HKBARN COc1ccc(-c2c(C)oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 ZINC000005163743 559275502 /nfs/dbraw/zinc/27/55/02/559275502.db2.gz CVCBFXYUXAVEGC-UHFFFAOYSA-N 0 0 417.417 5.264 50 5 HKBARN CCc1cccc(-n2c3nc4ccccc4nc3c3c2nc(C)n([C@H](C)CC)c3=O)c1 ZINC000005164639 559276790 /nfs/dbraw/zinc/27/67/90/559276790.db2.gz CXIKHZIYTUOKRZ-OAHLLOKOSA-N 0 0 411.509 5.125 50 5 HKBARN O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000005165918 559281272 /nfs/dbraw/zinc/28/12/72/559281272.db2.gz FNDNVOBOBVHZSO-UHFFFAOYSA-N 0 0 407.813 5.233 50 5 HKBARN CCOc1cc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)ccc1O ZINC000005170907 559287602 /nfs/dbraw/zinc/28/76/02/559287602.db2.gz DBDIISMDSGIPEH-UHFFFAOYSA-N 0 0 417.464 6.371 50 5 HKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc2c(Br)cccc12 ZINC000005172182 559287842 /nfs/dbraw/zinc/28/78/42/559287842.db2.gz SCOKNKJMGGOJHU-UHFFFAOYSA-N 0 0 405.635 5.416 50 5 HKBARN Cc1cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)ccc1[N+](=O)[O-] ZINC000005172317 559287839 /nfs/dbraw/zinc/28/78/39/559287839.db2.gz RNIWJURHQLAMDZ-UHFFFAOYSA-N 0 0 405.435 5.138 50 5 HKBARN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] ZINC000005172364 559287841 /nfs/dbraw/zinc/28/78/41/559287841.db2.gz CANBJWKTJWCWHD-UHFFFAOYSA-N 0 0 403.394 5.054 50 5 HKBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc([N+](=O)[O-])ccc1Br ZINC000005173290 559288162 /nfs/dbraw/zinc/28/81/62/559288162.db2.gz NTZXVIJJAJDWQH-UHFFFAOYSA-N 0 0 409.239 5.181 50 5 HKBARN O=C(Oc1ccc(C2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Br ZINC000005173304 559287896 /nfs/dbraw/zinc/28/78/96/559287896.db2.gz NTVXJWXUKHMPFU-UHFFFAOYSA-N 0 0 404.260 5.624 50 5 HKBARN Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 ZINC000005173404 559288256 /nfs/dbraw/zinc/28/82/56/559288256.db2.gz GDRMWGTYDTVXLQ-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1cccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000005173407 559288300 /nfs/dbraw/zinc/28/83/00/559288300.db2.gz NPRUGSGZOJAUQW-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 ZINC000005174225 559288428 /nfs/dbraw/zinc/28/84/28/559288428.db2.gz KOCHIXWJIIPTDL-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 ZINC000005174228 559288365 /nfs/dbraw/zinc/28/83/65/559288365.db2.gz QOGCYSGDLXDRAI-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc2nc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)oc2c1 ZINC000005174231 559288354 /nfs/dbraw/zinc/28/83/54/559288354.db2.gz HYAUOTDKZNUUNI-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005174235 559288369 /nfs/dbraw/zinc/28/83/69/559288369.db2.gz JMXGPVRDRHOCOO-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000005174240 559288420 /nfs/dbraw/zinc/28/84/20/559288420.db2.gz KMENVKZCCUDLEU-UHFFFAOYSA-N 0 0 409.829 5.061 50 5 HKBARN Cc1cccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)c1 ZINC000005174247 559288394 /nfs/dbraw/zinc/28/83/94/559288394.db2.gz FTQBNTYNRDNARK-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccccc1-c1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2o1 ZINC000005174250 559288403 /nfs/dbraw/zinc/28/84/03/559288403.db2.gz IDWYUAHXLFZWBU-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000005174288 559287496 /nfs/dbraw/zinc/28/74/96/559287496.db2.gz IUCBHIPVSFBHPB-UHFFFAOYSA-N 0 0 417.465 5.397 50 5 HKBARN Cc1ccc2oc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000005175611 559288545 /nfs/dbraw/zinc/28/85/45/559288545.db2.gz RDRPJOVPQGXTBZ-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc2c(ccc3ccccc32)oc1=O ZINC000005177362 559288888 /nfs/dbraw/zinc/28/88/88/559288888.db2.gz GEQIKLNBCNMVMX-JXMROGBWSA-N 0 0 410.256 5.905 50 5 HKBARN O=C(/C=C/c1cccc(Cl)c1Cl)Nc1cc2c(ccc3ccccc32)oc1=O ZINC000005185263 559290653 /nfs/dbraw/zinc/29/06/53/559290653.db2.gz FIRUTIXCGXFSDV-PKNBQFBNSA-N 0 0 410.256 5.905 50 5 HKBARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 ZINC000005193297 559291612 /nfs/dbraw/zinc/29/16/12/559291612.db2.gz PPEZDQGNJRUMRL-UHFFFAOYSA-N 0 0 415.902 5.922 50 5 HKBARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005193310 559291622 /nfs/dbraw/zinc/29/16/22/559291622.db2.gz PTTVUZVKIMLYKA-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2o1 ZINC000005197463 559291970 /nfs/dbraw/zinc/29/19/70/559291970.db2.gz STOZSEJNRIUQNP-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000005197465 559291902 /nfs/dbraw/zinc/29/19/02/559291902.db2.gz FRPZTOKDKLMQAM-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c3cc(C)ccc3n2)cc1 ZINC000005198991 559292365 /nfs/dbraw/zinc/29/23/65/559292365.db2.gz CSHCDWHJPILLBH-UHFFFAOYSA-N 0 0 413.433 5.379 50 5 HKBARN Cc1cc2c3nc4ccccc4nc3n(CCOc3ccc(Cl)cc3)c2c(C)c1 ZINC000005202145 560537541 /nfs/dbraw/zinc/53/75/41/560537541.db2.gz ROEHPYIOQPQKPZ-UHFFFAOYSA-N 0 0 401.897 6.087 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccccc3F)nc21 ZINC000005205407 560539278 /nfs/dbraw/zinc/53/92/78/560539278.db2.gz JWINUHDSFOTSEP-UHFFFAOYSA-N 0 0 408.436 5.177 50 5 HKBARN COc1ccccc1-c1nc2sc3ccccc3c(=O)c2c2nc3ccccc3n21 ZINC000005207923 560538663 /nfs/dbraw/zinc/53/86/63/560538663.db2.gz TVMZVUNJUOKBQU-UHFFFAOYSA-N 0 0 409.470 5.286 50 5 HKBARN CC(C)c1ccc([C@@H](CC(=O)c2ccc(F)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005231198 560547795 /nfs/dbraw/zinc/54/77/95/560547795.db2.gz RYLCYMBYKQPEII-HSZRJFAPSA-N 0 0 406.457 6.284 50 5 HKBARN CC(C)c1ccc([C@H](CC(=O)c2ccc(F)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005231203 560547803 /nfs/dbraw/zinc/54/78/03/560547803.db2.gz RYLCYMBYKQPEII-QHCPKHFHSA-N 0 0 406.457 6.284 50 5 HKBARN COc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000005234760 569006013 /nfs/dbraw/zinc/00/60/13/569006013.db2.gz WHVKRYLVPKBYRE-UHFFFAOYSA-N 0 0 403.482 5.246 50 5 HKBARN CCC(=O)Oc1cn(Cc2ccc(C)cc2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000005236110 560548566 /nfs/dbraw/zinc/54/85/66/560548566.db2.gz ZRDAEKVXSZKYGR-UHFFFAOYSA-N 0 0 412.493 5.072 50 5 HKBARN CCC(=O)Oc1cn(CCC2=CCCCC2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000005236123 560548565 /nfs/dbraw/zinc/54/85/65/560548565.db2.gz GIYKIJBHLMYILA-UHFFFAOYSA-N 0 0 416.525 5.606 50 5 HKBARN CCCCC(=O)Oc1cn(CCC)c2nc(CCCC)n3c4ccccc4nc3c12 ZINC000005236128 560548535 /nfs/dbraw/zinc/54/85/35/560548535.db2.gz KEBOCFOVZMLIPM-UHFFFAOYSA-N 0 0 406.530 5.685 50 5 HKBARN Cc1cccc2c(=O)c3c(O)cc(OCc4ccc(Cl)cc4Cl)cc3oc12 ZINC000005243438 560549917 /nfs/dbraw/zinc/54/99/17/560549917.db2.gz VCPQZVIFWSSEEH-UHFFFAOYSA-N 0 0 401.245 5.846 50 5 HKBARN Cc1cccc2c(=O)c3c(O)cc(OCC(=O)c4ccc5ccccc5c4)cc3oc12 ZINC000005246062 560550438 /nfs/dbraw/zinc/55/04/38/560550438.db2.gz CNFKYTKVMIRUBD-UHFFFAOYSA-N 0 0 410.425 5.375 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3cccc(C)c3)nc21 ZINC000005246404 560550555 /nfs/dbraw/zinc/55/05/55/560550555.db2.gz JHMVZZZEQFUMHT-UHFFFAOYSA-N 0 0 404.473 5.346 50 5 HKBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C(C)C)cc2)c1=O ZINC000005249609 560549181 /nfs/dbraw/zinc/54/91/81/560549181.db2.gz KECGORMLLOGTKO-MRXNPFEDSA-N 0 0 411.509 5.378 50 5 HKBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C(C)C)cc2)c1=O ZINC000005249610 560549213 /nfs/dbraw/zinc/54/92/13/560549213.db2.gz KECGORMLLOGTKO-INIZCTEOSA-N 0 0 411.509 5.378 50 5 HKBARN CCC(=O)Oc1cn(-c2ccc(CC)cc2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000005249813 560549270 /nfs/dbraw/zinc/54/92/70/560549270.db2.gz AXQPQULGFDJVOX-UHFFFAOYSA-N 0 0 412.493 5.267 50 5 HKBARN CCCCOc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005250184 560549231 /nfs/dbraw/zinc/54/92/31/560549231.db2.gz XAUSXKAYJGUTCH-XMMPIXPASA-N 0 0 418.493 6.200 50 5 HKBARN CCCCOc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005250185 560549272 /nfs/dbraw/zinc/54/92/72/560549272.db2.gz XAUSXKAYJGUTCH-DEOSSOPVSA-N 0 0 418.493 6.200 50 5 HKBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nc3ccccc3s2)c1C ZINC000005255646 560552357 /nfs/dbraw/zinc/55/23/57/560552357.db2.gz UKTOSVJCJVOKTE-UHFFFAOYSA-N 0 0 409.492 5.802 50 5 HKBARN Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2nc3ccccc3s2)c1C ZINC000005255647 560552369 /nfs/dbraw/zinc/55/23/69/560552369.db2.gz UHDDHEIUEIYVNC-UHFFFAOYSA-N 0 0 409.492 5.802 50 5 HKBARN Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(-c2nc3ccccc3s2)c1C ZINC000005255678 560552343 /nfs/dbraw/zinc/55/23/43/560552343.db2.gz FANFFUMMTGCWEZ-UHFFFAOYSA-N 0 0 409.492 5.802 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000005257995 560550984 /nfs/dbraw/zinc/55/09/84/560550984.db2.gz XLLIGVYVRVMLOV-VMMLISQSSA-N 0 0 414.421 5.524 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000005257997 560551003 /nfs/dbraw/zinc/55/10/03/560551003.db2.gz XLLIGVYVRVMLOV-ZWPAVUJESA-N 0 0 414.421 5.524 50 5 HKBARN O=[N+]([O-])c1cccc(/C=C/C2=NN(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000005258001 560550958 /nfs/dbraw/zinc/55/09/58/560550958.db2.gz ODPJNJWJQDSAJI-OTOIZHKDSA-N 0 0 414.421 5.524 50 5 HKBARN O=[N+]([O-])c1cccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000005258003 560551030 /nfs/dbraw/zinc/55/10/30/560551030.db2.gz ODPJNJWJQDSAJI-MDRMPYQZSA-N 0 0 414.421 5.524 50 5 HKBARN CCOc1ccc(N[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000005261914 560552826 /nfs/dbraw/zinc/55/28/26/560552826.db2.gz WMZCXEUSQYAPLR-QFIPXVFZSA-N 0 0 405.454 5.094 50 5 HKBARN CCOc1ccc(N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000005261915 560552828 /nfs/dbraw/zinc/55/28/28/560552828.db2.gz WMZCXEUSQYAPLR-JOCHJYFZSA-N 0 0 405.454 5.094 50 5 HKBARN Cc1cccc2c(=O)c3c(O)cc(OCc4ccc(Br)cc4)cc3oc12 ZINC000005268433 560558131 /nfs/dbraw/zinc/55/81/31/560558131.db2.gz KPIVMCDASWKYEQ-UHFFFAOYSA-N 0 0 411.251 5.302 50 5 HKBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccccc3Cl)nc21 ZINC000005271430 560561048 /nfs/dbraw/zinc/56/10/48/560561048.db2.gz JGQKNVRLLPBNIN-UHFFFAOYSA-N 0 0 410.864 5.208 50 5 HKBARN COc1ccc(COCCCn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 ZINC000005272217 560561108 /nfs/dbraw/zinc/56/11/08/560561108.db2.gz FZVNCSGMBQWQAK-UHFFFAOYSA-N 0 0 411.505 5.662 50 5 HKBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2CCC2=CCCCC2)c1=O ZINC000005278239 560561735 /nfs/dbraw/zinc/56/17/35/560561735.db2.gz YIPIUIDGPLBGKB-INIZCTEOSA-N 0 0 415.541 5.464 50 5 HKBARN CC(C)(C)c1ccc(COc2ccsc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005293235 560562217 /nfs/dbraw/zinc/56/22/17/560562217.db2.gz FWMBBOGIUJOLBT-UHFFFAOYSA-N 0 0 410.495 5.785 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccccc1Cl ZINC000005296404 560562452 /nfs/dbraw/zinc/56/24/52/560562452.db2.gz LTXGHTWBKNSSJK-BUHFOSPRSA-N 0 0 403.825 5.118 50 5 HKBARN Cc1cccc2c(=O)c3c(O)cc(OCc4cccc(Br)c4)cc3oc12 ZINC000005303304 560562942 /nfs/dbraw/zinc/56/29/42/560562942.db2.gz HUTTUJLOBSFURQ-UHFFFAOYSA-N 0 0 411.251 5.302 50 5 HKBARN Cc1cc2c3nc4ccccc4nc3n(CCCOc3ccc(Cl)cc3)c2c(C)c1 ZINC000005303332 560562973 /nfs/dbraw/zinc/56/29/73/560562973.db2.gz NZZKWMYGCMTIPN-UHFFFAOYSA-N 0 0 415.924 6.477 50 5 HKBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1cccc2ccccc21 ZINC000005303422 560562974 /nfs/dbraw/zinc/56/29/74/560562974.db2.gz REMVUJOSBBVIMT-UHFFFAOYSA-N 0 0 419.484 5.979 50 5 HKBARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2)nc1 ZINC000005308988 560563708 /nfs/dbraw/zinc/56/37/08/560563708.db2.gz ASJBBPVYRUPDBW-UHFFFAOYSA-N 0 0 419.481 5.650 50 5 HKBARN CCCCCOc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC ZINC000005318651 569289487 /nfs/dbraw/zinc/28/94/87/569289487.db2.gz VLKKTRLKFLMRCN-UHFFFAOYSA-N 0 0 412.493 5.904 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccc(C)cc3)nc21 ZINC000005322447 560568361 /nfs/dbraw/zinc/56/83/61/560568361.db2.gz IRGIFCTVLJDMEB-UHFFFAOYSA-N 0 0 404.473 5.346 50 5 HKBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccc(Cl)cc3)nc21 ZINC000005322482 560568422 /nfs/dbraw/zinc/56/84/22/560568422.db2.gz LMIYKJNXZFRVEF-UHFFFAOYSA-N 0 0 410.864 5.208 50 5 HKBARN Cc1ccc(C)c2c1c1nc3ccccc3nc1n2CCOc1ccc(Cl)cc1 ZINC000005322889 560568539 /nfs/dbraw/zinc/56/85/39/560568539.db2.gz MCQHZXXFFKNKSL-UHFFFAOYSA-N 0 0 401.897 6.087 50 5 HKBARN Cc1cccc2c(=O)c3c(O)cc(OCc4c(Cl)cccc4Cl)cc3oc12 ZINC000005323521 560568894 /nfs/dbraw/zinc/56/88/94/560568894.db2.gz PLUCCAUOUOTLJM-UHFFFAOYSA-N 0 0 401.245 5.846 50 5 HKBARN COc1ccccc1OCCCn1c2nc3ccccc3nc2c2cc(C)cc(C)c21 ZINC000005324456 560565024 /nfs/dbraw/zinc/56/50/24/560565024.db2.gz OVFGMCAFDRRJIL-UHFFFAOYSA-N 0 0 411.505 5.832 50 5 HKBARN Cc1ccc(C)c2c1c1nc3ccccc3nc1n2CCOc1ccccc1Cl ZINC000005324510 560565012 /nfs/dbraw/zinc/56/50/12/560565012.db2.gz RCJGRKMYHBFGFW-UHFFFAOYSA-N 0 0 401.897 6.087 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccccc3C)nc21 ZINC000005324977 560565205 /nfs/dbraw/zinc/56/52/05/560565205.db2.gz IMNFGCFTMGVVGH-UHFFFAOYSA-N 0 0 404.473 5.346 50 5 HKBARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005328871 560564830 /nfs/dbraw/zinc/56/48/30/560564830.db2.gz YDMGLHKFEJZFHP-UHFFFAOYSA-N 0 0 410.040 5.226 50 5 HKBARN Cc1ccc(C2=N/C(=C\c3c4ccccc4cc4ccccc43)C(=O)O2)cc1[N+](=O)[O-] ZINC000005342728 560567963 /nfs/dbraw/zinc/56/79/63/560567963.db2.gz OBPKXGRYPIMXOL-HMAPJEAMSA-N 0 0 408.413 5.554 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(CCc3ccccc3)nc21 ZINC000005345922 560570111 /nfs/dbraw/zinc/57/01/11/560570111.db2.gz INPBCTOMVQEREM-UHFFFAOYSA-N 0 0 418.500 5.156 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccc(F)cc3)nc21 ZINC000005351334 560568996 /nfs/dbraw/zinc/56/89/96/560568996.db2.gz XFGKCCXFMFBKPG-UHFFFAOYSA-N 0 0 408.436 5.177 50 5 HKBARN Cc1noc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1-c1ccccc1 ZINC000005354593 560569478 /nfs/dbraw/zinc/56/94/78/560569478.db2.gz LUCQWJOKBGEMBW-UHFFFAOYSA-N 0 0 402.406 5.510 50 5 HKBARN CC(=O)n1c2ccccc2c2c1sc(N1CCCCC1)c2-c1ccc([N+](=O)[O-])cc1 ZINC000005383522 560625422 /nfs/dbraw/zinc/62/54/22/560625422.db2.gz PIYBFPRPWMQVID-UHFFFAOYSA-N 0 0 419.506 6.082 50 5 HKBARN CC(C)CCOc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000005384214 560625424 /nfs/dbraw/zinc/62/54/24/560625424.db2.gz AGGLMZHMQAREGV-UHFFFAOYSA-N 0 0 411.483 5.396 50 5 HKBARN Cc1cccc2c(=O)c3c(O)cc(OCc4ccc(Cl)c(Cl)c4)cc3oc12 ZINC000005428512 560585999 /nfs/dbraw/zinc/58/59/99/560585999.db2.gz ODNCFOYAILTCTB-UHFFFAOYSA-N 0 0 401.245 5.846 50 5 HKBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000005445026 560587969 /nfs/dbraw/zinc/58/79/69/560587969.db2.gz FIHSXHOJFIQORV-NRFANRHFSA-N 0 0 405.841 5.240 50 5 HKBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000005445029 560588058 /nfs/dbraw/zinc/58/80/58/560588058.db2.gz FIHSXHOJFIQORV-OAQYLSRUSA-N 0 0 405.841 5.240 50 5 HKBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000005445039 560588042 /nfs/dbraw/zinc/58/80/42/560588042.db2.gz DDNNWOUFZMOSDO-FQEVSTJZSA-N 0 0 405.841 5.240 50 5 HKBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000005445041 560588048 /nfs/dbraw/zinc/58/80/48/560588048.db2.gz DDNNWOUFZMOSDO-HXUWFJFHSA-N 0 0 405.841 5.240 50 5 HKBARN CCOC(=O)c1c(N)sc(Sc2ccccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000005445161 560588055 /nfs/dbraw/zinc/58/80/55/560588055.db2.gz SJVZCBWKPQETIE-UHFFFAOYSA-N 0 0 400.481 5.233 50 5 HKBARN CC[P@@](=Nc1cccc([N+](=O)[O-])c1)(c1c(C)nn(-c2ccccc2)c1C)N(C)C ZINC000005445378 560588061 /nfs/dbraw/zinc/58/80/61/560588061.db2.gz PPDOJCRFYPLYSQ-LJAQVGFWSA-N 0 0 411.446 5.052 50 5 HKBARN CC[P@](=Nc1cccc([N+](=O)[O-])c1)(c1c(C)nn(-c2ccccc2)c1C)N(C)C ZINC000005445379 560588021 /nfs/dbraw/zinc/58/80/21/560588021.db2.gz PPDOJCRFYPLYSQ-GDLZYMKVSA-N 0 0 411.446 5.052 50 5 HKBARN O=[N+]([O-])c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)o1 ZINC000005445412 560588020 /nfs/dbraw/zinc/58/80/20/560588020.db2.gz YXPYBBHZKWQBHR-UHFFFAOYSA-N 0 0 405.460 5.996 50 5 HKBARN COCCO[P@@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1ccc(C)o1)C(C)(C)C ZINC000005445743 560588213 /nfs/dbraw/zinc/58/82/13/560588213.db2.gz JZYRAIBJAREGHY-NDEPHWFRSA-N 0 0 410.407 5.040 50 5 HKBARN COCCO[P@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1ccc(C)o1)C(C)(C)C ZINC000005445744 560588233 /nfs/dbraw/zinc/58/82/33/560588233.db2.gz JZYRAIBJAREGHY-MUUNZHRXSA-N 0 0 410.407 5.040 50 5 HKBARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005446043 535375366 /nfs/dbraw/zinc/37/53/66/535375366.db2.gz HXCUEZNSQDSCOC-UHFFFAOYSA-N 0 0 409.530 6.084 50 5 HKBARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005446731 132305795 /nfs/dbraw/zinc/30/57/95/132305795.db2.gz QKCXYUBGKQDIJP-UHFFFAOYSA-N 0 0 416.890 5.101 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000005446891 560589022 /nfs/dbraw/zinc/58/90/22/560589022.db2.gz JYAABZANOHZQOA-UHFFFAOYSA-N 0 0 418.389 6.621 50 5 HKBARN O=[N+]([O-])c1cccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 ZINC000005446892 560588959 /nfs/dbraw/zinc/58/89/59/560588959.db2.gz XTCXVRQOLWMUGN-UHFFFAOYSA-N 0 0 404.362 6.312 50 5 HKBARN CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 ZINC000005446979 560587589 /nfs/dbraw/zinc/58/75/89/560587589.db2.gz JYVKYQQXVKZVHR-MHECFPHRSA-N 0 0 416.481 5.208 50 5 HKBARN CCCCC(=O)Oc1cn(CCCC)c2nc(CCCC)n3c4ccccc4nc3c12 ZINC000005458100 560591653 /nfs/dbraw/zinc/59/16/53/560591653.db2.gz VDWPARFPJVHTIR-UHFFFAOYSA-N 0 0 420.557 6.076 50 5 HKBARN COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2cccc(C)c2)cc1 ZINC000005477953 560594950 /nfs/dbraw/zinc/59/49/50/560594950.db2.gz RKIFKCUXJIXJBC-UHFFFAOYSA-N 0 0 403.485 6.415 50 5 HKBARN Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)cc1 ZINC000005478276 560595136 /nfs/dbraw/zinc/59/51/36/560595136.db2.gz RIOUWHCDNWASAY-UHFFFAOYSA-N 0 0 406.467 5.095 50 5 HKBARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000005478747 560593142 /nfs/dbraw/zinc/59/31/42/560593142.db2.gz QFPPWACZMOUQTR-UHFFFAOYSA-N 0 0 407.426 5.236 50 5 HKBARN CCCCc1ccc(-n2cc(OC(C)=O)c3c4nc5ccccc5n4c(C)nc32)cc1 ZINC000005484690 560596997 /nfs/dbraw/zinc/59/69/97/560596997.db2.gz OSCFGMRWZJPLFP-UHFFFAOYSA-N 0 0 412.493 5.403 50 5 HKBARN CC(C)(C)[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCCCC1 ZINC000005496428 560598096 /nfs/dbraw/zinc/59/80/96/560598096.db2.gz KWDLYFFKYXFGEC-MUUNZHRXSA-N 0 0 400.463 5.738 50 5 HKBARN CC(C)(C)[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCCCC1 ZINC000005496500 560598133 /nfs/dbraw/zinc/59/81/33/560598133.db2.gz KWDLYFFKYXFGEC-NDEPHWFRSA-N 0 0 400.463 5.738 50 5 HKBARN CC/N=c1/sc2c(c3ccccc3c3ccccc23)n1-c1cccc2ccccc21 ZINC000005499257 557658144 /nfs/dbraw/zinc/65/81/44/557658144.db2.gz HIGWICFOUSJDEC-BYYHNAKLSA-N 0 0 404.538 7.072 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005500128 560598377 /nfs/dbraw/zinc/59/83/77/560598377.db2.gz YBBPSWHLGJXAQU-CSKARUKUSA-N 0 0 409.854 5.179 50 5 HKBARN Cc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)c1 ZINC000005500617 560600984 /nfs/dbraw/zinc/60/09/84/560600984.db2.gz SIWRTCAQLLQAHS-UHFFFAOYSA-N 0 0 406.467 5.095 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)C1CCCCC1)c1ccccc1 ZINC000005506290 560598944 /nfs/dbraw/zinc/59/89/44/560598944.db2.gz SZBIDGWXMNGXJH-IBGZPJMESA-N 0 0 416.861 5.052 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)C1CCCCC1)c1ccccc1 ZINC000005506292 560598926 /nfs/dbraw/zinc/59/89/26/560598926.db2.gz SZBIDGWXMNGXJH-LJQANCHMSA-N 0 0 416.861 5.052 50 5 HKBARN CC[C@@H](C)n1cc(OC(=O)CC(C)C)c2c3nc4ccccc4n3c(CC(C)C)nc21 ZINC000005516015 560603979 /nfs/dbraw/zinc/60/39/79/560603979.db2.gz AWYQRTRXYPUKIJ-QGZVFWFLSA-N 0 0 420.557 5.958 50 5 HKBARN CC[C@H](C)n1cc(OC(=O)CC(C)C)c2c3nc4ccccc4n3c(CC(C)C)nc21 ZINC000005516016 560603955 /nfs/dbraw/zinc/60/39/55/560603955.db2.gz AWYQRTRXYPUKIJ-KRWDZBQOSA-N 0 0 420.557 5.958 50 5 HKBARN Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)/C=C/c3ccccc3)c21 ZINC000005516337 560604319 /nfs/dbraw/zinc/60/43/19/560604319.db2.gz RWUZPQHPMURZLS-CCEZHUSRSA-N 0 0 407.473 5.303 50 5 HKBARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000005519214 560602547 /nfs/dbraw/zinc/60/25/47/560602547.db2.gz XMJGEFRNAXUMGQ-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(C1CCCCC1)C1CCCCC1 ZINC000005525411 132306547 /nfs/dbraw/zinc/30/65/47/132306547.db2.gz LQALTMQWDDPQRM-UHFFFAOYSA-N 0 0 413.562 5.693 50 5 HKBARN CCCCOC(=O)COc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc21 ZINC000005554549 557661563 /nfs/dbraw/zinc/66/15/63/557661563.db2.gz BIABVYBOFSEIIF-UHFFFAOYSA-N 0 0 402.446 5.335 50 5 HKBARN O=C(OCc1c(Cl)cccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005560533 560611529 /nfs/dbraw/zinc/61/15/29/560611529.db2.gz ZOONBPLVRVWLTO-UHFFFAOYSA-N 0 0 409.269 5.249 50 5 HKBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1c2ccccc2CCc2ccccc21 ZINC000005572411 560623837 /nfs/dbraw/zinc/62/38/37/560623837.db2.gz OUODFMVILPHRAI-UHFFFAOYSA-N 0 0 413.477 5.272 50 5 HKBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1c2ccccc2Sc2ccccc21 ZINC000005572416 132306812 /nfs/dbraw/zinc/30/68/12/132306812.db2.gz VUXMFYIRLKILBG-UHFFFAOYSA-N 0 0 417.490 5.638 50 5 HKBARN Cc1ccc2oc(-c3ccc(Nc4c5ccccc5oc(=O)c4[N+](=O)[O-])cc3)nc2c1 ZINC000005588167 560626833 /nfs/dbraw/zinc/62/68/33/560626833.db2.gz GTBIZZYRNAJZJI-UHFFFAOYSA-N 0 0 413.389 5.561 50 5 HKBARN Cc1ccc(Cl)cc1NC(=O)CCCn1c2ccccc2c(=O)c2ccccc21 ZINC000005589138 557663667 /nfs/dbraw/zinc/66/36/67/557663667.db2.gz YALXJQIYTCGDRJ-UHFFFAOYSA-N 0 0 404.897 5.535 50 5 HKBARN O=C(CSCc1nc2ccccc2c2ccccc12)Nc1ccc2ccccc2c1 ZINC000005590387 557663583 /nfs/dbraw/zinc/66/35/83/557663583.db2.gz AUZKJYAQVCANEE-UHFFFAOYSA-N 0 0 408.526 6.413 50 5 HKBARN COc1ccc(-c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1OC ZINC000005595682 560627780 /nfs/dbraw/zinc/62/77/80/560627780.db2.gz KJQSBWBIILXGKB-UHFFFAOYSA-N 0 0 401.422 5.336 50 5 HKBARN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000005617922 560630747 /nfs/dbraw/zinc/63/07/47/560630747.db2.gz OYIHIDGIKOUGMY-UHFFFAOYSA-N 0 0 401.397 5.510 50 5 HKBARN Cc1ccccc1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005620192 560631379 /nfs/dbraw/zinc/63/13/79/560631379.db2.gz JOYKNJHDNUDPSV-DEOSSOPVSA-N 0 0 411.461 5.172 50 5 HKBARN Cc1ccccc1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005620199 560631637 /nfs/dbraw/zinc/63/16/37/560631637.db2.gz JOYKNJHDNUDPSV-XMMPIXPASA-N 0 0 411.461 5.172 50 5 HKBARN Cc1cc(C)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000005637616 132307179 /nfs/dbraw/zinc/30/71/79/132307179.db2.gz GGJBZEUCCGSHRS-UHFFFAOYSA-N 0 0 401.894 5.354 50 5 HKBARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000005638204 132307279 /nfs/dbraw/zinc/30/72/79/132307279.db2.gz RINSEHUJCZLXMN-UHFFFAOYSA-N 0 0 417.893 5.054 50 5 HKBARN Cc1cc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc12 ZINC000005658512 560636993 /nfs/dbraw/zinc/63/69/93/560636993.db2.gz QHCMFJMQMGXRRW-LBPRGKRZSA-N 0 0 401.875 5.224 50 5 HKBARN Cc1cc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc12 ZINC000005658515 560636978 /nfs/dbraw/zinc/63/69/78/560636978.db2.gz QHCMFJMQMGXRRW-GFCCVEGCSA-N 0 0 401.875 5.224 50 5 HKBARN CCNc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000005660040 560641721 /nfs/dbraw/zinc/64/17/21/560641721.db2.gz MEBPPEPTYKBCNF-UHFFFAOYSA-N 0 0 410.470 5.114 50 5 HKBARN COc1ccc2nc3ccccc3nc2c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000005671037 560773041 /nfs/dbraw/zinc/77/30/41/560773041.db2.gz BDNZSSYMOREWKS-UHFFFAOYSA-N 0 0 413.264 5.742 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(COc2ccccc2Cl)c1 ZINC000005675471 560775629 /nfs/dbraw/zinc/77/56/29/560775629.db2.gz DFWMLEYPYKCUAH-UHFFFAOYSA-N 0 0 412.829 5.088 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000005678169 560776666 /nfs/dbraw/zinc/77/66/66/560776666.db2.gz CQUDOVWJOLUIOS-UHFFFAOYSA-N 0 0 401.737 5.041 50 5 HKBARN Cc1c2nc(-c3c4ccccc4cc4ccccc43)c(=O)cc-2n(-c2ccccc2)n1C ZINC000005678704 557668650 /nfs/dbraw/zinc/66/86/50/557668650.db2.gz SPGLABJGNXZKGG-UHFFFAOYSA-N 0 0 415.496 5.958 50 5 HKBARN COc1ccc(C(=O)OCC[C@H](Nc2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000005688310 560784119 /nfs/dbraw/zinc/78/41/19/560784119.db2.gz JDUPKIXNGPYELC-NRFANRHFSA-N 0 0 420.465 5.312 50 5 HKBARN COc1ccc(C(=O)OCC[C@@H](Nc2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000005688311 560784117 /nfs/dbraw/zinc/78/41/17/560784117.db2.gz JDUPKIXNGPYELC-OAQYLSRUSA-N 0 0 420.465 5.312 50 5 HKBARN CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc2)cc1 ZINC000005689686 560785245 /nfs/dbraw/zinc/78/52/45/560785245.db2.gz VQMSQRCLJSAWOV-UHFFFAOYSA-N 0 0 419.481 5.306 50 5 HKBARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005703331 560798628 /nfs/dbraw/zinc/79/86/28/560798628.db2.gz GPJIFGAJDQUFDV-FMIVXFBMSA-N 0 0 415.405 5.064 50 5 HKBARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000005710212 560805008 /nfs/dbraw/zinc/80/50/08/560805008.db2.gz GKBQVLDXUKMPCX-UHFFFAOYSA-N 0 0 410.451 5.061 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1 ZINC000005729614 560857286 /nfs/dbraw/zinc/85/72/86/560857286.db2.gz FOFKJKPREGGSND-UHFFFAOYSA-N 0 0 410.260 6.626 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000005736167 560860424 /nfs/dbraw/zinc/86/04/24/560860424.db2.gz WETZNLGDQIQARW-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000005736192 560860347 /nfs/dbraw/zinc/86/03/47/560860347.db2.gz WETZNLGDQIQARW-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)cc1 ZINC000005739427 560860423 /nfs/dbraw/zinc/86/04/23/560860423.db2.gz ZKSBYIAJWVEICK-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)c1 ZINC000005739435 560860384 /nfs/dbraw/zinc/86/03/84/560860384.db2.gz MRHZZVFWTCWBFO-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)cc1 ZINC000005739535 560860398 /nfs/dbraw/zinc/86/03/98/560860398.db2.gz ZKSBYIAJWVEICK-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)c1 ZINC000005739542 560860414 /nfs/dbraw/zinc/86/04/14/560860414.db2.gz MRHZZVFWTCWBFO-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1-c1nc2cc3ccccc3cc2nc1-c1ccccc1 ZINC000005745760 560869129 /nfs/dbraw/zinc/86/91/29/560869129.db2.gz DXYLQUAUHMBKDR-UHFFFAOYSA-N 0 0 407.429 6.034 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)o1 ZINC000005750716 560883483 /nfs/dbraw/zinc/88/34/83/560883483.db2.gz LCOFVFSEVLSQHY-NQIIRXRSSA-N 0 0 409.829 5.392 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000005795506 568734290 /nfs/dbraw/zinc/73/42/90/568734290.db2.gz GKCCIUGRENDEJI-UHFFFAOYSA-N 0 0 415.449 6.087 50 5 HKBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(F)c(F)cc1Cl ZINC000005830632 568825126 /nfs/dbraw/zinc/82/51/26/568825126.db2.gz VPGXGXGROMARCR-UHFFFAOYSA-N 0 0 400.764 5.235 50 5 HKBARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005851694 568825880 /nfs/dbraw/zinc/82/58/80/568825880.db2.gz QKNLBIOIEUXMSM-UHFFFAOYSA-N 0 0 418.877 5.291 50 5 HKBARN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1C(F)(F)F ZINC000005869291 568826477 /nfs/dbraw/zinc/82/64/77/568826477.db2.gz MYHVLQJQOPMVDF-ZRDIBKRKSA-N 0 0 402.328 5.526 50 5 HKBARN COc1ccc(NC(=O)[C@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)cc1Cl ZINC000005869433 568827188 /nfs/dbraw/zinc/82/71/88/568827188.db2.gz IYNHABNVBYJLHQ-HXUWFJFHSA-N 0 0 412.829 5.016 50 5 HKBARN COc1ccc(NC(=O)[C@@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)cc1Cl ZINC000005869434 568827174 /nfs/dbraw/zinc/82/71/74/568827174.db2.gz IYNHABNVBYJLHQ-FQEVSTJZSA-N 0 0 412.829 5.016 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000005900158 568828827 /nfs/dbraw/zinc/82/88/27/568828827.db2.gz SHJWPRPSVQCKGQ-UHFFFAOYSA-N 0 0 410.842 5.172 50 5 HKBARN FC(F)(F)c1cccc(-c2nc3cc4ccccc4cc3nc2-c2ccccc2)c1 ZINC000005902283 568828901 /nfs/dbraw/zinc/82/89/01/568828901.db2.gz XLRPEQHWHRGZCT-UHFFFAOYSA-N 0 0 400.403 7.136 50 5 HKBARN COc1ccc(-c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c2-c2nc3ccccc3[nH]2)cc1 ZINC000005902995 568828983 /nfs/dbraw/zinc/82/89/83/568828983.db2.gz VQHSFQRNIYTXPV-UHFFFAOYSA-N 0 0 411.421 5.204 50 5 HKBARN COc1ccc(CSc2nc3ccc(C(F)(F)F)cc3s2)cc1[N+](=O)[O-] ZINC000005918392 568829413 /nfs/dbraw/zinc/82/94/13/568829413.db2.gz JFZCKDNIQPDLSH-UHFFFAOYSA-N 0 0 400.403 5.524 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2nc(-c3cccs3)nc3ccccc32)c2ncccc12 ZINC000005937520 568830816 /nfs/dbraw/zinc/83/08/16/568830816.db2.gz LIFSQFHZKCHKDC-UHFFFAOYSA-N 0 0 400.419 5.607 50 5 HKBARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005938192 568831135 /nfs/dbraw/zinc/83/11/35/568831135.db2.gz FDLAFROZGLGZIA-UHFFFAOYSA-N 0 0 405.888 5.103 50 5 HKBARN CC[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1c(C)nn(-c2ccccc2)c1C)N(C)C ZINC000005938711 568830692 /nfs/dbraw/zinc/83/06/92/568830692.db2.gz UQDBOGALLPJZFM-LJAQVGFWSA-N 0 0 411.446 5.052 50 5 HKBARN CC[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1c(C)nn(-c2ccccc2)c1C)N(C)C ZINC000005938712 568830697 /nfs/dbraw/zinc/83/06/97/568830697.db2.gz UQDBOGALLPJZFM-GDLZYMKVSA-N 0 0 411.446 5.052 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000005940560 568829980 /nfs/dbraw/zinc/82/99/80/568829980.db2.gz QLPSLOZRDGLSRO-UHFFFAOYSA-N 0 0 405.841 5.981 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(SC)cc2)nc1-c1ccccc1 ZINC000005940565 568830070 /nfs/dbraw/zinc/83/00/70/568830070.db2.gz AADBEOVPIYTSEY-UHFFFAOYSA-N 0 0 417.490 6.049 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2cccc(Cl)c2)nc1-c1ccccc1 ZINC000005940568 568830034 /nfs/dbraw/zinc/83/00/34/568830034.db2.gz ZSRHYFSYHCSJPU-UHFFFAOYSA-N 0 0 405.841 5.981 50 5 HKBARN O=C(Nc1ccc2ccccc2c1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000005949300 568831897 /nfs/dbraw/zinc/83/18/97/568831897.db2.gz BKWSVIQLVAMVOO-UHFFFAOYSA-N 0 0 416.481 5.122 50 5 HKBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005960484 568831829 /nfs/dbraw/zinc/83/18/29/568831829.db2.gz SHCYXJMYRRBSLF-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000005960494 568831878 /nfs/dbraw/zinc/83/18/78/568831878.db2.gz GJYVGDHKWVHXSN-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005971688 568833197 /nfs/dbraw/zinc/83/31/97/568833197.db2.gz NHSYMFJTTUDZKA-UHFFFAOYSA-N 0 0 405.888 5.103 50 5 HKBARN COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1OCCC(C)C ZINC000005976925 569260525 /nfs/dbraw/zinc/26/05/25/569260525.db2.gz HHJCWEVTLOHDDA-UHFFFAOYSA-N 0 0 412.493 5.760 50 5 HKBARN Cc1cc(OCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1Cl ZINC000005994098 568834588 /nfs/dbraw/zinc/83/45/88/568834588.db2.gz SMGWLGFXKVEYDN-UHFFFAOYSA-N 0 0 408.837 5.030 50 5 HKBARN O=C(Nc1ccccc1SCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000006017353 568835460 /nfs/dbraw/zinc/83/54/60/568835460.db2.gz URGJSPFDSBVPQQ-UHFFFAOYSA-N 0 0 404.451 5.016 50 5 HKBARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc([N+](=O)[O-])cc1)O2 ZINC000006048349 568976297 /nfs/dbraw/zinc/97/62/97/568976297.db2.gz GXUDIOOBPKWLQF-UPVQGACJSA-N 0 0 415.449 5.236 50 5 HKBARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000006048352 568976292 /nfs/dbraw/zinc/97/62/92/568976292.db2.gz XPIBSSHOTNSFOU-UPVQGACJSA-N 0 0 415.449 5.236 50 5 HKBARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc([N+](=O)[O-])cc1)O2 ZINC000006048367 568976251 /nfs/dbraw/zinc/97/62/51/568976251.db2.gz GXUDIOOBPKWLQF-VWNXMTODSA-N 0 0 415.449 5.236 50 5 HKBARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000006048369 568976289 /nfs/dbraw/zinc/97/62/89/568976289.db2.gz XPIBSSHOTNSFOU-VWNXMTODSA-N 0 0 415.449 5.236 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000006053941 568987906 /nfs/dbraw/zinc/98/79/06/568987906.db2.gz PGBHVDKMBSBQQB-DGXIYAMASA-N 0 0 411.461 5.038 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000006053943 568987774 /nfs/dbraw/zinc/98/77/74/568987774.db2.gz PGBHVDKMBSBQQB-TWLJRWAQSA-N 0 0 411.461 5.038 50 5 HKBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1c2ccccc2Sc2ccccc21 ZINC000006062557 132309020 /nfs/dbraw/zinc/30/90/20/132309020.db2.gz ARCJLNCXOGQVBQ-UHFFFAOYSA-N 0 0 412.854 5.457 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 ZINC000006091391 569000873 /nfs/dbraw/zinc/00/08/73/569000873.db2.gz VYHJVDRPUYRQCL-UHFFFAOYSA-N 0 0 403.872 5.805 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)c1 ZINC000006143775 569014420 /nfs/dbraw/zinc/01/44/20/569014420.db2.gz KWGMXKLFGLTSKY-UHFFFAOYSA-N 0 0 419.803 5.336 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)cc1 ZINC000006143776 569014467 /nfs/dbraw/zinc/01/44/67/569014467.db2.gz HGIRUTAPRTYRHL-UHFFFAOYSA-N 0 0 419.803 5.336 50 5 HKBARN CCOC(=O)c1c(C)n(Cc2ccco2)c2cc(-c3cccc([N+](=O)[O-])c3)c(O)cc21 ZINC000006144386 569014465 /nfs/dbraw/zinc/01/44/65/569014465.db2.gz SDAKQQROGLVCOU-UHFFFAOYSA-N 0 0 420.421 5.049 50 5 HKBARN Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1Cl ZINC000006148343 569015010 /nfs/dbraw/zinc/01/50/10/569015010.db2.gz CSLUFRGUMYJKJJ-UHFFFAOYSA-N 0 0 415.840 5.506 50 5 HKBARN CSc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000006154031 569015337 /nfs/dbraw/zinc/01/53/37/569015337.db2.gz OVAUMZMXSNRCEE-UHFFFAOYSA-N 0 0 404.451 5.112 50 5 HKBARN COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000006160539 569015527 /nfs/dbraw/zinc/01/55/27/569015527.db2.gz WLLRLIYDKAFJFN-UHFFFAOYSA-N 0 0 407.451 5.398 50 5 HKBARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006177318 132309448 /nfs/dbraw/zinc/30/94/48/132309448.db2.gz HUIHOZOTCUVPAF-QRWLVFNGSA-N 0 0 421.884 5.840 50 5 HKBARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006177323 132309535 /nfs/dbraw/zinc/30/95/35/132309535.db2.gz HUIHOZOTCUVPAF-FOIQADDNSA-N 0 0 421.884 5.840 50 5 HKBARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006177527 132309450 /nfs/dbraw/zinc/30/94/50/132309450.db2.gz HUIHOZOTCUVPAF-YWZLYKJASA-N 0 0 421.884 5.840 50 5 HKBARN CC(C)Cn1c2ccccc2nc1SCc1cc(=O)oc2ccc3ccccc3c12 ZINC000006186900 569029449 /nfs/dbraw/zinc/02/94/49/569029449.db2.gz IGZMSHHUZJMEGR-UHFFFAOYSA-N 0 0 414.530 6.244 50 5 HKBARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000006221163 569033492 /nfs/dbraw/zinc/03/34/92/569033492.db2.gz AMBICIPLRRIJAA-UHFFFAOYSA-N 0 0 403.221 5.946 50 5 HKBARN Cc1cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)ccc1[N+](=O)[O-] ZINC000006281354 569037265 /nfs/dbraw/zinc/03/72/65/569037265.db2.gz BOMYOECRGCQVET-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006281636 569037235 /nfs/dbraw/zinc/03/72/35/569037235.db2.gz YPHAQHLVWUIZER-UHFFFAOYSA-N 0 0 415.453 5.013 50 5 HKBARN CCCCCSc1nc2ccccc2n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000006294204 569038105 /nfs/dbraw/zinc/03/81/05/569038105.db2.gz IHWRIIMLSZZFLW-UHFFFAOYSA-N 0 0 413.499 5.142 50 5 HKBARN COc1cc(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc(OC)c1O ZINC000006294797 569038035 /nfs/dbraw/zinc/03/80/35/569038035.db2.gz FCOKMUVJXCHDHM-UHFFFAOYSA-N 0 0 417.421 5.042 50 5 HKBARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006313466 132310321 /nfs/dbraw/zinc/31/03/21/132310321.db2.gz WAPXARSQNCDLSV-UHFFFAOYSA-N 0 0 411.502 5.144 50 5 HKBARN CCCCCOc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000006322517 569043110 /nfs/dbraw/zinc/04/31/10/569043110.db2.gz KPSBPZKEGOONRB-UHFFFAOYSA-N 0 0 411.483 5.540 50 5 HKBARN O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006347010 132310486 /nfs/dbraw/zinc/31/04/86/132310486.db2.gz OWPHBGYQRFAKBW-UHFFFAOYSA-N 0 0 416.433 5.704 50 5 HKBARN Cc1c(C(c2ccc([N+](=O)[O-])o2)c2c(C)n(C)c3ccccc32)c2ccccc2n1C ZINC000006369983 569045925 /nfs/dbraw/zinc/04/59/25/569045925.db2.gz RROSEOCZIKEMDN-UHFFFAOYSA-N 0 0 413.477 5.968 50 5 HKBARN CC(C)Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 ZINC000006388305 569046372 /nfs/dbraw/zinc/04/63/72/569046372.db2.gz LHOLAFZYHZUOLD-UHFFFAOYSA-N 0 0 415.902 5.823 50 5 HKBARN Cc1cc(Cl)ccc1OCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000006425294 569048498 /nfs/dbraw/zinc/04/84/98/569048498.db2.gz IWGLUFGZLBMHPY-UHFFFAOYSA-N 0 0 408.837 5.030 50 5 HKBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1Br ZINC000006446746 569052687 /nfs/dbraw/zinc/05/26/87/569052687.db2.gz VGSOTDPKFVQHOO-UHFFFAOYSA-N 0 0 420.266 6.081 50 5 HKBARN COc1ccc(C)cc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000006473133 569058171 /nfs/dbraw/zinc/05/81/71/569058171.db2.gz JPOSKWZVXADZSA-UHFFFAOYSA-N 0 0 412.829 5.610 50 5 HKBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000006473897 569058189 /nfs/dbraw/zinc/05/81/89/569058189.db2.gz QXWYZXWXSIPXCZ-UHFFFAOYSA-N 0 0 420.468 5.586 50 5 HKBARN O=[N+]([O-])c1ccccc1Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1 ZINC000006474056 569058191 /nfs/dbraw/zinc/05/81/91/569058191.db2.gz ZILDFYRANXXVRN-UHFFFAOYSA-N 0 0 421.254 5.711 50 5 HKBARN Nc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000006474260 557704269 /nfs/dbraw/zinc/70/42/69/557704269.db2.gz VKEIEPZXPITURR-UHFFFAOYSA-N 0 0 415.396 6.140 50 5 HKBARN Nc1c(-c2ccccc2[N+](=O)[O-])sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000006474262 569058196 /nfs/dbraw/zinc/05/81/96/569058196.db2.gz LZBZKQHIGDTZMJ-UHFFFAOYSA-N 0 0 415.396 6.140 50 5 HKBARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 ZINC000006489151 569059555 /nfs/dbraw/zinc/05/95/55/569059555.db2.gz KWEFHHQXVUAXPT-GFCCVEGCSA-N 0 0 415.902 6.138 50 5 HKBARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 ZINC000006489608 569059572 /nfs/dbraw/zinc/05/95/72/569059572.db2.gz KWEFHHQXVUAXPT-LBPRGKRZSA-N 0 0 415.902 6.138 50 5 HKBARN Cc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccco1 ZINC000006509549 569061977 /nfs/dbraw/zinc/06/19/77/569061977.db2.gz FQJTWXPQNZGKLG-UHFFFAOYSA-N 0 0 406.467 5.095 50 5 HKBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(C(C)=O)ccc2OC)cc1 ZINC000006537394 569064375 /nfs/dbraw/zinc/06/43/75/569064375.db2.gz KOHOMKGCHGVBIU-UHFFFAOYSA-N 0 0 407.422 5.061 50 5 HKBARN Cc1cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)ccc1[N+](=O)[O-] ZINC000006545979 569064640 /nfs/dbraw/zinc/06/46/40/569064640.db2.gz GQVKTJVFFLCRIW-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000006563409 569066012 /nfs/dbraw/zinc/06/60/12/569066012.db2.gz SDPIVVMDWSZLEH-SNVBAGLBSA-N 0 0 407.923 5.295 50 5 HKBARN CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000006563423 569066009 /nfs/dbraw/zinc/06/60/09/569066009.db2.gz SDPIVVMDWSZLEH-JTQLQIEISA-N 0 0 407.923 5.295 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(C[C@H](O)c1ccccc1)C1CCCCC1 ZINC000006575717 569066694 /nfs/dbraw/zinc/06/66/94/569066694.db2.gz RCDMWMWGNSIHNT-FQEVSTJZSA-N 0 0 417.893 5.148 50 5 HKBARN Cc1cc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C ZINC000006586641 569067759 /nfs/dbraw/zinc/06/77/59/569067759.db2.gz WRUGGSFCJLERFT-UHFFFAOYSA-N 0 0 401.875 5.549 50 5 HKBARN CC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 ZINC000006597204 569069309 /nfs/dbraw/zinc/06/93/09/569069309.db2.gz ZIHJXHSQNHPLAB-UHFFFAOYSA-N 0 0 410.813 5.495 50 5 HKBARN Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000006597820 569069315 /nfs/dbraw/zinc/06/93/15/569069315.db2.gz YGIJGCCOCPUVQF-UHFFFAOYSA-N 0 0 416.412 5.147 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1 ZINC000006602810 569070258 /nfs/dbraw/zinc/07/02/58/569070258.db2.gz ROFCIVLMUHLXBZ-UHFFFAOYSA-N 0 0 414.918 5.914 50 5 HKBARN COc1ccc2c3ncc(-c4ccccc4)c4c5ccccc5n(c43)c(=O)c2c1OC ZINC000006624315 569061112 /nfs/dbraw/zinc/06/11/12/569061112.db2.gz KSZOEOONASRENA-UHFFFAOYSA-N 0 0 406.441 5.276 50 5 biogenic HKBARN O=c1c2ccccc2c2nccc3c4cc(OCc5ccc(Cl)cc5)ccc4n1c32 ZINC000006624341 569061088 /nfs/dbraw/zinc/06/10/88/569061088.db2.gz MDLXEVODOMGSNN-UHFFFAOYSA-N 0 0 410.860 5.824 50 5 biogenic HKBARN COc1ccc2c3ncc(-c4cccs4)c4c5ccccc5n(c43)c(=O)c2c1OC ZINC000006624383 557710912 /nfs/dbraw/zinc/71/09/12/557710912.db2.gz DYRKNPNNSJPCHR-UHFFFAOYSA-N 0 0 412.470 5.338 50 5 biogenic HKBARN O=c1c2ccccc2c2nccc3c4cc(OC/C=C/c5ccccc5)ccc4n1c32 ZINC000006624393 569061103 /nfs/dbraw/zinc/06/11/03/569061103.db2.gz FYZADZLESLNPLC-RMKNXTFCSA-N 0 0 402.453 5.684 50 5 biogenic HKBARN C[C@H](NC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)c1ccccc1 ZINC000006624577 569061132 /nfs/dbraw/zinc/06/11/32/569061132.db2.gz NCBOIJINNMUGHN-INIZCTEOSA-N 0 0 417.468 5.083 50 5 biogenic HKBARN C[C@@H](NC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)c1ccccc1 ZINC000006624578 569061095 /nfs/dbraw/zinc/06/10/95/569061095.db2.gz NCBOIJINNMUGHN-MRXNPFEDSA-N 0 0 417.468 5.083 50 5 biogenic HKBARN Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000006627746 569075670 /nfs/dbraw/zinc/07/56/70/569075670.db2.gz WIGKMPFFVGXWFJ-UHFFFAOYSA-N 0 0 408.801 5.012 50 5 HKBARN Cc1noc(C)c1CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1 ZINC000006650371 569080546 /nfs/dbraw/zinc/08/05/46/569080546.db2.gz FWWHHUUDSIKIHE-UHFFFAOYSA-N 0 0 406.467 5.345 50 5 HKBARN O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccc(Cl)cc1Cl ZINC000006660537 569083421 /nfs/dbraw/zinc/08/34/21/569083421.db2.gz WXMKVNDZYMKAOG-UHFFFAOYSA-N 0 0 402.208 5.644 50 5 HKBARN CCc1cccc2c([C@@H](CC(=O)NCCC(C)C)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006705911 569095093 /nfs/dbraw/zinc/09/50/93/569095093.db2.gz VHGOMENVRQYDEU-NRFANRHFSA-N 0 0 407.514 5.323 50 5 HKBARN CCc1cccc2c([C@H](CC(=O)NCCC(C)C)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006705912 569095113 /nfs/dbraw/zinc/09/51/13/569095113.db2.gz VHGOMENVRQYDEU-OAQYLSRUSA-N 0 0 407.514 5.323 50 5 HKBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC(c1ccccc1)c1ccccc1 ZINC000006720207 569098141 /nfs/dbraw/zinc/09/81/41/569098141.db2.gz GAEKUCJVZVLETM-UHFFFAOYSA-N 0 0 418.496 5.061 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006720329 557717138 /nfs/dbraw/zinc/71/71/38/557717138.db2.gz ZGRWNASHCVHGTN-UHFFFAOYSA-N 0 0 411.288 5.409 50 5 HKBARN Cc1c(Cl)cccc1NC(=O)CCCn1c2ccccc2c(=O)c2ccccc21 ZINC000006720358 557717158 /nfs/dbraw/zinc/71/71/58/557717158.db2.gz KFBUWKLQRHGPRK-UHFFFAOYSA-N 0 0 404.897 5.535 50 5 HKBARN O=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)cc1Cl ZINC000006720372 557717132 /nfs/dbraw/zinc/71/71/32/557717132.db2.gz DWABNZPEULECAK-UHFFFAOYSA-N 0 0 408.860 5.366 50 5 HKBARN Cc1cc(Cl)ccc1NC(=O)CCCn1c2ccccc2c(=O)c2ccccc21 ZINC000006720378 557717085 /nfs/dbraw/zinc/71/70/85/557717085.db2.gz CTWXWPYBSXQZIU-UHFFFAOYSA-N 0 0 404.897 5.535 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccccc1Cl ZINC000006720385 557717308 /nfs/dbraw/zinc/71/73/08/557717308.db2.gz WDSKXLKDEAWZCZ-UHFFFAOYSA-N 0 0 404.897 5.535 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1cc(Cl)ccc1C ZINC000006720393 557717325 /nfs/dbraw/zinc/71/73/25/557717325.db2.gz RLXCZHGKDKKSNZ-UHFFFAOYSA-N 0 0 418.924 5.844 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(Cl)cc1 ZINC000006720394 557717329 /nfs/dbraw/zinc/71/73/29/557717329.db2.gz HLLRDRWAMMCJHY-UHFFFAOYSA-N 0 0 404.897 5.535 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(F)cc1F ZINC000006720395 557717328 /nfs/dbraw/zinc/71/73/28/557717328.db2.gz UIWCTBXHRMHQTE-UHFFFAOYSA-N 0 0 406.432 5.160 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1c(F)cccc1F ZINC000006720396 557717330 /nfs/dbraw/zinc/71/73/30/557717330.db2.gz KIMZREDWPSKHIR-UHFFFAOYSA-N 0 0 406.432 5.160 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1cccc(Cl)c1C ZINC000006720459 569098302 /nfs/dbraw/zinc/09/83/02/569098302.db2.gz CLJXZUGJUVRBMF-UHFFFAOYSA-N 0 0 418.924 5.844 50 5 HKBARN O=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000006720460 569098306 /nfs/dbraw/zinc/09/83/06/569098306.db2.gz UTUCONKSQNBNAP-UHFFFAOYSA-N 0 0 408.860 5.366 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(Cl)cc1C ZINC000006720462 569098301 /nfs/dbraw/zinc/09/83/01/569098301.db2.gz NRRVBCIWCDHKRN-UHFFFAOYSA-N 0 0 418.924 5.844 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(C)c(F)c1 ZINC000006720463 569098311 /nfs/dbraw/zinc/09/83/11/569098311.db2.gz OTIPVRGFDWRYHZ-UHFFFAOYSA-N 0 0 402.469 5.330 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc2c(c1)CCC2 ZINC000006720466 569098266 /nfs/dbraw/zinc/09/82/66/569098266.db2.gz ARBADFIODOPTGS-UHFFFAOYSA-N 0 0 410.517 5.371 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1cccc(Cl)c1 ZINC000006720477 569098316 /nfs/dbraw/zinc/09/83/16/569098316.db2.gz OFZBJSONOVOXPG-UHFFFAOYSA-N 0 0 404.897 5.535 50 5 HKBARN Cc1c(Cl)cccc1NC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)cc21 ZINC000006720478 569098275 /nfs/dbraw/zinc/09/82/75/569098275.db2.gz TTXSOOBPDXNVNC-UHFFFAOYSA-N 0 0 411.288 5.409 50 5 HKBARN Cc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)cc21 ZINC000006720483 569098322 /nfs/dbraw/zinc/09/83/22/569098322.db2.gz HYHKFMYLUOBBFR-UHFFFAOYSA-N 0 0 411.288 5.409 50 5 HKBARN Cc1cc(Cl)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)cc21 ZINC000006720487 569098285 /nfs/dbraw/zinc/09/82/85/569098285.db2.gz LFLVGGQGJWMGRG-UHFFFAOYSA-N 0 0 411.288 5.409 50 5 HKBARN CSc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccc(Cl)cc21 ZINC000006720496 569098309 /nfs/dbraw/zinc/09/83/09/569098309.db2.gz WGORIIGUTWMAFP-UHFFFAOYSA-N 0 0 408.910 5.169 50 5 HKBARN Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000006740709 569106698 /nfs/dbraw/zinc/10/66/98/569106698.db2.gz QUHHYHPUBWEOBT-UHFFFAOYSA-N 0 0 417.490 5.203 50 5 HKBARN Cc1c(C(=O)Nc2cccc(C)c2)nn(C(C)(C)C)c1Oc1ccccc1[N+](=O)[O-] ZINC000006775751 569118941 /nfs/dbraw/zinc/11/89/41/569118941.db2.gz XIDAUUILSMICQM-UHFFFAOYSA-N 0 0 408.458 5.208 50 5 HKBARN Cc1nn(-c2cccc([N+](=O)[O-])c2)c2nc(-c3cccc(C)c3)cc(C(F)(F)F)c12 ZINC000006784803 569121309 /nfs/dbraw/zinc/12/13/09/569121309.db2.gz QRMCHCFHTGLZJW-UHFFFAOYSA-N 0 0 412.371 5.631 50 5 HKBARN O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)c2ccncc21 ZINC000006785847 569121868 /nfs/dbraw/zinc/12/18/68/569121868.db2.gz VDXGKRKACCTOAM-LJQANCHMSA-N 0 0 414.490 5.930 50 5 HKBARN O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)c2c[nH]c3ccccc32)c2ccncc21 ZINC000006785851 569121837 /nfs/dbraw/zinc/12/18/37/569121837.db2.gz VDXGKRKACCTOAM-IBGZPJMESA-N 0 0 414.490 5.930 50 5 HKBARN CC(C)C(=O)Oc1cn(-c2ccccc2)c2nc(C(C)C)n3c4ccccc4nc3c12 ZINC000006804481 569131478 /nfs/dbraw/zinc/13/14/78/569131478.db2.gz UTUJZQRLBRDTAD-UHFFFAOYSA-N 0 0 412.493 5.511 50 5 HKBARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006816743 132317904 /nfs/dbraw/zinc/31/79/04/132317904.db2.gz RTAXNXFOWNNMLL-UHFFFAOYSA-N 0 0 415.449 5.737 50 5 HKBARN O=[N+]([O-])c1ccc(-c2cc(-n3c4ccccc4[nH]c3=S)n(-c3ccccc3)n2)cc1 ZINC000006820923 569140466 /nfs/dbraw/zinc/14/04/66/569140466.db2.gz NMMYVXPQHRPWNT-UHFFFAOYSA-N 0 0 413.462 5.449 50 5 HKBARN O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(OCc2ccccc2)cc1 ZINC000006831355 569147541 /nfs/dbraw/zinc/14/75/41/569147541.db2.gz GWRUFXYSTZHJNL-UHFFFAOYSA-N 0 0 419.480 6.324 50 5 HKBARN C[C@H](NC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006835817 569149111 /nfs/dbraw/zinc/14/91/11/569149111.db2.gz VGGSQALQCBABLJ-JTSKRJEESA-N 0 0 413.477 5.476 50 5 HKBARN C[C@@H](NC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006835818 569149109 /nfs/dbraw/zinc/14/91/09/569149109.db2.gz VGGSQALQCBABLJ-VGSWGCGISA-N 0 0 413.477 5.476 50 5 HKBARN C[C@H](NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006835819 569149076 /nfs/dbraw/zinc/14/90/76/569149076.db2.gz VGGSQALQCBABLJ-HTAPYJJXSA-N 0 0 413.477 5.476 50 5 HKBARN C[C@@H](NC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006835820 569149066 /nfs/dbraw/zinc/14/90/66/569149066.db2.gz VGGSQALQCBABLJ-VGOFRKELSA-N 0 0 413.477 5.476 50 5 HKBARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000006838307 569149660 /nfs/dbraw/zinc/14/96/60/569149660.db2.gz CHKGJNKBJHUPDH-UHFFFAOYSA-N 0 0 417.490 5.203 50 5 HKBARN CCc1cccc2c([C@@H](CC(=O)NCc3ccco3)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006838861 569150075 /nfs/dbraw/zinc/15/00/75/569150075.db2.gz UKBAHCOVEUCPDR-NRFANRHFSA-N 0 0 417.465 5.070 50 5 HKBARN CCc1cccc2c([C@H](CC(=O)NCc3ccco3)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006838862 569150125 /nfs/dbraw/zinc/15/01/25/569150125.db2.gz UKBAHCOVEUCPDR-OAQYLSRUSA-N 0 0 417.465 5.070 50 5 HKBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000006863282 569158773 /nfs/dbraw/zinc/15/87/73/569158773.db2.gz OGMKBZUEQMQABC-UHFFFAOYSA-N 0 0 413.882 5.898 50 5 HKBARN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006865145 569158743 /nfs/dbraw/zinc/15/87/43/569158743.db2.gz KJFSXUAENFYSSL-ZJSXRUAMSA-N 0 0 415.493 5.250 50 5 aggregator HKBARN Cc1ccc(NC(=O)[C@@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006865157 569158709 /nfs/dbraw/zinc/15/87/09/569158709.db2.gz KJFSXUAENFYSSL-QPPBQGQZSA-N 0 0 415.493 5.250 50 5 aggregator HKBARN Cc1ccc(NC(=O)[C@H](N[C@H]2CCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006865170 569158748 /nfs/dbraw/zinc/15/87/48/569158748.db2.gz KJFSXUAENFYSSL-XUZZJYLKSA-N 0 0 415.493 5.250 50 5 aggregator HKBARN Cc1ccc(NC(=O)[C@@H](N[C@H]2CCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006865180 569158719 /nfs/dbraw/zinc/15/87/19/569158719.db2.gz KJFSXUAENFYSSL-URXFXBBRSA-N 0 0 415.493 5.250 50 5 aggregator HKBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000006882773 569168350 /nfs/dbraw/zinc/16/83/50/569168350.db2.gz DLNLTERHDRZIKJ-UHFFFAOYSA-N 0 0 413.882 5.898 50 5 HKBARN O=c1c2ccccc2c(OS(=O)(=O)c2ccccc2)c2ccc3ccc[nH]c3c21 ZINC000006885450 557728703 /nfs/dbraw/zinc/72/87/03/557728703.db2.gz RMORSRCEPAISKG-UHFFFAOYSA-N 0 0 401.443 5.015 50 5 HKBARN COc1ccc2c(c1)nc(SCc1cccc([N+](=O)[O-])c1)cc2-c1ccccc1 ZINC000006897828 569176358 /nfs/dbraw/zinc/17/63/58/569176358.db2.gz GLPQXEABYSPGOT-UHFFFAOYSA-N 0 0 402.475 6.111 50 5 HKBARN Cc1cc(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)ccc1Cl ZINC000006922136 569182601 /nfs/dbraw/zinc/18/26/01/569182601.db2.gz KSOITPPYJGFZKT-HDICACEKSA-N 0 0 414.845 5.029 50 5 HKBARN CC(=O)c1ccccc1NC(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(C)=O ZINC000006995867 569197180 /nfs/dbraw/zinc/19/71/80/569197180.db2.gz JDFYDHQPRPYRBS-UHFFFAOYSA-N 0 0 417.465 5.093 50 5 HKBARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2N1c1ccccc1 ZINC000007003252 569199045 /nfs/dbraw/zinc/19/90/45/569199045.db2.gz SQZIWGYGHLOZLQ-CJLVFECKSA-N 0 0 408.413 6.074 50 5 HKBARN O=C(Nc1ccc(Br)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000007004573 569198126 /nfs/dbraw/zinc/19/81/26/569198126.db2.gz ZHQUBENJMQQYJO-XSFVSMFZSA-N 0 0 423.266 5.537 50 5 HKBARN CC(=O)N(c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1)c1ccc(C)c(C)c1 ZINC000007005440 569198543 /nfs/dbraw/zinc/19/85/43/569198543.db2.gz JXWQNLWCOPQVSI-UHFFFAOYSA-N 0 0 415.446 5.071 50 5 HKBARN Cc1c(NC(=O)c2c3ccccc3cc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000007039738 569209512 /nfs/dbraw/zinc/20/95/12/569209512.db2.gz YGLRBQRXUBVYIP-UHFFFAOYSA-N 0 0 407.473 5.043 50 5 HKBARN Cc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc2ccccc2s1 ZINC000007061870 569217059 /nfs/dbraw/zinc/21/70/59/569217059.db2.gz APRUSYWUXQAYAD-UHFFFAOYSA-N 0 0 403.463 5.800 50 5 HKBARN O=C(Nc1ccc2c(ccc3ccccc32)c1)c1sc2cccc(F)c2c1Cl ZINC000007078539 569218078 /nfs/dbraw/zinc/21/80/78/569218078.db2.gz CPZNIIARZSLSDS-UHFFFAOYSA-N 0 0 405.881 7.253 50 5 HKBARN CCc1cc2c(ncnc2S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000007083887 569217546 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/nfs/dbraw/zinc/30/12/05/569301205.db2.gz PCWWZSVOBNBTKJ-UHFFFAOYSA-N 0 0 412.829 5.088 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007700196 569301295 /nfs/dbraw/zinc/30/12/95/569301295.db2.gz LJBVKDOGEJVCRQ-UHFFFAOYSA-N 0 0 412.829 5.088 50 5 HKBARN O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)c3ccccc23)c([N+](=O)[O-])c1 ZINC000007777921 569308834 /nfs/dbraw/zinc/30/88/34/569308834.db2.gz OECHDQRDHVZDPG-UHFFFAOYSA-N 0 0 403.821 6.425 50 5 HKBARN Cc1cccc(N(C(=O)C2CCCC2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000007778845 569309190 /nfs/dbraw/zinc/30/91/90/569309190.db2.gz IVIVGMQXMGVPRQ-UHFFFAOYSA-N 0 0 407.495 5.882 50 5 HKBARN CC(C)CN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000007780330 569308327 /nfs/dbraw/zinc/30/83/27/569308327.db2.gz JDFNHOBSOKFJID-CSKARUKUSA-N 0 0 415.902 5.560 50 5 HKBARN CCC(C)(C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007780388 569309506 /nfs/dbraw/zinc/30/95/06/569309506.db2.gz RRQVEVMUIIYQDA-UHFFFAOYSA-N 0 0 412.433 5.683 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c2c1 ZINC000007848047 569314407 /nfs/dbraw/zinc/31/44/07/569314407.db2.gz HKSWASHXCUDPIZ-UHFFFAOYSA-N 0 0 405.251 6.240 50 5 HKBARN COc1ccccc1NC(=O)c1c(C)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000007848134 569314513 /nfs/dbraw/zinc/31/45/13/569314513.db2.gz SCLLAEKYYRNHJZ-UHFFFAOYSA-N 0 0 413.433 5.379 50 5 HKBARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc12 ZINC000007956622 569414141 /nfs/dbraw/zinc/41/41/41/569414141.db2.gz DADRNCOWQUPGLB-UHFFFAOYSA-N 0 0 410.430 5.003 50 5 HKBARN CC(=O)c1cccc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 ZINC000007968744 568702202 /nfs/dbraw/zinc/70/22/02/568702202.db2.gz FYMOGLSWSCVFDZ-UHFFFAOYSA-N 0 0 410.426 5.340 50 5 HKBARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000007986667 568964888 /nfs/dbraw/zinc/96/48/88/568964888.db2.gz GYFJQTLLYMUTOU-UHFFFAOYSA-N 0 0 405.435 5.154 50 5 HKBARN C[C@H](NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008072142 557771818 /nfs/dbraw/zinc/77/18/18/557771818.db2.gz QMZNJELNGZFASO-OWFXSXJRSA-N 0 0 418.946 5.798 50 5 HKBARN C[C@@H](NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008072145 557771891 /nfs/dbraw/zinc/77/18/91/557771891.db2.gz QMZNJELNGZFASO-TWSLPJAOSA-N 0 0 418.946 5.798 50 5 HKBARN Cc1cc(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)ccc1[N+](=O)[O-] ZINC000008128725 568974823 /nfs/dbraw/zinc/97/48/23/568974823.db2.gz NSWDZRFZDLGJNS-UHFFFAOYSA-N 0 0 404.451 5.183 50 5 HKBARN O=C(Nc1ccccc1)c1sc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000008133595 568976352 /nfs/dbraw/zinc/97/63/52/568976352.db2.gz XGPAKWRKLALIIJ-UHFFFAOYSA-N 0 0 408.483 5.325 50 5 HKBARN Cc1cc(=O)oc2cc(Oc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])ccc12 ZINC000008148904 526151462 /nfs/dbraw/zinc/15/14/62/526151462.db2.gz LPIXKQKEKQMUIU-UHFFFAOYSA-N 0 0 401.374 5.033 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccncc21 ZINC000008150685 568977338 /nfs/dbraw/zinc/97/73/38/568977338.db2.gz KXPYKZYNSQFDBQ-UHFFFAOYSA-N 0 0 400.478 6.403 50 5 HKBARN O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008156718 568978254 /nfs/dbraw/zinc/97/82/54/568978254.db2.gz PTQBZCQLJDVKDD-UHFFFAOYSA-N 0 0 405.435 5.154 50 5 HKBARN C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008157399 568978805 /nfs/dbraw/zinc/97/88/05/568978805.db2.gz PLBUXAKUHLEBOP-VIFPVBQESA-N 0 0 401.835 5.028 50 5 HKBARN C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008157400 568978767 /nfs/dbraw/zinc/97/87/67/568978767.db2.gz PLBUXAKUHLEBOP-SECBINFHSA-N 0 0 401.835 5.028 50 5 HKBARN O=[N+]([O-])c1ccc(F)cc1Oc1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000008178362 568979933 /nfs/dbraw/zinc/97/99/33/568979933.db2.gz WBGRIXCGBZABEW-UHFFFAOYSA-N 0 0 408.414 5.082 50 5 HKBARN O=[N+]([O-])c1ccc(Nc2ccccc2)c(NCc2cc(Cl)cc3c2OCOC3)c1 ZINC000008190984 568981252 /nfs/dbraw/zinc/98/12/52/568981252.db2.gz TUAVJIHNLPPBFS-UHFFFAOYSA-N 0 0 411.845 5.470 50 5 HKBARN CC(=O)c1ccc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000008315981 568990113 /nfs/dbraw/zinc/99/01/13/568990113.db2.gz KJTFPULCTUXJGR-UHFFFAOYSA-N 0 0 410.426 5.340 50 5 HKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000008320530 568988752 /nfs/dbraw/zinc/98/87/52/568988752.db2.gz TVQMVBZCRTYJRV-DHZHZOJOSA-N 0 0 413.433 5.672 50 5 HKBARN CC(C)(C)C(=O)COC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000008326213 568991822 /nfs/dbraw/zinc/99/18/22/568991822.db2.gz YDSRYHIJSCLKOP-UHFFFAOYSA-N 0 0 407.875 5.171 50 5 HKBARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008328182 568992569 /nfs/dbraw/zinc/99/25/69/568992569.db2.gz CFYFNBSXFBRMRX-UHFFFAOYSA-N 0 0 400.390 5.899 50 5 HKBARN CC(C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 ZINC000008340619 568993401 /nfs/dbraw/zinc/99/34/01/568993401.db2.gz ITCDFUXXBHEQFY-UHFFFAOYSA-N 0 0 410.499 5.429 50 5 HKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000008343785 568993992 /nfs/dbraw/zinc/99/39/92/568993992.db2.gz DORVKQQBOCRJQP-UHFFFAOYSA-N 0 0 404.813 5.111 50 5 HKBARN Cc1cc(C)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000008393400 568998702 /nfs/dbraw/zinc/99/87/02/568998702.db2.gz MPCPNUZQXDUIPH-ZDUSSCGKSA-N 0 0 401.894 5.354 50 5 HKBARN Cc1cc(C)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000008393403 568998644 /nfs/dbraw/zinc/99/86/44/568998644.db2.gz MPCPNUZQXDUIPH-CYBMUJFWSA-N 0 0 401.894 5.354 50 5 HKBARN O=c1c2ccccc2c2nc3ccccc3sc-2c1-c1ccc(Br)cc1 ZINC000008397486 557786043 /nfs/dbraw/zinc/78/60/43/557786043.db2.gz XBSOHOIIQIWNOO-UHFFFAOYSA-N 0 0 418.315 6.344 50 5 HKBARN CCCc1ccc(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000008399581 568998402 /nfs/dbraw/zinc/99/84/02/568998402.db2.gz FACLGZDTJBIMOT-UHFFFAOYSA-N 0 0 424.884 6.032 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000008399586 568998274 /nfs/dbraw/zinc/99/82/74/568998274.db2.gz YCRQJKDBFNMUID-UHFFFAOYSA-N 0 0 417.248 5.733 50 5 HKBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000008399589 568998385 /nfs/dbraw/zinc/99/83/85/568998385.db2.gz AEQINGHYNZUNAA-UHFFFAOYSA-N 0 0 417.248 5.733 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 ZINC000008411066 557786938 /nfs/dbraw/zinc/78/69/38/557786938.db2.gz XUUMMIKMWUKSFY-UHFFFAOYSA-N 0 0 418.434 5.711 50 5 HKBARN Nc1c(-c2ccccc2[N+](=O)[O-])sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000008424378 569002025 /nfs/dbraw/zinc/00/20/25/569002025.db2.gz IIOBWXVLYQMNRJ-UHFFFAOYSA-N 0 0 421.425 6.201 50 5 HKBARN COc1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000008424829 557787736 /nfs/dbraw/zinc/78/77/36/557787736.db2.gz DQGCATWOMAQYGY-UHFFFAOYSA-N 0 0 422.224 5.126 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000008425979 569001815 /nfs/dbraw/zinc/00/18/15/569001815.db2.gz LWHSKVBLLOKZGT-VIZOYTHASA-N 0 0 423.768 5.634 50 5 HKBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000008426589 557787862 /nfs/dbraw/zinc/78/78/62/557787862.db2.gz VZRKBVLWEDBLTH-GMAHTHKFSA-N 0 0 419.868 5.665 50 5 HKBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000008426591 557787866 /nfs/dbraw/zinc/78/78/66/557787866.db2.gz VZRKBVLWEDBLTH-JTHBVZDNSA-N 0 0 419.868 5.665 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000008426753 569001782 /nfs/dbraw/zinc/00/17/82/569001782.db2.gz PATZBKAAFSVLEB-JTHBVZDNSA-N 0 0 419.868 5.799 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000008426756 569001729 /nfs/dbraw/zinc/00/17/29/569001729.db2.gz PATZBKAAFSVLEB-FYYLOGMGSA-N 0 0 419.868 5.799 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2nc3ccccc3o2)nc1Sc1nc2ccccc2o1 ZINC000008431042 569002850 /nfs/dbraw/zinc/00/28/50/569002850.db2.gz GCQHPNYJJFMFHH-UHFFFAOYSA-N 0 0 422.447 5.575 50 5 HKBARN Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000008431832 569002852 /nfs/dbraw/zinc/00/28/52/569002852.db2.gz WLYURXRLNCOTBD-CCEZHUSRSA-N 0 0 422.444 5.254 50 5 HKBARN O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1cccc2ccccc21 ZINC000008432328 569002869 /nfs/dbraw/zinc/00/28/69/569002869.db2.gz GWAHSQLLXGAAIB-VKAVYKQESA-N 0 0 419.440 5.618 50 5 HKBARN O=c1c2ccccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1-c1cccc2ccccc21 ZINC000008432330 569002927 /nfs/dbraw/zinc/00/29/27/569002927.db2.gz JDORKPFRVXBXTN-MSUUIHNZSA-N 0 0 419.440 5.618 50 5 HKBARN O=c1c2ccccc2nc(/C=C\c2cccc([N+](=O)[O-])c2)n1-c1cccc2ccccc21 ZINC000008432331 569002900 /nfs/dbraw/zinc/00/29/00/569002900.db2.gz ANVKDODRJSCBTB-NXVVXOECSA-N 0 0 419.440 5.618 50 5 HKBARN O=c1c2ccccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1-c1ccc2ccccc2c1 ZINC000008432333 569002895 /nfs/dbraw/zinc/00/28/95/569002895.db2.gz YJSQPHRZLQJCAM-PEZBUJJGSA-N 0 0 419.440 5.618 50 5 HKBARN CCOC(=O)Cc1cc(-c2ccc(Br)cc2)nc2ccc3ccccc3c12 ZINC000008435305 557788961 /nfs/dbraw/zinc/78/89/61/557788961.db2.gz IFEMPEFZSRQNHW-UHFFFAOYSA-N 0 0 420.306 5.923 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)o1 ZINC000008442362 569003239 /nfs/dbraw/zinc/00/32/39/569003239.db2.gz CTPJFEIJVDMBAN-UHFFFAOYSA-N 0 0 421.478 5.397 50 5 HKBARN O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c21)CCCCCC3 ZINC000008442368 569003291 /nfs/dbraw/zinc/00/32/91/569003291.db2.gz LYYAMPZJLMDHCB-UHFFFAOYSA-N 0 0 421.478 5.479 50 5 HKBARN O=[N+]([O-])c1c2nonc2c(N2CCCCCC2)cc1Nc1cc(Cl)ccc1Cl ZINC000008444453 569003275 /nfs/dbraw/zinc/00/32/75/569003275.db2.gz QDOPHCITCGVDRM-UHFFFAOYSA-N 0 0 422.272 5.562 50 5 HKBARN CCCCc1ccc2ccc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)nc3c2n1 ZINC000008451285 557790805 /nfs/dbraw/zinc/79/08/05/557790805.db2.gz QLQGNMXUDSCOKI-UHFFFAOYSA-N 0 0 424.331 6.685 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000008455689 569003851 /nfs/dbraw/zinc/00/38/51/569003851.db2.gz WLISOYZUSDDDAY-UHFFFAOYSA-N 0 0 419.462 5.441 50 5 HKBARN CCCC(=O)Oc1cn(-c2ccccc2)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000008465474 569004337 /nfs/dbraw/zinc/00/43/37/569004337.db2.gz GSEXNDYTLLPCAQ-UHFFFAOYSA-N 0 0 412.493 5.484 50 5 HKBARN CC(C)C(=O)Oc1cn(C2CCCCC2)c2nc(C(C)C)n3c4ccccc4nc3c12 ZINC000008469232 569004318 /nfs/dbraw/zinc/00/43/18/569004318.db2.gz MMHUHAKRRKGMAG-UHFFFAOYSA-N 0 0 418.541 6.027 50 5 HKBARN COc1ccc(-c2nc(SCc3cc(=O)oc4ccc5ccccc5c34)n[nH]2)cc1 ZINC000008487650 571055467 /nfs/dbraw/zinc/05/54/67/571055467.db2.gz PJUMIMVEWCHASN-UHFFFAOYSA-N 0 0 415.474 5.032 50 5 HKBARN Clc1nc2ccc3ccc4ccccc4c3c2c2c3ccc4ccccc4c3sc21 ZINC000008496044 557793418 /nfs/dbraw/zinc/79/34/18/557793418.db2.gz MMNYDWKMAUNPPE-UHFFFAOYSA-N 0 0 419.936 8.716 50 5 HKBARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1OC ZINC000008580870 571082677 /nfs/dbraw/zinc/08/26/77/571082677.db2.gz GXTKJIKDRWVCSN-UHFFFAOYSA-N 0 0 415.449 5.645 50 5 HKBARN CC[C@H](Nc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-])c1ccccc1 ZINC000008586863 571083502 /nfs/dbraw/zinc/08/35/02/571083502.db2.gz HJJCFAJXUIURLY-KRWDZBQOSA-N 0 0 401.426 5.270 50 5 HKBARN CC[C@@H](Nc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-])c1ccccc1 ZINC000008586864 571083567 /nfs/dbraw/zinc/08/35/67/571083567.db2.gz HJJCFAJXUIURLY-QGZVFWFLSA-N 0 0 401.426 5.270 50 5 HKBARN COc1ccc(-c2noc(-c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)n2)cc1OC ZINC000008586957 571083544 /nfs/dbraw/zinc/08/35/44/571083544.db2.gz UEHOCGIRXRZXGC-UHFFFAOYSA-N 0 0 424.457 5.074 50 5 HKBARN CC[C@H](Nc1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-])c1ccccc1 ZINC000008587074 571083477 /nfs/dbraw/zinc/08/34/77/571083477.db2.gz UKTNZWLUUPDQPZ-SFHVURJKSA-N 0 0 401.426 5.270 50 5 HKBARN CC[C@@H](Nc1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-])c1ccccc1 ZINC000008587075 571083559 /nfs/dbraw/zinc/08/35/59/571083559.db2.gz UKTNZWLUUPDQPZ-GOSISDBHSA-N 0 0 401.426 5.270 50 5 HKBARN COc1ccccc1CNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] ZINC000008587108 571083608 /nfs/dbraw/zinc/08/36/08/571083608.db2.gz BDBKSZWUAUHKGG-UHFFFAOYSA-N 0 0 416.437 5.241 50 5 aggregator HKBARN COc1ccccc1CNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] ZINC000008587147 571083640 /nfs/dbraw/zinc/08/36/40/571083640.db2.gz XNYMBFYWDGWEEI-UHFFFAOYSA-N 0 0 416.437 5.241 50 5 HKBARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000008590617 571082724 /nfs/dbraw/zinc/08/27/24/571082724.db2.gz PJAGZLHVGCNMPZ-UHFFFAOYSA-N 0 0 419.462 5.441 50 5 HKBARN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)oc2c1 ZINC000008590946 571085893 /nfs/dbraw/zinc/08/58/93/571085893.db2.gz PFZAJUDZQZFVJS-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000008604699 571091603 /nfs/dbraw/zinc/09/16/03/571091603.db2.gz XYLHEKBCKILBND-FQEVSTJZSA-N 0 0 404.401 5.294 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000008604703 571091656 /nfs/dbraw/zinc/09/16/56/571091656.db2.gz XYLHEKBCKILBND-HXUWFJFHSA-N 0 0 404.401 5.294 50 5 HKBARN Cc1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000008604752 571091467 /nfs/dbraw/zinc/09/14/67/571091467.db2.gz KPKASNGZHPWIEP-FQEVSTJZSA-N 0 0 404.401 5.294 50 5 HKBARN Cc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000008604754 571091666 /nfs/dbraw/zinc/09/16/66/571091666.db2.gz KPKASNGZHPWIEP-HXUWFJFHSA-N 0 0 404.401 5.294 50 5 HKBARN COc1cccc2c3c(cnc12)c(-c1ccc(C)cc1)nn3-c1cccc([N+](=O)[O-])c1 ZINC000008606996 571092777 /nfs/dbraw/zinc/09/27/77/571092777.db2.gz WIFMTQPVQGNTLX-UHFFFAOYSA-N 0 0 410.433 5.466 50 5 HKBARN O=C(Nc1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000008617997 571094477 /nfs/dbraw/zinc/09/44/77/571094477.db2.gz NEKCOFZCWKZLMT-UHFFFAOYSA-N 0 0 419.289 6.305 50 5 HKBARN CCCC(=O)Oc1cn(CCC(C)C)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000008625018 571096870 /nfs/dbraw/zinc/09/68/70/571096870.db2.gz UUAHWNAGHIPMEC-UHFFFAOYSA-N 0 0 406.530 5.541 50 5 HKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000008626632 571096555 /nfs/dbraw/zinc/09/65/55/571096555.db2.gz XATIMBFNNAWCPN-UHFFFAOYSA-N 0 0 420.252 5.734 50 5 HKBARN O=[N+]([O-])c1ccc(N2CCCCC2)cc1Oc1nc2c(cc(Cl)cc2Cl)s1 ZINC000008626695 132331708 /nfs/dbraw/zinc/33/17/08/132331708.db2.gz XTVPRUKZHWYXQN-UHFFFAOYSA-N 0 0 424.309 6.294 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000008643163 571097726 /nfs/dbraw/zinc/09/77/26/571097726.db2.gz APFXWNMDUREETK-UHFFFAOYSA-N 0 0 417.468 6.986 50 5 HKBARN O=[N+]([O-])c1cc(Cl)c(-n2cccc2)cc1SCc1ccc(Cl)c(Cl)c1 ZINC000008647876 571097804 /nfs/dbraw/zinc/09/78/04/571097804.db2.gz GXXPMVHUFXVYLI-UHFFFAOYSA-N 0 0 413.713 6.638 50 5 HKBARN O=[N+]([O-])c1cc(Cl)c(-n2cccc2)cc1SCc1ccc(Cl)cc1Cl ZINC000008649280 571097789 /nfs/dbraw/zinc/09/77/89/571097789.db2.gz XLWQJBCLMWMFTL-UHFFFAOYSA-N 0 0 413.713 6.638 50 5 HKBARN CC(=O)Oc1cn([C@H](C)CCc2ccccc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000008652202 571098501 /nfs/dbraw/zinc/09/85/01/571098501.db2.gz UOJGHSQBDSDWSI-MRXNPFEDSA-N 0 0 412.493 5.265 50 5 HKBARN CC(=O)Oc1cn([C@@H](C)CCc2ccccc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000008657372 571099102 /nfs/dbraw/zinc/09/91/02/571099102.db2.gz UOJGHSQBDSDWSI-INIZCTEOSA-N 0 0 412.493 5.265 50 5 HKBARN CC(C)CC(=O)Oc1cn(CC(C)C)c2nc(CC(C)C)n3c4ccccc4nc3c12 ZINC000008658220 571099509 /nfs/dbraw/zinc/09/95/09/571099509.db2.gz VRRXRGHUFCOYEJ-UHFFFAOYSA-N 0 0 420.557 5.643 50 5 HKBARN COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 ZINC000008684624 571101648 /nfs/dbraw/zinc/10/16/48/571101648.db2.gz LKXZUOBBJRPTGM-UHFFFAOYSA-N 0 0 418.478 5.143 50 5 HKBARN Cc1nc2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)ccc2n1-c1ccccc1 ZINC000008706399 571103788 /nfs/dbraw/zinc/10/37/88/571103788.db2.gz PXWKEPSTKMNDHO-UHFFFAOYSA-N 0 0 403.467 5.051 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2ccc(Cl)cn2)nc1Sc1ccc(Cl)cn1 ZINC000008717098 571105098 /nfs/dbraw/zinc/10/50/98/571105098.db2.gz LTQZCYBHVYCHPB-UHFFFAOYSA-N 0 0 411.295 5.389 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccc(Br)cc3)c2c1 ZINC000008733642 571109461 /nfs/dbraw/zinc/10/94/61/571109461.db2.gz BQFZAJGAQYSQCT-UHFFFAOYSA-N 0 0 424.254 5.003 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3c(Cl)cccc3Cl)c2c1 ZINC000008733643 571109496 /nfs/dbraw/zinc/10/94/96/571109496.db2.gz PFPPDUHAGRMXFP-UHFFFAOYSA-N 0 0 414.248 5.547 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)cc3Cl)c2c1 ZINC000008733644 571109292 /nfs/dbraw/zinc/10/92/92/571109292.db2.gz YYKKRRBIBMIKLL-UHFFFAOYSA-N 0 0 414.248 5.547 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)c(Cl)c3)c2c1 ZINC000008733645 571109430 /nfs/dbraw/zinc/10/94/30/571109430.db2.gz HDMJUBQLAIKVHB-UHFFFAOYSA-N 0 0 414.248 5.547 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)n(OCc3ccccc3Cl)c2c1 ZINC000008733647 571109411 /nfs/dbraw/zinc/10/94/11/571109411.db2.gz PTXXFXAFCFHXSS-UHFFFAOYSA-N 0 0 414.248 5.547 50 5 HKBARN O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000008735653 571109200 /nfs/dbraw/zinc/10/92/00/571109200.db2.gz IUDVEJOHLUHWSB-UHFFFAOYSA-N 0 0 421.450 5.209 50 5 HKBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000008737980 571109144 /nfs/dbraw/zinc/10/91/44/571109144.db2.gz XPUGVNBQUPLHJO-UHFFFAOYSA-N 0 0 410.242 5.064 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2Cl)cc1 ZINC000008739661 571109180 /nfs/dbraw/zinc/10/91/80/571109180.db2.gz BUDZVABOZOYNIE-UHFFFAOYSA-N 0 0 401.813 5.197 50 5 HKBARN O=c1c2ccccc2c2nccc3c4cc(OCc5ccc([N+](=O)[O-])cc5)ccc4n1c32 ZINC000008743362 557804137 /nfs/dbraw/zinc/80/41/37/557804137.db2.gz LFPGPYJWDNCZIK-UHFFFAOYSA-N 0 0 421.412 5.079 50 5 biogenic HKBARN O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2Cl)c1 ZINC000008744211 571110562 /nfs/dbraw/zinc/11/05/62/571110562.db2.gz PLINNGIEAOTCHX-UHFFFAOYSA-N 0 0 401.813 5.197 50 5 HKBARN COc1cccc(N(C(=O)C2CCCC2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000008754793 571112935 /nfs/dbraw/zinc/11/29/35/571112935.db2.gz TTXOINWKAZAXES-UHFFFAOYSA-N 0 0 423.494 5.582 50 5 HKBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000008760760 571114010 /nfs/dbraw/zinc/11/40/10/571114010.db2.gz FTNZJAWBVBIFEM-UHFFFAOYSA-N 0 0 418.909 5.420 50 5 HKBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000008762333 571114401 /nfs/dbraw/zinc/11/44/01/571114401.db2.gz KLHLHWKYSVFODE-UHFFFAOYSA-N 0 0 418.396 6.017 50 5 HKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000008763418 571114349 /nfs/dbraw/zinc/11/43/49/571114349.db2.gz GJAQOJRIZJHKGM-UHFFFAOYSA-N 0 0 410.735 5.779 50 5 HKBARN O=[N+]([O-])c1ccc(-c2ccc(-c3nn4c(nnc4-c4ccccc4)s3)o2)c(Cl)c1 ZINC000008763565 571114672 /nfs/dbraw/zinc/11/46/72/571114672.db2.gz GHMOAXXJBHNPDN-UHFFFAOYSA-N 0 0 423.841 5.341 50 5 HKBARN COc1ccc2c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3oc(=O)c2c1 ZINC000008763709 571114730 /nfs/dbraw/zinc/11/47/30/571114730.db2.gz SALYBMJPBSNIGQ-UHFFFAOYSA-N 0 0 415.228 5.481 50 5 HKBARN COc1ccc(-c2cnoc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1 ZINC000008769889 571116953 /nfs/dbraw/zinc/11/69/53/571116953.db2.gz NLUYNIKPVQBXND-UHFFFAOYSA-N 0 0 418.405 5.210 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000008774364 571117620 /nfs/dbraw/zinc/11/76/20/571117620.db2.gz ZISNFUWXYMUHOP-UHFFFAOYSA-N 0 0 424.416 5.446 50 5 HKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc(-c2ccccc2)c[nH]1 ZINC000008781036 569390247 /nfs/dbraw/zinc/39/02/47/569390247.db2.gz UGIVKKYPJHLPFW-UHFFFAOYSA-N 0 0 410.333 5.063 50 5 HKBARN Cc1ccc(Sc2ccc(COc3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1 ZINC000008781543 571118853 /nfs/dbraw/zinc/11/88/53/571118853.db2.gz IYMCUNBGZOYQHJ-UHFFFAOYSA-N 0 0 419.424 6.652 50 5 HKBARN Cc1ccc(Sc2ccc(COc3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 ZINC000008781544 571118866 /nfs/dbraw/zinc/11/88/66/571118866.db2.gz HWVBICWEDVKKIY-UHFFFAOYSA-N 0 0 420.317 6.940 50 5 HKBARN O=[N+]([O-])c1ccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 ZINC000008781738 571119283 /nfs/dbraw/zinc/11/92/83/571119283.db2.gz VVSWISTXUBJXQS-UHFFFAOYSA-N 0 0 422.790 5.832 50 5 HKBARN O=[N+]([O-])c1ccc(Oc2ccc(OCc3ccccc3)c(F)c2)c(Br)c1 ZINC000008782094 571119186 /nfs/dbraw/zinc/11/91/86/571119186.db2.gz LFVICMDZKCIQLC-UHFFFAOYSA-N 0 0 418.218 5.868 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C/c2nc3c(cccc3C(F)(F)F)c3c2CCS3)cc1 ZINC000008782185 571119256 /nfs/dbraw/zinc/11/92/56/571119256.db2.gz PJYXZRMIZGKZMV-RMKNXTFCSA-N 0 0 402.397 5.980 50 5 HKBARN COc1ccc(Oc2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 ZINC000008788767 571119832 /nfs/dbraw/zinc/11/98/32/571119832.db2.gz GEZPFNSIRWZKFO-UHFFFAOYSA-N 0 0 419.389 5.081 50 5 biogenic HKBARN CCOc1c(OC)cccc1-c1cnc2c3c1c1ccccc1n3c(=O)c1ccccc12 ZINC000008792136 569061243 /nfs/dbraw/zinc/06/12/43/569061243.db2.gz VFJAQLWWYUORKK-UHFFFAOYSA-N 0 0 420.468 5.666 50 5 biogenic HKBARN CCOc1ccc(-c2cnc3c4c2c2ccccc2n4c(=O)c2ccccc23)cc1OC ZINC000008792279 569061216 /nfs/dbraw/zinc/06/12/16/569061216.db2.gz JVUSVSJUFCILHP-UHFFFAOYSA-N 0 0 420.468 5.666 50 5 biogenic HKBARN COc1ccc2c3ncc(-c4ccc(F)cc4)c4c5ccccc5n(c43)c(=O)c2c1OC ZINC000008792361 557809149 /nfs/dbraw/zinc/80/91/49/557809149.db2.gz KVRACSZKKFCFEE-UHFFFAOYSA-N 0 0 424.431 5.415 50 5 biogenic HKBARN Cc1ccc(Nc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 ZINC000008817649 571121460 /nfs/dbraw/zinc/12/14/60/571121460.db2.gz LLDSFCPQAVWNPM-UHFFFAOYSA-N 0 0 418.452 5.993 50 5 HKBARN Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000008819011 571121366 /nfs/dbraw/zinc/12/13/66/571121366.db2.gz RROPCLBXSNVGSI-UHFFFAOYSA-N 0 0 424.762 6.088 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c1 ZINC000008824417 571121664 /nfs/dbraw/zinc/12/16/64/571121664.db2.gz XJJHGBBGXIZGDN-UHFFFAOYSA-N 0 0 420.469 5.333 50 5 HKBARN CCCCCCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 ZINC000008828372 571122432 /nfs/dbraw/zinc/12/24/32/571122432.db2.gz BMXGEFYSYJTCAO-UHFFFAOYSA-N 0 0 420.429 5.043 50 5 HKBARN Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000008829328 569390531 /nfs/dbraw/zinc/39/05/31/569390531.db2.gz YUWWLSVBERSHJJ-BUHFOSPRSA-N 0 0 422.444 5.254 50 5 aggregator HKBARN Cc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000008834380 569390515 /nfs/dbraw/zinc/39/05/15/569390515.db2.gz ABTSXMTYVDJZFE-UHFFFAOYSA-N 0 0 424.762 6.088 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1 ZINC000008835956 571123178 /nfs/dbraw/zinc/12/31/78/571123178.db2.gz STXKOIAUOXWGHV-UHFFFAOYSA-N 0 0 401.813 5.197 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc2ccccc2c1 ZINC000008836128 569390467 /nfs/dbraw/zinc/39/04/67/569390467.db2.gz ZIIDBULICVJJKS-LFIBNONCSA-N 0 0 419.440 5.618 50 5 HKBARN CC(C)(C)c1ccc(Cn2c3ccccc3n3cc(-c4ccc([N+](=O)[O-])cc4)nc32)cc1 ZINC000008836240 571123040 /nfs/dbraw/zinc/12/30/40/571123040.db2.gz CZGBHBLKEGASKN-UHFFFAOYSA-N 0 0 424.504 6.210 50 5 HKBARN COc1ccc(C(=O)Nc2oc3cc4ccccc4cc3c(=O)c2-c2ccccc2)cc1 ZINC000008836278 571122943 /nfs/dbraw/zinc/12/29/43/571122943.db2.gz KSGXFTPRIZQBSM-UHFFFAOYSA-N 0 0 421.452 5.874 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 ZINC000008836822 569390498 /nfs/dbraw/zinc/39/04/98/569390498.db2.gz UXNLCTBIYLPWCF-UHFFFAOYSA-N 0 0 423.885 5.183 50 5 HKBARN Cc1cccc2oc3cc(NC4CCCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 ZINC000008854556 571127643 /nfs/dbraw/zinc/12/76/43/571127643.db2.gz TWPWQJKIXZYTAK-UHFFFAOYSA-N 0 0 424.500 5.994 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1sccc1OCc1c(Cl)cccc1Cl ZINC000008855277 569390511 /nfs/dbraw/zinc/39/05/11/569390511.db2.gz CQWAIELFRQDFBZ-UHFFFAOYSA-N 0 0 423.277 5.794 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C/c2nc3ccc(OC(F)(F)F)cc3c3c2CCS3)cc1 ZINC000008855473 569390441 /nfs/dbraw/zinc/39/04/41/569390441.db2.gz KACKRBHTIHFQNO-XVNBXDOJSA-N 0 0 418.396 5.860 50 5 HKBARN CC(C)OC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 ZINC000008856861 571127944 /nfs/dbraw/zinc/12/79/44/571127944.db2.gz PROORSCQOBLAEX-UHFFFAOYSA-N 0 0 422.890 5.006 50 5 HKBARN Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000008861280 571128588 /nfs/dbraw/zinc/12/85/88/571128588.db2.gz YARDKRDATWDBEN-WEVVVXLNSA-N 0 0 417.248 6.122 50 5 HKBARN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)SCc1cccc(C(F)(F)F)c1 ZINC000008873058 569390699 /nfs/dbraw/zinc/39/06/99/569390699.db2.gz VIWNXVJAHXZBSI-UHFFFAOYSA-N 0 0 412.433 5.055 50 5 HKBARN O=C(Nc1cccc(Cl)c1)OCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000008892443 571142469 /nfs/dbraw/zinc/14/24/69/571142469.db2.gz BSPYAFJTRQVXOX-UHFFFAOYSA-N 0 0 417.771 5.318 50 5 HKBARN CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008915746 571150855 /nfs/dbraw/zinc/15/08/55/571150855.db2.gz AUYCYJUJPMCIEO-UHFFFAOYSA-N 0 0 422.481 5.093 50 5 HKBARN CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000008917328 571153490 /nfs/dbraw/zinc/15/34/90/571153490.db2.gz GXPDBZKFXWZADH-UHFFFAOYSA-N 0 0 422.481 5.093 50 5 HKBARN Cc1c(Cl)ccc2c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc(-c3cccs3)nc12 ZINC000008918954 571154853 /nfs/dbraw/zinc/15/48/53/571154853.db2.gz IIPJZSRUMTZLLS-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Cl)cc2)cc1 ZINC000008926353 571160328 /nfs/dbraw/zinc/16/03/28/571160328.db2.gz IIOOLWJJPPEDFO-UHFFFAOYSA-N 0 0 423.903 6.760 50 5 HKBARN COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2cccc(Cl)c2)cc1 ZINC000008934403 571163430 /nfs/dbraw/zinc/16/34/30/571163430.db2.gz VEINZNMOLKWVAC-UHFFFAOYSA-N 0 0 423.903 6.760 50 5 HKBARN CCN(CC)c1ccc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c(=N)oc2c1 ZINC000008934630 571163642 /nfs/dbraw/zinc/16/36/42/571163642.db2.gz UGNUNVCFOWKBNU-UHFFFAOYSA-N 0 0 420.494 5.457 50 5 HKBARN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)oc2c1 ZINC000008958879 569275567 /nfs/dbraw/zinc/27/55/67/569275567.db2.gz HOAZQNXKHSJFJS-UHFFFAOYSA-N 0 0 423.812 5.323 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)c1 ZINC000008969335 571194422 /nfs/dbraw/zinc/19/44/22/571194422.db2.gz AERHYJIYADWLAY-NRFANRHFSA-N 0 0 422.282 5.713 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)c1 ZINC000008969337 571194368 /nfs/dbraw/zinc/19/43/68/571194368.db2.gz AERHYJIYADWLAY-OAQYLSRUSA-N 0 0 422.282 5.713 50 5 HKBARN O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000008970600 569391032 /nfs/dbraw/zinc/39/10/32/569391032.db2.gz BWJRKWONTNQMPK-UHFFFAOYSA-N 0 0 403.463 5.365 50 5 HKBARN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000008984344 569275551 /nfs/dbraw/zinc/27/55/51/569275551.db2.gz GDOUNBXYHUJTIR-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000008986703 571205892 /nfs/dbraw/zinc/20/58/92/571205892.db2.gz VDLKDUQCTTWUHE-UHFFFAOYSA-N 0 0 424.869 5.415 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)c1 ZINC000008990043 571206439 /nfs/dbraw/zinc/20/64/39/571206439.db2.gz BOCIXILCKZHEFU-UHFFFAOYSA-N 0 0 420.266 6.081 50 5 HKBARN O=c1c2ccccc2sc2nc(-c3ccccc3Cl)n3c4ccccc4nc3c12 ZINC000009002148 571209843 /nfs/dbraw/zinc/20/98/43/571209843.db2.gz ONHHSTPBCKFGIU-UHFFFAOYSA-N 0 0 413.889 5.931 50 5 HKBARN O=c1c2ccccc2sc2nc(-c3ccc(Cl)cc3)n3c4ccccc4nc3c12 ZINC000009002149 571209828 /nfs/dbraw/zinc/20/98/28/571209828.db2.gz SRKSDHKGKNEKGZ-UHFFFAOYSA-N 0 0 413.889 5.931 50 5 HKBARN O=c1c2ccccc2sc2nc(-c3cccc([N+](=O)[O-])c3)n3c4ccccc4nc3c12 ZINC000009002150 571209763 /nfs/dbraw/zinc/20/97/63/571209763.db2.gz FYYIZFVHKKSKAR-UHFFFAOYSA-N 0 0 424.441 5.186 50 5 HKBARN O=C(Nc1cccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)c1)c1ccccc1 ZINC000009010593 569391113 /nfs/dbraw/zinc/39/11/13/569391113.db2.gz NSYAHTUNBHIEQY-UHFFFAOYSA-N 0 0 416.462 5.714 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000009042142 569391262 /nfs/dbraw/zinc/39/12/62/569391262.db2.gz CHLLSVNOWLIYPB-UHFFFAOYSA-N 0 0 410.355 5.967 50 5 HKBARN O=[N+]([O-])c1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)cc1 ZINC000009055487 569391309 /nfs/dbraw/zinc/39/13/09/569391309.db2.gz DFMQOMKAZHAEMR-UHFFFAOYSA-N 0 0 421.254 5.711 50 5 HKBARN Cc1ccc2[nH]c3c(cc(NCc4ccco4)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000009057780 571217029 /nfs/dbraw/zinc/21/70/29/571217029.db2.gz FLOGPNXBCVCVPP-UHFFFAOYSA-N 0 0 422.440 5.454 50 5 HKBARN O=C(Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1)c1ccco1 ZINC000009069480 571218297 /nfs/dbraw/zinc/21/82/97/571218297.db2.gz LDFACCWQUSTHKJ-UHFFFAOYSA-N 0 0 418.405 5.857 50 5 HKBARN C[C@H]1CCCN(c2cc(Nc3cccc(Cl)c3Cl)c([N+](=O)[O-])c3nonc32)C1 ZINC000009075908 132335557 /nfs/dbraw/zinc/33/55/57/132335557.db2.gz AAPBMBXDSMXEHW-JTQLQIEISA-N 0 0 422.272 5.418 50 5 HKBARN C[C@@H]1CCCN(c2cc(Nc3cccc(Cl)c3Cl)c([N+](=O)[O-])c3nonc32)C1 ZINC000009075909 132335466 /nfs/dbraw/zinc/33/54/66/132335466.db2.gz AAPBMBXDSMXEHW-SNVBAGLBSA-N 0 0 422.272 5.418 50 5 HKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000009087903 571219990 /nfs/dbraw/zinc/21/99/90/571219990.db2.gz XGKZNDSBDVYCSG-UHFFFAOYSA-N 0 0 420.812 5.218 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(Cl)n(-c2ccccc2)nc1-c1ccccc1 ZINC000009090226 571220417 /nfs/dbraw/zinc/22/04/17/571220417.db2.gz FKFOSTVHUSVMMM-UHFFFAOYSA-N 0 0 418.840 5.353 50 5 HKBARN O=C1N=C(c2ccccc2)C(c2ccc3ccccc3n2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000009090664 571220472 /nfs/dbraw/zinc/22/04/72/571220472.db2.gz IPAKCZNDDRAUDW-XMMPIXPASA-N 0 0 422.444 5.065 50 5 HKBARN O=C1N=C(c2ccccc2)C(c2ccc3ccccc3n2)[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000009090674 571220469 /nfs/dbraw/zinc/22/04/69/571220469.db2.gz GSVPIMQOWSNUOZ-DEOSSOPVSA-N 0 0 422.444 5.065 50 5 HKBARN O=C1N=C(c2ccccc2)C(c2ccc3ccccc3n2)[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000009090675 571220475 /nfs/dbraw/zinc/22/04/75/571220475.db2.gz GSVPIMQOWSNUOZ-XMMPIXPASA-N 0 0 422.444 5.065 50 5 HKBARN O=C1N=C(c2ccccc2)C(c2ccc3ccccc3n2)[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000009090911 571220565 /nfs/dbraw/zinc/22/05/65/571220565.db2.gz IPAKCZNDDRAUDW-DEOSSOPVSA-N 0 0 422.444 5.065 50 5 HKBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000009097069 571221101 /nfs/dbraw/zinc/22/11/01/571221101.db2.gz KMUZIDIDQHTPPI-UHFFFAOYSA-N 0 0 423.390 5.807 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000009110026 569391604 /nfs/dbraw/zinc/39/16/04/569391604.db2.gz WBLUVNIYNXCIER-UHFFFAOYSA-N 0 0 424.287 6.934 50 5 HKBARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2c3ccccc3cc3ccccc32)NC(=S)N1 ZINC000009144784 571230372 /nfs/dbraw/zinc/23/03/72/571230372.db2.gz CGEZOKKFQLWIGY-XMMPIXPASA-N 0 0 423.541 5.425 50 5 HKBARN COc1cccc(Oc2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)c1 ZINC000009159765 571232237 /nfs/dbraw/zinc/23/22/37/571232237.db2.gz PSOSEJSAAYXARU-UHFFFAOYSA-N 0 0 419.389 5.081 50 5 biogenic HKBARN CCOc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C)cc1 ZINC000009166291 571232718 /nfs/dbraw/zinc/23/27/18/571232718.db2.gz ZIQGSGJRJNWLEF-UHFFFAOYSA-N 0 0 417.874 5.331 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccc(OC)cc3)nc21 ZINC000009187037 571235111 /nfs/dbraw/zinc/23/51/11/571235111.db2.gz LVXHDLYEQNPSRV-UHFFFAOYSA-N 0 0 420.472 5.046 50 5 HKBARN Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-] ZINC000009190295 569391724 /nfs/dbraw/zinc/39/17/24/569391724.db2.gz HYFMJGBCYSMKSA-UHFFFAOYSA-N 0 0 406.829 5.352 50 5 HKBARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000009190316 569391728 /nfs/dbraw/zinc/39/17/28/569391728.db2.gz YDJDDTWLARYGGX-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000009192372 571235836 /nfs/dbraw/zinc/23/58/36/571235836.db2.gz YIYBXHYKRLQSTF-CQSZACIVSA-N 0 0 423.494 5.495 50 5 HKBARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000009192374 571235741 /nfs/dbraw/zinc/23/57/41/571235741.db2.gz YIYBXHYKRLQSTF-AWEZNQCLSA-N 0 0 423.494 5.495 50 5 HKBARN O=c1c(Cl)c2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3oc-2c(Cl)c1=O ZINC000009193785 557827306 /nfs/dbraw/zinc/82/73/06/557827306.db2.gz LJKPVNUMBFTEAL-UHFFFAOYSA-N 0 0 420.846 5.771 50 5 HKBARN O=C1/C(=C2/CCCCCN2)c2cc([N+](=O)[O-])ccc2N1c1c(Cl)cccc1Cl ZINC000009210819 569391818 /nfs/dbraw/zinc/39/18/18/569391818.db2.gz TZWSVSJIGRZDNK-VLGSPTGOSA-N 0 0 418.280 5.455 50 5 HKBARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000009226429 569391965 /nfs/dbraw/zinc/39/19/65/569391965.db2.gz WWUKQYJMTCLBBD-UHFFFAOYSA-N 0 0 419.462 5.197 50 5 HKBARN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1CCc1ccccc1 ZINC000009233889 571239818 /nfs/dbraw/zinc/23/98/18/571239818.db2.gz APJHHWYCSYLVGP-JJIBRWJFSA-N 0 0 409.510 6.272 50 5 HKBARN CC(C)c1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(Br)c1 ZINC000009234883 571240054 /nfs/dbraw/zinc/24/00/54/571240054.db2.gz BAEBWYQXZCJHLW-UHFFFAOYSA-N 0 0 418.247 5.110 50 5 HKBARN Cc1noc(/C=C/c2ccc(OCc3ccccc3)c(Br)c2)c1[N+](=O)[O-] ZINC000009235742 569391992 /nfs/dbraw/zinc/39/19/92/569391992.db2.gz MMAJAMOSRYAOPE-CSKARUKUSA-N 0 0 415.243 5.403 50 5 HKBARN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000009235991 569391932 /nfs/dbraw/zinc/39/19/32/569391932.db2.gz XUNJFCHJIFDNJL-UHFFFAOYSA-N 0 0 410.242 5.064 50 5 HKBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000009236929 571240457 /nfs/dbraw/zinc/24/04/57/571240457.db2.gz JMSIVCUIDAKKPZ-QHHAFSJGSA-N 0 0 420.812 5.103 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)cc1 ZINC000009242834 571240908 /nfs/dbraw/zinc/24/09/08/571240908.db2.gz POWBXKTXKKQYLZ-UHFFFAOYSA-N 0 0 415.840 5.256 50 5 HKBARN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000009252418 569391991 /nfs/dbraw/zinc/39/19/91/569391991.db2.gz CAUSAAUFDFRMLG-UHFFFAOYSA-N 0 0 423.881 5.455 50 5 HKBARN CC(C)C(=O)Nc1cccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1 ZINC000009252453 569391958 /nfs/dbraw/zinc/39/19/58/569391958.db2.gz TWLUPGVDQAYUPJ-UHFFFAOYSA-N 0 0 417.874 5.310 50 5 HKBARN CC1=Nc2ccccc2N=C(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000009282025 571244710 /nfs/dbraw/zinc/24/47/10/571244710.db2.gz YWVICULRUUJUKB-LXGWOEDASA-N 0 0 424.460 5.344 50 5 HKBARN CC1=Nc2ccccc2N=C(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000009282026 571244719 /nfs/dbraw/zinc/24/47/19/571244719.db2.gz YWVICULRUUJUKB-KROBSHITSA-N 0 0 424.460 5.344 50 5 HKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000009291890 571245791 /nfs/dbraw/zinc/24/57/91/571245791.db2.gz ILDUAXHGMJJHTB-UHFFFAOYSA-N 0 0 420.812 5.218 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000009301654 569392247 /nfs/dbraw/zinc/39/22/47/569392247.db2.gz VFIRWULDNDNTDY-AZGAKELHSA-N 0 0 421.456 5.990 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000009301656 569392240 /nfs/dbraw/zinc/39/22/40/569392240.db2.gz VFIRWULDNDNTDY-AOYPEHQESA-N 0 0 421.456 5.990 50 5 HKBARN COc1ccccc1Oc1coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1=O ZINC000009304189 571246438 /nfs/dbraw/zinc/24/64/38/571246438.db2.gz DKICNSFBKRLZBQ-UHFFFAOYSA-N 0 0 419.389 5.081 50 5 biogenic HKBARN Cc1cccc2oc3cc(NCc4ccco4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 ZINC000009310956 571247108 /nfs/dbraw/zinc/24/71/08/571247108.db2.gz XQCCCJMTPKMRRN-UHFFFAOYSA-N 0 0 422.440 5.454 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccc(F)cc4)cs3)o2)cc1 ZINC000009315881 571247540 /nfs/dbraw/zinc/24/75/40/571247540.db2.gz FIOIELDYGLTEIV-UHFFFAOYSA-N 0 0 414.443 5.200 50 5 HKBARN Cc1cc(C)c(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c(Cl)c1 ZINC000009322949 571248186 /nfs/dbraw/zinc/24/81/86/571248186.db2.gz KTXRWOPUNZGIKZ-UHFFFAOYSA-N 0 0 424.888 5.659 50 5 HKBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009327852 569392342 /nfs/dbraw/zinc/39/23/42/569392342.db2.gz PVWLSWVBVKPNDL-UHFFFAOYSA-N 0 0 400.847 5.082 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccccc3OC)nc21 ZINC000009327953 571248259 /nfs/dbraw/zinc/24/82/59/571248259.db2.gz HZXCJZKLAKGMMY-UHFFFAOYSA-N 0 0 420.472 5.046 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3cccc(OC)c3)nc21 ZINC000009327957 571248326 /nfs/dbraw/zinc/24/83/26/571248326.db2.gz UXIMHQDHIZXPQO-UHFFFAOYSA-N 0 0 420.472 5.046 50 5 HKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccc(Cl)cc3)nc21 ZINC000009327960 571248331 /nfs/dbraw/zinc/24/83/31/571248331.db2.gz UWHTWQDJPBMALA-UHFFFAOYSA-N 0 0 424.891 5.691 50 5 HKBARN O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc(NCc3ccccc3)c12 ZINC000009331030 557837434 /nfs/dbraw/zinc/83/74/34/557837434.db2.gz WTCCIUHYMXOFLX-UHFFFAOYSA-N 0 0 418.452 5.553 50 5 HKBARN CC(C)c1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000009337897 571249506 /nfs/dbraw/zinc/24/95/06/571249506.db2.gz AHWDEQCUXSWBCU-UHFFFAOYSA-N 0 0 404.470 5.512 50 5 HKBARN O=C(Nc1nc2ccc(Cl)cc2s1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000009348192 571250289 /nfs/dbraw/zinc/25/02/89/571250289.db2.gz CTCRDMPIYYHEQR-UHFFFAOYSA-N 0 0 424.290 5.978 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000009348923 569392546 /nfs/dbraw/zinc/39/25/46/569392546.db2.gz USCQMZQWEXGNFZ-UHFFFAOYSA-N 0 0 422.224 5.126 50 5 HKBARN Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2-c2ccccc2)cc1 ZINC000009354660 571250754 /nfs/dbraw/zinc/25/07/54/571250754.db2.gz KMZLIHNTYPUUBU-UHFFFAOYSA-N 0 0 421.503 6.008 50 5 HKBARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000009354662 571250701 /nfs/dbraw/zinc/25/07/01/571250701.db2.gz ONBPZTUFWAGROK-UHFFFAOYSA-N 0 0 417.446 5.763 50 5 HKBARN Cc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000009354836 571250822 /nfs/dbraw/zinc/25/08/22/571250822.db2.gz SIISHAOEOKJKTF-JOCHJYFZSA-N 0 0 419.868 5.548 50 5 HKBARN CC1(C)c2ssc(=S)c2-c2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1 ZINC000009357085 535096389 /nfs/dbraw/zinc/09/63/89/535096389.db2.gz DBESMXDEXMHIPH-UHFFFAOYSA-N 0 0 414.533 6.010 50 5 HKBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3sc4ccccc4c3Cl)nc21 ZINC000009363707 571251713 /nfs/dbraw/zinc/25/17/13/571251713.db2.gz XEROAHXWCKRUJW-UHFFFAOYSA-N 0 0 419.871 5.334 50 5 HKBARN CCN1C(=O)c2cccc3c2c1ccc3NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009367857 571252279 /nfs/dbraw/zinc/25/22/79/571252279.db2.gz YDKKJFXEPIRNFO-UHFFFAOYSA-N 0 0 417.446 5.195 50 5 HKBARN Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C(=O)c2ccccc2)c1 ZINC000009367903 571252294 /nfs/dbraw/zinc/25/22/94/571252294.db2.gz GOZOGJASXVSMKT-UHFFFAOYSA-N 0 0 416.458 5.601 50 5 HKBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccccc1Oc1ccccc1 ZINC000009368100 571252451 /nfs/dbraw/zinc/25/24/51/571252451.db2.gz IUJAAYUQLJCVJZ-UHFFFAOYSA-N 0 0 423.475 5.824 50 5 HKBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(Cc2ccccc2)cc1 ZINC000009368103 571252424 /nfs/dbraw/zinc/25/24/24/571252424.db2.gz BALVIXYRMPWEMA-UHFFFAOYSA-N 0 0 421.503 5.623 50 5 HKBARN O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000009373267 571252504 /nfs/dbraw/zinc/25/25/04/571252504.db2.gz LVECYKXWAMEYDU-UHFFFAOYSA-N 0 0 415.830 5.425 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)c1 ZINC000009375024 571252709 /nfs/dbraw/zinc/25/27/09/571252709.db2.gz NFVSMDQZVMICLV-UHFFFAOYSA-N 0 0 415.840 5.256 50 5 HKBARN CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 ZINC000009404457 571255286 /nfs/dbraw/zinc/25/52/86/571255286.db2.gz PNPCOUMCXNXMQH-UHFFFAOYSA-N 0 0 422.510 5.077 50 5 HKBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nc(-c2nc3ccccc3s2)cs1 ZINC000009404699 571255290 /nfs/dbraw/zinc/25/52/90/571255290.db2.gz WPZKGHJTFGNIBH-FNORWQNLSA-N 0 0 414.493 5.041 50 5 HKBARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009404703 571255294 /nfs/dbraw/zinc/25/52/94/571255294.db2.gz XTTGHZLCRCEKRB-UHFFFAOYSA-N 0 0 415.430 5.870 50 5 HKBARN O=C(Nc1ccc(N2CCCC2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000009422391 571257350 /nfs/dbraw/zinc/25/73/50/571257350.db2.gz XJCVGWWUTNGZPM-UHFFFAOYSA-N 0 0 401.875 5.315 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000009425528 571257667 /nfs/dbraw/zinc/25/76/67/571257667.db2.gz ABCCDAZLNBOROR-UHFFFAOYSA-N 0 0 420.035 5.317 50 5 HKBARN C[C@H](Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000009425901 569392580 /nfs/dbraw/zinc/39/25/80/569392580.db2.gz DZQLSBMHMCNIOO-AWEZNQCLSA-N 0 0 424.840 5.151 50 5 HKBARN C[C@@H](Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000009425902 569392693 /nfs/dbraw/zinc/39/26/93/569392693.db2.gz DZQLSBMHMCNIOO-CQSZACIVSA-N 0 0 424.840 5.151 50 5 HKBARN C[C@H](Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)c1cccc(Cl)c1 ZINC000009425903 569392583 /nfs/dbraw/zinc/39/25/83/569392583.db2.gz NMRCKXSUVWJIPK-AWEZNQCLSA-N 0 0 424.840 5.151 50 5 HKBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c12 ZINC000009426938 569392803 /nfs/dbraw/zinc/39/28/03/569392803.db2.gz FZEMJAQXMDFLEM-UHFFFAOYSA-N 0 0 412.371 5.631 50 5 HKBARN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000009427036 569392780 /nfs/dbraw/zinc/39/27/80/569392780.db2.gz PZJMTDYWHXIUSM-UHFFFAOYSA-N 0 0 415.243 5.080 50 5 HKBARN CC1CCN(c2cc(Nc3cc(Cl)ccc3Cl)c([N+](=O)[O-])c3nonc32)CC1 ZINC000009428307 132339830 /nfs/dbraw/zinc/33/98/30/132339830.db2.gz CLNDUQZDBMIIGU-UHFFFAOYSA-N 0 0 422.272 5.418 50 5 HKBARN CC1CCN(c2cc(Nc3cccc(Cl)c3Cl)c([N+](=O)[O-])c3nonc32)CC1 ZINC000009428426 132339823 /nfs/dbraw/zinc/33/98/23/132339823.db2.gz QOVGUDGPRASTHZ-UHFFFAOYSA-N 0 0 422.272 5.418 50 5 HKBARN CC(=O)c1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc1-c1ccccc1 ZINC000009434080 571258742 /nfs/dbraw/zinc/25/87/42/571258742.db2.gz SDNUZNFDYBCFQB-UHFFFAOYSA-N 0 0 423.475 5.388 50 5 HKBARN O=C(NCc1cccc(Cl)c1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000009434221 571258723 /nfs/dbraw/zinc/25/87/23/571258723.db2.gz IAVHRDZEDWWBTE-UHFFFAOYSA-N 0 0 418.909 5.282 50 5 HKBARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000009434689 571258730 /nfs/dbraw/zinc/25/87/30/571258730.db2.gz YMZOVRUZZBWXAX-GAJHUEQPSA-N 0 0 401.466 5.183 50 5 HKBARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000009434690 571258702 /nfs/dbraw/zinc/25/87/02/571258702.db2.gz YMZOVRUZZBWXAX-UZUQRXQVSA-N 0 0 401.466 5.183 50 5 HKBARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000009435185 571258768 /nfs/dbraw/zinc/25/87/68/571258768.db2.gz YMZOVRUZZBWXAX-SBUREZEXSA-N 0 0 401.466 5.183 50 5 HKBARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000009435186 571258711 /nfs/dbraw/zinc/25/87/11/571258711.db2.gz YMZOVRUZZBWXAX-HXOBKFHXSA-N 0 0 401.466 5.183 50 5 HKBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@H]2c2ccc(C)cc2)no1 ZINC000009447769 571259764 /nfs/dbraw/zinc/25/97/64/571259764.db2.gz WRBVTTJOBTUEKS-JOCHJYFZSA-N 0 0 422.440 5.301 50 5 HKBARN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3[C@@H]2c2ccc(C)cc2)no1 ZINC000009447776 571259755 /nfs/dbraw/zinc/25/97/55/571259755.db2.gz WRBVTTJOBTUEKS-QFIPXVFZSA-N 0 0 422.440 5.301 50 5 HKBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000009491528 571262730 /nfs/dbraw/zinc/26/27/30/571262730.db2.gz KNKNKOQXPQANSZ-JTQLQIEISA-N 0 0 416.692 5.014 50 5 HKBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000009491529 571262778 /nfs/dbraw/zinc/26/27/78/571262778.db2.gz KNKNKOQXPQANSZ-SNVBAGLBSA-N 0 0 416.692 5.014 50 5 HKBARN O=[N+]([O-])c1ccc2nc(-c3ccc(Br)s3)cc(-c3ccccc3)c2c1 ZINC000009540534 571267454 /nfs/dbraw/zinc/26/74/54/571267454.db2.gz CECVQVTXDQOKMH-UHFFFAOYSA-N 0 0 411.280 6.301 50 5 HKBARN Cc1cc2nc(-c3cc(NC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3O)oc2cc1C ZINC000009547490 569393588 /nfs/dbraw/zinc/39/35/88/569393588.db2.gz IJWWIQPJBBDVPI-UHFFFAOYSA-N 0 0 417.421 5.286 50 5 HKBARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000009569663 571268740 /nfs/dbraw/zinc/26/87/40/571268740.db2.gz JMJOUHPKXPJFDQ-UHFFFAOYSA-N 0 0 406.467 5.149 50 5 HKBARN Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000009569664 571268701 /nfs/dbraw/zinc/26/87/01/571268701.db2.gz DBMBGCFKCGBFSU-UHFFFAOYSA-N 0 0 412.858 5.185 50 5 HKBARN CCc1ccccc1NC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C ZINC000009569669 571268719 /nfs/dbraw/zinc/26/87/19/571268719.db2.gz GAMPUCCNJFTBMG-UHFFFAOYSA-N 0 0 406.467 5.094 50 5 HKBARN CC(C)n1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2ccccc2o1 ZINC000009595207 569393652 /nfs/dbraw/zinc/39/36/52/569393652.db2.gz NMFXRRXENLPBKU-UHFFFAOYSA-N 0 0 422.466 5.155 50 5 HKBARN O=C(Nc1nnc(SCc2cccc3ccccc32)s1)c1ccccc1[N+](=O)[O-] ZINC000009599928 571272830 /nfs/dbraw/zinc/27/28/30/571272830.db2.gz OIUWEFKKKRZSEP-UHFFFAOYSA-N 0 0 422.491 5.144 50 5 HKBARN C=CSc1sc(Cl)c(N2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000009601778 132341496 /nfs/dbraw/zinc/34/14/96/132341496.db2.gz CHRDNDNSFCHUEX-UHFFFAOYSA-N 0 0 416.355 5.525 50 5 HKBARN C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000009632036 571274722 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5.477 50 5 HKBARN Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2cc1C ZINC000009708065 571280846 /nfs/dbraw/zinc/28/08/46/571280846.db2.gz IGBDGMIZVJLDQW-UHFFFAOYSA-N 0 0 418.478 5.063 50 5 HKBARN Cc1cc2nc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2cc1C ZINC000009708066 571280854 /nfs/dbraw/zinc/28/08/54/571280854.db2.gz AJPIZLQHANWESN-UHFFFAOYSA-N 0 0 418.478 5.063 50 5 HKBARN Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])s3)sc2cc1C ZINC000009708067 571280870 /nfs/dbraw/zinc/28/08/70/571280870.db2.gz RTJAWENHXKSUBI-UHFFFAOYSA-N 0 0 424.507 5.125 50 5 HKBARN Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])sc2cc1C ZINC000009708069 571280861 /nfs/dbraw/zinc/28/08/61/571280861.db2.gz UEUGTMJPRMHJBB-UHFFFAOYSA-N 0 0 418.478 5.063 50 5 HKBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000009717005 571281759 /nfs/dbraw/zinc/28/17/59/571281759.db2.gz MNAXMEGNYAAZOV-UHFFFAOYSA-N 0 0 424.869 5.100 50 5 HKBARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000009725797 571282322 /nfs/dbraw/zinc/28/23/22/571282322.db2.gz XMIYETNGFSTFET-UHFFFAOYSA-N 0 0 423.572 5.282 50 5 HKBARN O=C(Nc1ccccc1)c1sc(NCc2ccco2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000009780285 571285129 /nfs/dbraw/zinc/28/51/29/571285129.db2.gz ZPDNXTOKWZLBJR-UHFFFAOYSA-N 0 0 420.450 5.176 50 5 HKBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 ZINC000009829684 571287370 /nfs/dbraw/zinc/28/73/70/571287370.db2.gz GKDZVDIBJABXTM-UHFFFAOYSA-N 0 0 424.869 5.100 50 5 HKBARN CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009829694 571287360 /nfs/dbraw/zinc/28/73/60/571287360.db2.gz NBFUSMHAHCMCIS-UHFFFAOYSA-N 0 0 418.478 5.009 50 5 HKBARN CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000009829695 571287375 /nfs/dbraw/zinc/28/73/75/571287375.db2.gz RGOSISCHFYVZDV-UHFFFAOYSA-N 0 0 424.507 5.070 50 5 HKBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000009829722 571287365 /nfs/dbraw/zinc/28/73/65/571287365.db2.gz 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Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c(C)c1 ZINC000009829754 571287356 /nfs/dbraw/zinc/28/73/56/571287356.db2.gz XYIFASYUHKSSHY-UHFFFAOYSA-N 0 0 418.478 5.063 50 5 HKBARN Cc1cc2nc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c(C)c1 ZINC000009829755 571287423 /nfs/dbraw/zinc/28/74/23/571287423.db2.gz UTNIXYZIFZSFFZ-UHFFFAOYSA-N 0 0 418.478 5.063 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(F)cc1Cl ZINC000009861320 557850440 /nfs/dbraw/zinc/85/04/40/557850440.db2.gz NLGVODGZBFWGLC-UHFFFAOYSA-N 0 0 422.887 5.675 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000009861374 571288718 /nfs/dbraw/zinc/28/87/18/571288718.db2.gz GRWQWLDBYMLFOZ-UHFFFAOYSA-N 0 0 422.887 5.675 50 5 HKBARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000009885112 571289435 /nfs/dbraw/zinc/28/94/35/571289435.db2.gz KFUTXZKBKYLHDJ-UHFFFAOYSA-N 0 0 414.295 5.242 50 5 HKBARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000009906305 569394345 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415.251 5.239 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000010060057 569395141 /nfs/dbraw/zinc/39/51/41/569395141.db2.gz WEHRVKXRBPXOCY-UHFFFAOYSA-N 0 0 417.676 5.498 50 5 HKBARN CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 ZINC000010187529 571296019 /nfs/dbraw/zinc/29/60/19/571296019.db2.gz YUBZFUCMJYJZRU-UHFFFAOYSA-N 0 0 423.450 5.043 50 5 HKBARN CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000010187559 571296036 /nfs/dbraw/zinc/29/60/36/571296036.db2.gz SIRMXYCDVCGSPF-UHFFFAOYSA-N 0 0 424.507 5.070 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2c(cccc2Cl)s1 ZINC000010187574 571296066 /nfs/dbraw/zinc/29/60/66/571296066.db2.gz LDAPAHIPTJYRSH-UHFFFAOYSA-N 0 0 424.869 5.100 50 5 HKBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1nc2c(cccc2Cl)s1 ZINC000010187575 571296093 /nfs/dbraw/zinc/29/60/93/571296093.db2.gz JMAJYKCCXHJOFX-UHFFFAOYSA-N 0 0 424.869 5.100 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 ZINC000010187631 571296095 /nfs/dbraw/zinc/29/60/95/571296095.db2.gz DPFRYKBBWHMORE-UHFFFAOYSA-N 0 0 424.869 5.100 50 5 HKBARN Cc1cc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000010215042 571297026 /nfs/dbraw/zinc/29/70/26/571297026.db2.gz SMLSGSOOOLHWCJ-UHFFFAOYSA-N 0 0 422.832 5.068 50 5 HKBARN O=C(CCCSc1ccccc1)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 ZINC000010217823 569253542 /nfs/dbraw/zinc/25/35/42/569253542.db2.gz YLXDKTFJNHVPHD-UHFFFAOYSA-N 0 0 405.526 5.291 50 5 HKBARN Cc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1[N+](=O)[O-] ZINC000010235421 571297895 /nfs/dbraw/zinc/29/78/95/571297895.db2.gz IEYOTOOXROECDQ-UHFFFAOYSA-N 0 0 415.902 5.186 50 5 HKBARN Cc1c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cccc1[N+](=O)[O-] ZINC000010235715 571297838 /nfs/dbraw/zinc/29/78/38/571297838.db2.gz CGFJLTFTYZXKOG-UHFFFAOYSA-N 0 0 415.902 5.186 50 5 HKBARN CCSc1ccc(CC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 ZINC000010252477 571298290 /nfs/dbraw/zinc/29/82/90/571298290.db2.gz GTSWWFYWMHJPCR-UHFFFAOYSA-N 0 0 405.526 5.073 50 5 HKBARN CCc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000010254244 569254207 /nfs/dbraw/zinc/25/42/07/569254207.db2.gz CYCWMCFUJBVUQH-UHFFFAOYSA-N 0 0 424.507 5.070 50 5 HKBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(C(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000010254606 569254291 /nfs/dbraw/zinc/25/42/91/569254291.db2.gz KXXSFGYSTSRSGW-UHFFFAOYSA-N 0 0 422.268 5.154 50 5 HKBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000010421657 571302283 /nfs/dbraw/zinc/30/22/83/571302283.db2.gz CSANHYDDWDOCQZ-UHFFFAOYSA-N 0 0 405.435 5.134 50 5 HKBARN O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000010423268 571302315 /nfs/dbraw/zinc/30/23/15/571302315.db2.gz IJQNHPPNKWNGJM-UHFFFAOYSA-N 0 0 408.364 5.259 50 5 HKBARN Cc1cc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2cc1Cl ZINC000010490679 571303776 /nfs/dbraw/zinc/30/37/76/571303776.db2.gz AYGIPBPXWWTHNO-UHFFFAOYSA-N 0 0 413.842 5.679 50 5 HKBARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])s4)n3)oc21 ZINC000010749595 558436484 /nfs/dbraw/zinc/43/64/84/558436484.db2.gz HBNBNIXOVXRIRW-UHFFFAOYSA-N 0 0 415.452 5.177 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1sc2ccccc2c1Cl ZINC000010822416 569397073 /nfs/dbraw/zinc/39/70/73/569397073.db2.gz JQYLXQGWMWMEFG-UHFFFAOYSA-N 0 0 411.664 5.478 50 5 HKBARN Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000010902226 558548596 /nfs/dbraw/zinc/54/85/96/558548596.db2.gz UODPVMZPZRIAIW-UHFFFAOYSA-N 0 0 407.904 5.014 50 5 HKBARN Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000010903141 558556696 /nfs/dbraw/zinc/55/66/96/558556696.db2.gz JGHRCACGHZAFDX-UHFFFAOYSA-N 0 0 407.904 5.014 50 5 HKBARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])c2n1 ZINC000011193894 558932806 /nfs/dbraw/zinc/93/28/06/558932806.db2.gz VVQLPVGGJKSTFQ-UHFFFAOYSA-N 0 0 420.252 5.084 50 5 HKBARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c2n1 ZINC000011193899 558932982 /nfs/dbraw/zinc/93/29/82/558932982.db2.gz ZJMPOFXNKSJNDE-UHFFFAOYSA-N 0 0 420.252 5.084 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000011227537 558892355 /nfs/dbraw/zinc/89/23/55/558892355.db2.gz YFILTLNXFKDSAB-UHFFFAOYSA-N 0 0 421.482 5.210 50 5 HKBARN Cc1c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cccc1[N+](=O)[O-] ZINC000011227616 558892445 /nfs/dbraw/zinc/89/24/45/558892445.db2.gz BNLSMFMJCBDHQI-UHFFFAOYSA-N 0 0 421.482 5.210 50 5 HKBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1Oc1ccccc1 ZINC000011248198 559009559 /nfs/dbraw/zinc/00/95/59/559009559.db2.gz OJDGUIXAKSCCNY-UHFFFAOYSA-N 0 0 420.468 5.586 50 5 HKBARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccc([N+](=O)[O-])cc1Cl ZINC000011257067 132347950 /nfs/dbraw/zinc/34/79/50/132347950.db2.gz KBIHSWAQCQUINC-UHFFFAOYSA-N 0 0 410.861 5.039 50 5 HKBARN Cc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC000011322942 559052409 /nfs/dbraw/zinc/05/24/09/559052409.db2.gz HLGIOQNSFXTTPZ-UHFFFAOYSA-N 0 0 412.392 5.348 50 5 HKBARN Cc1ccc([C@H]2c3c(oc4c5ccccc5ccc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000011614563 559114074 /nfs/dbraw/zinc/11/40/74/559114074.db2.gz GSVHKBZSIFZMRH-FQEVSTJZSA-N 0 0 424.481 5.461 50 5 HKBARN Cc1ccc([C@@H]2c3c(oc4c5ccccc5ccc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000011614564 559114025 /nfs/dbraw/zinc/11/40/25/559114025.db2.gz GSVHKBZSIFZMRH-HXUWFJFHSA-N 0 0 424.481 5.461 50 5 HKBARN O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000011617157 559115571 /nfs/dbraw/zinc/11/55/71/559115571.db2.gz LMUBSPAXYWJIJF-UHFFFAOYSA-N 0 0 417.446 5.763 50 5 HKBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1Oc1ccccc1 ZINC000011617193 559115616 /nfs/dbraw/zinc/11/56/16/559115616.db2.gz KNSBDZYRBIRVHM-UHFFFAOYSA-N 0 0 417.446 5.763 50 5 HKBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3Oc3ccccc3)nc21 ZINC000011617208 559115631 /nfs/dbraw/zinc/11/56/31/559115631.db2.gz FJUJORYWGRROLU-UHFFFAOYSA-N 0 0 421.434 5.258 50 5 HKBARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc([N+](=O)[O-])s1 ZINC000011617344 559115633 /nfs/dbraw/zinc/11/56/33/559115633.db2.gz IWYMPPSUISKVJG-UHFFFAOYSA-N 0 0 406.297 5.400 50 5 HKBARN CCCOc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 ZINC000011617444 559115685 /nfs/dbraw/zinc/11/56/85/559115685.db2.gz QFJALJITTRMKGL-UHFFFAOYSA-N 0 0 417.874 5.413 50 5 HKBARN Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2c3ccccc3c(=O)oc12 ZINC000011692225 558270316 /nfs/dbraw/zinc/27/03/16/558270316.db2.gz QPPYONSLHONHRD-UHFFFAOYSA-N 0 0 415.323 5.974 50 5 HKBARN CCCc1cc(=O)oc2cc(Oc3c([N+](=O)[O-])cc(C(F)F)cc3[N+](=O)[O-])ccc12 ZINC000011692229 559186297 /nfs/dbraw/zinc/18/62/97/559186297.db2.gz TYAZHLGRAUQYDS-UHFFFAOYSA-N 0 0 420.324 5.292 50 5 HKBARN Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000011692374 569398991 /nfs/dbraw/zinc/39/89/91/569398991.db2.gz YEAWOYCVFMIFME-UHFFFAOYSA-N 0 0 418.361 5.377 50 5 HKBARN Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc2c3ccccc3oc(=O)c12 ZINC000011726701 559255809 /nfs/dbraw/zinc/25/58/09/559255809.db2.gz BKBAKCMGTYLBNF-UHFFFAOYSA-N 0 0 422.868 5.099 50 5 HKBARN COC(=O)c1sc2ccccc2c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000011852792 559262572 /nfs/dbraw/zinc/26/25/72/559262572.db2.gz FKHVRVAOYOIMBW-UHFFFAOYSA-N 0 0 412.448 5.063 50 5 HKBARN Cc1ccc(-c2nc3c4ccccc4oc3c3c4ccc(C)c(C)c4oc(=O)c23)cc1 ZINC000011865275 559263429 /nfs/dbraw/zinc/26/34/29/559263429.db2.gz UEFRIPJNFYAFEO-UHFFFAOYSA-N 0 0 405.453 6.833 50 5 HKBARN O=c1c2ccccc2oc2cc(OCc3ccc(Br)cc3F)cc(O)c12 ZINC000011865616 559263814 /nfs/dbraw/zinc/26/38/14/559263814.db2.gz YSNQATOZZOLENL-UHFFFAOYSA-N 0 0 415.214 5.132 50 5 HKBARN Cc1cc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000011866525 569399061 /nfs/dbraw/zinc/39/90/61/569399061.db2.gz CFSIXZOHARPSDL-UHFFFAOYSA-N 0 0 418.361 5.377 50 5 HKBARN CCc1cc(=O)oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)cc12 ZINC000011866692 559264246 /nfs/dbraw/zinc/26/42/46/559264246.db2.gz HKEJSIZAQMCGDO-UHFFFAOYSA-N 0 0 413.735 5.728 50 5 HKBARN Cc1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000011897569 559265523 /nfs/dbraw/zinc/26/55/23/559265523.db2.gz CVYZELQGWAZPFL-QGZVFWFLSA-N 0 0 414.465 5.075 50 5 HKBARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000011897570 559265483 /nfs/dbraw/zinc/26/54/83/559265483.db2.gz CVYZELQGWAZPFL-KRWDZBQOSA-N 0 0 414.465 5.075 50 5 HKBARN O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccc(F)cc4)n3)o2)c(Cl)c1 ZINC000012041949 569399383 /nfs/dbraw/zinc/39/93/83/569399383.db2.gz SEBRMVYKSDBKQF-UHFFFAOYSA-N 0 0 415.833 6.514 50 5 HKBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000012042184 569399412 /nfs/dbraw/zinc/39/94/12/569399412.db2.gz VYFGYBAHAOCWPD-UHFFFAOYSA-N 0 0 411.628 6.067 50 5 HKBARN O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000012042187 569399423 /nfs/dbraw/zinc/39/94/23/569399423.db2.gz NIMXTZVWTZZPOJ-UHFFFAOYSA-N 0 0 421.634 5.523 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012042219 569399390 /nfs/dbraw/zinc/39/93/90/569399390.db2.gz FKPONIMWQHRXDM-UHFFFAOYSA-N 0 0 410.735 5.779 50 5 HKBARN O=C(Nc1ccccc1Oc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000012062411 569399513 /nfs/dbraw/zinc/39/95/13/569399513.db2.gz YLWRANXVVMLYRV-UHFFFAOYSA-N 0 0 407.425 5.991 50 5 HKBARN O=C(CSc1nc2ccccc2c2ccccc21)Nc1ccc(Cl)c(Cl)c1 ZINC000012139467 558334579 /nfs/dbraw/zinc/33/45/79/558334579.db2.gz AQYCJKXTZJVPAN-UHFFFAOYSA-N 0 0 413.329 6.426 50 5 HKBARN O=C(CSc1nc2ccccc2c2ccccc21)Nc1ccc(Cl)cc1Cl ZINC000012139468 558334560 /nfs/dbraw/zinc/33/45/60/558334560.db2.gz VOUWFTBZMLDZGM-UHFFFAOYSA-N 0 0 413.329 6.426 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000012192392 569399839 /nfs/dbraw/zinc/39/98/39/569399839.db2.gz ZDTLQQWOAYGVBJ-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 ZINC000012192400 569399854 /nfs/dbraw/zinc/39/98/54/569399854.db2.gz ZDTLQQWOAYGVBJ-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000012192538 569399867 /nfs/dbraw/zinc/39/98/67/569399867.db2.gz CPHXNEOTEMTONU-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Cl)c1)O2 ZINC000012194972 569399894 /nfs/dbraw/zinc/39/98/94/569399894.db2.gz USLGAOABFQHACH-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Cl)c1)O2 ZINC000012194977 569399871 /nfs/dbraw/zinc/39/98/71/569399871.db2.gz USLGAOABFQHACH-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000012285045 569399967 /nfs/dbraw/zinc/39/99/67/569399967.db2.gz YFOBTKXZAUPGEA-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN O=C(Nc1ccc(Br)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000012285486 568458730 /nfs/dbraw/zinc/45/87/30/568458730.db2.gz XLGMRMVJLBEOMU-UHFFFAOYSA-N 0 0 413.227 5.402 50 5 HKBARN O=[N+]([O-])c1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000012311608 568466083 /nfs/dbraw/zinc/46/60/83/568466083.db2.gz PQVVWSYJCDRHTR-UHFFFAOYSA-N 0 0 415.499 6.403 50 5 HKBARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000012342231 569400329 /nfs/dbraw/zinc/40/03/29/569400329.db2.gz AOSQWDLFMNKWIC-UHFFFAOYSA-N 0 0 424.416 5.650 50 5 HKBARN O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc2ccccc2c1 ZINC000012344311 568492810 /nfs/dbraw/zinc/49/28/10/568492810.db2.gz TYRWCZYXWCKHKC-YBFXNURJSA-N 0 0 424.865 5.638 50 5 HKBARN Brc1cc2c(cc1-c1nc3ccc4ccccc4c3c3c1CCC3)OCO2 ZINC000012360351 568509333 /nfs/dbraw/zinc/50/93/33/568509333.db2.gz MULGMXJFKLZBDF-UHFFFAOYSA-N 0 0 418.290 6.035 50 5 HKBARN O=c1c2ccccc2sc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000012360516 558386855 /nfs/dbraw/zinc/38/68/55/558386855.db2.gz VZRDKXVYGVURNV-UHFFFAOYSA-N 0 0 417.511 5.369 50 5 HKBARN Cc1ccc(Sc2sc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2[N+](=O)[O-])cc1 ZINC000012369222 569400442 /nfs/dbraw/zinc/40/04/42/569400442.db2.gz KXMGBQCCWRYMOX-UHFFFAOYSA-N 0 0 418.521 6.484 50 5 HKBARN O=[N+]([O-])c1ccc(-c2csc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000012369459 569400355 /nfs/dbraw/zinc/40/03/55/569400355.db2.gz KXRHDQXCUCKJOA-UHFFFAOYSA-N 0 0 419.211 6.711 50 5 HKBARN O=C(Sc1ccccn1)c1ccc(Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000012369661 569400403 /nfs/dbraw/zinc/40/04/03/569400403.db2.gz BBRZBINNRRTOGB-UHFFFAOYSA-N 0 0 421.261 6.021 50 5 HKBARN Cc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C[C@H](O)CSc1ccccc1 ZINC000012372330 569400471 /nfs/dbraw/zinc/40/04/71/569400471.db2.gz ICRVBBCPMFAGEF-FQEVSTJZSA-N 0 0 418.518 5.678 50 5 HKBARN Cc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C[C@@H](O)CSc1ccccc1 ZINC000012372331 569400568 /nfs/dbraw/zinc/40/05/68/569400568.db2.gz ICRVBBCPMFAGEF-HXUWFJFHSA-N 0 0 418.518 5.678 50 5 HKBARN O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2CCCCCCO)cc1 ZINC000012374723 569400474 /nfs/dbraw/zinc/40/04/74/569400474.db2.gz QYLHWQSXKJDCTB-LNVKXUELSA-N 0 0 415.490 5.049 50 5 HKBARN O=[N+]([O-])c1ccccc1/C=C/c1nc2ccccc2nc1/C=C/c1ccccc1[N+](=O)[O-] ZINC000012375271 569400487 /nfs/dbraw/zinc/40/04/87/569400487.db2.gz FUFPOULHVJEWTJ-WXUKJITCSA-N 0 0 424.416 5.787 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000012375698 569400512 /nfs/dbraw/zinc/40/05/12/569400512.db2.gz RRWIWKACEFTYFQ-DHZHZOJOSA-N 0 0 419.824 5.708 50 5 HKBARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000012377805 568552299 /nfs/dbraw/zinc/55/22/99/568552299.db2.gz KRITZMZCTBPMRJ-PFONDFGASA-N 0 0 410.433 5.099 50 5 HKBARN Cc1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000012377806 569400643 /nfs/dbraw/zinc/40/06/43/569400643.db2.gz UWXUPXFFCDIXKE-QINSGFPZSA-N 0 0 424.460 5.408 50 5 HKBARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000012377980 568552455 /nfs/dbraw/zinc/55/24/55/568552455.db2.gz APHMMWVWGWFITQ-UHFFFAOYSA-N 0 0 406.008 5.009 50 5 HKBARN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000012383072 569400733 /nfs/dbraw/zinc/40/07/33/569400733.db2.gz RRHWKSFOKSBJGB-UHFFFAOYSA-N 0 0 421.409 5.380 50 5 HKBARN CC(C)OC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 ZINC000012401621 569400829 /nfs/dbraw/zinc/40/08/29/569400829.db2.gz UWRHLYPGGHLBHE-UHFFFAOYSA-N 0 0 422.890 5.006 50 5 HKBARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000012401622 568704041 /nfs/dbraw/zinc/70/40/41/568704041.db2.gz QJAHIXUOPMLRPD-UHFFFAOYSA-N 0 0 422.890 5.006 50 5 HKBARN O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)ccc1Cl ZINC000012403953 569400832 /nfs/dbraw/zinc/40/08/32/569400832.db2.gz XLZHPXGYQYOQID-UGKGYDQZSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000012403956 569400831 /nfs/dbraw/zinc/40/08/31/569400831.db2.gz HKQGXIJWDFKKKP-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN CCc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(SC)cc2)cc1 ZINC000012413238 568716069 /nfs/dbraw/zinc/71/60/69/568716069.db2.gz LHUFJWVOSHEXOE-QHCPKHFHSA-N 0 0 420.534 6.305 50 5 HKBARN CCc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(SC)cc2)cc1 ZINC000012413240 568715990 /nfs/dbraw/zinc/71/59/90/568715990.db2.gz LHUFJWVOSHEXOE-HSZRJFAPSA-N 0 0 420.534 6.305 50 5 HKBARN COc1cc(-c2cc(-c3ccccc3)nc3ccc4ncccc4c32)cc(OC)c1OC ZINC000012418810 558402706 /nfs/dbraw/zinc/40/27/06/558402706.db2.gz OEFWBAHEKIBQLG-UHFFFAOYSA-N 0 0 422.484 6.143 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc2ccccc2c1 ZINC000012436775 569401222 /nfs/dbraw/zinc/40/12/22/569401222.db2.gz IPZZWXSMTVQMKM-NTCAYCPXSA-N 0 0 419.440 5.618 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000012437004 569401163 /nfs/dbraw/zinc/40/11/63/569401163.db2.gz VFIRWULDNDNTDY-AHWVRZQESA-N 0 0 421.456 5.990 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c1 ZINC000012437005 569401203 /nfs/dbraw/zinc/40/12/03/569401203.db2.gz VFIRWULDNDNTDY-RSXGOPAZSA-N 0 0 421.456 5.990 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)c1 ZINC000012437094 569401213 /nfs/dbraw/zinc/40/12/13/569401213.db2.gz BXEQXRAKTPGBPO-AHWVRZQESA-N 0 0 421.456 5.990 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)c1 ZINC000012437095 569401227 /nfs/dbraw/zinc/40/12/27/569401227.db2.gz BXEQXRAKTPGBPO-AZGAKELHSA-N 0 0 421.456 5.990 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)c1 ZINC000012437096 569401239 /nfs/dbraw/zinc/40/12/39/569401239.db2.gz BXEQXRAKTPGBPO-RSXGOPAZSA-N 0 0 421.456 5.990 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)c1 ZINC000012437097 569401353 /nfs/dbraw/zinc/40/13/53/569401353.db2.gz BXEQXRAKTPGBPO-AOYPEHQESA-N 0 0 421.456 5.990 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccc2ccccc2c1 ZINC000012437115 569401309 /nfs/dbraw/zinc/40/13/09/569401309.db2.gz YJSQPHRZLQJCAM-JQIJEIRASA-N 0 0 419.440 5.618 50 5 HKBARN Cc1cc(C)c2c(n1)sc1c2nc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000012446576 569401406 /nfs/dbraw/zinc/40/14/06/569401406.db2.gz WROSHIIIXBEEBZ-UHFFFAOYSA-N 0 0 412.474 6.099 50 5 HKBARN COc1c(C)cccc1C(=O)Nc1ccc2sc3ccc(Cl)cc3c(=O)c2c1 ZINC000012462958 558419613 /nfs/dbraw/zinc/41/96/13/558419613.db2.gz NVWGRTUDVZJJNS-UHFFFAOYSA-N 0 0 409.894 5.637 50 5 HKBARN CSc1cccc2sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)nc21 ZINC000012467948 568838005 /nfs/dbraw/zinc/83/80/05/568838005.db2.gz NDNZZGDCJULNAG-UHFFFAOYSA-N 0 0 418.499 5.530 50 5 HKBARN Cc1cc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc12 ZINC000012486184 568838832 /nfs/dbraw/zinc/83/88/32/568838832.db2.gz KGNFRRGXADCARQ-GFCCVEGCSA-N 0 0 401.875 5.224 50 5 HKBARN CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000012496894 558423661 /nfs/dbraw/zinc/42/36/61/558423661.db2.gz MJLXQSQYKZWZCB-DQFWFXSYSA-O 0 0 424.646 5.893 50 5 endogenous,in-man HKBARN CC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012517510 535374947 /nfs/dbraw/zinc/37/49/47/535374947.db2.gz LKUNOZFMCRATDT-UHFFFAOYSA-N 0 0 409.530 5.697 50 5 HKBARN c1ccc(-c2nc3nc4c5ccccc5c5ccccc5c4nn3c2-c2ccccc2)cc1 ZINC000012523842 558424247 /nfs/dbraw/zinc/42/42/47/558424247.db2.gz ARPLVIYZMOSWMX-UHFFFAOYSA-N 0 0 422.491 6.918 50 5 HKBARN Cc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000012524001 525973389 /nfs/dbraw/zinc/97/33/89/525973389.db2.gz FTSORAJKURZLHL-VHXPQNKSSA-N 0 0 401.491 5.963 50 5 HKBARN CC(C)CN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000012525056 519707142 /nfs/dbraw/zinc/70/71/42/519707142.db2.gz UDZRSCSXSBQMSB-UHFFFAOYSA-N 0 0 424.526 5.108 50 5 HKBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Nc2ccccc2)cc1 ZINC000012526681 568843099 /nfs/dbraw/zinc/84/30/99/568843099.db2.gz GOLPXEIHUWRHSW-UHFFFAOYSA-N 0 0 419.484 5.537 50 5 HKBARN CCN(c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1)C(C)C ZINC000012527477 568843634 /nfs/dbraw/zinc/84/36/34/568843634.db2.gz AVQBSZCAKBRTOD-UHFFFAOYSA-N 0 0 413.521 5.028 50 5 HKBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(OC2CCCC2)c1 ZINC000012527927 568843816 /nfs/dbraw/zinc/84/38/16/568843816.db2.gz CTMBQHCMSDOWCV-UHFFFAOYSA-N 0 0 412.489 5.115 50 5 HKBARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012527991 568843765 /nfs/dbraw/zinc/84/37/65/568843765.db2.gz QAFQIEPSDODOTN-QGZVFWFLSA-N 0 0 410.473 5.121 50 5 HKBARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012527992 568843767 /nfs/dbraw/zinc/84/37/67/568843767.db2.gz QAFQIEPSDODOTN-KRWDZBQOSA-N 0 0 410.473 5.121 50 5 HKBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(OC2CCCC2)cc1 ZINC000012537622 568846216 /nfs/dbraw/zinc/84/62/16/568846216.db2.gz ASFUUCZZFAJPCH-UHFFFAOYSA-N 0 0 412.489 5.115 50 5 HKBARN Clc1ccc(SCCSc2nc3ccccc3c3nc4ccccc4n32)cc1 ZINC000012546539 568850754 /nfs/dbraw/zinc/85/07/54/568850754.db2.gz DBOXATFDGIUPIE-UHFFFAOYSA-N 0 0 421.978 6.574 50 5 HKBARN CC(C)c1ccc(OC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 ZINC000012547030 568850860 /nfs/dbraw/zinc/85/08/60/568850860.db2.gz FJMLSSBCEYQWHJ-UHFFFAOYSA-N 0 0 424.884 6.203 50 5 HKBARN CC(C)CCOc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000012547116 568850855 /nfs/dbraw/zinc/85/08/55/568850855.db2.gz QURDSZRMKJIJBC-UHFFFAOYSA-N 0 0 412.489 6.902 50 5 HKBARN CSCC[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000012549715 568852130 /nfs/dbraw/zinc/85/21/30/568852130.db2.gz ILDPTSKMNDNIMJ-OAHLLOKOSA-N 0 0 410.421 5.396 50 5 HKBARN CSCC[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000012549717 568852288 /nfs/dbraw/zinc/85/22/88/568852288.db2.gz ILDPTSKMNDNIMJ-HNNXBMFYSA-N 0 0 410.421 5.396 50 5 HKBARN O=[N+]([O-])c1cccnc1Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000012551306 568853434 /nfs/dbraw/zinc/85/34/34/568853434.db2.gz HLJRYWRGIVWBBO-UHFFFAOYSA-N 0 0 423.479 5.528 50 5 HKBARN Cn1ccnc1[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000012560210 568857472 /nfs/dbraw/zinc/85/74/72/568857472.db2.gz UEWSWNFDXNOKNG-INIZCTEOSA-N 0 0 410.783 5.202 50 5 HKBARN Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000012560211 568857456 /nfs/dbraw/zinc/85/74/56/568857456.db2.gz UEWSWNFDXNOKNG-MRXNPFEDSA-N 0 0 410.783 5.202 50 5 HKBARN Cn1ccnc1[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000012560422 568858297 /nfs/dbraw/zinc/85/82/97/568858297.db2.gz WFSRSDXNOGYNBZ-INIZCTEOSA-N 0 0 410.783 5.202 50 5 HKBARN Cn1ccnc1[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000012560424 568858329 /nfs/dbraw/zinc/85/83/29/568858329.db2.gz WFSRSDXNOGYNBZ-MRXNPFEDSA-N 0 0 410.783 5.202 50 5 HKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000012560584 568858340 /nfs/dbraw/zinc/85/83/40/568858340.db2.gz BSNLQCJQUKSIAD-UHFFFAOYSA-N 0 0 407.817 5.436 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012564709 569401838 /nfs/dbraw/zinc/40/18/38/569401838.db2.gz XNQRDITYYILEPF-UHFFFAOYSA-N 0 0 418.840 5.353 50 5 HKBARN Cc1c(=O)c2cccc(C(=O)Oc3cc(F)ccc3[N+](=O)[O-])c2oc1-c1ccccc1 ZINC000012568084 568860717 /nfs/dbraw/zinc/86/07/17/568860717.db2.gz QMWJRIPJZDAAMA-UHFFFAOYSA-N 0 0 419.364 5.035 50 5 HKBARN Cc1cc(C)c(C)c(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000012568192 568860859 /nfs/dbraw/zinc/86/08/59/568860859.db2.gz PWVCLWJOARGEDH-UHFFFAOYSA-N 0 0 412.433 5.578 50 5 HKBARN Cc1sc2[nH]c(CSc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012568584 568861106 /nfs/dbraw/zinc/86/11/06/568861106.db2.gz BLGSMKTZUHHVEE-UHFFFAOYSA-N 0 0 423.519 5.469 50 5 HKBARN CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2OCc2ccccc2)c1 ZINC000012585060 568866120 /nfs/dbraw/zinc/86/61/20/568866120.db2.gz KTTQIYGGOBSMCS-UHFFFAOYSA-N 0 0 422.506 5.928 50 5 HKBARN O=[N+]([O-])c1c(Cc2ccccc2)nc2sc3c(c2c1-c1ccccc1)CCCC3 ZINC000012597386 568869148 /nfs/dbraw/zinc/86/91/48/568869148.db2.gz ZTAJOUCZYWSPDJ-UHFFFAOYSA-N 0 0 400.503 6.341 50 5 HKBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCc1ccccc1 ZINC000012616984 568872231 /nfs/dbraw/zinc/87/22/31/568872231.db2.gz RPKZRLMKPTXAHR-UHFFFAOYSA-N 0 0 424.478 5.071 50 5 HKBARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000012624285 569402191 /nfs/dbraw/zinc/40/21/91/569402191.db2.gz DLWKKSQLEIIHCX-UHFFFAOYSA-N 0 0 414.446 5.605 50 5 HKBARN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])nc3)nnc2-c2ccccc2)cc1C ZINC000012645429 568885755 /nfs/dbraw/zinc/88/57/55/568885755.db2.gz NOQNXFNVSAOWLO-UHFFFAOYSA-N 0 0 403.467 5.006 50 5 HKBARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000012652768 568906643 /nfs/dbraw/zinc/90/66/43/568906643.db2.gz WYSZBTFHHJUBEL-UHFFFAOYSA-N 0 0 417.490 5.162 50 5 HKBARN COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCc1ccccc1 ZINC000012654377 569402336 /nfs/dbraw/zinc/40/23/36/569402336.db2.gz DTKPCJXMHXQZNA-XYOKQWHBSA-N 0 0 418.474 5.963 50 5 HKBARN O=C(Nc1ccccc1)c1sc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000012685940 568908341 /nfs/dbraw/zinc/90/83/41/568908341.db2.gz FJTHCUAWHOZHED-UHFFFAOYSA-N 0 0 422.510 5.715 50 5 HKBARN O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012695290 568915945 /nfs/dbraw/zinc/91/59/45/568915945.db2.gz CGBSNIRYNCGBKG-UHFFFAOYSA-N 0 0 424.869 5.528 50 5 HKBARN Cc1ccc(-c2c3c4c(sc3nc(Cc3ccccc3)c2[N+](=O)[O-])CCC4)cc1 ZINC000012699593 568917083 /nfs/dbraw/zinc/91/70/83/568917083.db2.gz IAEUCUVNELRJAF-UHFFFAOYSA-N 0 0 400.503 6.259 50 5 HKBARN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 ZINC000012699954 568917043 /nfs/dbraw/zinc/91/70/43/568917043.db2.gz LMWRZJRMZPRRTD-UHFFFAOYSA-N 0 0 402.472 5.019 50 5 HKBARN CC(=O)Nc1cc(NCCC(c2ccccc2)c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000012727464 568920960 /nfs/dbraw/zinc/92/09/60/568920960.db2.gz KDWXBBBKZSSYRB-UHFFFAOYSA-N 0 0 407.445 5.326 50 5 HKBARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012731630 568922809 /nfs/dbraw/zinc/92/28/09/568922809.db2.gz DAIQKOVGXWDNLW-UHFFFAOYSA-N 0 0 410.817 5.145 50 5 HKBARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012755641 568942937 /nfs/dbraw/zinc/94/29/37/568942937.db2.gz LECXALLRDMWANN-UHFFFAOYSA-N 0 0 413.842 5.048 50 5 HKBARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012764082 568947262 /nfs/dbraw/zinc/94/72/62/568947262.db2.gz HCLSFXKKEHHSKA-UHFFFAOYSA-N 0 0 413.842 5.048 50 5 HKBARN Clc1ccccc1-c1nnc(Cn2c3ccccc3c3nc4ccccc4nc32)o1 ZINC000012776377 569403324 /nfs/dbraw/zinc/40/33/24/569403324.db2.gz MJTXGNRNTUPIQX-UHFFFAOYSA-N 0 0 411.852 5.489 50 5 HKBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000012777415 568955889 /nfs/dbraw/zinc/95/58/89/568955889.db2.gz FMAAHKJKOCPPIZ-CQSZACIVSA-N 0 0 413.861 5.055 50 5 HKBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000012777422 568955812 /nfs/dbraw/zinc/95/58/12/568955812.db2.gz FMAAHKJKOCPPIZ-AWEZNQCLSA-N 0 0 413.861 5.055 50 5 HKBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000012777429 568955861 /nfs/dbraw/zinc/95/58/61/568955861.db2.gz JHXKJCYSSQQWLA-CQSZACIVSA-N 0 0 413.861 5.055 50 5 HKBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000012777435 568955805 /nfs/dbraw/zinc/95/58/05/568955805.db2.gz JHXKJCYSSQQWLA-AWEZNQCLSA-N 0 0 413.861 5.055 50 5 HKBARN Cc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c([N+](=O)[O-])c1 ZINC000012799058 569403664 /nfs/dbraw/zinc/40/36/64/569403664.db2.gz TWBGKTVSSXUONO-UHFFFAOYSA-N 0 0 404.451 5.251 50 5 HKBARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000012805013 568979564 /nfs/dbraw/zinc/97/95/64/568979564.db2.gz OINZNMJZJWBWMG-UHFFFAOYSA-N 0 0 410.817 5.145 50 5 HKBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000012818977 568990640 /nfs/dbraw/zinc/99/06/40/568990640.db2.gz KQYUIWXNJMRKRY-UHFFFAOYSA-N 0 0 416.836 5.239 50 5 HKBARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000012819219 568990890 /nfs/dbraw/zinc/99/08/90/568990890.db2.gz KFFAMRKPGNXSBH-UHFFFAOYSA-N 0 0 413.842 5.048 50 5 HKBARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000012843640 569404019 /nfs/dbraw/zinc/40/40/19/569404019.db2.gz UKWMDHVBSKUPDY-UHFFFAOYSA-N 0 0 415.453 5.013 50 5 HKBARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000012852527 569010534 /nfs/dbraw/zinc/01/05/34/569010534.db2.gz RMIHJVIJLYDQPI-UHFFFAOYSA-N 0 0 417.874 5.153 50 5 HKBARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000012855434 569403963 /nfs/dbraw/zinc/40/39/63/569403963.db2.gz PHXMRGKCMWSWCO-UHFFFAOYSA-N 0 0 415.243 5.080 50 5 HKBARN Cc1cc2nc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3O)oc2cc1C ZINC000012856666 569403986 /nfs/dbraw/zinc/40/39/86/569403986.db2.gz KBRAWVFAIATEIE-UHFFFAOYSA-N 0 0 417.421 5.286 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000012857755 569404075 /nfs/dbraw/zinc/40/40/75/569404075.db2.gz NOZPZEZNFOFZHV-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012860513 132367939 /nfs/dbraw/zinc/36/79/39/132367939.db2.gz CCBZBMNXFRRPJZ-UHFFFAOYSA-N 0 0 413.477 5.409 50 5 HKBARN Cc1c(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cccc1[N+](=O)[O-] ZINC000012860668 569404098 /nfs/dbraw/zinc/40/40/98/569404098.db2.gz VIRWVDOBLKCWNO-UHFFFAOYSA-N 0 0 423.428 6.117 50 5 HKBARN O=[N+]([O-])c1cccc(C2=NNC(c3ccccc3)=C(c3nc4ccccc4s3)C2)c1 ZINC000012877904 569013968 /nfs/dbraw/zinc/01/39/68/569013968.db2.gz LWMMULIPWHSNAE-UHFFFAOYSA-N 0 0 412.474 5.470 50 5 HKBARN C[C@@H](Oc1ccc(Cl)cc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012903627 569404775 /nfs/dbraw/zinc/40/47/75/569404775.db2.gz YVKKEYCMRDNNNM-SECBINFHSA-N 0 0 424.638 5.201 50 5 HKBARN C[C@H](Oc1ccc(Cl)cc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012903632 569404778 /nfs/dbraw/zinc/40/47/78/569404778.db2.gz YVKKEYCMRDNNNM-VIFPVBQESA-N 0 0 424.638 5.201 50 5 HKBARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc([N+](=O)[O-])cc1Cl ZINC000012907908 569021241 /nfs/dbraw/zinc/02/12/41/569021241.db2.gz SDFSFHOCXRUMSX-UHFFFAOYSA-N 0 0 413.842 5.048 50 5 HKBARN Cc1ccc(Sc2ccc(COc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 ZINC000012955170 569405204 /nfs/dbraw/zinc/40/52/04/569405204.db2.gz KQIFUJSCMKDJGQ-UHFFFAOYSA-N 0 0 420.317 6.940 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1sccc1OCc1ccc(Cl)cc1Cl ZINC000012958036 569405404 /nfs/dbraw/zinc/40/54/04/569405404.db2.gz DAAKZGYOFPUAJO-UHFFFAOYSA-N 0 0 423.277 5.794 50 5 HKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(-c2ccccc2)c(F)c1 ZINC000012960619 569405494 /nfs/dbraw/zinc/40/54/94/569405494.db2.gz LMJKFADTBGRQGV-UHFFFAOYSA-N 0 0 422.290 6.120 50 5 HKBARN O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c2c3ccccc3c(Cl)cc12 ZINC000012961226 569405521 /nfs/dbraw/zinc/40/55/21/569405521.db2.gz DHCVUVRLUHQXIL-UHFFFAOYSA-N 0 0 409.194 6.069 50 5 HKBARN O=c1c(Oc2ccc(Cl)cc2)coc2cc(Oc3ncccc3[N+](=O)[O-])ccc12 ZINC000012964774 569405349 /nfs/dbraw/zinc/40/53/49/569405349.db2.gz WIWJMPWXYIACOI-UHFFFAOYSA-N 0 0 410.769 5.334 50 5 HKBARN CSc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000012974232 569405621 /nfs/dbraw/zinc/40/56/21/569405621.db2.gz RSAFFGCLKAHLFO-UHFFFAOYSA-N 0 0 404.538 5.282 50 5 HKBARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000012979207 559240473 /nfs/dbraw/zinc/24/04/73/559240473.db2.gz GITCFQLSLMZLCT-UHFFFAOYSA-N 0 0 417.874 5.153 50 5 HKBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012982701 569405758 /nfs/dbraw/zinc/40/57/58/569405758.db2.gz HJBCYTKLAUGUEC-GFCCVEGCSA-N 0 0 401.875 5.205 50 5 HKBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012982703 569405766 /nfs/dbraw/zinc/40/57/66/569405766.db2.gz HJBCYTKLAUGUEC-LBPRGKRZSA-N 0 0 401.875 5.205 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012986066 569405854 /nfs/dbraw/zinc/40/58/54/569405854.db2.gz FWKFBLTVVBWILS-QGZVFWFLSA-N 0 0 404.900 5.159 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2sccc2[C@H]1c1cccs1 ZINC000012986068 569405882 /nfs/dbraw/zinc/40/58/82/569405882.db2.gz FWKFBLTVVBWILS-KRWDZBQOSA-N 0 0 404.900 5.159 50 5 HKBARN CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000012995530 569406043 /nfs/dbraw/zinc/40/60/43/569406043.db2.gz CWJXXCPHRYXLAJ-UHFFFAOYSA-N 0 0 407.875 5.171 50 5 HKBARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000013001638 569406285 /nfs/dbraw/zinc/40/62/85/569406285.db2.gz GNZLJORGZHRFQX-UHFFFAOYSA-N 0 0 417.874 5.153 50 5 HKBARN Cc1cccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1[N+](=O)[O-] ZINC000013003285 569406521 /nfs/dbraw/zinc/40/65/21/569406521.db2.gz MPDGGVFEXRILKK-UHFFFAOYSA-N 0 0 407.373 5.298 50 5 HKBARN O=[N+]([O-])c1ccc(-c2csc(Cc3ncc(-c4ccc(Cl)cc4)s3)n2)cc1 ZINC000013027762 569407513 /nfs/dbraw/zinc/40/75/13/569407513.db2.gz HYZORWBEJSWTGK-UHFFFAOYSA-N 0 0 413.911 6.086 50 5 HKBARN Cc1c(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)cccc1[N+](=O)[O-] ZINC000013067932 569408460 /nfs/dbraw/zinc/40/84/60/569408460.db2.gz BMZYYQSMVREULN-UHFFFAOYSA-N 0 0 418.840 5.419 50 5 HKBARN Cc1c(NC(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc32)cccc1[N+](=O)[O-] ZINC000013067933 569408525 /nfs/dbraw/zinc/40/85/25/569408525.db2.gz QBHYBHLHEHFBOK-UHFFFAOYSA-N 0 0 418.840 5.419 50 5 HKBARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000013070429 569408561 /nfs/dbraw/zinc/40/85/61/569408561.db2.gz IDRHZWNOWIKQAZ-UHFFFAOYSA-N 0 0 422.510 5.351 50 5 HKBARN CCOc1ccc(Oc2ccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)cc2)cc1 ZINC000013096020 521182320 /nfs/dbraw/zinc/18/23/20/521182320.db2.gz XCSTXXDFAWLAJS-UHFFFAOYSA-N 0 0 424.478 5.760 50 5 HKBARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000013096591 569408943 /nfs/dbraw/zinc/40/89/43/569408943.db2.gz IUQPYGSXCHOLMW-UHFFFAOYSA-N 0 0 416.405 5.600 50 5 HKBARN O=[N+]([O-])c1ccccc1Oc1nc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000013098040 569409035 /nfs/dbraw/zinc/40/90/35/569409035.db2.gz QTHHMWASLNUZQZ-UHFFFAOYSA-N 0 0 423.881 6.201 50 5 HKBARN Cc1cc(C)cc(-c2nnc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)c1 ZINC000013120735 569409369 /nfs/dbraw/zinc/40/93/69/569409369.db2.gz RQWFYZKNJCSDTL-CYBMUJFWSA-N 0 0 423.454 5.165 50 5 HKBARN Cc1cc(C)cc(-c2nnc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)c1 ZINC000013120736 569409404 /nfs/dbraw/zinc/40/94/04/569409404.db2.gz RQWFYZKNJCSDTL-ZDUSSCGKSA-N 0 0 423.454 5.165 50 5 HKBARN O=[N+]([O-])c1ccc(COc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)cc1 ZINC000013125659 569409599 /nfs/dbraw/zinc/40/95/99/569409599.db2.gz VBWJZQMDFBMJOU-UHFFFAOYSA-N 0 0 421.840 5.590 50 5 aggregator HKBARN Cc1ccc(Sc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1 ZINC000013137353 569409829 /nfs/dbraw/zinc/40/98/29/569409829.db2.gz FWPUVVBZGQCSHC-UHFFFAOYSA-N 0 0 408.435 5.035 50 5 HKBARN O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1 ZINC000013143436 132454577 /nfs/dbraw/zinc/45/45/77/132454577.db2.gz YRZFCIYJGPXHAI-UHFFFAOYSA-N 0 0 418.284 5.071 50 5 HKBARN CC(=O)c1ccc(N2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000013144204 569409934 /nfs/dbraw/zinc/40/99/34/569409934.db2.gz YDPMXZQJQYSRJX-UHFFFAOYSA-N 0 0 424.888 5.225 50 5 aggregator HKBARN COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1 ZINC000013145983 569409977 /nfs/dbraw/zinc/40/99/77/569409977.db2.gz MOFUJTCQKBSULB-UHFFFAOYSA-N 0 0 424.526 5.659 50 5 HKBARN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc([C@H](O)c2nnc(-c3ccccc3)o2)cc1 ZINC000013148021 569409957 /nfs/dbraw/zinc/40/99/57/569409957.db2.gz LLZFQASZSOGMHQ-IBGZPJMESA-N 0 0 423.812 5.172 50 5 HKBARN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc([C@@H](O)c2nnc(-c3ccccc3)o2)cc1 ZINC000013148022 569409989 /nfs/dbraw/zinc/40/99/89/569409989.db2.gz LLZFQASZSOGMHQ-LJQANCHMSA-N 0 0 423.812 5.172 50 5 HKBARN C[C@@H](Oc1ccc(Br)cc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013148971 569409952 /nfs/dbraw/zinc/40/99/52/569409952.db2.gz GSQYEPVDLXLEKQ-SECBINFHSA-N 0 0 424.638 5.201 50 5 HKBARN Cc1cc(C)cc(N(C(=O)c2ccc(F)c([N+](=O)[O-])c2)c2nc3ccccc3s2)c1 ZINC000013150241 569410210 /nfs/dbraw/zinc/41/02/10/569410210.db2.gz OHIBAEOJKQQWIV-UHFFFAOYSA-N 0 0 421.453 5.939 50 5 HKBARN COc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1 ZINC000013207725 569410308 /nfs/dbraw/zinc/41/03/08/569410308.db2.gz LWDGMHNWYCLSFJ-IKPAITLHSA-N 0 0 417.468 6.370 50 5 HKBARN CCC(=O)Oc1cn(C2CCCCCC2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013210997 558525665 /nfs/dbraw/zinc/52/56/65/558525665.db2.gz SUSVDZOXIPYUMR-UHFFFAOYSA-N 0 0 404.514 5.610 50 5 HKBARN CCCC(=O)Oc1cn(C2CCCC2)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000013211210 558525632 /nfs/dbraw/zinc/52/56/32/558525632.db2.gz DKSPWKRAWGCDMO-UHFFFAOYSA-N 0 0 404.514 5.610 50 5 HKBARN CCCCC(=O)Oc1cn([C@@H](C)CC)c2nc(CCCC)n3c4ccccc4nc3c12 ZINC000013211640 558525658 /nfs/dbraw/zinc/52/56/58/558525658.db2.gz QCDIINJCXXXAEK-KRWDZBQOSA-N 0 0 420.557 6.246 50 5 HKBARN CCCCC(=O)Oc1cn([C@H](C)CC)c2nc(CCCC)n3c4ccccc4nc3c12 ZINC000013211643 558525671 /nfs/dbraw/zinc/52/56/71/558525671.db2.gz QCDIINJCXXXAEK-QGZVFWFLSA-N 0 0 420.557 6.246 50 5 HKBARN CCCCC(=O)Oc1cn(CC(C)C)c2nc(CCCC)n3c4ccccc4nc3c12 ZINC000013237780 558527705 /nfs/dbraw/zinc/52/77/05/558527705.db2.gz YUCBVRGPMZYTPD-UHFFFAOYSA-N 0 0 420.557 5.931 50 5 HKBARN CC(C)C(=O)Oc1cn(Cc2ccco2)c2nc(C(C)C)n3c4ccccc4nc3c12 ZINC000013237826 558527938 /nfs/dbraw/zinc/52/79/38/558527938.db2.gz MJCBBMAOQRZRMD-UHFFFAOYSA-N 0 0 416.481 5.163 50 5 HKBARN CCCC(=O)Oc1cn(Cc2ccco2)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000013237830 558527907 /nfs/dbraw/zinc/52/79/07/558527907.db2.gz QASSVQUZQYZTIT-UHFFFAOYSA-N 0 0 416.481 5.137 50 5 HKBARN CCC(=O)Oc1cn([C@@H](C)c2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013237913 558527972 /nfs/dbraw/zinc/52/79/72/558527972.db2.gz LKUHAMCUEYJZOC-INIZCTEOSA-N 0 0 412.493 5.324 50 5 HKBARN CCC(=O)Oc1cn([C@H](C)c2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013237917 558527984 /nfs/dbraw/zinc/52/79/84/558527984.db2.gz LKUHAMCUEYJZOC-MRXNPFEDSA-N 0 0 412.493 5.324 50 5 HKBARN CCCCC(=O)Oc1cn(C2CC2)c2nc(CCCC)n3c4ccccc4nc3c12 ZINC000013238013 558527918 /nfs/dbraw/zinc/52/79/18/558527918.db2.gz KYUJRVOMYUKUGZ-UHFFFAOYSA-N 0 0 404.514 5.610 50 5 HKBARN CC(C)C(=O)Oc1cn(C2CCCC2)c2nc(C(C)C)n3c4ccccc4nc3c12 ZINC000013238091 558527957 /nfs/dbraw/zinc/52/79/57/558527957.db2.gz RDCJXZJFHBAOAO-UHFFFAOYSA-N 0 0 404.514 5.637 50 5 HKBARN Cc1ccn2cc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 ZINC000013281327 569410364 /nfs/dbraw/zinc/41/03/64/569410364.db2.gz LMGQCLUYKUPFMR-UHFFFAOYSA-N 0 0 406.829 5.124 50 5 HKBARN Cc1ccn2cc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 ZINC000013281926 569410374 /nfs/dbraw/zinc/41/03/74/569410374.db2.gz SJMPQSXQLMGNPS-UHFFFAOYSA-N 0 0 406.829 5.124 50 5 HKBARN COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)c(OC)c1 ZINC000013282026 569410393 /nfs/dbraw/zinc/41/03/93/569410393.db2.gz PIYQMXIGAYKMMP-UHFFFAOYSA-N 0 0 415.449 5.645 50 5 HKBARN Cc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000013282358 569410379 /nfs/dbraw/zinc/41/03/79/569410379.db2.gz JVDRSPAFAOEXFY-DQSJHHFOSA-N 0 0 401.469 6.670 50 5 HKBARN Cc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1 ZINC000013282359 569410438 /nfs/dbraw/zinc/41/04/38/569410438.db2.gz IHIOYZHARVZLKH-IKPAITLHSA-N 0 0 401.469 6.670 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000013284640 569410403 /nfs/dbraw/zinc/41/04/03/569410403.db2.gz KBXDOAOATJGDAA-UHFFFAOYSA-N 0 0 410.260 6.626 50 5 HKBARN Cc1ccc2[nH]c(-c3cc4c(ccc5cc(Br)ccc54)oc3=O)nc2c1 ZINC000013286501 558529439 /nfs/dbraw/zinc/52/94/39/558529439.db2.gz XOAKKGIGXDWNCO-UHFFFAOYSA-N 0 0 405.251 5.560 50 5 HKBARN O=[N+]([O-])c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 ZINC000013301591 569254824 /nfs/dbraw/zinc/25/48/24/569254824.db2.gz NTWRXHSDYIBIDT-UHFFFAOYSA-N 0 0 415.499 6.403 50 5 HKBARN O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000013304383 569410579 /nfs/dbraw/zinc/41/05/79/569410579.db2.gz KBIJNBPJLRDAMS-UHFFFAOYSA-N 0 0 421.450 5.209 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2cccc3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 ZINC000013304828 569410640 /nfs/dbraw/zinc/41/06/40/569410640.db2.gz AMEIRTSHMPUIGO-SFQUDFHCSA-N 0 0 419.440 5.618 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000013370536 569412317 /nfs/dbraw/zinc/41/23/17/569412317.db2.gz VOVQOQHFEMQNOZ-VAWYXSNFSA-N 0 0 421.840 5.152 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000013382014 569413215 /nfs/dbraw/zinc/41/32/15/569413215.db2.gz PQXSGEFRIIEIGJ-RBBKRZOGSA-N 0 0 423.831 5.630 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000013382015 569413125 /nfs/dbraw/zinc/41/31/25/569413125.db2.gz PQXSGEFRIIEIGJ-IFMALSPDSA-N 0 0 423.831 5.630 50 5 HKBARN CN(C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)S[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-] ZINC000013466738 558262148 /nfs/dbraw/zinc/26/21/48/558262148.db2.gz RGLABPZDKNDTTA-VDKIKQQVSA-N 0 0 416.546 5.619 50 5 HKBARN CN(C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)S[C@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000013466743 558262057 /nfs/dbraw/zinc/26/20/57/558262057.db2.gz RGLABPZDKNDTTA-GIFXNVAJSA-N 0 0 416.546 5.619 50 5 HKBARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]3(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013510766 558835135 /nfs/dbraw/zinc/83/51/35/558835135.db2.gz LSHRJXIGFWJEOH-VWNXMTODSA-N 0 0 415.449 5.020 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]31N2 ZINC000013510988 558835213 /nfs/dbraw/zinc/83/52/13/558835213.db2.gz BTGZMYYPTSGPIQ-QSEAXJEQSA-N 0 0 423.516 6.552 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]31N2 ZINC000013510992 558835121 /nfs/dbraw/zinc/83/51/21/558835121.db2.gz BTGZMYYPTSGPIQ-KHVXQDHOSA-N 0 0 423.516 6.552 50 5 HKBARN COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(OC)cc2)cc1 ZINC000013511031 558535605 /nfs/dbraw/zinc/53/56/05/558535605.db2.gz APPZIXXELIPISY-UHFFFAOYSA-N 0 0 419.484 6.116 50 5 HKBARN Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2cccc(Cl)c2)cc1 ZINC000013512624 558835660 /nfs/dbraw/zinc/83/56/60/558835660.db2.gz GEOGXPDMDMAWHU-UHFFFAOYSA-N 0 0 407.904 7.060 50 5 HKBARN CCCC(=O)Oc1cn(C2CCCCC2)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000013539754 558537443 /nfs/dbraw/zinc/53/74/43/558537443.db2.gz XNGGEZMDUCTLKO-UHFFFAOYSA-N 0 0 418.541 6.000 50 5 HKBARN CC(=O)c1ccc(-c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c32)cc1 ZINC000013539992 558842554 /nfs/dbraw/zinc/84/25/54/558842554.db2.gz RCSBLOUQOYFAFU-UHFFFAOYSA-N 0 0 424.503 7.473 50 5 HKBARN CCC(=O)Oc1cn(-c2ccc(C)c(C)c2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013540294 558537479 /nfs/dbraw/zinc/53/74/79/558537479.db2.gz RDVHFDMRBKNCFP-UHFFFAOYSA-N 0 0 412.493 5.321 50 5 HKBARN CCC(=O)Oc1cn(-c2ccc(Cl)cc2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013540959 558537610 /nfs/dbraw/zinc/53/76/10/558537610.db2.gz QKSWTLRIQRPFHQ-UHFFFAOYSA-N 0 0 418.884 5.358 50 5 HKBARN O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N(C1CCCCC1)C1CCCCC1 ZINC000013574291 569256156 /nfs/dbraw/zinc/25/61/56/569256156.db2.gz SHLQJUBADRBOOM-UHFFFAOYSA-N 0 0 406.573 5.752 50 5 HKBARN O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccccc1Br ZINC000013576056 558543431 /nfs/dbraw/zinc/54/34/31/558543431.db2.gz AKQLHCGBEZCRDF-UHFFFAOYSA-N 0 0 412.214 5.100 50 5 HKBARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013602485 558846732 /nfs/dbraw/zinc/84/67/32/558846732.db2.gz MWDJGMFCABPNSQ-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000013615685 558847693 /nfs/dbraw/zinc/84/76/93/558847693.db2.gz HCWDMONZIDPUKF-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000013616405 558847145 /nfs/dbraw/zinc/84/71/45/558847145.db2.gz BTFCWGLJHSQQSI-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616469 558847226 /nfs/dbraw/zinc/84/72/26/558847226.db2.gz IZLWWNUATGXVOO-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000013616470 558847168 /nfs/dbraw/zinc/84/71/68/558847168.db2.gz IZLWWNUATGXVOO-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013616504 558847172 /nfs/dbraw/zinc/84/71/72/558847172.db2.gz QQCNZTAIKMONRS-JTHBVZDNSA-N 0 0 419.868 5.799 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013616506 558847180 /nfs/dbraw/zinc/84/71/80/558847180.db2.gz QQCNZTAIKMONRS-FYYLOGMGSA-N 0 0 419.868 5.799 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616648 558847203 /nfs/dbraw/zinc/84/72/03/558847203.db2.gz GKGSSGLMQKJWKT-XLIONFOSSA-N 0 0 411.870 5.552 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000013616649 558847157 /nfs/dbraw/zinc/84/71/57/558847157.db2.gz QJKKQQJLBPQUJM-XLIONFOSSA-N 0 0 411.870 5.552 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000013616651 558847193 /nfs/dbraw/zinc/84/71/93/558847193.db2.gz QJKKQQJLBPQUJM-YLJYHZDGSA-N 0 0 411.870 5.552 50 5 HKBARN c1ccc(-c2cc(-c3ccc4ccccc4n3)nc3cc4[nH]c5ccccc5c4cc32)cc1 ZINC000013617649 558549842 /nfs/dbraw/zinc/54/98/42/558549842.db2.gz INENWWSJXLSQKP-UHFFFAOYSA-N 0 0 421.503 7.752 50 5 HKBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(CC34CC5CC(CC(C5)C3)C4)nc12 ZINC000013643469 558555915 /nfs/dbraw/zinc/55/59/15/558555915.db2.gz OTBYMWVNHPSVFI-UHFFFAOYSA-N 0 0 403.555 5.263 50 5 HKBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccccc5Cl)nc34)c21 ZINC000013644002 558556222 /nfs/dbraw/zinc/55/62/22/558556222.db2.gz VHDILURCWODMQR-UHFFFAOYSA-N 0 0 401.829 5.454 50 5 HKBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H]5C[C@@H]5c5ccccc5)nc34)c21 ZINC000013644136 558556255 /nfs/dbraw/zinc/55/62/55/558556255.db2.gz PTLWPSVZSWKICP-CHWSQXEVSA-N 0 0 407.449 5.404 50 5 HKBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H]5C[C@@H]5c5ccccc5)nc34)c21 ZINC000013644139 558556241 /nfs/dbraw/zinc/55/62/41/558556241.db2.gz PTLWPSVZSWKICP-OLZOCXBDSA-N 0 0 407.449 5.404 50 5 HKBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H]5C[C@H]5c5ccccc5)nc34)c21 ZINC000013644142 558556246 /nfs/dbraw/zinc/55/62/46/558556246.db2.gz PTLWPSVZSWKICP-QWHCGFSZSA-N 0 0 407.449 5.404 50 5 HKBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H]5C[C@H]5c5ccccc5)nc34)c21 ZINC000013644145 558556244 /nfs/dbraw/zinc/55/62/44/558556244.db2.gz PTLWPSVZSWKICP-STQMWFEESA-N 0 0 407.449 5.404 50 5 HKBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc(COc5ccccc5C)nc34)c21 ZINC000013644182 558556249 /nfs/dbraw/zinc/55/62/49/558556249.db2.gz CHBLEVJGJDQCOB-UHFFFAOYSA-N 0 0 411.437 5.021 50 5 HKBARN CCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000013660544 558851304 /nfs/dbraw/zinc/85/13/04/558851304.db2.gz MBJAYMCLLZRZSL-TUQDCPSNSA-N 0 0 406.486 5.025 50 5 HKBARN CCCCCn1c2ccccc2nc1[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000013660548 558851335 /nfs/dbraw/zinc/85/13/35/558851335.db2.gz MBJAYMCLLZRZSL-CLVCIHKQSA-N 0 0 406.486 5.025 50 5 HKBARN Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Cl)cc2)cc1 ZINC000013739009 558862486 /nfs/dbraw/zinc/86/24/86/558862486.db2.gz KGTBJLZJQRAJJZ-UHFFFAOYSA-N 0 0 407.904 7.060 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(F)c(F)c1)O2 ZINC000013757378 558865293 /nfs/dbraw/zinc/86/52/93/558865293.db2.gz CVPXFFKFKSORAW-UNMCSNQZSA-N 0 0 407.376 5.115 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(F)c(F)c1)O2 ZINC000013757380 558865329 /nfs/dbraw/zinc/86/53/29/558865329.db2.gz CVPXFFKFKSORAW-IRLDBZIGSA-N 0 0 407.376 5.115 50 5 HKBARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2c3ccccc3cc3ccccc32)NC(=S)N1 ZINC000013763742 558591010 /nfs/dbraw/zinc/59/10/10/558591010.db2.gz CGEZOKKFQLWIGY-DEOSSOPVSA-N 0 0 423.541 5.425 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1ccccc1[N+](=O)[O-] ZINC000013786112 558868758 /nfs/dbraw/zinc/86/87/58/558868758.db2.gz QIFAFERBRAEGDS-BUHFOSPRSA-N 0 0 403.825 5.118 50 5 HKBARN COc1ccc(-n2c(-c3ccc(C)cc3)cn3c4ccc5ccccc5c4nc32)cc1 ZINC000013787670 558593750 /nfs/dbraw/zinc/59/37/50/558593750.db2.gz PRHIGGVRORCJMK-UHFFFAOYSA-N 0 0 403.485 6.415 50 5 HKBARN Cc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000013809688 558884492 /nfs/dbraw/zinc/88/44/92/558884492.db2.gz SIISHAOEOKJKTF-QFIPXVFZSA-N 0 0 419.868 5.548 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000013811330 558884482 /nfs/dbraw/zinc/88/44/82/558884482.db2.gz FVRAENGDNQCOOA-UHFFFAOYSA-N 0 0 420.812 5.218 50 5 HKBARN CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000013827876 560220688 /nfs/dbraw/zinc/22/06/88/560220688.db2.gz PWNAWOCHVWERAR-UHFFFAOYSA-N 0 0 421.734 5.341 50 5 in-vitro HKBARN O=C(COC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013856545 558886826 /nfs/dbraw/zinc/88/68/26/558886826.db2.gz JQDSOFHGZOWKDD-UHFFFAOYSA-N 0 0 411.797 5.080 50 5 HKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000013880536 558889440 /nfs/dbraw/zinc/88/94/40/558889440.db2.gz HHLVRTBAWXLEPG-UHFFFAOYSA-N 0 0 411.628 6.067 50 5 HKBARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000013893568 558891166 /nfs/dbraw/zinc/89/11/66/558891166.db2.gz XAWOXNGRWSMOLZ-UHFFFAOYSA-N 0 0 423.812 5.323 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000013939900 558984966 /nfs/dbraw/zinc/98/49/66/558984966.db2.gz HKQGXIJWDFKKKP-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)ccc1Cl ZINC000013943232 558984809 /nfs/dbraw/zinc/98/48/09/558984809.db2.gz XLZHPXGYQYOQID-KNQAVFIVSA-N 0 0 405.841 5.491 50 5 HKBARN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000013945513 558984855 /nfs/dbraw/zinc/98/48/55/558984855.db2.gz SNGCDXFXRUKXSV-UHFFFAOYSA-N 0 0 423.881 5.455 50 5 HKBARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013946062 558984935 /nfs/dbraw/zinc/98/49/35/558984935.db2.gz FVLSEQVNBGZLJU-UHFFFAOYSA-N 0 0 419.462 5.441 50 5 HKBARN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000013946106 558984835 /nfs/dbraw/zinc/98/48/35/558984835.db2.gz SYMOPAMKYPYGME-UHFFFAOYSA-N 0 0 407.813 5.617 50 5 HKBARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000013946112 558984754 /nfs/dbraw/zinc/98/47/54/558984754.db2.gz UHHXPQIUBVWHDO-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013946127 558984827 /nfs/dbraw/zinc/98/48/27/558984827.db2.gz OSVALBIOSVADKV-UHFFFAOYSA-N 0 0 415.453 5.013 50 5 HKBARN Cc1c(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cccc1[N+](=O)[O-] ZINC000013946130 558984780 /nfs/dbraw/zinc/98/47/80/558984780.db2.gz BPZDODIQOBCRHG-UHFFFAOYSA-N 0 0 415.405 5.154 50 5 HKBARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013946164 558984819 /nfs/dbraw/zinc/98/48/19/558984819.db2.gz JCJUFWCULNQKNQ-UHFFFAOYSA-N 0 0 405.435 5.132 50 5 HKBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000013946216 558984938 /nfs/dbraw/zinc/98/49/38/558984938.db2.gz NQVPCORRZAKTIW-UHFFFAOYSA-N 0 0 420.877 6.286 50 5 HKBARN CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000013946221 558984784 /nfs/dbraw/zinc/98/47/84/558984784.db2.gz JGPOMDGBJYSPBT-WYMLVPIESA-N 0 0 419.437 5.101 50 5 HKBARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000013950469 558985721 /nfs/dbraw/zinc/98/57/21/558985721.db2.gz HQLKHXMLAJQYQB-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000013954934 558985613 /nfs/dbraw/zinc/98/56/13/558985613.db2.gz OVMMQTLNINDBAD-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000013954935 558985922 /nfs/dbraw/zinc/98/59/22/558985922.db2.gz XNCYUWBMGDBGEC-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000013960498 559014465 /nfs/dbraw/zinc/01/44/65/559014465.db2.gz YKFRMKOXHWJKFC-UHFFFAOYSA-N 0 0 415.449 5.191 50 5 HKBARN Cc1c(-c2ccc(C)c(C)c2)nn(Cn2ccc([N+](=O)[O-])n2)c1-c1ccc(C)c(C)c1 ZINC000013960760 559014381 /nfs/dbraw/zinc/01/43/81/559014381.db2.gz IRLVXMJODRYYTL-UHFFFAOYSA-N 0 0 415.497 5.370 50 5 HKBARN CCOc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000013964318 559012018 /nfs/dbraw/zinc/01/20/18/559012018.db2.gz WYYDNPVDNBOSDO-UHFFFAOYSA-N 0 0 419.462 5.523 50 5 HKBARN COc1ccc(C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)cc1[N+](=O)[O-] ZINC000014069583 559148386 /nfs/dbraw/zinc/14/83/86/559148386.db2.gz MYPVZXXAUSASDL-UHFFFAOYSA-N 0 0 408.479 5.624 50 5 HKBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cccnc1SC(F)F ZINC000014084983 558618746 /nfs/dbraw/zinc/61/87/46/558618746.db2.gz JURJXLVOCIUAOP-UHFFFAOYSA-N 0 0 413.401 5.013 50 5 HKBARN COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] ZINC000014112283 559151820 /nfs/dbraw/zinc/15/18/20/559151820.db2.gz PTQPPTREOKWQGB-UHFFFAOYSA-N 0 0 424.265 5.286 50 5 HKBARN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000014162110 559154381 /nfs/dbraw/zinc/15/43/81/559154381.db2.gz CGQRGYVVHMELSN-UHFFFAOYSA-N 0 0 419.384 5.424 50 5 HKBARN Cc1cc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3c(C)noc3n2)c(C)s1 ZINC000014206865 559156714 /nfs/dbraw/zinc/15/67/14/559156714.db2.gz XLVVPEZFLCQZTJ-UHFFFAOYSA-N 0 0 408.439 5.037 50 5 HKBARN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000014206941 559156389 /nfs/dbraw/zinc/15/63/89/559156389.db2.gz QKDAAMPCSPYZPX-UHFFFAOYSA-N 0 0 413.433 5.488 50 5 HKBARN Cc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000014359047 559164774 /nfs/dbraw/zinc/16/47/74/559164774.db2.gz UWXUPXFFCDIXKE-NTCAYCPXSA-N 0 0 424.460 5.408 50 5 HKBARN COc1c(O)cc2c(=O)c3c(O)cc(O)c(CC=C(C)C)c3oc2c1CC=C(C)C ZINC000014727657 291293606 /nfs/dbraw/zinc/29/36/06/291293606.db2.gz CJBZJZGULKATPY-UHFFFAOYSA-N 0 0 410.466 5.089 50 5 biogenic,in-vitro HKBARN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2Cl)c1 ZINC000014943609 568456752 /nfs/dbraw/zinc/45/67/52/568456752.db2.gz LGYDHRNAGCBRMV-OUKQBFOZSA-N 0 0 417.852 5.941 50 5 HKBARN O=[N+]([O-])c1cc2sc(-c3ccc(Cl)cc3)c(Cl)c2c(Oc2ccccc2)c1 ZINC000015084462 568749916 /nfs/dbraw/zinc/74/99/16/568749916.db2.gz YYMNERGODXNNAY-UHFFFAOYSA-N 0 0 416.285 7.576 50 5 HKBARN O=[N+]([O-])c1cc2sc(-c3ccccc3)c(Cl)c2c(SCc2ccccc2)c1 ZINC000015084477 568749945 /nfs/dbraw/zinc/74/99/45/568749945.db2.gz ZHYBVBMNGYEHOW-UHFFFAOYSA-N 0 0 411.935 7.422 50 5 HKBARN C[C@@]1(C(=O)Nc2ccc3sc4ccc(Cl)cc4c(=O)c3c2)CC1(Cl)Cl ZINC000015108452 558723514 /nfs/dbraw/zinc/72/35/14/558723514.db2.gz ZRYSNSNXXVOISA-KRWDZBQOSA-N 0 0 412.725 5.591 50 5 HKBARN C[C@]1(C(=O)Nc2ccc3sc4ccc(Cl)cc4c(=O)c3c2)CC1(Cl)Cl ZINC000015108455 558723496 /nfs/dbraw/zinc/72/34/96/558723496.db2.gz ZRYSNSNXXVOISA-QGZVFWFLSA-N 0 0 412.725 5.591 50 5 HKBARN COCc1cc(C)nc2sc3c(nc(C(F)(F)F)n4c5ccccc5nc34)c21 ZINC000015109251 558723586 /nfs/dbraw/zinc/72/35/86/558723586.db2.gz YBMPOOFSMGFMLI-UHFFFAOYSA-N 0 0 402.401 5.119 50 5 HKBARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015110150 558723948 /nfs/dbraw/zinc/72/39/48/558723948.db2.gz UBQYNEZGOUKQPV-UHFFFAOYSA-N 0 0 406.225 5.370 50 5 HKBARN Cc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)c([N+](=O)[O-])n1 ZINC000015163727 568818384 /nfs/dbraw/zinc/81/83/84/568818384.db2.gz RDJVSJQAAONZIO-UHFFFAOYSA-N 0 0 419.466 5.036 50 5 HKBARN COc1ccc(Br)cc1-c1nc2c(c3ccccc3c3ccccc23)n1C ZINC000015219259 568819109 /nfs/dbraw/zinc/81/91/09/568819109.db2.gz OXEQQMXDJBQPAB-UHFFFAOYSA-N 0 0 417.306 6.318 50 5 HKBARN Cc1csc(Sc2ccc(C(=O)Nc3ccc(C)cc3F)cc2[N+](=O)[O-])n1 ZINC000015313836 568871898 /nfs/dbraw/zinc/87/18/98/568871898.db2.gz SSYBNFHPWDCYMU-UHFFFAOYSA-N 0 0 403.460 5.211 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)n2-c2ccccc2)cc1 ZINC000015525561 558742361 /nfs/dbraw/zinc/74/23/61/558742361.db2.gz VWSXKHFZLFUXKF-CYBMUJFWSA-N 0 0 421.309 5.128 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)n2-c2ccccc2)cc1 ZINC000015525563 568944803 /nfs/dbraw/zinc/94/48/03/568944803.db2.gz VWSXKHFZLFUXKF-ZDUSSCGKSA-N 0 0 421.309 5.128 50 5 HKBARN CC(C)c1ccc(N[C@@H](c2ccc([N+](=O)[O-])cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000015686254 568965562 /nfs/dbraw/zinc/96/55/62/568965562.db2.gz MEKXWLZWKDKYAF-DHVHOFFRSA-N 0 0 404.403 5.847 50 5 HKBARN CC(C)c1ccc(N[C@@H](c2ccc([N+](=O)[O-])cc2)[P@]2(=O)OCC[C@@H](C)O2)cc1 ZINC000015686259 568965512 /nfs/dbraw/zinc/96/55/12/568965512.db2.gz MEKXWLZWKDKYAF-UXQUNRQXSA-N 0 0 404.403 5.847 50 5 HKBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1SCc1ccsc1 ZINC000015720180 568976209 /nfs/dbraw/zinc/97/62/09/568976209.db2.gz BPWAXYKOLCGZRN-UHFFFAOYSA-N 0 0 416.549 5.679 50 5 HKBARN Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000015723373 558749847 /nfs/dbraw/zinc/74/98/47/558749847.db2.gz HKIWMYACLMTZAN-CCEZHUSRSA-N 0 0 422.444 5.254 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000015723535 558749852 /nfs/dbraw/zinc/74/98/52/558749852.db2.gz YLPLRBFZMPIWPN-JXMROGBWSA-N 0 0 419.824 5.708 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000015723708 558749924 /nfs/dbraw/zinc/74/99/24/558749924.db2.gz UVKXZZDWNFNTGO-DHZHZOJOSA-N 0 0 403.369 5.194 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1cccc2ccccc21 ZINC000015746662 568986364 /nfs/dbraw/zinc/98/63/64/568986364.db2.gz JDORKPFRVXBXTN-WUKNDPDISA-N 0 0 419.440 5.618 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cccc2ccccc21 ZINC000015767951 568996094 /nfs/dbraw/zinc/99/60/94/568996094.db2.gz GWAHSQLLXGAAIB-SAPNQHFASA-N 0 0 419.440 5.618 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1cccc2ccccc21 ZINC000015768229 568996064 /nfs/dbraw/zinc/99/60/64/568996064.db2.gz ANVKDODRJSCBTB-FOCLMDBBSA-N 0 0 419.440 5.618 50 5 HKBARN Cc1ccc([C@@H](C)Nc2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])cc1 ZINC000015833846 569012753 /nfs/dbraw/zinc/01/27/53/569012753.db2.gz AGSSQJSVUVEWOL-OAHLLOKOSA-N 0 0 401.426 5.188 50 5 HKBARN Cc1ccc([C@H](C)Nc2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])cc1 ZINC000015833849 569012742 /nfs/dbraw/zinc/01/27/42/569012742.db2.gz AGSSQJSVUVEWOL-HNNXBMFYSA-N 0 0 401.426 5.188 50 5 HKBARN CC[C@@H](Nc1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-])c1ccccc1 ZINC000015833876 569012749 /nfs/dbraw/zinc/01/27/49/569012749.db2.gz VNNIPSRQBBCDJQ-GOSISDBHSA-N 0 0 401.426 5.270 50 5 HKBARN CC[C@H](Nc1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-])c1ccccc1 ZINC000015833878 569012765 /nfs/dbraw/zinc/01/27/65/569012765.db2.gz VNNIPSRQBBCDJQ-SFHVURJKSA-N 0 0 401.426 5.270 50 5 HKBARN Cc1ccc([C@@H](C)Nc2ccc(-c3nc(-c4ccccn4)no3)cc2[N+](=O)[O-])cc1 ZINC000015833893 569012778 /nfs/dbraw/zinc/01/27/78/569012778.db2.gz SYHAPHIXVXFOBA-OAHLLOKOSA-N 0 0 401.426 5.188 50 5 HKBARN Cc1ccc([C@H](C)Nc2ccc(-c3nc(-c4ccccn4)no3)cc2[N+](=O)[O-])cc1 ZINC000015833896 569012754 /nfs/dbraw/zinc/01/27/54/569012754.db2.gz SYHAPHIXVXFOBA-HNNXBMFYSA-N 0 0 401.426 5.188 50 5 HKBARN Cc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000015838177 569013635 /nfs/dbraw/zinc/01/36/35/569013635.db2.gz DNFHTUOXCWPTRG-UHFFFAOYSA-N 0 0 424.460 5.588 50 5 HKBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000015856473 569014096 /nfs/dbraw/zinc/01/40/96/569014096.db2.gz BHTQVPILAMOJRO-YBFXNURJSA-N 0 0 422.487 5.656 50 5 HKBARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)c2O1 ZINC000015881143 569018351 /nfs/dbraw/zinc/01/83/51/569018351.db2.gz PYDYVOTYVODEKM-UHFFFAOYSA-N 0 0 418.449 5.140 50 5 HKBARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)c2O1 ZINC000015881144 569018339 /nfs/dbraw/zinc/01/83/39/569018339.db2.gz NVSSJCPDWMPDJI-UHFFFAOYSA-N 0 0 418.449 5.140 50 5 HKBARN O=[N+]([O-])c1ccc2nc(SCCOc3ccc(Br)cc3)sc2c1 ZINC000015911705 569020705 /nfs/dbraw/zinc/02/07/05/569020705.db2.gz JRAXQULULZDTKO-UHFFFAOYSA-N 0 0 411.302 5.138 50 5 HKBARN Cc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[C@@H](C)C5)o2)c([N+](=O)[O-])c1 ZINC000015947771 569024488 /nfs/dbraw/zinc/02/44/88/569024488.db2.gz ZCQJNRBEZCADDU-ODXCJYRJSA-N 0 0 423.494 5.778 50 5 HKBARN Cc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[C@H](C)C5)o2)c([N+](=O)[O-])c1 ZINC000015947772 558763727 /nfs/dbraw/zinc/76/37/27/558763727.db2.gz ZCQJNRBEZCADDU-YUNKPMOVSA-N 0 0 423.494 5.778 50 5 HKBARN Cc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[C@@H](C)C5)o2)c([N+](=O)[O-])c1 ZINC000015947774 569024480 /nfs/dbraw/zinc/02/44/80/569024480.db2.gz ZCQJNRBEZCADDU-MPBGBICISA-N 0 0 423.494 5.778 50 5 HKBARN Cc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[C@H](C)C5)o2)c([N+](=O)[O-])c1 ZINC000015947776 569024481 /nfs/dbraw/zinc/02/44/81/569024481.db2.gz ZCQJNRBEZCADDU-FKIZINRSSA-N 0 0 423.494 5.778 50 5 HKBARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000016014173 569025610 /nfs/dbraw/zinc/02/56/10/569025610.db2.gz HIHBIBAMMCFBMB-UHFFFAOYSA-N 0 0 423.881 5.701 50 5 HKBARN C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016046523 569028169 /nfs/dbraw/zinc/02/81/69/569028169.db2.gz LDQODGHWONLKNO-LLVKDONJSA-N 0 0 419.915 5.491 50 5 HKBARN C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000016046524 569028077 /nfs/dbraw/zinc/02/80/77/569028077.db2.gz LDQODGHWONLKNO-NSHDSACASA-N 0 0 419.915 5.491 50 5 HKBARN O=C1S/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000016156589 558774106 /nfs/dbraw/zinc/77/41/06/558774106.db2.gz LXYKIJASKYWWOO-OVCLIPMQSA-N 0 0 409.250 5.138 50 5 HKBARN O=C(Oc1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000016185312 558776180 /nfs/dbraw/zinc/77/61/80/558776180.db2.gz GHAQGIDTMLWUBO-UHFFFAOYSA-N 0 0 414.757 5.168 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000016193461 569029700 /nfs/dbraw/zinc/02/97/00/569029700.db2.gz SBALVROVXCEBIK-NYVOZVTQSA-N 0 0 410.395 6.085 50 5 HKBARN COc1ccc(Br)cc1-c1nc(COc2cccc([N+](=O)[O-])c2)cs1 ZINC000016209385 569029911 /nfs/dbraw/zinc/02/99/11/569029911.db2.gz CAVZOWWEPLDVIN-UHFFFAOYSA-N 0 0 421.272 5.068 50 5 HKBARN Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000016225244 132463659 /nfs/dbraw/zinc/46/36/59/132463659.db2.gz KFEUXCVCAYVJGA-UTKZUKDTSA-N 0 0 422.506 5.023 50 5 HKBARN Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000016225246 569029951 /nfs/dbraw/zinc/02/99/51/569029951.db2.gz KFEUXCVCAYVJGA-UWJYYQICSA-N 0 0 422.506 5.023 50 5 HKBARN Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000016225248 569029946 /nfs/dbraw/zinc/02/99/46/569029946.db2.gz KFEUXCVCAYVJGA-DYESRHJHSA-N 0 0 422.506 5.023 50 5 HKBARN Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](C)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000016225250 558779513 /nfs/dbraw/zinc/77/95/13/558779513.db2.gz KFEUXCVCAYVJGA-LAUBAEHRSA-N 0 0 422.506 5.023 50 5 HKBARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016227055 523232129 /nfs/dbraw/zinc/23/21/29/523232129.db2.gz ZRRFMTPCADNIEE-UHFFFAOYSA-N 0 0 405.435 5.132 50 5 HKBARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000016227072 569030000 /nfs/dbraw/zinc/03/00/00/569030000.db2.gz GOULDHCXVORHFS-UHFFFAOYSA-N 0 0 405.435 5.132 50 5 HKBARN Cc1noc(/C=C\c2ccc(OCc3ccccc3)c(Br)c2)c1[N+](=O)[O-] ZINC000016249575 569030328 /nfs/dbraw/zinc/03/03/28/569030328.db2.gz MMAJAMOSRYAOPE-NTMALXAHSA-N 0 0 415.243 5.403 50 5 HKBARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000016282614 569030394 /nfs/dbraw/zinc/03/03/94/569030394.db2.gz CTQUHAHFDXTNNS-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016282621 569030402 /nfs/dbraw/zinc/03/04/02/569030402.db2.gz MAOUUWRJGUJFPD-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000016282645 569030403 /nfs/dbraw/zinc/03/04/03/569030403.db2.gz BKIZZEKLBYPHKQ-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000016283172 558783576 /nfs/dbraw/zinc/78/35/76/558783576.db2.gz JOPNHRPLUKKATO-UHFFFAOYSA-N 0 0 419.462 5.441 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)oc2cc1C ZINC000016284207 569030408 /nfs/dbraw/zinc/03/04/08/569030408.db2.gz DVKWYNSYIPFQPI-UHFFFAOYSA-N 0 0 417.421 5.037 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)oc2cc1C ZINC000016284211 569030369 /nfs/dbraw/zinc/03/03/69/569030369.db2.gz KILKNXJEKZYLMZ-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000016284501 569030382 /nfs/dbraw/zinc/03/03/82/569030382.db2.gz PJRLFMLTBMLCMN-UHFFFAOYSA-N 0 0 423.432 5.043 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)n2Cc2ccccc2)c(Cl)c1 ZINC000016286199 569030381 /nfs/dbraw/zinc/03/03/81/569030381.db2.gz REDFRRORYQVINW-UHFFFAOYSA-N 0 0 422.897 5.706 50 5 HKBARN O=C(CCSc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Br)cc1 ZINC000016293888 569030425 /nfs/dbraw/zinc/03/04/25/569030425.db2.gz SQGKRNXDDCMQIG-UHFFFAOYSA-N 0 0 415.696 5.132 50 5 HKBARN O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000016297433 569030439 /nfs/dbraw/zinc/03/04/39/569030439.db2.gz DVVOTUXKOYRRNA-JWWGGVBKSA-N 0 0 417.509 5.448 50 5 HKBARN O=C(CCSc1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000016320141 569031339 /nfs/dbraw/zinc/03/13/39/569031339.db2.gz OAWNNYNTTSHGDM-UHFFFAOYSA-N 0 0 415.696 5.132 50 5 HKBARN COc1cc2c(cc1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC)oc1ccccc12 ZINC000016346311 569031609 /nfs/dbraw/zinc/03/16/09/569031609.db2.gz LOFABADIGRRIQD-UHFFFAOYSA-N 0 0 423.450 5.320 50 5 HKBARN CCCCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000016347133 569031636 /nfs/dbraw/zinc/03/16/36/569031636.db2.gz XOQDDMABAJJRLJ-UHFFFAOYSA-N 0 0 417.676 5.986 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1[N+](=O)[O-] ZINC000016347871 569031868 /nfs/dbraw/zinc/03/18/68/569031868.db2.gz SHSJVIOPKBEZSM-UHFFFAOYSA-N 0 0 403.463 5.741 50 5 HKBARN O=[N+]([O-])c1ccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000016361139 569032238 /nfs/dbraw/zinc/03/22/38/569032238.db2.gz VIWSJEOHCRZRFJ-UHFFFAOYSA-N 0 0 409.311 5.441 50 5 HKBARN Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000016361377 569032268 /nfs/dbraw/zinc/03/22/68/569032268.db2.gz MQHGIADHLMAERO-JLHYYAGUSA-N 0 0 417.852 5.426 50 5 HKBARN COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)c1OC ZINC000016362094 569032241 /nfs/dbraw/zinc/03/22/41/569032241.db2.gz PNBNHGJYKZFIDF-VJBMBRPKSA-N 0 0 402.450 5.083 50 5 HKBARN Cc1ccc(-n2c(=O)c3ccccc3nc2/C=C/c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000016383281 569040174 /nfs/dbraw/zinc/04/01/74/569040174.db2.gz YIHLNAJTFZHMFC-UKTHLTGXSA-N 0 0 417.852 5.426 50 5 HKBARN CCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)c([N+](=O)[O-])c1 ZINC000016391771 569040922 /nfs/dbraw/zinc/04/09/22/569040922.db2.gz KQHYIUMFQUDHRZ-UHFFFAOYSA-N 0 0 419.231 5.063 50 5 HKBARN Cc1ccccc1-c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])c2cc(Cl)ccc2n1 ZINC000016392227 569040836 /nfs/dbraw/zinc/04/08/36/569040836.db2.gz GPVDAFSNHDCFED-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2c1 ZINC000016392755 569040858 /nfs/dbraw/zinc/04/08/58/569040858.db2.gz KENZSQLWLDQTGA-UHFFFAOYSA-N 0 0 417.852 6.024 50 5 HKBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000016393488 559077087 /nfs/dbraw/zinc/07/70/87/559077087.db2.gz PISLNLWRVOTGLO-UHFFFAOYSA-N 0 0 418.909 5.420 50 5 HKBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)N1CCCc2ccccc21 ZINC000016399847 559077129 /nfs/dbraw/zinc/07/71/29/559077129.db2.gz HWNWNPWKYWZCOR-UHFFFAOYSA-N 0 0 424.529 5.107 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C1c2ccccc2Oc2ccccc21 ZINC000016400364 569041136 /nfs/dbraw/zinc/04/11/36/569041136.db2.gz RNCUFOXUYHBYFV-UHFFFAOYSA-N 0 0 414.339 5.490 50 5 HKBARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)c1ccccc1[N+](=O)[O-])CCCC2 ZINC000016400490 569041158 /nfs/dbraw/zinc/04/11/58/569041158.db2.gz MXXCIDSBAJKTSB-UHFFFAOYSA-N 0 0 421.478 5.040 50 5 HKBARN CCc1sc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Br ZINC000016400601 569041111 /nfs/dbraw/zinc/04/11/11/569041111.db2.gz LPNXJYVKGPPTRH-UHFFFAOYSA-N 0 0 423.210 5.252 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000016425720 569048204 /nfs/dbraw/zinc/04/82/04/569048204.db2.gz OGZCUPXYJXHLFA-UHFFFAOYSA-N 0 0 410.735 5.779 50 5 HKBARN COCCNc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-] ZINC000016448102 536895123 /nfs/dbraw/zinc/89/51/23/536895123.db2.gz KWHYMXPQASGVBI-UHFFFAOYSA-N 0 0 421.478 5.096 50 5 HKBARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000016448344 569051440 /nfs/dbraw/zinc/05/14/40/569051440.db2.gz MGSPNNIOCMVUPH-UHFFFAOYSA-N 0 0 424.265 5.286 50 5 HKBARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000016448908 569051381 /nfs/dbraw/zinc/05/13/81/569051381.db2.gz WFFOKMJIJCTCBD-UHFFFAOYSA-N 0 0 424.416 5.650 50 5 HKBARN COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OCc1c(F)cccc1Cl ZINC000016474660 569052617 /nfs/dbraw/zinc/05/26/17/569052617.db2.gz VCQLVNRRBJZKQU-CLFYSBASSA-N 0 0 418.808 5.442 50 5 HKBARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000016488571 569055849 /nfs/dbraw/zinc/05/58/49/569055849.db2.gz JHJHBFGPDBQERV-UHFFFAOYSA-N 0 0 423.881 5.701 50 5 HKBARN O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000016488750 569057337 /nfs/dbraw/zinc/05/73/37/569057337.db2.gz QQBXYQGFTDYMKI-NRFANRHFSA-N 0 0 422.282 5.713 50 5 HKBARN O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000016488754 569057326 /nfs/dbraw/zinc/05/73/26/569057326.db2.gz QQBXYQGFTDYMKI-OAQYLSRUSA-N 0 0 422.282 5.713 50 5 HKBARN O=C1S/C(=C\c2c3ccccc3cc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000016525753 558795298 /nfs/dbraw/zinc/79/52/98/558795298.db2.gz NOPGZUHOTDUYFU-HMAPJEAMSA-N 0 0 415.901 6.887 50 5 HKBARN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000016545491 569058580 /nfs/dbraw/zinc/05/85/80/569058580.db2.gz ZGXPQDFAVFQSNQ-UHFFFAOYSA-N 0 0 409.854 5.777 50 5 HKBARN Cc1ccc2oc3cc(NC4CCCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 ZINC000016663439 558798524 /nfs/dbraw/zinc/79/85/24/558798524.db2.gz AXDTZOFHGYVWJG-UHFFFAOYSA-N 0 0 424.500 5.994 50 5 HKBARN Clc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)c1 ZINC000016667918 558798516 /nfs/dbraw/zinc/79/85/16/558798516.db2.gz PVWIZDAHHFBSMC-SGEDCAFJSA-N 0 0 421.887 7.015 50 5 HKBARN Nc1c(-c2ccccc2[N+](=O)[O-])sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000016677204 569070117 /nfs/dbraw/zinc/07/01/17/569070117.db2.gz FQPHVXUFTHAISG-UHFFFAOYSA-N 0 0 423.497 6.788 50 5 HKBARN Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)ccc1[N+](=O)[O-] ZINC000016677428 569070073 /nfs/dbraw/zinc/07/00/73/569070073.db2.gz VPTWMPPIVFCLPZ-UNOMPAQXSA-N 0 0 406.419 5.404 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 ZINC000016677472 569070075 /nfs/dbraw/zinc/07/00/75/569070075.db2.gz ZAZOQKQZPZTKML-UNOMPAQXSA-N 0 0 406.419 5.404 50 5 HKBARN Cc1cccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2-c2cccc(C)c2)c1 ZINC000016711439 569261378 /nfs/dbraw/zinc/26/13/78/569261378.db2.gz HYEUMCWBYNLBJR-VHXPQNKSSA-N 0 0 401.491 5.963 50 5 HKBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000016713011 569261407 /nfs/dbraw/zinc/26/14/07/569261407.db2.gz IYXYTNNQGCQAFW-NVNXTCNLSA-N 0 0 406.872 5.156 50 5 HKBARN O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000016754272 569262322 /nfs/dbraw/zinc/26/23/22/569262322.db2.gz BYXXXGBLCZYQJW-NVNXTCNLSA-N 0 0 406.872 5.156 50 5 HKBARN COc1ccc([C@@H]2CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc1 ZINC000016953592 569268316 /nfs/dbraw/zinc/26/83/16/569268316.db2.gz SILBFNCYLJPXSX-QFIPXVFZSA-N 0 0 420.490 5.374 50 5 HKBARN COc1ccc([C@H]2CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc1 ZINC000016953594 569268317 /nfs/dbraw/zinc/26/83/17/569268317.db2.gz SILBFNCYLJPXSX-JOCHJYFZSA-N 0 0 420.490 5.374 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(Nc3ccc(Br)cc3)n2)cc1 ZINC000016972159 569269505 /nfs/dbraw/zinc/26/95/05/569269505.db2.gz QLXBPEIXBFSMOG-UHFFFAOYSA-N 0 0 421.254 5.711 50 5 HKBARN Cc1ccc(NC(=S)Nc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000017082070 569273073 /nfs/dbraw/zinc/27/30/73/569273073.db2.gz OIGYDLFFRXMFQV-UHFFFAOYSA-N 0 0 400.685 5.128 50 5 HKBARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cn3cc([N+](=O)[O-])cn3)n2)cc1C ZINC000017082200 569273077 /nfs/dbraw/zinc/27/30/77/569273077.db2.gz XIWXDDNVWBWRNH-UHFFFAOYSA-N 0 0 401.470 5.061 50 5 HKBARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000017085948 569273118 /nfs/dbraw/zinc/27/31/18/569273118.db2.gz JTNNQTDOTUBVOU-DIFFPNOSSA-N 0 0 419.934 5.315 50 5 HKBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000017085949 569273062 /nfs/dbraw/zinc/27/30/62/569273062.db2.gz JTNNQTDOTUBVOU-GTNSWQLSSA-N 0 0 419.934 5.315 50 5 HKBARN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000017085950 569272991 /nfs/dbraw/zinc/27/29/91/569272991.db2.gz JTNNQTDOTUBVOU-PIGZYNQJSA-N 0 0 419.934 5.315 50 5 HKBARN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000017085951 569273246 /nfs/dbraw/zinc/27/32/46/569273246.db2.gz JTNNQTDOTUBVOU-APPDUMDISA-N 0 0 419.934 5.315 50 5 HKBARN Cc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000017087791 569274175 /nfs/dbraw/zinc/27/41/75/569274175.db2.gz WXMNSHHSQVWKKZ-UHFFFAOYSA-N 0 0 407.861 5.098 50 5 HKBARN Cc1cccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3cccc(C)c3)c2Cl)c1 ZINC000017087792 569273449 /nfs/dbraw/zinc/27/34/49/569273449.db2.gz NOLKTLIZDIOEGR-UHFFFAOYSA-N 0 0 407.861 5.098 50 5 HKBARN Cc1ccc(C)c(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c3ccccc3n2)c1 ZINC000017088865 569274280 /nfs/dbraw/zinc/27/42/80/569274280.db2.gz YCGBYNYGLJXVRB-UHFFFAOYSA-N 0 0 411.461 5.988 50 5 HKBARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000017088914 569274216 /nfs/dbraw/zinc/27/42/16/569274216.db2.gz SDZAKVHYKMUUNV-UHFFFAOYSA-N 0 0 411.505 6.407 50 5 HKBARN Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000017088928 569274048 /nfs/dbraw/zinc/27/40/48/569274048.db2.gz BGPITOZCANBNIV-UHFFFAOYSA-N 0 0 411.505 6.407 50 5 HKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1sc2cc(Br)ccc2c1Cl ZINC000017089034 569274076 /nfs/dbraw/zinc/27/40/76/569274076.db2.gz ASCAQWYPVLZJDK-UHFFFAOYSA-N 0 0 411.664 5.478 50 5 HKBARN Cc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000017091250 569274278 /nfs/dbraw/zinc/27/42/78/569274278.db2.gz ROSXWZTVPUZXDQ-UHFFFAOYSA-N 0 0 417.896 6.444 50 5 HKBARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000017091752 569273886 /nfs/dbraw/zinc/27/38/86/569273886.db2.gz SWIDDSUUKFRSOR-UHFFFAOYSA-N 0 0 419.268 5.016 50 5 HKBARN O=C(c1cccc([N+](=O)[O-])c1)n1cnc2ccc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000017091811 569274058 /nfs/dbraw/zinc/27/40/58/569274058.db2.gz QKXPRVCVEXRWRH-UHFFFAOYSA-N 0 0 419.440 5.967 50 5 HKBARN CCc1c(C)sc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1C(=O)OC ZINC000017092235 558820706 /nfs/dbraw/zinc/82/07/06/558820706.db2.gz JJJUKYZMCYCSIK-UHFFFAOYSA-N 0 0 420.490 5.037 50 5 HKBARN Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000017093714 569274861 /nfs/dbraw/zinc/27/48/61/569274861.db2.gz ONXCBDLNSXZYDP-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000017093719 569273597 /nfs/dbraw/zinc/27/35/97/569273597.db2.gz JOWGRCIBJAPDKK-UHFFFAOYSA-N 0 0 423.881 6.086 50 5 HKBARN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(Cl)cc1Cl ZINC000017147374 569275422 /nfs/dbraw/zinc/27/54/22/569275422.db2.gz HSXQXYMMZRFKOF-UHFFFAOYSA-N 0 0 410.242 5.064 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Nc3ccc(Cl)cc3Cl)n2)c1 ZINC000017147806 558824211 /nfs/dbraw/zinc/82/42/11/558824211.db2.gz NHEDFLIILLAOSO-UHFFFAOYSA-N 0 0 411.248 6.255 50 5 HKBARN COc1ccc(-c2nc3c(c4ccccc4c4ccccc34)n2Cc2ccccc2)cc1 ZINC000017150028 569275697 /nfs/dbraw/zinc/27/56/97/569275697.db2.gz ZJFHDUDWBDEBGN-UHFFFAOYSA-N 0 0 414.508 7.067 50 5 HKBARN Clc1cccc(-c2nc3c(c4ccccc4c4ccccc34)n2Cc2ccccc2)c1 ZINC000017150031 558824299 /nfs/dbraw/zinc/82/42/99/558824299.db2.gz TWWLBJIZIOWNMJ-UHFFFAOYSA-N 0 0 418.927 7.711 50 5 HKBARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000017170488 569276256 /nfs/dbraw/zinc/27/62/56/569276256.db2.gz AHBUULGWLPNXJU-UHFFFAOYSA-N 0 0 421.912 5.900 50 5 HKBARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000017170948 569276250 /nfs/dbraw/zinc/27/62/50/569276250.db2.gz FUADWPTYTXLTOH-UHFFFAOYSA-N 0 0 421.261 5.446 50 5 HKBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)Nc1ccc(Cl)cc1Cl ZINC000017179741 558824982 /nfs/dbraw/zinc/82/49/82/558824982.db2.gz SBQFNLMGLOGNBW-UHFFFAOYSA-N 0 0 410.242 5.064 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H](O)Cn2c(-c3ccccc3)cs/c2=N/c2ccccc2)cc1 ZINC000017192217 569276454 /nfs/dbraw/zinc/27/64/54/569276454.db2.gz LIEFKALAPHUTRD-KXZZPGAFSA-N 0 0 417.490 5.091 50 5 HKBARN O=[N+]([O-])c1ccc([C@H](O)Cn2c(-c3ccccc3)cs/c2=N/c2ccccc2)cc1 ZINC000017192223 569276420 /nfs/dbraw/zinc/27/64/20/569276420.db2.gz LIEFKALAPHUTRD-VNRABVQOSA-N 0 0 417.490 5.091 50 5 HKBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1sc2ccccc2c1Cl ZINC000017200783 560704336 /nfs/dbraw/zinc/70/43/36/560704336.db2.gz NVNLRPXMJNMUSZ-UHFFFAOYSA-N 0 0 421.912 5.900 50 5 HKBARN Cc1ccc(-c2[nH]nc3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)C3=O)cc1 ZINC000017206435 560703838 /nfs/dbraw/zinc/70/38/38/560703838.db2.gz ZLHZWPLUEANMET-QHCPKHFHSA-N 0 0 410.433 5.043 50 5 HKBARN Cc1ccc(-c2[nH]nc3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)C3=O)cc1 ZINC000017206437 560703818 /nfs/dbraw/zinc/70/38/18/560703818.db2.gz ZLHZWPLUEANMET-HSZRJFAPSA-N 0 0 410.433 5.043 50 5 HKBARN Cc1[nH]nc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1-c1ccccc1 ZINC000017206909 569276652 /nfs/dbraw/zinc/27/66/52/569276652.db2.gz HBJFXNUIKFWKLI-UHFFFAOYSA-N 0 0 401.422 5.245 50 5 HKBARN Cc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1C ZINC000017242860 558826285 /nfs/dbraw/zinc/82/62/85/558826285.db2.gz DQOOFZAIRZCZOI-ZIADKAODSA-N 0 0 415.496 6.979 50 5 HKBARN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C3=O)cc1 ZINC000017247934 560704816 /nfs/dbraw/zinc/70/48/16/560704816.db2.gz NEOCJVVSGYFUIB-QHCPKHFHSA-N 0 0 410.433 5.043 50 5 HKBARN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C3=O)cc1 ZINC000017247936 560704790 /nfs/dbraw/zinc/70/47/90/560704790.db2.gz NEOCJVVSGYFUIB-HSZRJFAPSA-N 0 0 410.433 5.043 50 5 HKBARN Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)C3=O)cc1 ZINC000017248091 560704934 /nfs/dbraw/zinc/70/49/34/560704934.db2.gz UXWCEHZUQQWSKU-QHCPKHFHSA-N 0 0 410.433 5.043 50 5 HKBARN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)C3=O)cc1 ZINC000017248096 560704947 /nfs/dbraw/zinc/70/49/47/560704947.db2.gz UXWCEHZUQQWSKU-HSZRJFAPSA-N 0 0 410.433 5.043 50 5 HKBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000017265235 569277358 /nfs/dbraw/zinc/27/73/58/569277358.db2.gz VZRKBVLWEDBLTH-GGAORHGYSA-N 0 0 419.868 5.665 50 5 HKBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000017265240 569277293 /nfs/dbraw/zinc/27/72/93/569277293.db2.gz VZRKBVLWEDBLTH-FYYLOGMGSA-N 0 0 419.868 5.665 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)o1 ZINC000017919789 569380505 /nfs/dbraw/zinc/38/05/05/569380505.db2.gz HZBGAWFJGGUAGE-UHFFFAOYSA-N 0 0 421.478 5.397 50 5 HKBARN O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000017953199 569381042 /nfs/dbraw/zinc/38/10/42/569381042.db2.gz DVVOTUXKOYRRNA-BTYSMDAFSA-N 0 0 417.509 5.448 50 5 HKBARN O=c1cc(CSc2nnc(NCc3ccco3)s2)c2c(ccc3ccccc32)o1 ZINC000017983317 560732963 /nfs/dbraw/zinc/73/29/63/560732963.db2.gz RIPFKTLDAQCPGL-UHFFFAOYSA-N 0 0 421.503 5.295 50 5 HKBARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000018044968 560774368 /nfs/dbraw/zinc/77/43/68/560774368.db2.gz QGSYUUIMGQAMCQ-UHFFFAOYSA-N 0 0 420.406 5.032 50 5 HKBARN O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000018067728 132465842 /nfs/dbraw/zinc/46/58/42/132465842.db2.gz DVVOTUXKOYRRNA-DGQTTZFYSA-N 0 0 417.509 5.448 50 5 HKBARN O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@H]1CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000018087060 569383542 /nfs/dbraw/zinc/38/35/42/569383542.db2.gz DVVOTUXKOYRRNA-ALFLXDJESA-N 0 0 417.509 5.448 50 5 HKBARN O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Sc1nc2ccccc2o1 ZINC000018121830 569383727 /nfs/dbraw/zinc/38/37/27/569383727.db2.gz DWNVOPOAKKGRBY-UHFFFAOYSA-N 0 0 415.430 5.396 50 5 HKBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)o1 ZINC000018137691 560779663 /nfs/dbraw/zinc/77/96/63/560779663.db2.gz JSQJUVBVELPHDB-UHFFFAOYSA-N 0 0 407.451 5.007 50 5 HKBARN O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000018143826 569383726 /nfs/dbraw/zinc/38/37/26/569383726.db2.gz SXJQTJLPIXCEAP-UHFFFAOYSA-N 0 0 408.866 5.908 50 5 HKBARN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)cc2)c1 ZINC000018173153 560781422 /nfs/dbraw/zinc/78/14/22/560781422.db2.gz GILQAGXQUJAXHI-JLHYYAGUSA-N 0 0 417.852 5.941 50 5 HKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000018193032 560782160 /nfs/dbraw/zinc/78/21/60/560782160.db2.gz AHEZUKNPBHWGQP-NYYWCZLTSA-N 0 0 403.369 5.194 50 5 HKBARN COc1ccc2cc(CN(C)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc2c1 ZINC000018213011 560784793 /nfs/dbraw/zinc/78/47/93/560784793.db2.gz UFYVMPVBTRRDDW-UHFFFAOYSA-N 0 0 406.463 5.244 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000019159806 568865665 /nfs/dbraw/zinc/86/56/65/568865665.db2.gz AGNURLYGPUMRKE-UHFFFAOYSA-N 0 0 408.479 5.065 50 5 HKBARN O=[N+]([O-])c1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)ccc1Cl ZINC000019321205 569417393 /nfs/dbraw/zinc/41/73/93/569417393.db2.gz JJTXDIYYTPSEEC-UHFFFAOYSA-N 0 0 407.901 5.265 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1 ZINC000019323819 569417380 /nfs/dbraw/zinc/41/73/80/569417380.db2.gz KJAGJWMMZWESNQ-UHFFFAOYSA-N 0 0 407.901 5.265 50 5 HKBARN COc1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000019325855 569417557 /nfs/dbraw/zinc/41/75/57/569417557.db2.gz NZZCQYDHCGMHAY-UHFFFAOYSA-N 0 0 417.509 5.010 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019798537 527405824 /nfs/dbraw/zinc/40/58/24/527405824.db2.gz WETZNLGDQIQARW-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)cc1 ZINC000019800220 569430323 /nfs/dbraw/zinc/43/03/23/569430323.db2.gz ZKSBYIAJWVEICK-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)cc1 ZINC000019800222 569430380 /nfs/dbraw/zinc/43/03/80/569430380.db2.gz ZKSBYIAJWVEICK-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019800799 527378962 /nfs/dbraw/zinc/37/89/62/527378962.db2.gz RSLPEUCUWMNWHO-RBBKRZOGSA-N 0 0 423.831 5.630 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000019800800 569430348 /nfs/dbraw/zinc/43/03/48/569430348.db2.gz RSLPEUCUWMNWHO-IFMALSPDSA-N 0 0 423.831 5.630 50 5 HKBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2F)cc1 ZINC000019823023 558290819 /nfs/dbraw/zinc/29/08/19/558290819.db2.gz CZBXJNVOJDVLGT-UHFFFAOYSA-N 0 0 420.469 5.582 50 5 HKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1 ZINC000019823659 527353977 /nfs/dbraw/zinc/35/39/77/527353977.db2.gz TYKBRJNFKCYHMC-UHFFFAOYSA-N 0 0 423.885 5.183 50 5 HKBARN CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 ZINC000019824513 520834831 /nfs/dbraw/zinc/83/48/31/520834831.db2.gz CVUNAUXJMLFJLB-UHFFFAOYSA-N 0 0 422.466 5.127 50 5 HKBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 ZINC000019824697 525901240 /nfs/dbraw/zinc/90/12/40/525901240.db2.gz JMYCZGWWAVCPBJ-UHFFFAOYSA-N 0 0 408.508 5.505 50 5 HKBARN O=[N+]([O-])c1ccc(/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccncc2)cc1 ZINC000019833258 569430864 /nfs/dbraw/zinc/43/08/64/569430864.db2.gz GZJJSXGYQNIUEG-PXLXIMEGSA-N 0 0 413.389 5.747 50 5 HKBARN Cc1cc(Cl)cc(Br)c1OC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000019861675 524853516 /nfs/dbraw/zinc/85/35/16/524853516.db2.gz SDBTWBGRGMFAQM-UHFFFAOYSA-N 0 0 420.046 5.583 50 5 HKBARN CN(C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(C(F)(F)F)ccc1Cl ZINC000019861678 569357320 /nfs/dbraw/zinc/35/73/20/569357320.db2.gz HDEARPHEIWXTKY-UHFFFAOYSA-N 0 0 408.163 5.589 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000019861731 569431379 /nfs/dbraw/zinc/43/13/79/569431379.db2.gz YCSGGGIOGLJDON-JTHBVZDNSA-N 0 0 419.868 5.799 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000019861734 569431543 /nfs/dbraw/zinc/43/15/43/569431543.db2.gz YCSGGGIOGLJDON-FYYLOGMGSA-N 0 0 419.868 5.799 50 5 HKBARN Cc1noc(C[C@@H](CC(=O)c2ccc(F)cc2)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000019872743 569432295 /nfs/dbraw/zinc/43/22/95/569432295.db2.gz MJKRWKVOGJBWPN-CQSZACIVSA-N 0 0 402.809 5.283 50 5 HKBARN Cc1noc(C[C@H](CC(=O)c2ccc(F)cc2)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000019872745 526629535 /nfs/dbraw/zinc/62/95/35/526629535.db2.gz MJKRWKVOGJBWPN-AWEZNQCLSA-N 0 0 402.809 5.283 50 5 HKBARN Cc1noc(C[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c1[N+](=O)[O-] ZINC000019872768 569432245 /nfs/dbraw/zinc/43/22/45/569432245.db2.gz CQKFWAZPMFOOGH-LJQANCHMSA-N 0 0 406.482 5.788 50 5 HKBARN Cc1noc(C[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c1[N+](=O)[O-] ZINC000019872770 569432282 /nfs/dbraw/zinc/43/22/82/569432282.db2.gz CQKFWAZPMFOOGH-IBGZPJMESA-N 0 0 406.482 5.788 50 5 HKBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000019880699 569432946 /nfs/dbraw/zinc/43/29/46/569432946.db2.gz XBCGZJYUOFIDOY-GMAHTHKFSA-N 0 0 419.868 5.665 50 5 HKBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000019880701 569432954 /nfs/dbraw/zinc/43/29/54/569432954.db2.gz XBCGZJYUOFIDOY-JTHBVZDNSA-N 0 0 419.868 5.665 50 5 HKBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000019880704 569432945 /nfs/dbraw/zinc/43/29/45/569432945.db2.gz XBCGZJYUOFIDOY-GGAORHGYSA-N 0 0 419.868 5.665 50 5 HKBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000019880707 569433012 /nfs/dbraw/zinc/43/30/12/569433012.db2.gz XBCGZJYUOFIDOY-FYYLOGMGSA-N 0 0 419.868 5.665 50 5 HKBARN C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000019893610 569357437 /nfs/dbraw/zinc/35/74/37/569357437.db2.gz LCKNLLKAEGOINE-GMAHTHKFSA-N 0 0 419.868 5.665 50 5 HKBARN C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000019893612 569357415 /nfs/dbraw/zinc/35/74/15/569357415.db2.gz LCKNLLKAEGOINE-JTHBVZDNSA-N 0 0 419.868 5.665 50 5 HKBARN C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019893614 569357429 /nfs/dbraw/zinc/35/74/29/569357429.db2.gz LCKNLLKAEGOINE-GGAORHGYSA-N 0 0 419.868 5.665 50 5 HKBARN C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019893616 569357410 /nfs/dbraw/zinc/35/74/10/569357410.db2.gz LCKNLLKAEGOINE-FYYLOGMGSA-N 0 0 419.868 5.665 50 5 HKBARN O=[N+]([O-])c1cccc(C(c2c(O)ccc3ccccc32)c2c(O)ccc3ccccc32)c1 ZINC000019899175 568585481 /nfs/dbraw/zinc/58/54/81/568585481.db2.gz RVPIGGWFZMQISA-UHFFFAOYSA-N 0 0 421.452 6.493 50 5 HKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Cl)cc(Cc2ccccc2)c1O ZINC000019912135 568585446 /nfs/dbraw/zinc/58/54/46/568585446.db2.gz JNGIGVMRFQDUKL-UHFFFAOYSA-N 0 0 417.248 5.450 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000019912383 568585464 /nfs/dbraw/zinc/58/54/64/568585464.db2.gz DSARVHAOKOXGML-AHWVRZQESA-N 0 0 421.456 5.990 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000019912385 568585439 /nfs/dbraw/zinc/58/54/39/568585439.db2.gz DSARVHAOKOXGML-AZGAKELHSA-N 0 0 421.456 5.990 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000019912388 560872534 /nfs/dbraw/zinc/87/25/34/560872534.db2.gz DSARVHAOKOXGML-RSXGOPAZSA-N 0 0 421.456 5.990 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 ZINC000019912391 527379146 /nfs/dbraw/zinc/37/91/46/527379146.db2.gz DSARVHAOKOXGML-AOYPEHQESA-N 0 0 421.456 5.990 50 5 HKBARN CCOC(=O)c1cc2oc(-c3ccc(C)cc3)cc2n1Cc1ccccc1[N+](=O)[O-] ZINC000019928493 569357647 /nfs/dbraw/zinc/35/76/47/569357647.db2.gz XCDMIMQJRWADAH-UHFFFAOYSA-N 0 0 404.422 5.343 50 5 HKBARN Nc1nc2c(sc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c2ccccc12 ZINC000020010523 558319008 /nfs/dbraw/zinc/31/90/08/558319008.db2.gz UWWAVAOWRXJHRS-UHFFFAOYSA-N 0 0 403.510 6.914 50 5 HKBARN Cc1nn(-c2ccccc2)c(OC(=O)C2CCCC2)c1Sc1ccccc1[N+](=O)[O-] ZINC000020112106 568588984 /nfs/dbraw/zinc/58/89/84/568588984.db2.gz AOJJVRHSRRGCSZ-UHFFFAOYSA-N 0 0 423.494 5.336 50 5 HKBARN CC(C)c1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1 ZINC000020177652 568592595 /nfs/dbraw/zinc/59/25/95/568592595.db2.gz CEZKXZZBEFGDRM-UHFFFAOYSA-N 0 0 408.502 5.092 50 5 HKBARN COc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 ZINC000020183444 568593313 /nfs/dbraw/zinc/59/33/13/568593313.db2.gz UQWWCYTTZPQYPE-UHFFFAOYSA-N 0 0 424.460 5.774 50 5 HKBARN COc1cccc2c3c(cnc12)c(-c1ccc([N+](=O)[O-])cc1)nn3-c1ccc(C)c(C)c1 ZINC000020183450 524255796 /nfs/dbraw/zinc/25/57/96/524255796.db2.gz GDMSMUUJCHZCRE-UHFFFAOYSA-N 0 0 424.460 5.774 50 5 HKBARN Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc4c(cc32)OCO4)cc1 ZINC000020183499 525839059 /nfs/dbraw/zinc/83/90/59/525839059.db2.gz UAYSGIHXDQVELB-UHFFFAOYSA-N 0 0 424.416 5.186 50 5 HKBARN Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(F)c(F)cc32)cc1 ZINC000020183506 568593346 /nfs/dbraw/zinc/59/33/46/568593346.db2.gz PXEIZRQDTZDNMU-UHFFFAOYSA-N 0 0 416.387 5.736 50 5 HKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)c1 ZINC000020183515 527382816 /nfs/dbraw/zinc/38/28/16/527382816.db2.gz ULKSZAFQOSYQAY-UHFFFAOYSA-N 0 0 420.350 5.566 50 5 HKBARN CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000020183520 568593334 /nfs/dbraw/zinc/59/33/34/568593334.db2.gz WQIKFOPDDNMYIY-UHFFFAOYSA-N 0 0 424.460 5.856 50 5 HKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(Cl)cc4c32)c1 ZINC000020183522 568593194 /nfs/dbraw/zinc/59/31/94/568593194.db2.gz HEIJXNALANUMAW-UHFFFAOYSA-N 0 0 418.815 5.941 50 5 HKBARN COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000020183547 568593260 /nfs/dbraw/zinc/59/32/60/568593260.db2.gz AXALFMSTRGTUHR-UHFFFAOYSA-N 0 0 424.460 5.774 50 5 HKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccc(F)cc4c32)c1 ZINC000020183577 568593275 /nfs/dbraw/zinc/59/32/75/568593275.db2.gz PNXYJFZXDVSZIE-UHFFFAOYSA-N 0 0 418.815 5.941 50 5 HKBARN CCOc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(C)cc32)cc1 ZINC000020183614 568593180 /nfs/dbraw/zinc/59/31/80/568593180.db2.gz PFAVLRMVGIMZGW-UHFFFAOYSA-N 0 0 424.460 5.856 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286106 525471231 /nfs/dbraw/zinc/47/12/31/525471231.db2.gz SZFVWANCSPZGAE-UHFFFAOYSA-N 0 0 413.842 5.272 50 5 HKBARN Cc1c(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)cccc1[N+](=O)[O-] ZINC000020436414 525860867 /nfs/dbraw/zinc/86/08/67/525860867.db2.gz LFNNKROZUVFGJB-UHFFFAOYSA-N 0 0 416.911 6.143 50 5 HKBARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000020436718 568606756 /nfs/dbraw/zinc/60/67/56/568606756.db2.gz NPTJNJMBQHYAGK-UHFFFAOYSA-N 0 0 415.474 5.423 50 5 HKBARN CCc1ccc2c(c1)N=C(c1ccc([N+](=O)[O-])cc1)NC(c1ccc(Cl)cc1)=N2 ZINC000020447233 568608527 /nfs/dbraw/zinc/60/85/27/568608527.db2.gz XELMUIWSTNOFMW-UHFFFAOYSA-N 0 0 404.857 5.761 50 5 HKBARN CCc1ccc2c(c1)N=C(c1ccc([N+](=O)[O-])cc1)NC(c1ccc(OC)cc1)=N2 ZINC000020447236 568608572 /nfs/dbraw/zinc/60/85/72/568608572.db2.gz YUDWVPLGVQZVKL-UHFFFAOYSA-N 0 0 400.438 5.116 50 5 HKBARN O=[N+]([O-])c1ccccc1Cc1nc2ccccc2nc1-c1ccc(Br)cc1 ZINC000020495173 568615844 /nfs/dbraw/zinc/61/58/44/568615844.db2.gz QGPHTIIRBFPKPJ-UHFFFAOYSA-N 0 0 420.266 5.558 50 5 HKBARN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c3n2CCCCC3)cc1 ZINC000020510119 525802716 /nfs/dbraw/zinc/80/27/16/525802716.db2.gz GDSTVODKWOPGCX-UHFFFAOYSA-N 0 0 404.470 5.054 50 5 HKBARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000020515795 526601730 /nfs/dbraw/zinc/60/17/30/526601730.db2.gz KLNJQTACLFVJEZ-UHFFFAOYSA-N 0 0 420.519 5.776 50 5 HKBARN CC1(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])COC(c2ccc(Cl)cc2)OC1 ZINC000020568407 520771541 /nfs/dbraw/zinc/77/15/41/520771541.db2.gz WUAHGVUFQWFPHW-UHFFFAOYSA-N 0 0 416.783 5.183 50 5 HKBARN Cc1c(N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000020602821 525876906 /nfs/dbraw/zinc/87/69/06/525876906.db2.gz RHPVVBBDUBTWNB-FQEVSTJZSA-N 0 0 404.401 5.294 50 5 HKBARN Cc1c(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000020602823 525873958 /nfs/dbraw/zinc/87/39/58/525873958.db2.gz RHPVVBBDUBTWNB-HXUWFJFHSA-N 0 0 404.401 5.294 50 5 HKBARN CCc1cc(C(=O)Nc2cc(Oc3ccc4c(c3)CCC4)cc([N+](=O)[O-])c2)cs1 ZINC000020607223 568635791 /nfs/dbraw/zinc/63/57/91/568635791.db2.gz VECMUSVWDBHLQF-UHFFFAOYSA-N 0 0 408.479 5.752 50 5 HKBARN CCCCNc1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3[nH]c(=O)c2s1 ZINC000020607328 558388253 /nfs/dbraw/zinc/38/82/53/558388253.db2.gz RRQYLYYKJNSTSQ-UHFFFAOYSA-N 0 0 412.462 5.287 50 5 HKBARN CCCCNc1nc2c3sc4nc(C(F)F)cc(C5CC5)c4c3[nH]c(=O)c2s1 ZINC000020607478 558388487 /nfs/dbraw/zinc/38/84/87/558388487.db2.gz RNLNPAFMSMCJFX-UHFFFAOYSA-N 0 0 420.510 5.775 50 5 HKBARN CCCNc1nc2c3sc4nc(C(F)F)cc(C5CC5)c4c3[nH]c(=O)c2s1 ZINC000020607479 558388481 /nfs/dbraw/zinc/38/84/81/558388481.db2.gz AUMLSVUDWCJQSF-UHFFFAOYSA-N 0 0 406.483 5.384 50 5 HKBARN Cc1cc(C(F)(F)F)nc2sc3c4nc(NCC(C)C)sc4c(=O)[nH]c3c21 ZINC000020607629 558388460 /nfs/dbraw/zinc/38/84/60/558388460.db2.gz CFURQWYTLUDQLU-UHFFFAOYSA-N 0 0 412.462 5.143 50 5 HKBARN O=c1[nH]c2c(sc3nc(C(F)F)cc(C4CC4)c32)c2nc(NC3CC3)sc21 ZINC000020607630 558388448 /nfs/dbraw/zinc/38/84/48/558388448.db2.gz NDWPVNUXSRKJDE-UHFFFAOYSA-N 0 0 404.467 5.137 50 5 HKBARN O=c1oc2c(ccc3c2CN(Cc2cccc(C(F)(F)F)c2)CO3)c2ccccc12 ZINC000020609937 568636876 /nfs/dbraw/zinc/63/68/76/568636876.db2.gz HGBNLYNPBIFFGK-UHFFFAOYSA-N 0 0 411.379 5.317 50 5 biogenic HKBARN O=c1oc2c(ccc3c2CN(Cc2ccc(Cl)cc2Cl)CO3)c2ccccc12 ZINC000020610106 568636838 /nfs/dbraw/zinc/63/68/38/568636838.db2.gz IOIIXBXCTRWUBN-UHFFFAOYSA-N 0 0 412.272 5.605 50 5 biogenic HKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(CCc1ccc(Cl)cc1)CO2 ZINC000020610328 568636632 /nfs/dbraw/zinc/63/66/32/568636632.db2.gz MNUAGYRKAWCJDR-UHFFFAOYSA-N 0 0 405.881 5.303 50 5 biogenic HKBARN O=c1oc2c(ccc3c2CN(Cc2ccc(Cl)c(Cl)c2)CO3)c2ccccc12 ZINC000020610404 568637097 /nfs/dbraw/zinc/63/70/97/568637097.db2.gz PWFJTLINXWWQCZ-UHFFFAOYSA-N 0 0 412.272 5.605 50 5 biogenic HKBARN Cc1cc(Cl)ccc1-n1c(=O)c2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1 ZINC000020662505 568639350 /nfs/dbraw/zinc/63/93/50/568639350.db2.gz ZDACYMZRTIBPAZ-FMIVXFBMSA-N 0 0 417.852 5.426 50 5 HKBARN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1 ZINC000020662507 568639189 /nfs/dbraw/zinc/63/91/89/568639189.db2.gz HMMCMWBWYLBUQB-OUKQBFOZSA-N 0 0 417.852 5.426 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1Cl ZINC000020662517 568639281 /nfs/dbraw/zinc/63/92/81/568639281.db2.gz KZYBIEYZUUXJEJ-DHZHZOJOSA-N 0 0 421.815 5.257 50 5 HKBARN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000020662524 568639235 /nfs/dbraw/zinc/63/92/35/568639235.db2.gz UYGLOPDTOAIFDW-SDNWHVSQSA-N 0 0 417.852 5.426 50 5 HKBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1Cl ZINC000020662532 568639343 /nfs/dbraw/zinc/63/93/43/568639343.db2.gz OJNAOOFJYLJQTK-KPKJPENVSA-N 0 0 421.815 5.257 50 5 HKBARN O=c1c2ccccc2nc(/C=C\c2ccc(F)cc2)n1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000020662615 568639536 /nfs/dbraw/zinc/63/95/36/568639536.db2.gz ZGCRHZTXNRIFRX-GHXNOFRVSA-N 0 0 421.815 5.257 50 5 HKBARN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])C1 ZINC000020664597 132470671 /nfs/dbraw/zinc/47/06/71/132470671.db2.gz VYOSKJYQGVGCMA-CYBMUJFWSA-N 0 0 422.312 5.068 50 5 HKBARN C[C@H]1CCCN(c2ccc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])C1 ZINC000020664599 568639578 /nfs/dbraw/zinc/63/95/78/568639578.db2.gz VYOSKJYQGVGCMA-ZDUSSCGKSA-N 0 0 422.312 5.068 50 5 HKBARN CC(C)c1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 ZINC000020664704 568639515 /nfs/dbraw/zinc/63/95/15/568639515.db2.gz FSMOLJJJRAUUCF-UHFFFAOYSA-N 0 0 423.900 6.236 50 5 HKBARN CC(C)c1ccc(NC(=O)c2ccc(N[C@@H]3CCC[C@@H](C)[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000020664706 568639595 /nfs/dbraw/zinc/63/95/95/568639595.db2.gz OREOZBCZACSTLS-LLGFUMIMSA-N 0 0 409.530 6.207 50 5 HKBARN CC(C)c1ccc(NC(=O)c2ccc(N[C@@H]3CCC[C@H](C)[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000020664710 568639510 /nfs/dbraw/zinc/63/95/10/568639510.db2.gz OREOZBCZACSTLS-XGHQBKJUSA-N 0 0 409.530 6.207 50 5 HKBARN Cc1ccc(-c2nnc(Sc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000020667496 568639335 /nfs/dbraw/zinc/63/93/35/568639335.db2.gz AQLRSNBIHPHZTQ-UHFFFAOYSA-N 0 0 415.780 5.777 50 5 HKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020806676 558416229 /nfs/dbraw/zinc/41/62/29/558416229.db2.gz RSYKZMRQRFSDIO-UHFFFAOYSA-N 0 0 410.395 5.121 50 5 HKBARN COc1ccccc1CNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] ZINC000020897704 568649424 /nfs/dbraw/zinc/64/94/24/568649424.db2.gz XRXIITMJOXWNFS-UHFFFAOYSA-N 0 0 416.437 5.241 50 5 HKBARN COc1ccccc1-c1noc(-c2ccc(NCc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC000020897721 568649426 /nfs/dbraw/zinc/64/94/26/568649426.db2.gz QTOWOIAXMCAMPD-UHFFFAOYSA-N 0 0 416.437 5.241 50 5 HKBARN COc1ccc(-c2noc(-c3ccc(NCc4ccc(C)cc4)c([N+](=O)[O-])c3)n2)cc1 ZINC000020897763 568649321 /nfs/dbraw/zinc/64/93/21/568649321.db2.gz UHGDMVFZNPOMKD-UHFFFAOYSA-N 0 0 416.437 5.241 50 5 HKBARN Cc1c(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000020988679 568655227 /nfs/dbraw/zinc/65/52/27/568655227.db2.gz GYFQTOVHZOIWSM-HXUWFJFHSA-N 0 0 404.401 5.294 50 5 HKBARN Cc1c(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000020988682 568655428 /nfs/dbraw/zinc/65/54/28/568655428.db2.gz GYFQTOVHZOIWSM-FQEVSTJZSA-N 0 0 404.401 5.294 50 5 HKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(F)cc4c32)c1 ZINC000021017419 568657977 /nfs/dbraw/zinc/65/79/77/568657977.db2.gz BRHKDFRJZIIDHS-UHFFFAOYSA-N 0 0 402.360 5.427 50 5 HKBARN CC(=O)N1N=C(c2ccc(Cl)c([N+](=O)[O-])c2)O[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000021091848 568664223 /nfs/dbraw/zinc/66/42/23/568664223.db2.gz FALDUEXQXYSSJX-JOCHJYFZSA-N 0 0 421.840 5.154 50 5 HKBARN CC(=O)N1N=C(c2ccc(Cl)c([N+](=O)[O-])c2)O[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000021091852 568664238 /nfs/dbraw/zinc/66/42/38/568664238.db2.gz FALDUEXQXYSSJX-QFIPXVFZSA-N 0 0 421.840 5.154 50 5 HKBARN CC(=O)N1N=C(c2c3ccccc3cc3ccccc32)O[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021092095 568664275 /nfs/dbraw/zinc/66/42/75/568664275.db2.gz HNPZVYPPHOXFHR-XMMPIXPASA-N 0 0 411.417 5.140 50 5 HKBARN CC(=O)N1N=C(c2c3ccccc3cc3ccccc32)O[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021092099 568664308 /nfs/dbraw/zinc/66/43/08/568664308.db2.gz HNPZVYPPHOXFHR-DEOSSOPVSA-N 0 0 411.417 5.140 50 5 HKBARN CC(C)c1ccc(C=C(Cl)c2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1[N+](=O)[O-] ZINC000021190622 568679093 /nfs/dbraw/zinc/67/90/93/568679093.db2.gz PJJZWZRPQJYJRU-ZSOIEALJSA-N 0 0 415.902 5.242 50 5 HKBARN O=c1nc(C(Cl)=Cc2ccc([N+](=O)[O-])cc2)[nH]c2scc(-c3cccs3)c21 ZINC000021190990 571315037 /nfs/dbraw/zinc/31/50/37/571315037.db2.gz VMHSKCXNOWOTBJ-JYRVWZFOSA-N 0 0 415.883 5.358 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000021364532 568690540 /nfs/dbraw/zinc/69/05/40/568690540.db2.gz NASQIIAQLRKMIP-UHFFFAOYSA-N 0 0 407.209 5.423 50 5 HKBARN O=C(COc1ccc(Cl)cc1Cl)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000021487085 568704051 /nfs/dbraw/zinc/70/40/51/568704051.db2.gz STMWQBMEDXHGPZ-UHFFFAOYSA-N 0 0 410.040 5.226 50 5 HKBARN O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000021540926 568713782 /nfs/dbraw/zinc/71/37/82/568713782.db2.gz VLPKFXFJEBBLBB-UHFFFAOYSA-N 0 0 407.901 5.160 50 5 HKBARN Cc1nc(SCc2cc(=O)oc3ccc4ccccc4c23)n(C[C@@H]2CCCO2)c1C ZINC000021568633 558441624 /nfs/dbraw/zinc/44/16/24/558441624.db2.gz VWGOEASJBHYOLA-IBGZPJMESA-N 0 0 420.534 5.231 50 5 HKBARN Cc1nc(SCc2cc(=O)oc3ccc4ccccc4c23)n(C[C@H]2CCCO2)c1C ZINC000021568635 558441632 /nfs/dbraw/zinc/44/16/32/558441632.db2.gz VWGOEASJBHYOLA-LJQANCHMSA-N 0 0 420.534 5.231 50 5 HKBARN COc1ccccc1-c1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)o1 ZINC000021750445 558447674 /nfs/dbraw/zinc/44/76/74/558447674.db2.gz VDCALYLDSBJRKB-UHFFFAOYSA-N 0 0 416.458 5.297 50 5 HKBARN O=C(OCc1nc2ccccc2c2ccccc12)c1csc(-c2ccsc2)n1 ZINC000021761859 568467971 /nfs/dbraw/zinc/46/79/71/568467971.db2.gz SNLRRIWNVHFOPR-UHFFFAOYSA-N 0 0 402.500 5.930 50 5 HKBARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000022027521 568473224 /nfs/dbraw/zinc/47/32/24/568473224.db2.gz FXKSTPWYLLKAGJ-KRWDZBQOSA-N 0 0 418.236 5.055 50 5 HKBARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000022027523 558984995 /nfs/dbraw/zinc/98/49/95/558984995.db2.gz FXKSTPWYLLKAGJ-QGZVFWFLSA-N 0 0 418.236 5.055 50 5 HKBARN Cc1c(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cccc1[N+](=O)[O-] ZINC000022087711 568764777 /nfs/dbraw/zinc/76/47/77/568764777.db2.gz XYVQSQQRMFPNCQ-UHFFFAOYSA-N 0 0 421.400 5.222 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)o1 ZINC000022135304 558994593 /nfs/dbraw/zinc/99/45/93/558994593.db2.gz JZHJIXWHCGUGDC-UHFFFAOYSA-N 0 0 407.451 5.007 50 5 HKBARN O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(Cl)ccc1Cl ZINC000022228567 568765508 /nfs/dbraw/zinc/76/55/08/568765508.db2.gz LQOQYOSYZNXSGY-YFHOEESVSA-N 0 0 403.221 5.814 50 5 HKBARN CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000022311837 568766204 /nfs/dbraw/zinc/76/62/04/568766204.db2.gz JVPGPGYZNRYKNT-UHFFFAOYSA-N 0 0 423.391 5.122 50 5 HKBARN O=C1c2ccccc2-c2cc3nc4c5cccc6cccc(c(=O)n4c3c3cccc1c32)c65 ZINC000022636344 558503733 /nfs/dbraw/zinc/50/37/33/558503733.db2.gz LQGWVBUSGGTHFO-UHFFFAOYSA-N 0 0 422.443 5.957 50 5 HKBARN O=[N+]([O-])c1cc(Cl)ccc1Oc1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000022804941 527334513 /nfs/dbraw/zinc/33/45/13/527334513.db2.gz ZRWSDLXMDHQJCI-UHFFFAOYSA-N 0 0 424.869 5.596 50 5 HKBARN Cc1cc2oc(=O)cc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c2cc1C(C)C ZINC000023042621 558992935 /nfs/dbraw/zinc/99/29/35/558992935.db2.gz FPDJWKVVFAGLMX-UHFFFAOYSA-N 0 0 414.889 5.418 50 5 HKBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2coc(-c3ccccc3)n2)cc1 ZINC000023077412 558999187 /nfs/dbraw/zinc/99/91/87/558999187.db2.gz WULKENDPHSLJEP-UHFFFAOYSA-N 0 0 402.406 5.504 50 5 HKBARN O=[N+]([O-])c1ccc(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)nc1 ZINC000023327938 559155230 /nfs/dbraw/zinc/15/52/30/559155230.db2.gz MDRZKAARHZXOMG-UHFFFAOYSA-N 0 0 412.323 5.636 50 5 HKBARN COc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)n2)cc1 ZINC000023452703 559175833 /nfs/dbraw/zinc/17/58/33/559175833.db2.gz ZJJBSLSMEBVRCR-UHFFFAOYSA-N 0 0 415.405 5.178 50 5 HKBARN Cc1ccc(Cc2nc(CSc3nc4ccc([N+](=O)[O-])cc4s3)cs2)cc1 ZINC000023457094 559176218 /nfs/dbraw/zinc/17/62/18/559176218.db2.gz MHJVIZHRLKLFQF-UHFFFAOYSA-N 0 0 413.549 5.853 50 5 HKBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000024270230 559281571 /nfs/dbraw/zinc/28/15/71/559281571.db2.gz KSVKMERVVYOWBB-MRVPVSSYSA-N 0 0 423.174 5.326 50 5 HKBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000024270232 559281546 /nfs/dbraw/zinc/28/15/46/559281546.db2.gz KSVKMERVVYOWBB-QMMMGPOBSA-N 0 0 423.174 5.326 50 5 HKBARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000024503222 560841803 /nfs/dbraw/zinc/84/18/03/560841803.db2.gz RXVXSKDSCRUIIG-UHFFFAOYSA-N 0 0 407.373 5.298 50 5 HKBARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cs1 ZINC000024777952 568462534 /nfs/dbraw/zinc/46/25/34/568462534.db2.gz GQXUFBWUXISTMM-UHFFFAOYSA-N 0 0 403.460 5.043 50 5 HKBARN O=C(Nc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1)c1cccs1 ZINC000024828295 568467780 /nfs/dbraw/zinc/46/77/80/568467780.db2.gz ZWUJYDFIWNYQMM-UHFFFAOYSA-N 0 0 407.476 5.699 50 5 HKBARN Cc1cccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c1[N+](=O)[O-] ZINC000024829214 568469847 /nfs/dbraw/zinc/46/98/47/568469847.db2.gz WMABANHHPYJUEH-UHFFFAOYSA-N 0 0 422.293 5.510 50 5 HKBARN O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000024843083 568470739 /nfs/dbraw/zinc/47/07/39/568470739.db2.gz DPTIEUTVXNNLTG-UHFFFAOYSA-N 0 0 404.300 5.020 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CSc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000024865129 525463010 /nfs/dbraw/zinc/46/30/10/525463010.db2.gz VGHCGKOGAKOOOW-UHFFFAOYSA-N 0 0 417.490 5.748 50 5 HKBARN O=C1CCCN1Cc1ccc(-c2ccccc2CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000025062566 568741520 /nfs/dbraw/zinc/74/15/20/568741520.db2.gz FPQXBSLKUSLZQK-UHFFFAOYSA-N 0 0 419.456 5.135 50 5 HKBARN CC(C)c1nnc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)s1 ZINC000025323646 568763908 /nfs/dbraw/zinc/76/39/08/568763908.db2.gz RXYPYOZWMMBMLM-UHFFFAOYSA-N 0 0 418.862 5.268 50 5 HKBARN O=C(Nc1cc2nc3ccccc3nc2cc1NC(=O)c1ccccc1)c1ccccc1 ZINC000025560907 560878393 /nfs/dbraw/zinc/87/83/93/560878393.db2.gz RXMKCGJNHKTGSQ-UHFFFAOYSA-N 0 0 418.456 5.288 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)c1 ZINC000025572957 568822267 /nfs/dbraw/zinc/82/22/67/568822267.db2.gz MRHZZVFWTCWBFO-RBBKRZOGSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)c1 ZINC000025572963 568822364 /nfs/dbraw/zinc/82/23/64/568822364.db2.gz MRHZZVFWTCWBFO-IFMALSPDSA-N 0 0 405.841 5.491 50 5 HKBARN Cc1c(Cl)cccc1NC(=O)c1cc(=O)cc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000025574092 568822264 /nfs/dbraw/zinc/82/22/64/568822264.db2.gz WCRUTNCOIONTIY-UHFFFAOYSA-N 0 0 419.220 5.083 50 5 HKBARN O=C(c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c1ccc1ccccc12)c1ccccc1 ZINC000025581630 568822559 /nfs/dbraw/zinc/82/25/59/568822559.db2.gz KSHOLGDDYRVBPW-UHFFFAOYSA-N 0 0 420.424 5.463 50 5 HKBARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000025582928 568822521 /nfs/dbraw/zinc/82/25/21/568822521.db2.gz XPIBSSHOTNSFOU-ISKFKSNPSA-N 0 0 415.449 5.236 50 5 HKBARN CCOc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc([N+](=O)[O-])cc1)O2 ZINC000025582934 568822569 /nfs/dbraw/zinc/82/25/69/568822569.db2.gz GXUDIOOBPKWLQF-ISKFKSNPSA-N 0 0 415.449 5.236 50 5 HKBARN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(Br)c1 ZINC000025584520 568822524 /nfs/dbraw/zinc/82/25/24/568822524.db2.gz OAHUPMVNUZROEQ-CSKARUKUSA-N 0 0 413.227 5.269 50 5 HKBARN Cc1cc(OC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(Br)cc1Cl ZINC000025692231 568909127 /nfs/dbraw/zinc/90/91/27/568909127.db2.gz MSRZPGYBHQWSGF-UHFFFAOYSA-N 0 0 420.046 5.583 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1c(Cl)cc(Cl)c2ccccc21 ZINC000025693460 568909080 /nfs/dbraw/zinc/90/90/80/568909080.db2.gz QZTWBGXPEDIGMX-UHFFFAOYSA-N 0 0 411.628 6.319 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000025782532 568914963 /nfs/dbraw/zinc/91/49/63/568914963.db2.gz BJEXLVGXUTUTAB-NZQKXSOJSA-N 0 0 419.868 5.799 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000025782534 568914957 /nfs/dbraw/zinc/91/49/57/568914957.db2.gz BJEXLVGXUTUTAB-NFBKMPQASA-N 0 0 419.868 5.799 50 5 HKBARN O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)ccc1Cl ZINC000025782574 568914941 /nfs/dbraw/zinc/91/49/41/568914941.db2.gz WEEJHDVOOYVGAW-SIKLNZKXSA-N 0 0 423.831 5.630 50 5 HKBARN O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)ccc1Cl ZINC000025782576 568914969 /nfs/dbraw/zinc/91/49/69/568914969.db2.gz WEEJHDVOOYVGAW-DENIHFKCSA-N 0 0 423.831 5.630 50 5 HKBARN Cc1nc(CSc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)cs1 ZINC000026563861 569033585 /nfs/dbraw/zinc/03/35/85/569033585.db2.gz DLANCFAMYOQQGN-UHFFFAOYSA-N 0 0 403.460 5.043 50 5 HKBARN COc1cc(C(=O)NCc2cccs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000026565916 569034361 /nfs/dbraw/zinc/03/43/61/569034361.db2.gz CJZADQNAOZFXPY-UHFFFAOYSA-N 0 0 418.858 5.041 50 5 HKBARN CC(=O)N1c2ccccc2N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000026894732 569059844 /nfs/dbraw/zinc/05/98/44/569059844.db2.gz MQGIALSEFNTSGG-HSZRJFAPSA-N 0 0 419.868 5.867 50 5 HKBARN CC(=O)N1c2ccccc2N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000026894735 569059881 /nfs/dbraw/zinc/05/98/81/569059881.db2.gz MQGIALSEFNTSGG-QHCPKHFHSA-N 0 0 419.868 5.867 50 5 HKBARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000027467267 569324810 /nfs/dbraw/zinc/32/48/10/569324810.db2.gz TUPFIWCEUOHWCZ-UHFFFAOYSA-N 0 0 406.008 5.009 50 5 HKBARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)nc1 ZINC000027470036 569323966 /nfs/dbraw/zinc/32/39/66/569323966.db2.gz YBAQBLUNPAOVBV-UHFFFAOYSA-N 0 0 423.900 6.295 50 5 HKBARN O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000027473891 569323962 /nfs/dbraw/zinc/32/39/62/569323962.db2.gz VZVCYGBWBVXPKH-NTMALXAHSA-N 0 0 402.328 5.526 50 5 HKBARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000027496347 569325220 /nfs/dbraw/zinc/32/52/20/569325220.db2.gz QQKKDDUGKXTWFJ-UHFFFAOYSA-N 0 0 420.406 5.032 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000027496540 569325277 /nfs/dbraw/zinc/32/52/77/569325277.db2.gz QBFRDUHZHNBAPR-UHFFFAOYSA-N 0 0 421.840 5.541 50 5 HKBARN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1[N+](=O)[O-] ZINC000027500696 569325954 /nfs/dbraw/zinc/32/59/54/569325954.db2.gz SUAHBRGZGXCDSA-UHFFFAOYSA-N 0 0 418.272 5.042 50 5 HKBARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc([N+](=O)[O-])ccc1Br ZINC000027500836 569325947 /nfs/dbraw/zinc/32/59/47/569325947.db2.gz MIUSSIKKQOEUQU-UHFFFAOYSA-N 0 0 411.211 5.509 50 5 HKBARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000027501082 569325966 /nfs/dbraw/zinc/32/59/66/569325966.db2.gz RIXFRRXAKOYFHR-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3C)nc2c1 ZINC000027501091 569325962 /nfs/dbraw/zinc/32/59/62/569325962.db2.gz ZEILOVYAZORNKS-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000027501095 569325980 /nfs/dbraw/zinc/32/59/80/569325980.db2.gz QERMWPOHDNZBEX-UHFFFAOYSA-N 0 0 421.840 5.871 50 5 HKBARN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 ZINC000027501174 569325982 /nfs/dbraw/zinc/32/59/82/569325982.db2.gz XJJLJYMWYYBWKJ-UHFFFAOYSA-N 0 0 418.192 5.555 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000027519545 569328129 /nfs/dbraw/zinc/32/81/29/569328129.db2.gz PJTQULSXHNFORV-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000027519613 569328140 /nfs/dbraw/zinc/32/81/40/569328140.db2.gz PZRRBZDDKWSWQJ-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000027519615 569328058 /nfs/dbraw/zinc/32/80/58/569328058.db2.gz AUYVNLDLRNRFDD-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)oc2c1 ZINC000027519619 569328043 /nfs/dbraw/zinc/32/80/43/569328043.db2.gz NKHKRBADYNMLGO-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)oc2c(C)c1 ZINC000027519621 569328124 /nfs/dbraw/zinc/32/81/24/569328124.db2.gz ZSGNXMIKFZHQQC-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000027519629 569328115 /nfs/dbraw/zinc/32/81/15/569328115.db2.gz ZFRGFPLNWNISRE-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000027519631 569328083 /nfs/dbraw/zinc/32/80/83/569328083.db2.gz MDXMZVLTXMPWIJ-UHFFFAOYSA-N 0 0 411.776 5.448 50 5 HKBARN CCc1ccc2oc(-c3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3Cl)nc2c1 ZINC000027519929 569328150 /nfs/dbraw/zinc/32/81/50/569328150.db2.gz SQEOSPNSKDQMNA-UHFFFAOYSA-N 0 0 421.840 5.871 50 5 HKBARN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc([N+](=O)[O-])o1 ZINC000027520316 569328077 /nfs/dbraw/zinc/32/80/77/569328077.db2.gz SAFIEGPQFKBHDZ-UHFFFAOYSA-N 0 0 418.192 5.555 50 5 HKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000027522678 569361748 /nfs/dbraw/zinc/36/17/48/569361748.db2.gz RLQVRSBMOOGRIG-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2cc1C ZINC000027522679 569361779 /nfs/dbraw/zinc/36/17/79/569361779.db2.gz MVFVKMMGSXPALT-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000027522681 569361716 /nfs/dbraw/zinc/36/17/16/569361716.db2.gz GGGNHKNYETUNME-UHFFFAOYSA-N 0 0 421.840 5.926 50 5 HKBARN CCN(CC)c1cc(Nc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c2nonc21 ZINC000027532355 569367554 /nfs/dbraw/zinc/36/75/54/569367554.db2.gz SJXIJVMVNPFOGD-UHFFFAOYSA-N 0 0 403.442 5.388 50 5 HKBARN O=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1C(F)(F)F ZINC000027533646 558674283 /nfs/dbraw/zinc/67/42/83/558674283.db2.gz ASXMNVVYYOKUFP-UHFFFAOYSA-N 0 0 424.422 5.592 50 5 HKBARN O=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000027533701 558674635 /nfs/dbraw/zinc/67/46/35/558674635.db2.gz UAMLNRLSIRRVBW-UHFFFAOYSA-N 0 0 424.422 5.592 50 5 HKBARN CCOc1ccc(Oc2cc(Nc3ncnc4ccccc43)cc([N+](=O)[O-])c2)cc1 ZINC000027534402 571049436 /nfs/dbraw/zinc/04/94/36/571049436.db2.gz KVOSAQWXUWVOLY-UHFFFAOYSA-N 0 0 402.410 5.473 50 5 HKBARN Cn1c(-c2ccc(C(=O)c3ccccc3)o2)nc2c1c1ccccc1c1ccccc21 ZINC000027548547 569372098 /nfs/dbraw/zinc/37/20/98/569372098.db2.gz VYIKBEZMGONDSX-UHFFFAOYSA-N 0 0 402.453 6.371 50 5 HKBARN CC1=CC[C@@H](C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000027569978 569374095 /nfs/dbraw/zinc/37/40/95/569374095.db2.gz GOFZOUBXJJCJED-RTBURBONSA-N 0 0 415.287 5.436 50 5 HKBARN CC1=CC[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000027569980 569374149 /nfs/dbraw/zinc/37/41/49/569374149.db2.gz GOFZOUBXJJCJED-RBUKOAKNSA-N 0 0 415.287 5.436 50 5 HKBARN CC1=CC[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000027569983 569374125 /nfs/dbraw/zinc/37/41/25/569374125.db2.gz GOFZOUBXJJCJED-MOPGFXCFSA-N 0 0 415.287 5.436 50 5 HKBARN CC1=CC[C@H](C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000027569986 569374112 /nfs/dbraw/zinc/37/41/12/569374112.db2.gz GOFZOUBXJJCJED-OALUTQOASA-N 0 0 415.287 5.436 50 5 HKBARN O=c1cc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c2c(ccc3ccccc32)o1 ZINC000028869443 558706229 /nfs/dbraw/zinc/70/62/29/558706229.db2.gz ZSVFXGUZSYKNNI-UHFFFAOYSA-N 0 0 419.893 5.677 50 5 HKBARN COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000029372850 568825068 /nfs/dbraw/zinc/82/50/68/568825068.db2.gz MKKUVFMVRXWZNW-UHFFFAOYSA-N 0 0 413.817 5.005 50 5 HKBARN C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)c1nc(-c2ccco2)no1 ZINC000029737543 558719659 /nfs/dbraw/zinc/71/96/59/558719659.db2.gz LJAYLYNUGABQCR-CYBMUJFWSA-N 0 0 413.462 5.532 50 5 HKBARN C[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)c1nc(-c2ccco2)no1 ZINC000029737544 558719650 /nfs/dbraw/zinc/71/96/50/558719650.db2.gz LJAYLYNUGABQCR-ZDUSSCGKSA-N 0 0 413.462 5.532 50 5 HKBARN COc1ccc(C(=O)c2c3nc(C)n4c5ccc(C)cc5nc4c3c3ccccn32)cc1 ZINC000031848411 523779999 /nfs/dbraw/zinc/77/99/99/523779999.db2.gz GWOBSGRRUPOKJJ-UHFFFAOYSA-N 0 0 420.472 5.145 50 5 HKBARN O=[N+]([O-])c1ccc(COc2ccc3c(c2)onc3-c2cc(F)c(F)c(F)c2)cc1 ZINC000032074997 527352427 /nfs/dbraw/zinc/35/24/27/527352427.db2.gz BZMUHZJYPULVMT-UHFFFAOYSA-N 0 0 400.312 5.399 50 5 HKBARN Cc1ccc(C(C)C)c(OCc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)c1 ZINC000032117678 526248789 /nfs/dbraw/zinc/24/87/89/526248789.db2.gz QMNUDLVEAFTVIR-UHFFFAOYSA-N 0 0 417.538 5.515 50 5 HKBARN CCCC(=O)Nc1ccc(NC(=O)/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000032634450 519878448 /nfs/dbraw/zinc/87/84/48/519878448.db2.gz XYPQIRFDKAYILI-SQFISAMPSA-N 0 0 419.437 5.245 50 5 HKBARN O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccc([N+](=O)[O-])c1 ZINC000032699384 527497754 /nfs/dbraw/zinc/49/77/54/527497754.db2.gz FWVSKWPKHLPXCL-UHFFFAOYSA-N 0 0 400.268 5.339 50 5 HKBARN Cc1c(-c2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)cccc1[N+](=O)[O-] ZINC000032714700 525513179 /nfs/dbraw/zinc/51/31/79/525513179.db2.gz QAULURYYBJCKJA-UHFFFAOYSA-N 0 0 406.254 5.043 50 5 HKBARN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(-c2ccccc2F)s1 ZINC000032760966 527461459 /nfs/dbraw/zinc/46/14/59/527461459.db2.gz PPSDFEZDXHFNKE-QBFSEMIESA-N 0 0 419.437 5.117 50 5 HKBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000032781450 526674415 /nfs/dbraw/zinc/67/44/15/526674415.db2.gz KRJPOSAGSMYFNL-QGZVFWFLSA-N 0 0 404.900 5.159 50 5 HKBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000032781452 526674819 /nfs/dbraw/zinc/67/48/19/526674819.db2.gz KRJPOSAGSMYFNL-KRWDZBQOSA-N 0 0 404.900 5.159 50 5 HKBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000032796228 527358836 /nfs/dbraw/zinc/35/88/36/527358836.db2.gz RJTGRXLCXOLYOD-NRFANRHFSA-N 0 0 416.908 5.172 50 5 HKBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032796229 527359399 /nfs/dbraw/zinc/35/93/99/527359399.db2.gz RJTGRXLCXOLYOD-OAQYLSRUSA-N 0 0 416.908 5.172 50 5 HKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1-c1nc2ccccc2s1 ZINC000032810207 526078800 /nfs/dbraw/zinc/07/88/00/526078800.db2.gz FERPOLZTCBLYSP-UHFFFAOYSA-N 0 0 419.462 5.197 50 5 HKBARN COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc2c1 ZINC000032842231 525636661 /nfs/dbraw/zinc/63/66/61/525636661.db2.gz XPRBNRKRBAMEJG-CQSZACIVSA-N 0 0 412.873 5.172 50 5 HKBARN COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc2c1 ZINC000032842233 525638676 /nfs/dbraw/zinc/63/86/76/525638676.db2.gz XPRBNRKRBAMEJG-AWEZNQCLSA-N 0 0 412.873 5.172 50 5 HKBARN COc1cc(C(=O)Nc2ccccc2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000032855789 522161895 /nfs/dbraw/zinc/16/18/95/522161895.db2.gz YDBMIFCUERZNCC-UHFFFAOYSA-N 0 0 414.801 5.007 50 5 HKBARN CCCCn1c(C)c(C)nc1S[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000032895007 521362095 /nfs/dbraw/zinc/36/20/95/521362095.db2.gz YBFONAYTYYHUPW-AWEZNQCLSA-N 0 0 401.492 5.112 50 5 HKBARN CCCCn1c(C)c(C)nc1S[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000032895008 521361205 /nfs/dbraw/zinc/36/12/05/521361205.db2.gz YBFONAYTYYHUPW-CQSZACIVSA-N 0 0 401.492 5.112 50 5 HKBARN O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000032907957 526441629 /nfs/dbraw/zinc/44/16/29/526441629.db2.gz XDYMWNPGHWYZKR-UHFFFAOYSA-N 0 0 404.300 5.020 50 5 HKBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(Oc2ccccc2)c1 ZINC000032981916 558804046 /nfs/dbraw/zinc/80/40/46/558804046.db2.gz DCMMQRTYFVNZOH-UHFFFAOYSA-N 0 0 417.446 5.763 50 5 HKBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000033286034 559043705 /nfs/dbraw/zinc/04/37/05/559043705.db2.gz IAASVMXGURCTEI-WCIBSUBMSA-N 0 0 419.824 5.708 50 5 HKBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(COc3ccc(Cl)c(C)c3)nc12 ZINC000033326943 559059649 /nfs/dbraw/zinc/05/96/49/559059649.db2.gz PJQUNXBZGKORDE-UHFFFAOYSA-N 0 0 409.902 5.045 50 5 HKBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(COc3ccc(C(C)C)cc3)nc12 ZINC000033326948 568513894 /nfs/dbraw/zinc/51/38/94/568513894.db2.gz NSXYHJVEECJTAA-UHFFFAOYSA-N 0 0 403.511 5.206 50 5 HKBARN Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccccc5Cl)nc34)c21 ZINC000033326976 559059642 /nfs/dbraw/zinc/05/96/42/559059642.db2.gz CDYOSQRVJDZBPM-UHFFFAOYSA-N 0 0 419.819 5.535 50 5 HKBARN Cc1ccc(OCc2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)cc1 ZINC000033326993 559059675 /nfs/dbraw/zinc/05/96/75/559059675.db2.gz YNRRQUFHEFKGOX-UHFFFAOYSA-N 0 0 411.437 5.021 50 5 HKBARN Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cc5ccc(Cl)cc5)nc34)c21 ZINC000033327002 559059696 /nfs/dbraw/zinc/05/96/96/559059696.db2.gz MSUMEHHAWFJSPD-UHFFFAOYSA-N 0 0 415.856 5.377 50 5 HKBARN O=C(/C=C\c1ccc(Cl)cc1Cl)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000033333715 559063277 /nfs/dbraw/zinc/06/32/77/559063277.db2.gz BIDJTONCWAFAIN-YWEYNIOJSA-N 0 0 420.277 5.677 50 5 HKBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000033333819 559063325 /nfs/dbraw/zinc/06/33/25/559063325.db2.gz MRXWLLMNXNUQBI-DAXSKMNVSA-N 0 0 420.277 5.677 50 5 HKBARN Cc1noc(/C=C\c2ccc(-c3cc(C)c(C)cc3Br)o2)c1[N+](=O)[O-] ZINC000033334171 559063087 /nfs/dbraw/zinc/06/30/87/559063087.db2.gz RJKFNPMGNIMMKU-ALCCZGGFSA-N 0 0 403.232 5.701 50 5 HKBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033347518 559065072 /nfs/dbraw/zinc/06/50/72/559065072.db2.gz IFVWMRQOIIBOLP-JYRVWZFOSA-N 0 0 401.447 5.523 50 5 HKBARN Cc1[nH]c2ccccc2c1/C=C\c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000033410587 559167253 /nfs/dbraw/zinc/16/72/53/559167253.db2.gz WLYURXRLNCOTBD-PFONDFGASA-N 0 0 422.444 5.254 50 5 HKBARN COC(=O)c1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)scc1-c1ccc(C)cc1 ZINC000033456065 559194111 /nfs/dbraw/zinc/19/41/11/559194111.db2.gz VFHQDKTZLXSWPT-FLIBITNWSA-N 0 0 422.462 5.070 50 5 HKBARN Cc1cc(C)cc(-n2c(=O)c3ccccc3nc2SCc2ccc([N+](=O)[O-])cc2)c1 ZINC000033459018 559194006 /nfs/dbraw/zinc/19/40/06/559194006.db2.gz KHVTYWSCNMPGDU-UHFFFAOYSA-N 0 0 417.490 5.203 50 5 HKBARN Cc1noc(/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000033477665 559196982 /nfs/dbraw/zinc/19/69/82/559196982.db2.gz FBRGKCAEXSLVDN-FNORWQNLSA-N 0 0 405.237 5.947 50 5 HKBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000033624815 571316234 /nfs/dbraw/zinc/31/62/34/571316234.db2.gz SDBSKFXHLDTTSV-UHFFFAOYSA-N 0 0 418.909 5.420 50 5 HKBARN O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)ccc1Cl ZINC000033760627 559242432 /nfs/dbraw/zinc/24/24/32/559242432.db2.gz WEEJHDVOOYVGAW-UGKGYDQZSA-N 0 0 423.831 5.630 50 5 HKBARN O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)ccc1Cl ZINC000033760628 559242394 /nfs/dbraw/zinc/24/23/94/559242394.db2.gz WEEJHDVOOYVGAW-KNQAVFIVSA-N 0 0 423.831 5.630 50 5 HKBARN Nc1cccc(Sc2c3ccccc3c(Sc3cccc(N)c3)c3ccccc32)c1 ZINC000033858967 568523447 /nfs/dbraw/zinc/52/34/47/568523447.db2.gz WZYFGIYKNLFHKE-UHFFFAOYSA-N 0 0 424.594 7.460 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000033928164 558772188 /nfs/dbraw/zinc/77/21/88/558772188.db2.gz PQXSGEFRIIEIGJ-UNMCSNQZSA-N 0 0 423.831 5.630 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(OCc4ccc(F)c(F)c4)cc3)no2)c1 ZINC000034680335 568733742 /nfs/dbraw/zinc/73/37/42/568733742.db2.gz QSEVYMYKWIDHSJ-UHFFFAOYSA-N 0 0 409.348 5.169 50 5 HKBARN Cn1cc(C(/C=C\c2ccc([N+](=O)[O-])o2)c2cn(C)c3ccccc23)c2ccccc21 ZINC000034858246 568829506 /nfs/dbraw/zinc/82/95/06/568829506.db2.gz COJWPDGNGMKRIK-QBFSEMIESA-N 0 0 411.461 6.017 50 5 HKBARN COc1ccc(Nc2[nH]c(=O)c3ccccc3c2Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000034897690 568831277 /nfs/dbraw/zinc/83/12/77/568831277.db2.gz HSWMWAUDGCSUMF-UHFFFAOYSA-N 0 0 419.462 5.340 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907658 568831836 /nfs/dbraw/zinc/83/18/36/568831836.db2.gz LYTNOHHDOZYQLH-NRFANRHFSA-N 0 0 413.433 5.380 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907659 568831838 /nfs/dbraw/zinc/83/18/38/568831838.db2.gz LYTNOHHDOZYQLH-OAQYLSRUSA-N 0 0 413.433 5.380 50 5 HKBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907660 568831854 /nfs/dbraw/zinc/83/18/54/568831854.db2.gz HKGRMOFQXFDEMK-NRFANRHFSA-N 0 0 413.433 5.380 50 5 HKBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907661 568831844 /nfs/dbraw/zinc/83/18/44/568831844.db2.gz HKGRMOFQXFDEMK-OAQYLSRUSA-N 0 0 413.433 5.380 50 5 HKBARN Cc1ccc2nc(-c3cccc(Cl)c3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC000034913191 568832496 /nfs/dbraw/zinc/83/24/96/568832496.db2.gz VCCIJKFCKXNFOV-UHFFFAOYSA-N 0 0 406.829 5.124 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000035086049 568990133 /nfs/dbraw/zinc/99/01/33/568990133.db2.gz RSLPEUCUWMNWHO-UNMCSNQZSA-N 0 0 423.831 5.630 50 5 HKBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)Nc1cc(F)ccc1F ZINC000035086085 568990956 /nfs/dbraw/zinc/99/09/56/568990956.db2.gz HFGATKOJNCRMRN-UHFFFAOYSA-N 0 0 420.444 5.045 50 5 HKBARN Cc1noc(-c2ccc(C)cc2)c1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035672319 569048533 /nfs/dbraw/zinc/04/85/33/569048533.db2.gz RHTJTNRJOOPHMJ-UHFFFAOYSA-N 0 0 405.332 5.138 50 5 HKBARN Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3n2)cc1 ZINC000035682595 569048969 /nfs/dbraw/zinc/04/89/69/569048969.db2.gz UTTKZBDMHOBMBN-UHFFFAOYSA-N 0 0 404.451 5.014 50 5 HKBARN O=C(c1ccco1)N(Cc1c2ccccc2cc2ccccc21)c1ccc(Cl)cc1 ZINC000035686799 569050758 /nfs/dbraw/zinc/05/07/58/569050758.db2.gz WEPPYACWFCGOTO-UHFFFAOYSA-N 0 0 411.888 7.086 50 5 HKBARN CCCCCN(Cc1cccn1Cc1cccc(C)c1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000035728857 569053370 /nfs/dbraw/zinc/05/33/70/569053370.db2.gz NXIMKXJZDYGVIX-UHFFFAOYSA-N 0 0 419.525 5.586 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3cccc(F)c3F)n2-c2ccccc2)cc1 ZINC000035848107 569062670 /nfs/dbraw/zinc/06/26/70/569062670.db2.gz DVVSSWAOGRFZQF-UHFFFAOYSA-N 0 0 424.432 5.413 50 5 HKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3cc(F)cc(F)c3)n2-c2ccccc2)cc1 ZINC000035848110 569062654 /nfs/dbraw/zinc/06/26/54/569062654.db2.gz VPMLYTNCEIYXPX-UHFFFAOYSA-N 0 0 424.432 5.413 50 5 HKBARN COc1ccccc1CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000035848114 569062689 /nfs/dbraw/zinc/06/26/89/569062689.db2.gz HTLMOKKBLIUHQV-UHFFFAOYSA-N 0 0 418.478 5.143 50 5 HKBARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000035910997 569065966 /nfs/dbraw/zinc/06/59/66/569065966.db2.gz NDXZPHXEQAVNDY-UHFFFAOYSA-N 0 0 423.881 5.240 50 5 HKBARN Cc1c(C(=O)Nc2ccc(F)cc2)nn(C(C)(C)C)c1Oc1ccccc1[N+](=O)[O-] ZINC000036009358 569076281 /nfs/dbraw/zinc/07/62/81/569076281.db2.gz KRXJQNYBNSRNNZ-UHFFFAOYSA-N 0 0 412.421 5.038 50 5 HKBARN CC(C)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247195 569116486 /nfs/dbraw/zinc/11/64/86/569116486.db2.gz NNSSMQAHOOSBAE-UHFFFAOYSA-N 0 0 410.495 5.114 50 5 HKBARN CC(C)c1ccc(CN(c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247225 569116962 /nfs/dbraw/zinc/11/69/62/569116962.db2.gz UMYNGNHKZVASRZ-UHFFFAOYSA-N 0 0 410.495 5.114 50 5 HKBARN C[C@@H](c1ccccc1)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000036247664 569117127 /nfs/dbraw/zinc/11/71/27/569117127.db2.gz UYQQPWNBXJFNEB-HNNXBMFYSA-N 0 0 416.886 5.205 50 5 HKBARN C[C@H](c1ccccc1)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000036247665 569117157 /nfs/dbraw/zinc/11/71/57/569117157.db2.gz UYQQPWNBXJFNEB-OAHLLOKOSA-N 0 0 416.886 5.205 50 5 HKBARN C[C@@H](c1ccccc1)N(c1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000036247674 569116522 /nfs/dbraw/zinc/11/65/22/569116522.db2.gz LKSBMJPMVSTVCZ-HNNXBMFYSA-N 0 0 416.886 5.205 50 5 HKBARN C[C@H](c1ccccc1)N(c1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000036247675 569116524 /nfs/dbraw/zinc/11/65/24/569116524.db2.gz LKSBMJPMVSTVCZ-OAHLLOKOSA-N 0 0 416.886 5.205 50 5 HKBARN Cc1ccc([C@@H](C)N(c2cccc(C)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247682 569116512 /nfs/dbraw/zinc/11/65/12/569116512.db2.gz ADXFRTILVAVCDU-GOSISDBHSA-N 0 0 410.495 5.168 50 5 HKBARN Cc1ccc([C@H](C)N(c2cccc(C)c2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247683 569116535 /nfs/dbraw/zinc/11/65/35/569116535.db2.gz ADXFRTILVAVCDU-SFHVURJKSA-N 0 0 410.495 5.168 50 5 HKBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347334 569143798 /nfs/dbraw/zinc/14/37/98/569143798.db2.gz JRLZBUWICKKFGP-NRFANRHFSA-N 0 0 415.415 5.410 50 5 HKBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347335 569143810 /nfs/dbraw/zinc/14/38/10/569143810.db2.gz JRLZBUWICKKFGP-OAQYLSRUSA-N 0 0 415.415 5.410 50 5 HKBARN O=[N+]([O-])c1ccccc1CN1CCCn2cccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000036347346 569143717 /nfs/dbraw/zinc/14/37/17/569143717.db2.gz CPVCSJLWBSBAMO-NRFANRHFSA-N 0 0 415.415 5.410 50 5 HKBARN O=[N+]([O-])c1ccccc1CN1CCCn2cccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000036347347 569143730 /nfs/dbraw/zinc/14/37/30/569143730.db2.gz CPVCSJLWBSBAMO-OAQYLSRUSA-N 0 0 415.415 5.410 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@@H]1c1ccccc1Cl ZINC000036347404 569143781 /nfs/dbraw/zinc/14/37/81/569143781.db2.gz HUVNSOLQSQWXQK-QFIPXVFZSA-N 0 0 411.889 5.054 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@H]1c1ccccc1Cl ZINC000036347405 569143723 /nfs/dbraw/zinc/14/37/23/569143723.db2.gz HUVNSOLQSQWXQK-JOCHJYFZSA-N 0 0 411.889 5.054 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000036347460 569143974 /nfs/dbraw/zinc/14/39/74/569143974.db2.gz JTHNMDBSHFCXHF-QFIPXVFZSA-N 0 0 411.889 5.054 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000036347461 569143998 /nfs/dbraw/zinc/14/39/98/569143998.db2.gz JTHNMDBSHFCXHF-JOCHJYFZSA-N 0 0 411.889 5.054 50 5 HKBARN O=[N+]([O-])c1ccccc1CN1CCCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347476 569143925 /nfs/dbraw/zinc/14/39/25/569143925.db2.gz CBLJOIDSGQVKQD-NRFANRHFSA-N 0 0 416.308 5.698 50 5 HKBARN O=[N+]([O-])c1ccccc1CN1CCCn2cccc2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000036347477 569143922 /nfs/dbraw/zinc/14/39/22/569143922.db2.gz CBLJOIDSGQVKQD-OAQYLSRUSA-N 0 0 416.308 5.698 50 5 HKBARN CC(C)(C)c1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000036347799 569144275 /nfs/dbraw/zinc/14/42/75/569144275.db2.gz KGSRWCMZGHEILF-DEOSSOPVSA-N 0 0 403.526 5.689 50 5 HKBARN CC(C)(C)c1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000036347800 569144191 /nfs/dbraw/zinc/14/41/91/569144191.db2.gz KGSRWCMZGHEILF-XMMPIXPASA-N 0 0 403.526 5.689 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000036347801 569144320 /nfs/dbraw/zinc/14/43/20/569144320.db2.gz NWLYXYVRISIXJX-OAQYLSRUSA-N 0 0 415.415 5.410 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@H]1c2cccn2CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000036347802 569144317 /nfs/dbraw/zinc/14/43/17/569144317.db2.gz NWLYXYVRISIXJX-NRFANRHFSA-N 0 0 415.415 5.410 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@H]1c1cc(C)ccc1C ZINC000036348149 569144390 /nfs/dbraw/zinc/14/43/90/569144390.db2.gz ZQWIWKSDMJPSFU-XMMPIXPASA-N 0 0 405.498 5.017 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@@H]1c1cc(C)ccc1C ZINC000036348150 569144361 /nfs/dbraw/zinc/14/43/61/569144361.db2.gz ZQWIWKSDMJPSFU-DEOSSOPVSA-N 0 0 405.498 5.017 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2c3cccn3CCCN2Cc2ccccc2Cl)c1 ZINC000036348419 569144262 /nfs/dbraw/zinc/14/42/62/569144262.db2.gz JQFAVWHNIVQZOX-NRFANRHFSA-N 0 0 416.308 5.698 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2c3cccn3CCCN2Cc2ccccc2Cl)c1 ZINC000036348420 569144282 /nfs/dbraw/zinc/14/42/82/569144282.db2.gz JQFAVWHNIVQZOX-OAQYLSRUSA-N 0 0 416.308 5.698 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2c3cccn3CCCN2Cc2ccc(Cl)cc2)c1 ZINC000036348423 569144280 /nfs/dbraw/zinc/14/42/80/569144280.db2.gz MQUNTPMZAGMXSK-OAQYLSRUSA-N 0 0 416.308 5.698 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2c3cccn3CCCN2Cc2ccc(Cl)cc2)c1 ZINC000036348424 569144182 /nfs/dbraw/zinc/14/41/82/569144182.db2.gz MQUNTPMZAGMXSK-NRFANRHFSA-N 0 0 416.308 5.698 50 5 HKBARN O=[N+]([O-])c1cccc(CSc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)c1 ZINC000036349462 569144692 /nfs/dbraw/zinc/14/46/92/569144692.db2.gz HUBTVWMCRUXOPY-UHFFFAOYSA-N 0 0 415.474 6.136 50 5 HKBARN CC(C)c1cc(Oc2cccc(Cl)c2)nc(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000036349775 569147204 /nfs/dbraw/zinc/14/72/04/569147204.db2.gz SAJHXWYEEGOUAD-UHFFFAOYSA-N 0 0 415.902 6.246 50 5 HKBARN CCc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2ccccc2Cl)n1 ZINC000036350142 569147188 /nfs/dbraw/zinc/14/71/88/569147188.db2.gz GQIRJOREEWPSHR-UHFFFAOYSA-N 0 0 401.875 5.685 50 5 HKBARN CCc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2ccc(F)c(F)c2)n1 ZINC000036350206 569146439 /nfs/dbraw/zinc/14/64/39/569146439.db2.gz LMSXYMIHVSPPSW-UHFFFAOYSA-N 0 0 403.410 5.310 50 5 HKBARN CCc1cc(Oc2cccc(C(C)C)c2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000036350223 569147270 /nfs/dbraw/zinc/14/72/70/569147270.db2.gz VULJFVFTDNNUTE-UHFFFAOYSA-N 0 0 409.511 6.155 50 5 HKBARN CCc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000036350225 569147258 /nfs/dbraw/zinc/14/72/58/569147258.db2.gz QYIRGJZFCGBVFX-UHFFFAOYSA-N 0 0 415.902 5.994 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000036352123 569146473 /nfs/dbraw/zinc/14/64/73/569146473.db2.gz PATZBKAAFSVLEB-GGAORHGYSA-N 0 0 419.868 5.799 50 5 HKBARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000036352192 569358129 /nfs/dbraw/zinc/35/81/29/569358129.db2.gz CSHIGNMVWHCXNP-VWNXMTODSA-N 0 0 415.449 5.236 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)o1 ZINC000036352204 569147101 /nfs/dbraw/zinc/14/71/01/569147101.db2.gz LCOFVFSEVLSQHY-RXVVDRJESA-N 0 0 409.829 5.392 50 5 HKBARN Cc1nc(C)c(-c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)o2)s1 ZINC000036392590 569167963 /nfs/dbraw/zinc/16/79/63/569167963.db2.gz VOEZYWYQYVDYFB-UHFFFAOYSA-N 0 0 421.503 5.362 50 5 HKBARN CC(C)Nc1nc2c3sc4nc(C(F)F)cc(C5CC5)c4c3[nH]c(=O)c2s1 ZINC000036612834 569209039 /nfs/dbraw/zinc/20/90/39/569209039.db2.gz TURXUUHOMPMINE-UHFFFAOYSA-N 0 0 406.483 5.383 50 5 HKBARN CC(C)CNc1nc2c3sc4nc(C(F)F)cc(C5CC5)c4c3[nH]c(=O)c2s1 ZINC000036612877 569209045 /nfs/dbraw/zinc/20/90/45/569209045.db2.gz BYMWRGBOMFFEIH-UHFFFAOYSA-N 0 0 420.510 5.630 50 5 HKBARN COc1cc(-c2noc(-c3ccc(F)cc3)n2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000037279000 569246154 /nfs/dbraw/zinc/24/61/54/569246154.db2.gz FJGIFBYXBCVYEG-UHFFFAOYSA-N 0 0 421.384 5.039 50 5 HKBARN Cc1cccc(CSc2nc(Oc3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2)c1 ZINC000037509682 569302307 /nfs/dbraw/zinc/30/23/07/569302307.db2.gz IXENQWLLWAUYNK-UHFFFAOYSA-N 0 0 421.400 5.797 50 5 HKBARN CC(C)(C)c1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2ccc(F)cc2)n1 ZINC000037510006 569302426 /nfs/dbraw/zinc/30/24/26/569302426.db2.gz BZORTTSIKWYLJI-UHFFFAOYSA-N 0 0 413.474 5.906 50 5 HKBARN Cc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000037510268 569302446 /nfs/dbraw/zinc/30/24/46/569302446.db2.gz BVSLOTLNOUHXNB-UHFFFAOYSA-N 0 0 401.875 5.740 50 5 HKBARN Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000037510445 569302531 /nfs/dbraw/zinc/30/25/31/569302531.db2.gz IUTPIWBABXZIDQ-UHFFFAOYSA-N 0 0 409.511 6.075 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@H]1c1ccc(C)c(C)c1 ZINC000037522285 569303200 /nfs/dbraw/zinc/30/32/00/569303200.db2.gz QTQIVJOJPDKGMU-XMMPIXPASA-N 0 0 405.498 5.017 50 5 HKBARN COc1ccc([N+](=O)[O-])cc1CN1CCCn2cccc2[C@@H]1c1ccc(C)c(C)c1 ZINC000037522286 569303165 /nfs/dbraw/zinc/30/31/65/569303165.db2.gz QTQIVJOJPDKGMU-DEOSSOPVSA-N 0 0 405.498 5.017 50 5 HKBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000037523123 569303343 /nfs/dbraw/zinc/30/33/43/569303343.db2.gz XCBGSDOULWWEPZ-NRFANRHFSA-N 0 0 415.415 5.410 50 5 HKBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000037523124 569303418 /nfs/dbraw/zinc/30/34/18/569303418.db2.gz XCBGSDOULWWEPZ-OAQYLSRUSA-N 0 0 415.415 5.410 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2c3cccn3CCCN2Cc2c(F)cccc2F)c1 ZINC000037523820 569303696 /nfs/dbraw/zinc/30/36/96/569303696.db2.gz VYRGOMLSVLQTIP-NRFANRHFSA-N 0 0 417.843 5.323 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2c3cccn3CCCN2Cc2c(F)cccc2F)c1 ZINC000037523821 569303616 /nfs/dbraw/zinc/30/36/16/569303616.db2.gz VYRGOMLSVLQTIP-OAQYLSRUSA-N 0 0 417.843 5.323 50 5 HKBARN COc1cc(-c2noc(-c3cccc(F)c3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000037553648 569306039 /nfs/dbraw/zinc/30/60/39/569306039.db2.gz IKNQCKPTGVFIDC-UHFFFAOYSA-N 0 0 421.384 5.039 50 5 HKBARN COc1cc(-c2noc(-c3ccccc3F)n2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000037553948 569306124 /nfs/dbraw/zinc/30/61/24/569306124.db2.gz WCPSRFJWQHIIIS-UHFFFAOYSA-N 0 0 421.384 5.039 50 5 HKBARN c1ccc2c(c1)ccc1op(N3CCOCC3)oc3ccc4ccccc4c3c12 ZINC000038279801 558811310 /nfs/dbraw/zinc/81/13/10/558811310.db2.gz XUJAXBFFTHRXLV-UHFFFAOYSA-N 0 0 401.402 6.565 50 5 HKBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000039522587 571132863 /nfs/dbraw/zinc/13/28/63/571132863.db2.gz UMYCWVVGJQAKDI-ZETCQYMHSA-N 0 0 423.083 5.437 50 5 HKBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000039522589 571132798 /nfs/dbraw/zinc/13/27/98/571132798.db2.gz UMYCWVVGJQAKDI-SSDOTTSWSA-N 0 0 423.083 5.437 50 5 HKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 ZINC000039571634 571133525 /nfs/dbraw/zinc/13/35/25/571133525.db2.gz ZYUPDLMPWAATLO-UHFFFAOYSA-N 0 0 420.796 5.006 50 5 HKBARN CCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CCCC ZINC000039647242 558822399 /nfs/dbraw/zinc/82/23/99/558822399.db2.gz MYFHGRHNRNCMHV-UHFFFAOYSA-N 0 0 424.544 6.223 50 5 HKBARN Cc1oc2cc(Oc3nc4ccccn4c3[N+](=O)[O-])ccc2c(=O)c1-c1ccccc1 ZINC000040023601 571139682 /nfs/dbraw/zinc/13/96/82/571139682.db2.gz KJNKWVXIMCSHDY-UHFFFAOYSA-N 0 0 413.389 5.117 50 5 HKBARN C[C@H](Nc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000040062471 571147473 /nfs/dbraw/zinc/14/74/73/571147473.db2.gz NGVYNVYYJNPBPT-ZDUSSCGKSA-N 0 0 403.866 5.009 50 5 HKBARN C[C@@H](Nc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000040062474 571147466 /nfs/dbraw/zinc/14/74/66/571147466.db2.gz NGVYNVYYJNPBPT-CYBMUJFWSA-N 0 0 403.866 5.009 50 5 HKBARN Cc1nc2cc(Cl)ccc2cc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000040070184 571151170 /nfs/dbraw/zinc/15/11/70/571151170.db2.gz HIIQNRUPFRYPNB-UHFFFAOYSA-N 0 0 404.253 5.030 50 5 HKBARN CC(C)c1nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2o1 ZINC000040081709 571155979 /nfs/dbraw/zinc/15/59/79/571155979.db2.gz RPUWRLVQVZWOIC-UHFFFAOYSA-N 0 0 411.461 5.058 50 5 HKBARN Cc1c(CSc2nnc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] ZINC000040122879 571178797 /nfs/dbraw/zinc/17/87/97/571178797.db2.gz JCDPXDDZCXTICC-UHFFFAOYSA-N 0 0 406.261 5.008 50 5 HKBARN Cc1c(CSc2nnc(-c3ccccc3Br)o2)cccc1[N+](=O)[O-] ZINC000040127370 571179060 /nfs/dbraw/zinc/17/90/60/571179060.db2.gz BGGJHGGQOOCHOC-UHFFFAOYSA-N 0 0 406.261 5.008 50 5 HKBARN Cc1c(CSc2nnc(-c3cccc(Br)c3)o2)cccc1[N+](=O)[O-] ZINC000040127672 571179326 /nfs/dbraw/zinc/17/93/26/571179326.db2.gz QTEFQGJWNWNPLB-UHFFFAOYSA-N 0 0 406.261 5.008 50 5 HKBARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000041091638 527251234 /nfs/dbraw/zinc/25/12/34/527251234.db2.gz HXYCFFDMSPKCIF-UHFFFAOYSA-N 0 0 403.438 5.240 50 5 HKBARN C[C@]12CC3CC(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)(C1)C[C@@](C)(C3)C2 ZINC000041107599 525341418 /nfs/dbraw/zinc/34/14/18/525341418.db2.gz MDPXVKUNUJCGDY-JHOYHXADSA-N 0 0 418.946 5.942 50 5 HKBARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC([N+](=O)[O-])=C4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000043758888 569358198 /nfs/dbraw/zinc/35/81/98/569358198.db2.gz IIZJIZFOGQTBIO-WULASKKMSA-N 0 0 415.662 8.022 50 5 HKBARN O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccccc2)c1 ZINC000044086089 527382222 /nfs/dbraw/zinc/38/22/22/527382222.db2.gz ISUHGZCCKGIKOX-UHFFFAOYSA-N 0 0 405.454 5.879 50 5 HKBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCc2ccccc2)cc1 ZINC000044086579 525891628 /nfs/dbraw/zinc/89/16/28/525891628.db2.gz RCXGJTXHJDCPDA-UHFFFAOYSA-N 0 0 401.491 6.048 50 5 HKBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCc2ccc(F)cc2)cc1 ZINC000044086581 525892735 /nfs/dbraw/zinc/89/27/35/525892735.db2.gz APJWULVBMJWFNZ-UHFFFAOYSA-N 0 0 419.481 6.187 50 5 HKBARN Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCc1ccccc1 ZINC000044086886 525024742 /nfs/dbraw/zinc/02/47/42/525024742.db2.gz ULUVQOWAHWUUAL-UHFFFAOYSA-N 0 0 401.491 6.048 50 5 HKBARN Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCc1ccc(F)cc1 ZINC000044086888 525024699 /nfs/dbraw/zinc/02/46/99/525024699.db2.gz NBJDVEMTFRIBAX-UHFFFAOYSA-N 0 0 419.481 6.187 50 5 HKBARN O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2ccc(F)cc2)c1 ZINC000044087151 527381096 /nfs/dbraw/zinc/38/10/96/527381096.db2.gz ZHMVEGOOCUDESQ-UHFFFAOYSA-N 0 0 405.454 5.879 50 5 HKBARN O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(F)cc2)c1 ZINC000044087153 527380979 /nfs/dbraw/zinc/38/09/79/527380979.db2.gz PFRCLMRPZPYSCS-UHFFFAOYSA-N 0 0 423.444 6.018 50 5 HKBARN O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2cccc(Cl)c2)c1 ZINC000044087370 527381279 /nfs/dbraw/zinc/38/12/79/527381279.db2.gz CZZFDIITEXAZPK-UHFFFAOYSA-N 0 0 421.909 6.393 50 5 HKBARN O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000044087631 527381621 /nfs/dbraw/zinc/38/16/21/527381621.db2.gz UQUUUJJFIHWHSL-UHFFFAOYSA-N 0 0 421.909 6.393 50 5 HKBARN CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044088026 521786216 /nfs/dbraw/zinc/78/62/16/521786216.db2.gz KSHVXEPHLROLAC-UHFFFAOYSA-N 0 0 409.389 5.458 50 5 HKBARN CC(C)Sc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044088031 519788666 /nfs/dbraw/zinc/78/86/66/519788666.db2.gz BGBDDJNIAOLZLK-UHFFFAOYSA-N 0 0 423.416 5.847 50 5 HKBARN CC(C)Sc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088205 519788610 /nfs/dbraw/zinc/78/86/10/519788610.db2.gz WULGHRMUTHNLAY-UHFFFAOYSA-N 0 0 405.426 5.549 50 5 HKBARN CC(C)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088207 519769896 /nfs/dbraw/zinc/76/98/96/519769896.db2.gz KRGKDOJVJOVKDS-UHFFFAOYSA-N 0 0 419.453 5.797 50 5 HKBARN O=[N+]([O-])c1cccc(-c2csc(-c3ncc(-c4cccc([N+](=O)[O-])c4)s3)n2)c1 ZINC000044827476 527383319 /nfs/dbraw/zinc/38/33/19/527383319.db2.gz YVBSUWBIMQSMCJ-UHFFFAOYSA-N 0 0 410.436 5.417 50 5 HKBARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)SCC(=O)N2 ZINC000044900745 527553892 /nfs/dbraw/zinc/55/38/92/527553892.db2.gz ANUUBXLOMQPYJN-GOSISDBHSA-N 0 0 414.874 5.167 50 5 HKBARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cc([N+](=O)[O-])ccc1Cl)SCC(=O)N2 ZINC000044900747 527553511 /nfs/dbraw/zinc/55/35/11/527553511.db2.gz ANUUBXLOMQPYJN-SFHVURJKSA-N 0 0 414.874 5.167 50 5 HKBARN CC(C)(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000045071291 519373153 /nfs/dbraw/zinc/37/31/53/519373153.db2.gz QEALRAYVEXPZGP-UHFFFAOYSA-N 0 0 418.405 5.166 50 5 HKBARN CC(C)(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000045071299 519373809 /nfs/dbraw/zinc/37/38/09/519373809.db2.gz LASMNHCBPGJINK-UHFFFAOYSA-N 0 0 406.394 5.262 50 5 HKBARN CCCCOc1ccc2oc(C)c(C(=O)Nc3cc(OCC)ccc3[N+](=O)[O-])c2c1 ZINC000046086018 568428093 /nfs/dbraw/zinc/42/80/93/568428093.db2.gz JXPMUFKVHWIOPA-UHFFFAOYSA-N 0 0 412.442 5.479 50 5 HKBARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1 ZINC000046086345 568428128 /nfs/dbraw/zinc/42/81/28/568428128.db2.gz FBZTYSHLAKPWKD-UHFFFAOYSA-N 0 0 402.834 5.734 50 5 HKBARN Cc1ccc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 ZINC000048304299 571314507 /nfs/dbraw/zinc/31/45/07/571314507.db2.gz KKFRNTSPMLJIKP-INIZCTEOSA-N 0 0 404.422 5.074 50 5 HKBARN Cc1ccc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 ZINC000048304301 568436217 /nfs/dbraw/zinc/43/62/17/568436217.db2.gz KKFRNTSPMLJIKP-MRXNPFEDSA-N 0 0 404.422 5.074 50 5 HKBARN Clc1cc2cc(Cl)c3c(Cl)c(Cl)cc4cc(Cl)c(c1Cl)c2c43 ZINC000049625280 568452743 /nfs/dbraw/zinc/45/27/43/568452743.db2.gz MSJYWYWKOYUGEW-UHFFFAOYSA-N 0 0 408.926 8.504 50 5 HKBARN Cc1nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c(C)c1Cc1ccccc1 ZINC000050266489 559181144 /nfs/dbraw/zinc/18/11/44/559181144.db2.gz VPHMPWGMHFPEED-UHFFFAOYSA-N 0 0 417.490 5.225 50 5 HKBARN Cc1nc2c(c3nc4ccccc4nc3n2C2CCCCC2)c(=O)n1C1CCCC1 ZINC000050479723 559186853 /nfs/dbraw/zinc/18/68/53/559186853.db2.gz NFILAQWWBPXAKE-UHFFFAOYSA-N 0 0 401.514 5.223 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000051330333 560874387 /nfs/dbraw/zinc/87/43/87/560874387.db2.gz BAFWBINNUJOHIH-QLNFAEOISA-N 0 0 409.489 6.396 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000051330334 560874383 /nfs/dbraw/zinc/87/43/83/560874383.db2.gz BAFWBINNUJOHIH-NBIORXPHSA-N 0 0 409.489 6.396 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000051330336 560874371 /nfs/dbraw/zinc/87/43/71/560874371.db2.gz BAFWBINNUJOHIH-BGSGZOGBSA-N 0 0 409.489 6.396 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000051330338 560874318 /nfs/dbraw/zinc/87/43/18/560874318.db2.gz BAFWBINNUJOHIH-SVVIURPLSA-N 0 0 409.489 6.396 50 5 HKBARN O=[N+]([O-])c1ccc(/C=C2\CCCc3c2nn(-c2ccccc2)c3-c2ccccc2)cc1 ZINC000051330408 560875318 /nfs/dbraw/zinc/87/53/18/560875318.db2.gz TYJAMPXCQSPRIG-DYTRJAOYSA-N 0 0 407.473 6.324 50 5 HKBARN Cc1cc(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1C(C)C ZINC000058006648 568874770 /nfs/dbraw/zinc/87/47/70/568874770.db2.gz JYFKYZPEYKSUCW-UHFFFAOYSA-N 0 0 403.500 5.205 50 5 HKBARN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)o1 ZINC000058085017 568883595 /nfs/dbraw/zinc/88/35/95/568883595.db2.gz SYFYGZBGMXWRBB-PXAZEXFGSA-N 0 0 422.403 5.064 50 5 HKBARN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)o1 ZINC000058085021 568883733 /nfs/dbraw/zinc/88/37/33/568883733.db2.gz SYFYGZBGMXWRBB-SJCJKPOMSA-N 0 0 422.403 5.064 50 5 HKBARN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)o1 ZINC000058085025 568883678 /nfs/dbraw/zinc/88/36/78/568883678.db2.gz SYFYGZBGMXWRBB-SJKOYZFVSA-N 0 0 422.403 5.064 50 5 HKBARN C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)o1 ZINC000058085029 568883724 /nfs/dbraw/zinc/88/37/24/568883724.db2.gz SYFYGZBGMXWRBB-YVEFUNNKSA-N 0 0 422.403 5.064 50 5 HKBARN CCOc1ccc(C(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000058111538 568887774 /nfs/dbraw/zinc/88/77/74/568887774.db2.gz ZGJANWJREVPRSS-ZDUSSCGKSA-N 0 0 422.403 5.378 50 5 HKBARN CCOc1ccc(C(=O)N([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000058111546 568887753 /nfs/dbraw/zinc/88/77/53/568887753.db2.gz ZGJANWJREVPRSS-CYBMUJFWSA-N 0 0 422.403 5.378 50 5 HKBARN CSc1ccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] ZINC000058146313 568892176 /nfs/dbraw/zinc/89/21/76/568892176.db2.gz DUIDASNGYXXZSP-UHFFFAOYSA-N 0 0 420.899 5.451 50 5 HKBARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)N2CCCc3ccccc32)cc1 ZINC000058158011 568893823 /nfs/dbraw/zinc/89/38/23/568893823.db2.gz KQILNQIYUDACCW-UHFFFAOYSA-N 0 0 404.491 5.647 50 5 HKBARN COc1ccc(C(=O)Nc2cccc(Cl)c2Sc2ccccn2)cc1[N+](=O)[O-] ZINC000058163004 568894271 /nfs/dbraw/zinc/89/42/71/568894271.db2.gz KGVJMELVDGDRPP-UHFFFAOYSA-N 0 0 415.858 5.055 50 5 HKBARN CCC(CC)(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Cl)cc1 ZINC000058355921 568913838 /nfs/dbraw/zinc/91/38/38/568913838.db2.gz DKYCJZAISTZZHP-UHFFFAOYSA-N 0 0 400.866 5.103 50 5 HKBARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000058367818 568914310 /nfs/dbraw/zinc/91/43/10/568914310.db2.gz LMGBUHUZRZHWTQ-GOSISDBHSA-N 0 0 406.467 5.091 50 5 HKBARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000058367820 568914336 /nfs/dbraw/zinc/91/43/36/568914336.db2.gz LMGBUHUZRZHWTQ-SFHVURJKSA-N 0 0 406.467 5.091 50 5 HKBARN C[C@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000058391965 568915952 /nfs/dbraw/zinc/91/59/52/568915952.db2.gz RGCBCSJZYCDRKC-INIZCTEOSA-N 0 0 405.454 5.103 50 5 HKBARN C[C@@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000058391966 568916016 /nfs/dbraw/zinc/91/60/16/568916016.db2.gz RGCBCSJZYCDRKC-MRXNPFEDSA-N 0 0 405.454 5.103 50 5 HKBARN O=C(c1cc2ccccc2c2cccnc12)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058911443 558930859 /nfs/dbraw/zinc/93/08/59/558930859.db2.gz RVSYCKCPRJYSRB-UHFFFAOYSA-N 0 0 423.541 6.018 50 5 HKBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000058987470 568935938 /nfs/dbraw/zinc/93/59/38/568935938.db2.gz CQHOKIQCDJKVLJ-UHFFFAOYSA-N 0 0 418.236 5.270 50 5 HKBARN Cc1c(CSc2nnc(Cc3cccs3)n2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000059124314 568944027 /nfs/dbraw/zinc/94/40/27/568944027.db2.gz QPQBHFNPLYOVCR-UHFFFAOYSA-N 0 0 422.535 5.429 50 5 HKBARN COc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(C)c2[N+](=O)[O-])cc1 ZINC000059128995 568944069 /nfs/dbraw/zinc/94/40/69/568944069.db2.gz ZFYRFJTZSJNSNT-UHFFFAOYSA-N 0 0 419.363 5.208 50 5 HKBARN Cc1c(COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cccc1[N+](=O)[O-] ZINC000060682243 559050610 /nfs/dbraw/zinc/05/06/10/559050610.db2.gz CQLTWLMGFOHPIX-UHFFFAOYSA-N 0 0 410.040 5.269 50 5 HKBARN O=[N+]([O-])c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1 ZINC000060875189 559161560 /nfs/dbraw/zinc/16/15/60/559161560.db2.gz QVQINKRFMNCIJK-UHFFFAOYSA-N 0 0 405.845 5.108 50 5 HKBARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)no2)cc1 ZINC000061997091 560564797 /nfs/dbraw/zinc/56/47/97/560564797.db2.gz SOXHZUVFUVVFLJ-UHFFFAOYSA-N 0 0 415.833 5.334 50 5 HKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(Cc1c(F)cccc1Cl)CO2 ZINC000061997696 560565171 /nfs/dbraw/zinc/56/51/71/560565171.db2.gz RLWBVWMVAWYIHG-UHFFFAOYSA-N 0 0 409.844 5.399 50 5 biogenic HKBARN Cc1cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(F)cc2n1 ZINC000063449357 568834752 /nfs/dbraw/zinc/83/47/52/568834752.db2.gz GFMDLYLBMPNFFH-UHFFFAOYSA-N 0 0 413.836 5.301 50 5 HKBARN O=C(c1cc(Cl)sc1Cl)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063449531 568834748 /nfs/dbraw/zinc/83/47/48/568834748.db2.gz WOENEOXUDMJFOX-UHFFFAOYSA-N 0 0 405.690 5.673 50 5 HKBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1c2ccccc2cc2ccccc21 ZINC000064819788 569102234 /nfs/dbraw/zinc/10/22/34/569102234.db2.gz GBZXCUXZULZHOS-DEOSSOPVSA-N 0 0 411.417 5.140 50 5 HKBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@H]1c1c2ccccc2cc2ccccc21 ZINC000064819789 569102262 /nfs/dbraw/zinc/10/22/62/569102262.db2.gz GBZXCUXZULZHOS-XMMPIXPASA-N 0 0 411.417 5.140 50 5 HKBARN Cc1ccc(C)n1C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000065475674 569231544 /nfs/dbraw/zinc/23/15/44/569231544.db2.gz KHPFSSCYZSYDHL-UHFFFAOYSA-N 0 0 418.497 5.234 50 5 HKBARN Cc1cc2c(cc1C)c1nc3ccccc3sc-1c(-c1ccc(Cl)cc1)c2=O ZINC000067300069 571073582 /nfs/dbraw/zinc/07/35/82/571073582.db2.gz AVPNXNOBQMYJPX-UHFFFAOYSA-N 0 0 401.918 6.852 50 5 HKBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 ZINC000068563849 569399523 /nfs/dbraw/zinc/39/95/23/569399523.db2.gz TZGSAAFZDFZNNF-PHEQNACWSA-N 0 0 417.377 5.752 50 5 HKBARN O=[N+]([O-])c1cccc(Nc2nc(-c3ccc(I)cc3)cs2)c1 ZINC000068584011 571133974 /nfs/dbraw/zinc/13/39/74/571133974.db2.gz HPAZSYZAOQOCQB-UHFFFAOYSA-N 0 0 423.235 5.067 50 5 HKBARN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]1c1nc2ccccc2s1 ZINC000069447586 571228187 /nfs/dbraw/zinc/22/81/87/571228187.db2.gz MUWJFDDCZDTFHN-AWEZNQCLSA-N 0 0 404.289 5.309 50 5 HKBARN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000069447588 571228222 /nfs/dbraw/zinc/22/82/22/571228222.db2.gz MUWJFDDCZDTFHN-CQSZACIVSA-N 0 0 404.289 5.309 50 5 HKBARN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000069709657 571239791 /nfs/dbraw/zinc/23/97/91/571239791.db2.gz COWONFGJMLIUDA-UHFFFAOYSA-N 0 0 418.449 5.113 50 5 HKBARN Cn1c2ccccc2c(=NN=c2c3ccccc3n(C)c3ccccc32)c2ccccc21 ZINC000071767005 558840780 /nfs/dbraw/zinc/84/07/80/558840780.db2.gz WELJAHUDLIYPOU-UHFFFAOYSA-N 0 0 414.512 5.393 50 5 HKBARN C[C@]12OCC[C@H]1[C@@]1(C)C=CCC(C)(C)C1=C[C@H]2OC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071786565 569013044 /nfs/dbraw/zinc/01/30/44/569013044.db2.gz CZHIBOBOSQGHTA-RECSWBGYSA-N 0 0 412.486 5.240 50 5 HKBARN Brc1ccc2c(c1)c(-c1ccccc1)c1ccccc1c2-c1ccccc1 ZINC000071791197 558912258 /nfs/dbraw/zinc/91/22/58/558912258.db2.gz OZNXPZBQVNNJCS-UHFFFAOYSA-N 0 0 409.326 8.090 50 5 HKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000071854127 569254671 /nfs/dbraw/zinc/25/46/71/569254671.db2.gz VUQIZDWUBMXLLN-UHFFFAOYSA-N 0 0 418.236 5.068 50 5 HKBARN COc1ccc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000072047131 558438821 /nfs/dbraw/zinc/43/88/21/558438821.db2.gz QZVAOAPVPQZCBU-UHFFFAOYSA-N 0 0 411.845 5.121 50 5 HKBARN COc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000072193659 559167397 /nfs/dbraw/zinc/16/73/97/559167397.db2.gz OARQXCDZBBWWMS-UHFFFAOYSA-N 0 0 421.453 5.106 50 5 HKBARN Cc1c([C@@H](C)NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cnn1C ZINC000072232554 558630991 /nfs/dbraw/zinc/63/09/91/558630991.db2.gz IVEGUPOSNNDVRD-MRXNPFEDSA-N 0 0 423.516 5.466 50 5 HKBARN Cc1c([C@H](C)NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cnn1C ZINC000072232555 558630908 /nfs/dbraw/zinc/63/09/08/558630908.db2.gz IVEGUPOSNNDVRD-INIZCTEOSA-N 0 0 423.516 5.466 50 5 HKBARN O=C(CCc1ccc(Cl)cc1Cl)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000072295988 558748908 /nfs/dbraw/zinc/74/89/08/558748908.db2.gz YKGAZGHHVYMHQW-GOSISDBHSA-N 0 0 411.310 5.108 50 5 HKBARN O=C(CCc1ccc(Cl)cc1Cl)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000072295989 558748870 /nfs/dbraw/zinc/74/88/70/558748870.db2.gz YKGAZGHHVYMHQW-SFHVURJKSA-N 0 0 411.310 5.108 50 5 HKBARN c1ccc2c(c1)-c1ccc3c4ccc5c6c(ccc(c7ccc-2c1c37)c64)-c1ccccc1-5 ZINC000072319785 526500827 /nfs/dbraw/zinc/50/08/27/526500827.db2.gz BKMIWBZIQAAZBD-UHFFFAOYSA-N 0 0 400.480 9.032 50 5 HKBARN CC(C)Oc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000079188904 569429042 /nfs/dbraw/zinc/42/90/42/569429042.db2.gz SUCXQBWCUXVOOI-UHFFFAOYSA-N 0 0 417.465 5.365 50 5 biogenic HKBARN CC(C)Cc1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCCC1 ZINC000079189341 569429167 /nfs/dbraw/zinc/42/91/67/569429167.db2.gz ZLDLOHKNMKMJRZ-UHFFFAOYSA-N 0 0 407.514 5.814 50 5 biogenic HKBARN O=c1[nH]n(C2CCCCCC2)c2nc3c4ccc(O)cc4oc3c(-c3cccnc3)c12 ZINC000079191060 569429320 /nfs/dbraw/zinc/42/93/20/569429320.db2.gz HWBBCJHQXLTVMH-UHFFFAOYSA-N 0 0 414.465 5.287 50 5 biogenic HKBARN Cn1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cn1 ZINC000079464755 569431165 /nfs/dbraw/zinc/43/11/65/569431165.db2.gz XFIXAVZSYHFLTM-UHFFFAOYSA-N 0 0 417.469 5.038 50 5 HKBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C4CCCC4)c3-c3cccnc3)c2ccc1O ZINC000079473397 569431309 /nfs/dbraw/zinc/43/13/09/569431309.db2.gz VLYANKMGPKTJLB-UHFFFAOYSA-N 0 0 400.438 5.227 50 5 HKBARN COc1ccc(-c2c3oc4c(ccc(O)c4C)c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000079475399 569431447 /nfs/dbraw/zinc/43/14/47/569431447.db2.gz LNKAXULAMSRVMT-UHFFFAOYSA-N 0 0 403.438 5.307 50 5 HKBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C(C)C)c3-c3ccc(C(C)C)cc3)c2ccc1O ZINC000079480379 569431711 /nfs/dbraw/zinc/43/17/11/569431711.db2.gz ZXAZRNSAYVEIPP-UHFFFAOYSA-N 0 0 415.493 6.422 50 5 HKBARN O=c1[nH]n(C2CCCCCCC2)c2nc3c4ccc(O)cc4oc3c(-c3ccco3)c12 ZINC000079483064 569432024 /nfs/dbraw/zinc/43/20/24/569432024.db2.gz FSSILQAGZBJYRT-UHFFFAOYSA-N 0 0 417.465 6.287 50 5 HKBARN CC(C)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000079483688 569431942 /nfs/dbraw/zinc/43/19/42/569431942.db2.gz UUENKSIYIHTLCD-UHFFFAOYSA-N 0 0 401.466 6.113 50 5 HKBARN COc1cc(-c2c3oc4c(ccc(O)c4C)c3nc3c2c(=O)[nH]n3C(C)C)ccc1O ZINC000079486558 569432105 /nfs/dbraw/zinc/43/21/05/569432105.db2.gz ZJIXJPDHOVHLKG-UHFFFAOYSA-N 0 0 419.437 5.012 50 5 HKBARN COc1ccc(-c2c3oc4c(ccc(O)c4C)c3nc3c2c(=O)[nH]n3C(C)C)cc1O ZINC000079489122 569432337 /nfs/dbraw/zinc/43/23/37/569432337.db2.gz ZWOPXRHGXHLQNM-UHFFFAOYSA-N 0 0 419.437 5.012 50 5 HKBARN COc1ccc(OC)c(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c1 ZINC000079489419 569432309 /nfs/dbraw/zinc/43/23/09/569432309.db2.gz YNNZTQKNAOXLIR-UHFFFAOYSA-N 0 0 419.437 5.007 50 5 HKBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C4CCCCCC4)c3-c3ccco3)c2ccc1O ZINC000079492998 569432656 /nfs/dbraw/zinc/43/26/56/569432656.db2.gz JNVXJLJTBMYGNK-UHFFFAOYSA-N 0 0 417.465 6.206 50 5 HKBARN COc1cc(OC)cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c1 ZINC000079494148 569432571 /nfs/dbraw/zinc/43/25/71/569432571.db2.gz HYRXCHRUKVNVHC-UHFFFAOYSA-N 0 0 419.437 5.007 50 5 HKBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C4CCCCCCC4)c3CC(C)C)c2ccc1O ZINC000079494622 569432555 /nfs/dbraw/zinc/43/25/55/569432555.db2.gz QLQYJUPKDYBVOI-UHFFFAOYSA-N 0 0 421.541 6.534 50 5 HKBARN COc1cccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c1OC ZINC000079497479 569432823 /nfs/dbraw/zinc/43/28/23/569432823.db2.gz BTOKFAPWFSAGIH-UHFFFAOYSA-N 0 0 419.437 5.007 50 5 HKBARN Cc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)o1 ZINC000079497750 569432820 /nfs/dbraw/zinc/43/28/20/569432820.db2.gz GMASLFMQLFEGAL-UHFFFAOYSA-N 0 0 417.465 6.206 50 5 HKBARN O=c1[nH]n(C2CCCCCC2)c2nc3c4ccc(O)cc4oc3c(-c3ccco3)c12 ZINC000079497830 569432836 /nfs/dbraw/zinc/43/28/36/569432836.db2.gz UYAAEBQFAFYQIO-UHFFFAOYSA-N 0 0 403.438 5.897 50 5 HKBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C(C)C)c3-c3ccc(O)c(Cl)c3)c2ccc1O ZINC000079501982 569432839 /nfs/dbraw/zinc/43/28/39/569432839.db2.gz KPAPPKCCHNTFML-UHFFFAOYSA-N 0 0 423.856 5.657 50 5 HKBARN O=C(c1ccc([N+](=O)[O-])o1)n1cnc2c1ccc(-c1ccccc1)c2-c1ccccc1 ZINC000080341342 569398953 /nfs/dbraw/zinc/39/89/53/569398953.db2.gz TUHKAEHPLLTTNL-UHFFFAOYSA-N 0 0 409.401 5.560 50 5 HKBARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2COC(=O)/C=C\c2ccccc2)cc1 ZINC000083326846 568914207 /nfs/dbraw/zinc/91/42/07/568914207.db2.gz VISPYMFJGXTYJQ-ZROIWOOFSA-N 0 0 405.475 5.811 50 5 HKBARN Cc1ccc(-c2ncc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)s2)c(C)c1 ZINC000084142232 568940097 /nfs/dbraw/zinc/94/00/97/568940097.db2.gz DWBGVKZCKWBUIZ-UHFFFAOYSA-N 0 0 415.902 5.261 50 5 HKBARN O=C(Nc1cccc2[nH]ccc21)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F ZINC000084505963 568949892 /nfs/dbraw/zinc/94/98/92/568949892.db2.gz LZCQQXZBVSKQQU-UHFFFAOYSA-N 0 0 407.426 5.619 50 5 HKBARN C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000084651741 568954782 /nfs/dbraw/zinc/95/47/82/568954782.db2.gz AWLMJKBMSKMHRH-VIFPVBQESA-N 0 0 413.783 5.325 50 5 HKBARN C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000084651742 568954830 /nfs/dbraw/zinc/95/48/30/568954830.db2.gz AWLMJKBMSKMHRH-SECBINFHSA-N 0 0 413.783 5.325 50 5 HKBARN Brc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12 ZINC000085221691 559056516 /nfs/dbraw/zinc/05/65/16/559056516.db2.gz VCJIOUBBOCVHPE-UHFFFAOYSA-N 0 0 409.326 8.090 50 5 HKBARN COc1c2ccc(Br)c3ccc4c(Br)ccc(c1OC)c4c32 ZINC000085223945 559056539 /nfs/dbraw/zinc/05/65/39/559056539.db2.gz JMVGDSOPCGIBLM-UHFFFAOYSA-N 0 0 420.100 6.126 50 5 HKBARN Cc1cc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc12 ZINC000089600778 569261114 /nfs/dbraw/zinc/26/11/14/569261114.db2.gz KGNFRRGXADCARQ-LBPRGKRZSA-N 0 0 401.875 5.224 50 5 HKBARN Cc1ccc(-c2nn3c(Nc4ccc(Cl)cc4)nc4ccccc4c3nc2=O)cc1 ZINC000089640913 569261718 /nfs/dbraw/zinc/26/17/18/569261718.db2.gz XAWANGVVPGSTEM-UHFFFAOYSA-N 0 0 413.868 5.010 50 5 HKBARN Cc1ccc(-c2nn3c(SCc4ccccc4)nc4ccccc4c3nc2=O)cc1C ZINC000089643292 569261691 /nfs/dbraw/zinc/26/16/91/569261691.db2.gz VCGKBWNNYJXVIX-UHFFFAOYSA-N 0 0 424.529 5.214 50 5 HKBARN O=[N+]([O-])c1cc(Cl)c(OCc2csc(-c3ccc(Cl)cc3)n2)c(Cl)c1 ZINC000089793850 569265295 /nfs/dbraw/zinc/26/52/95/569265295.db2.gz TULCWYMKLNIFER-UHFFFAOYSA-N 0 0 415.685 6.258 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H](c1c(O)ccc3ccccc31)c1c(ccc3ccccc31)O2 ZINC000089873112 569267446 /nfs/dbraw/zinc/26/74/46/569267446.db2.gz JQUJQYUFNJWGIK-MHZLTWQESA-N 0 0 419.436 6.893 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@H](c1c(O)ccc3ccccc31)c1c(ccc3ccccc31)O2 ZINC000089873113 569267463 /nfs/dbraw/zinc/26/74/63/569267463.db2.gz JQUJQYUFNJWGIK-HHHXNRCGSA-N 0 0 419.436 6.893 50 5 HKBARN CCOc1ccc(OCC)c(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000089991055 569271140 /nfs/dbraw/zinc/27/11/40/569271140.db2.gz DDEMGZRQYLEANT-UHFFFAOYSA-N 0 0 414.461 6.274 50 5 HKBARN O=C(Nc1nc2ccccc2c2nc3ccccc3n21)c1cc(Cl)sc1Cl ZINC000090427107 569040067 /nfs/dbraw/zinc/04/00/67/569040067.db2.gz CDPXNGSJEGMPMW-UHFFFAOYSA-N 0 0 413.289 5.656 50 5 HKBARN CC(C)(C)c1cc2ccc3c(Br)cc(Br)c4ccc(c1)c2c34 ZINC000090548701 559068762 /nfs/dbraw/zinc/06/87/62/559068762.db2.gz BARYQDOQFLJABV-UHFFFAOYSA-N 0 0 416.156 7.407 50 5 HKBARN Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc32)cc1 ZINC000090549412 559068776 /nfs/dbraw/zinc/06/87/76/559068776.db2.gz LDFCHUHQZQRSHF-UHFFFAOYSA-N 0 0 409.326 8.090 50 5 HKBARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000095350262 568600760 /nfs/dbraw/zinc/60/07/60/568600760.db2.gz RKNMEWWFNBTDRN-UHFFFAOYSA-N 0 0 412.348 5.656 50 5 HKBARN Cc1cccc(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1[N+](=O)[O-] ZINC000095447570 568612302 /nfs/dbraw/zinc/61/23/02/568612302.db2.gz MXMKSNPEPCKJFR-UHFFFAOYSA-N 0 0 423.174 5.403 50 5 HKBARN COc1ccc2cc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(Cl)nc2c1 ZINC000095469910 568625964 /nfs/dbraw/zinc/62/59/64/568625964.db2.gz VESXEXYRXXTTJX-UHFFFAOYSA-N 0 0 406.269 5.090 50 5 HKBARN O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c32)C(=O)N1Cc1ccccc1 ZINC000095470956 568625644 /nfs/dbraw/zinc/62/56/44/568625644.db2.gz CRDKBKBRBBUOCW-UHFFFAOYSA-N 0 0 424.412 5.337 50 5 HKBARN O=c1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c4nc5ccccc5n41)c32 ZINC000095470960 568626418 /nfs/dbraw/zinc/62/64/18/568626418.db2.gz FMPQQRWKPGHKKI-UHFFFAOYSA-N 0 0 407.385 5.292 50 5 HKBARN Cc1ccc(-n2c(=O)c3ccc4sc5ccccc5c5ccc(c3c45)c2=O)cc1N ZINC000095471039 559081171 /nfs/dbraw/zinc/08/11/71/559081171.db2.gz WHHBWDFKTRLDIY-UHFFFAOYSA-N 0 0 408.482 5.200 50 5 HKBARN Cc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)o1 ZINC000095477366 568631039 /nfs/dbraw/zinc/63/10/39/568631039.db2.gz TTZJURNQIFTSNE-UHFFFAOYSA-N 0 0 403.438 5.816 50 5 HKBARN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc(O)c(Cl)c1 ZINC000095478830 568631882 /nfs/dbraw/zinc/63/18/82/568631882.db2.gz HZZHVHMSLYMURX-UHFFFAOYSA-N 0 0 409.829 5.349 50 5 HKBARN O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)cc4oc3c(-c3ccc(O)cc3)c12 ZINC000095479925 526381174 /nfs/dbraw/zinc/38/11/74/526381174.db2.gz OTPKYYLAEYKYFS-UHFFFAOYSA-N 0 0 401.422 5.230 50 5 HKBARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095642789 560662131 /nfs/dbraw/zinc/66/21/31/560662131.db2.gz CZHKOFFGKUPWKF-UHFFFAOYSA-N 0 0 406.357 5.290 50 5 HKBARN CC(C)c1ccc(-c2ncc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)s2)cc1 ZINC000095961410 568670220 /nfs/dbraw/zinc/67/02/20/568670220.db2.gz XMXPIKZAZUBPIB-UHFFFAOYSA-N 0 0 405.483 5.149 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCCOc4cc(Cl)ccc43)cs2)c1 ZINC000095989232 568677368 /nfs/dbraw/zinc/67/73/68/568677368.db2.gz RMURNSVSHPHWMH-GOSISDBHSA-N 0 0 415.902 5.375 50 5 HKBARN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCCOc4cc(Cl)ccc43)cs2)c1 ZINC000095989233 568677354 /nfs/dbraw/zinc/67/73/54/568677354.db2.gz RMURNSVSHPHWMH-SFHVURJKSA-N 0 0 415.902 5.375 50 5 HKBARN COc1ccc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)c(C)c4oc32)cc1O ZINC000096113869 568693372 /nfs/dbraw/zinc/69/33/72/568693372.db2.gz QPAFEGITZJTLNU-UHFFFAOYSA-N 0 0 403.438 5.307 50 5 biogenic HKBARN COc1ccc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)cc4oc32)c(OC)c1 ZINC000096114014 568693496 /nfs/dbraw/zinc/69/34/96/568693496.db2.gz RADSQGVAMSLQBO-UHFFFAOYSA-N 0 0 403.438 5.301 50 5 biogenic HKBARN Cc1c2oc3c(nc4c(cnn4C(C)C)c3C3=Cc4ccccc4OC3)c2ccc1O ZINC000096114159 568693740 /nfs/dbraw/zinc/69/37/40/568693740.db2.gz XLGFTDAWKJSXDJ-UHFFFAOYSA-N 0 0 411.461 5.859 50 5 biogenic HKBARN Cc1c2oc3c(nc4c(cnn4C(C)C)c3-c3cc4ccccc4[nH]c3=O)c2ccc1O ZINC000096114200 568693987 /nfs/dbraw/zinc/69/39/87/568693987.db2.gz MDQQRUQVHZSQLC-UHFFFAOYSA-N 0 0 424.460 5.434 50 5 biogenic HKBARN COc1ccc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)c(C)c4oc32)cc1OC ZINC000096114840 568694613 /nfs/dbraw/zinc/69/46/13/568694613.db2.gz OUDUWFKNMKYGGA-UHFFFAOYSA-N 0 0 417.465 5.610 50 5 biogenic HKBARN COc1cc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)c(C)c4oc32)ccc1O ZINC000096114884 568694520 /nfs/dbraw/zinc/69/45/20/568694520.db2.gz NYBFXXQYPOQCHZ-UHFFFAOYSA-N 0 0 403.438 5.307 50 5 biogenic HKBARN CC(C)n1ncc2c1nc1c3ccc(O)cc3oc1c2-c1cc2ccccc2n(C)c1=O ZINC000096115010 568694554 /nfs/dbraw/zinc/69/45/54/568694554.db2.gz YCSHIABGXKTKOI-UHFFFAOYSA-N 0 0 424.460 5.136 50 5 biogenic HKBARN CC(C)n1ncc2c1nc1c3ccc(O)cc3oc1c2-c1cc2ccccc2[nH]c1=O ZINC000096115018 568694638 /nfs/dbraw/zinc/69/46/38/568694638.db2.gz NLXADPYHFABIAT-UHFFFAOYSA-N 0 0 410.433 5.126 50 5 biogenic HKBARN COc1cc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)cc4oc32)cc(OC)c1O ZINC000096115408 568695004 /nfs/dbraw/zinc/69/50/04/568695004.db2.gz MFFLTRCELYZBAA-UHFFFAOYSA-N 0 0 419.437 5.007 50 5 biogenic HKBARN COc1ccc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)cc4oc32)cc1OC ZINC000096115515 568695092 /nfs/dbraw/zinc/69/50/92/568695092.db2.gz OYBRHSLQWMAMAW-UHFFFAOYSA-N 0 0 403.438 5.301 50 5 biogenic HKBARN Cc1ccc2[nH]c(=O)c(-c3c4cnn(C(C)C)c4nc4c5ccc(O)cc5oc43)cc2c1 ZINC000096115547 568695109 /nfs/dbraw/zinc/69/51/09/568695109.db2.gz HZRQMGGJNCAUCD-UHFFFAOYSA-N 0 0 424.460 5.434 50 5 biogenic HKBARN COC(=O)c1ccc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)cc4oc32)cc1 ZINC000096116206 568695832 /nfs/dbraw/zinc/69/58/32/568695832.db2.gz KEJLHWPQFUQRMH-UHFFFAOYSA-N 0 0 401.422 5.071 50 5 biogenic HKBARN CC(C)n1ncc2c1nc1c3ccc(O)cc3oc1c2-c1ccc2c(c1)OCCO2 ZINC000096116209 568695950 /nfs/dbraw/zinc/69/59/50/568695950.db2.gz POAGDNBNFJGVPD-UHFFFAOYSA-N 0 0 401.422 5.055 50 5 biogenic HKBARN Cc1c2oc3c(nc4c(cnn4C(C)C)c3-c3cccc4cccnc43)c2ccc1O ZINC000096116270 568695829 /nfs/dbraw/zinc/69/58/29/568695829.db2.gz CTSJCBIUBSDDRK-UHFFFAOYSA-N 0 0 408.461 6.141 50 5 biogenic HKBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1N1CCCC1 ZINC000096191658 568703580 /nfs/dbraw/zinc/70/35/80/568703580.db2.gz OKVNNKIDTUIYOO-UHFFFAOYSA-N 0 0 410.477 5.919 50 5 HKBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1N1CCCCC1 ZINC000096191659 568703653 /nfs/dbraw/zinc/70/36/53/568703653.db2.gz KNCKRDCJXVAPLN-UHFFFAOYSA-N 0 0 424.504 6.309 50 5 HKBARN O=[N+]([O-])c1ccc(Cl)c(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000096191897 568703666 /nfs/dbraw/zinc/70/36/66/568703666.db2.gz QNEPFYQKQRPZLN-UHFFFAOYSA-N 0 0 421.909 6.598 50 5 HKBARN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)ccc1OCC(C)C ZINC000096222100 569068223 /nfs/dbraw/zinc/06/82/23/569068223.db2.gz PKCOKLCLGFXJSV-UHFFFAOYSA-N 0 0 403.438 5.273 50 5 biogenic HKBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS[C@@H]1c1ccccc1C(F)(F)F ZINC000096274254 568714276 /nfs/dbraw/zinc/71/42/76/568714276.db2.gz UKCKQPAPIILDHI-MRXNPFEDSA-N 0 0 416.808 5.155 50 5 HKBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS[C@H]1c1ccccc1C(F)(F)F ZINC000096274255 568714298 /nfs/dbraw/zinc/71/42/98/568714298.db2.gz UKCKQPAPIILDHI-INIZCTEOSA-N 0 0 416.808 5.155 50 5 HKBARN O=C(C[C@H](CCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc21)NCc1ccco1 ZINC000096275269 568714242 /nfs/dbraw/zinc/71/42/42/568714242.db2.gz TUGCKDVZOIWJIW-SFHVURJKSA-N 0 0 417.465 5.092 50 5 HKBARN O=C(C[C@@H](CCc1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc21)NCc1ccco1 ZINC000096275270 568714307 /nfs/dbraw/zinc/71/43/07/568714307.db2.gz TUGCKDVZOIWJIW-GOSISDBHSA-N 0 0 417.465 5.092 50 5 HKBARN CCc1cccc2c([C@@H](CC(=O)NCc3ccco3)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000096275753 568714618 /nfs/dbraw/zinc/71/46/18/568714618.db2.gz SMSZXFIZNVVLCA-NRFANRHFSA-N 0 0 417.465 5.070 50 5 HKBARN CCc1cccc2c([C@H](CC(=O)NCc3ccco3)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000096275754 568714575 /nfs/dbraw/zinc/71/45/75/568714575.db2.gz SMSZXFIZNVVLCA-OAQYLSRUSA-N 0 0 417.465 5.070 50 5 HKBARN CCc1cccc2c([C@@H](CC(=O)NCc3ccco3)c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000096278163 568716573 /nfs/dbraw/zinc/71/65/73/568716573.db2.gz SLCGVGPUGRSLAN-FQEVSTJZSA-N 0 0 417.465 5.070 50 5 HKBARN CCc1cccc2c([C@H](CC(=O)NCc3ccco3)c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000096278164 568716670 /nfs/dbraw/zinc/71/66/70/568716670.db2.gz SLCGVGPUGRSLAN-HXUWFJFHSA-N 0 0 417.465 5.070 50 5 HKBARN O=[N+]([O-])c1cccc(COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)c1 ZINC000096280656 568718262 /nfs/dbraw/zinc/71/82/62/568718262.db2.gz ROKFSEMLNRUAHN-UHFFFAOYSA-N 0 0 407.813 5.544 50 5 HKBARN O=[N+]([O-])c1ccc(COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)cc1 ZINC000096280657 568718173 /nfs/dbraw/zinc/71/81/73/568718173.db2.gz VQMAZTJWSBHFRW-UHFFFAOYSA-N 0 0 407.813 5.544 50 5 HKBARN O=[N+]([O-])c1cccc(COc2ccc(-c3noc(-c4ccc(F)cc4F)n3)cc2)c1 ZINC000096280704 568718299 /nfs/dbraw/zinc/71/82/99/568718299.db2.gz WNYOCVZWZIBPEV-UHFFFAOYSA-N 0 0 409.348 5.169 50 5 HKBARN Cc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)nc2Sc2ccccc2)cc1 ZINC000096562492 568760447 /nfs/dbraw/zinc/76/04/47/568760447.db2.gz POQVCSZZKKBTAB-UHFFFAOYSA-N 0 0 400.463 5.573 50 5 HKBARN O=C(N[C@@H](c1ccccc1Cl)C(Cl)(Cl)Cl)Oc1cccc([N+](=O)[O-])c1 ZINC000096564220 568760613 /nfs/dbraw/zinc/76/06/13/568760613.db2.gz IKPFVBNFTNUKHD-ZDUSSCGKSA-N 0 0 424.067 5.448 50 5 HKBARN O=C(N[C@H](c1ccccc1Cl)C(Cl)(Cl)Cl)Oc1cccc([N+](=O)[O-])c1 ZINC000096564222 568760812 /nfs/dbraw/zinc/76/08/12/568760812.db2.gz IKPFVBNFTNUKHD-CYBMUJFWSA-N 0 0 424.067 5.448 50 5 HKBARN Cn1cnc([N+](=O)[O-])c1Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000096568908 568760960 /nfs/dbraw/zinc/76/09/60/568760960.db2.gz BPYTYBYOOJGHSL-UHFFFAOYSA-N 0 0 407.493 5.747 50 5 HKBARN CC(=O)Oc1c2ccc3sc4ccccc4c4ccc(c(=O)c1-c1ccccc1)c2c34 ZINC000096576715 568761405 /nfs/dbraw/zinc/76/14/05/568761405.db2.gz GMVPKGUXPLQTNC-UHFFFAOYSA-N 0 0 420.489 6.751 50 5 HKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3C(c3ccccc3)(c3ccccc3)O2)s1 ZINC000096581080 568762441 /nfs/dbraw/zinc/76/24/41/568762441.db2.gz PVZZIHPGDCWHBQ-QHCPKHFHSA-N 0 0 415.470 6.056 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3C(c3ccccc3)(c3ccccc3)O2)s1 ZINC000096581083 568762468 /nfs/dbraw/zinc/76/24/68/568762468.db2.gz PVZZIHPGDCWHBQ-HSZRJFAPSA-N 0 0 415.470 6.056 50 5 HKBARN O=C1S/C(=C\c2c3ccccc3cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000096581850 568762693 /nfs/dbraw/zinc/76/26/93/568762693.db2.gz WKRJJCSJXJOLAT-HMAPJEAMSA-N 0 0 415.901 6.887 50 5 HKBARN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1[N+](=O)[O-] ZINC000096592361 568763289 /nfs/dbraw/zinc/76/32/89/568763289.db2.gz MTPOAICDHYPLHL-UHFFFAOYSA-N 0 0 423.428 6.117 50 5 HKBARN Cc1cc(C)c2c(n1)sc1nc(SCC(=O)Nc3ccccc3)c3cccn3c12 ZINC000096592618 568763352 /nfs/dbraw/zinc/76/33/52/568763352.db2.gz MXJMWXDAUFDCIW-UHFFFAOYSA-N 0 0 418.547 5.445 50 5 HKBARN COc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c2)cc1 ZINC000096593935 568763480 /nfs/dbraw/zinc/76/34/80/568763480.db2.gz HFMTVDVDFCKKDX-NRFANRHFSA-N 0 0 410.857 5.683 50 5 HKBARN COc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c2)cc1 ZINC000096593936 568763456 /nfs/dbraw/zinc/76/34/56/568763456.db2.gz HFMTVDVDFCKKDX-OAQYLSRUSA-N 0 0 410.857 5.683 50 5 HKBARN CC(C)(C)c1cc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(C(C)(C)C)c1O ZINC000096593989 568763430 /nfs/dbraw/zinc/76/34/30/568763430.db2.gz IAUSBLWRLZNSKZ-UHFFFAOYSA-N 0 0 404.894 5.801 50 5 HKBARN O=[N+]([O-])c1ccc(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc1 ZINC000096601888 558980979 /nfs/dbraw/zinc/98/09/79/558980979.db2.gz PRVRHZFYCRJPPY-UHFFFAOYSA-N 0 0 404.489 6.408 50 5 HKBARN O=C(Cc1c(=O)c2ccccc2oc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000096602636 558981860 /nfs/dbraw/zinc/98/18/60/558981860.db2.gz KPCRLDUGSCWHRN-UHFFFAOYSA-N 0 0 419.820 5.447 50 5 HKBARN Cc1cc2c3nc4ccccc4nc3n(CCOc3ccccc3Cl)c2c(C)c1 ZINC000097142197 558997020 /nfs/dbraw/zinc/99/70/20/558997020.db2.gz YHBIDSXXNIKZID-UHFFFAOYSA-N 0 0 401.897 6.087 50 5 HKBARN Clc1ccc(-c2cc(/C=C/C=C\c3ccccc3)c3c(ccc4ccccc43)n2)cc1 ZINC000097384929 557771577 /nfs/dbraw/zinc/77/15/77/557771577.db2.gz CRYILSKWOHGJMU-JUIRWTBGSA-N 0 0 417.939 8.435 50 5 HKBARN Cc1ccc2c(c1)N(C/C=C\c1ccccc1)c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2 ZINC000097410653 557799439 /nfs/dbraw/zinc/79/94/39/557799439.db2.gz ADRXAFCGXMKQML-YVMONPNESA-N 0 0 403.394 5.769 50 5 HKBARN O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000097550667 557823036 /nfs/dbraw/zinc/82/30/36/557823036.db2.gz SVFKNPSIBBJAAI-UHFFFAOYSA-N 0 0 416.264 5.766 50 5 HKBARN COC(=O)c1c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)scc1-c1cccc(C)c1 ZINC000097653609 557843017 /nfs/dbraw/zinc/84/30/17/557843017.db2.gz RYZFIIWGTAMQIQ-FLIBITNWSA-N 0 0 422.462 5.070 50 5 HKBARN O=C(Nc1ccc(Br)cc1[N+](=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000098087260 559065410 /nfs/dbraw/zinc/06/54/10/559065410.db2.gz FJMYNDRLMCCVLN-UHFFFAOYSA-N 0 0 409.239 5.108 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000100045982 559116403 /nfs/dbraw/zinc/11/64/03/559116403.db2.gz TVWVSNIBSNCZTL-FRKPEAEDSA-N 0 0 423.768 5.634 50 5 HKBARN COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2[nH]1 ZINC000100290443 559193004 /nfs/dbraw/zinc/19/30/04/559193004.db2.gz SCAREMYRAUTYBK-RWEWTDSWSA-N 0 0 412.405 5.125 50 5 HKBARN COc1cc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc(Br)c1O ZINC000100439704 559135345 /nfs/dbraw/zinc/13/53/45/559135345.db2.gz WIURZNLQZLJERM-UHFFFAOYSA-N 0 0 420.306 6.020 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000100480497 559208842 /nfs/dbraw/zinc/20/88/42/559208842.db2.gz LWHSKVBLLOKZGT-CHHVJCJISA-N 0 0 423.768 5.634 50 5 HKBARN Cc1cccc2oc3cc(Nc4ccccc4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 ZINC000100574274 559230713 /nfs/dbraw/zinc/23/07/13/559230713.db2.gz QAGWVKLGZZIWSV-UHFFFAOYSA-N 0 0 418.452 5.993 50 5 HKBARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 ZINC000100632935 559247538 /nfs/dbraw/zinc/24/75/38/559247538.db2.gz FCHOKNWZSCXLED-QKFKETGDSA-N 0 0 419.412 5.956 50 5 HKBARN O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 ZINC000100632936 559247568 /nfs/dbraw/zinc/24/75/68/559247568.db2.gz FCHOKNWZSCXLED-FATZIPQQSA-N 0 0 419.412 5.956 50 5 HKBARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 ZINC000100632938 559247569 /nfs/dbraw/zinc/24/75/69/559247569.db2.gz FCHOKNWZSCXLED-LFVRLGFBSA-N 0 0 419.412 5.956 50 5 HKBARN O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1N2 ZINC000100632939 559247545 /nfs/dbraw/zinc/24/75/45/559247545.db2.gz FCHOKNWZSCXLED-PSLXWICFSA-N 0 0 419.412 5.956 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000100702343 559257372 /nfs/dbraw/zinc/25/73/72/559257372.db2.gz WETZNLGDQIQARW-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100702400 569359199 /nfs/dbraw/zinc/35/91/99/569359199.db2.gz QQCNZTAIKMONRS-GMAHTHKFSA-N 0 0 419.868 5.799 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100702401 569359165 /nfs/dbraw/zinc/35/91/65/569359165.db2.gz QQCNZTAIKMONRS-GGAORHGYSA-N 0 0 419.868 5.799 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000100702439 559257348 /nfs/dbraw/zinc/25/73/48/559257348.db2.gz BTFCWGLJHSQQSI-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000100702443 559257337 /nfs/dbraw/zinc/25/73/37/559257337.db2.gz CPHXNEOTEMTONU-UNMCSNQZSA-N 0 0 405.841 5.491 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000100702630 559257389 /nfs/dbraw/zinc/25/73/89/559257389.db2.gz YCSGGGIOGLJDON-GMAHTHKFSA-N 0 0 419.868 5.799 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000100702633 559257356 /nfs/dbraw/zinc/25/73/56/559257356.db2.gz YCSGGGIOGLJDON-GGAORHGYSA-N 0 0 419.868 5.799 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000100708120 559258078 /nfs/dbraw/zinc/25/80/78/559258078.db2.gz GKGSSGLMQKJWKT-PXNSSMCTSA-N 0 0 411.870 5.552 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000100708372 559258059 /nfs/dbraw/zinc/25/80/59/559258059.db2.gz PATZBKAAFSVLEB-GMAHTHKFSA-N 0 0 419.868 5.799 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000100720458 559259776 /nfs/dbraw/zinc/25/97/76/559259776.db2.gz RSLPEUCUWMNWHO-IRLDBZIGSA-N 0 0 423.831 5.630 50 5 HKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 ZINC000100720534 559259779 /nfs/dbraw/zinc/25/97/79/559259779.db2.gz PQXSGEFRIIEIGJ-IRLDBZIGSA-N 0 0 423.831 5.630 50 5 HKBARN O=c1c2ccccc2c2nc3ccccc3[nH]c-2c1-c1ccc(Br)cc1 ZINC000100742184 559261376 /nfs/dbraw/zinc/26/13/76/559261376.db2.gz LYTFXYAJHISCAN-UHFFFAOYSA-N 0 0 401.263 5.611 50 5 biogenic HKBARN Fc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000100813968 559269172 /nfs/dbraw/zinc/26/91/72/559269172.db2.gz SQSOWGTXPBRVIE-SGEDCAFJSA-N 0 0 405.432 6.501 50 5 HKBARN COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000100816544 559269252 /nfs/dbraw/zinc/26/92/52/559269252.db2.gz ZBZPDNPHPYLOJP-DEOSSOPVSA-N 0 0 419.433 5.523 50 5 HKBARN COc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000100816546 559269240 /nfs/dbraw/zinc/26/92/40/559269240.db2.gz ZBZPDNPHPYLOJP-XMMPIXPASA-N 0 0 419.433 5.523 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H](O)Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 ZINC000100840976 560759746 /nfs/dbraw/zinc/75/97/46/560759746.db2.gz LIEFKALAPHUTRD-ACOCPHQRSA-N 0 0 417.490 5.091 50 5 HKBARN O=[N+]([O-])c1ccc([C@H](O)Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 ZINC000100840977 560759773 /nfs/dbraw/zinc/75/97/73/560759773.db2.gz LIEFKALAPHUTRD-PDWGEAQMSA-N 0 0 417.490 5.091 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000100874050 560761366 /nfs/dbraw/zinc/76/13/66/560761366.db2.gz TVWVSNIBSNCZTL-APSNUPSMSA-N 0 0 423.768 5.634 50 5 HKBARN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000101095357 560785510 /nfs/dbraw/zinc/78/55/10/560785510.db2.gz JQRVVDNPVCXSFF-UHFFFAOYSA-N 0 0 422.441 5.090 50 5 HKBARN O=[N+]([O-])c1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\Cc2cccnc2)cc1 ZINC000101137357 560788297 /nfs/dbraw/zinc/78/82/97/560788297.db2.gz KDSISIIAQYJDQY-FLFQWRMESA-N 0 0 422.897 5.263 50 5 HKBARN COc1ccc(-c2cs/c(=N\c3cc(C)ccn3)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101137369 560788320 /nfs/dbraw/zinc/78/83/20/560788320.db2.gz ZAXNCKOWOPSEMQ-GYHWCHFESA-N 0 0 418.478 5.058 50 5 HKBARN COc1ccc(NC=Cc2c([N+](=O)[O-])c3ccc(O)cc3n2-c2ccc(C)cc2)cc1 ZINC000101155749 560787113 /nfs/dbraw/zinc/78/71/13/560787113.db2.gz JWIXHXMPUKXBSN-BUHFOSPRSA-N 0 0 415.449 5.644 50 5 HKBARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000101192601 560789216 /nfs/dbraw/zinc/78/92/16/560789216.db2.gz XNKWRPYXIUFOQR-UHFFFAOYSA-N 0 0 408.460 5.151 50 5 HKBARN Cc1ccc(C2=Nc3cc(-c4ccc([N+](=O)[O-])cc4)nn3[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101290964 560790883 /nfs/dbraw/zinc/79/08/83/560790883.db2.gz VZRKVLSTXYBYAP-VWLOTQADSA-N 0 0 422.488 6.131 50 5 HKBARN Cc1ccc(C2=Nc3cc(-c4ccc([N+](=O)[O-])cc4)nn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101290968 560790855 /nfs/dbraw/zinc/79/08/55/560790855.db2.gz VZRKVLSTXYBYAP-RUZDIDTESA-N 0 0 422.488 6.131 50 5 HKBARN O=C(Nc1oc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000101317228 560791584 /nfs/dbraw/zinc/79/15/84/560791584.db2.gz AWEHHHDXDDYKEO-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000101317376 560791586 /nfs/dbraw/zinc/79/15/86/560791586.db2.gz MRAAKQXNNZJZKX-UHFFFAOYSA-N 0 0 402.431 5.089 50 5 HKBARN O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000101320347 560791631 /nfs/dbraw/zinc/79/16/31/560791631.db2.gz CVYQXNWSVDNYHU-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000101321113 560791766 /nfs/dbraw/zinc/79/17/66/560791766.db2.gz KUAIFHNVYGPANJ-UHFFFAOYSA-N 0 0 420.421 5.228 50 5 HKBARN Cc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)sc3ccccc3c2=O)cc1 ZINC000101330901 560791938 /nfs/dbraw/zinc/79/19/38/560791938.db2.gz WMXOCQNUISPMAN-UHFFFAOYSA-N 0 0 416.458 5.397 50 5 HKBARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101331400 560791955 /nfs/dbraw/zinc/79/19/55/560791955.db2.gz FBRUVQUEQRLSEW-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000101336326 560792047 /nfs/dbraw/zinc/79/20/47/560792047.db2.gz BGYKJRKXDSQEOH-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000101338779 560792039 /nfs/dbraw/zinc/79/20/39/560792039.db2.gz QXKXPJKAULYFCV-UHFFFAOYSA-N 0 0 402.431 5.089 50 5 HKBARN O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000101340323 560793081 /nfs/dbraw/zinc/79/30/81/560793081.db2.gz FXEYCSUBVRPCNW-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN Cc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3ccccc3c2=O)cc1 ZINC000101341467 560793112 /nfs/dbraw/zinc/79/31/12/560793112.db2.gz GZLGQCNXJGLMOU-UHFFFAOYSA-N 0 0 416.458 5.397 50 5 HKBARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000101344795 560793135 /nfs/dbraw/zinc/79/31/35/560793135.db2.gz LJZWQIMPNTYKMS-UHFFFAOYSA-N 0 0 420.421 5.228 50 5 HKBARN O=C(Nc1oc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000101345626 560793114 /nfs/dbraw/zinc/79/31/14/560793114.db2.gz FNBWALFFAWMJQT-UHFFFAOYSA-N 0 0 420.808 5.274 50 5 HKBARN Cc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)sc3ccccc3c2=O)c1 ZINC000101351183 560793370 /nfs/dbraw/zinc/79/33/70/560793370.db2.gz FDWTWAVIPOTEFV-UHFFFAOYSA-N 0 0 416.458 5.397 50 5 HKBARN O=C(Nc1sc2ccccc2c(=O)c1-c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000101358816 560792462 /nfs/dbraw/zinc/79/24/62/560792462.db2.gz VLENBIPVUNVAJI-UHFFFAOYSA-N 0 0 408.460 5.151 50 5 HKBARN Cc1cccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3ccccc3c2=O)c1 ZINC000101360000 560792560 /nfs/dbraw/zinc/79/25/60/560792560.db2.gz RRNQHZYKILXIMH-UHFFFAOYSA-N 0 0 416.458 5.397 50 5 HKBARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000101361540 560792677 /nfs/dbraw/zinc/79/26/77/560792677.db2.gz XCFZQISFVJEJMU-UHFFFAOYSA-N 0 0 420.421 5.228 50 5 HKBARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101364487 560792814 /nfs/dbraw/zinc/79/28/14/560792814.db2.gz CKBZJGZALOBPQT-UHFFFAOYSA-N 0 0 420.421 5.228 50 5 HKBARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000101420767 560794847 /nfs/dbraw/zinc/79/48/47/560794847.db2.gz BGJGURXWXPSEAJ-FQEVSTJZSA-N 0 0 411.483 5.469 50 5 HKBARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000101420771 560794838 /nfs/dbraw/zinc/79/48/38/560794838.db2.gz BGJGURXWXPSEAJ-HXUWFJFHSA-N 0 0 411.483 5.469 50 5 HKBARN O=c1oc2ccccc2c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(ccc3ccccc31)N2 ZINC000101787634 560801406 /nfs/dbraw/zinc/80/14/06/560801406.db2.gz ZPMWXEGOXHNGNP-QFIPXVFZSA-N 0 0 420.424 6.092 50 5 HKBARN O=c1oc2ccccc2c2c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(ccc3ccccc31)N2 ZINC000101787639 560801374 /nfs/dbraw/zinc/80/13/74/560801374.db2.gz ZPMWXEGOXHNGNP-JOCHJYFZSA-N 0 0 420.424 6.092 50 5 HKBARN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000101886626 560804293 /nfs/dbraw/zinc/80/42/93/560804293.db2.gz SBALVROVXCEBIK-COPCDDAFSA-N 0 0 410.395 6.085 50 5 HKBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2ccccc2Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000101915832 560803905 /nfs/dbraw/zinc/80/39/05/560803905.db2.gz XSOZWNHUSYLHOD-UHFFFAOYSA-N 0 0 412.383 5.306 50 5 HKBARN O=[N+]([O-])c1ccc(SC(c2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1 ZINC000102140450 560808137 /nfs/dbraw/zinc/80/81/37/560808137.db2.gz GDLMSMFOHYAJSX-UHFFFAOYSA-N 0 0 401.451 5.427 50 5 HKBARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102486405 560811807 /nfs/dbraw/zinc/81/18/07/560811807.db2.gz CFFSLJFAGXYOKC-QFIPXVFZSA-N 0 0 405.454 5.407 50 5 HKBARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102486411 560811935 /nfs/dbraw/zinc/81/19/35/560811935.db2.gz CFFSLJFAGXYOKC-JOCHJYFZSA-N 0 0 405.454 5.407 50 5 HKBARN COc1ccc(NC=Cc2c([N+](=O)[O-])c3ccc(O)cc3n2-c2ccc(C)cc2)cc1 ZINC000102561211 560816495 /nfs/dbraw/zinc/81/64/95/560816495.db2.gz JWIXHXMPUKXBSN-YPKPFQOOSA-N 0 0 415.449 5.644 50 5 HKBARN C[C@@H]1CC(=O)N(c2ccc(Nc3ccc(Oc4ccccc4)cc3)c([N+](=O)[O-])c2)C1=O ZINC000102603550 560817755 /nfs/dbraw/zinc/81/77/55/560817755.db2.gz DKIOGPKDQZAAPQ-OAHLLOKOSA-N 0 0 417.421 5.030 50 5 HKBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CCCCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102642511 560819727 /nfs/dbraw/zinc/81/97/27/560819727.db2.gz YLOFIZBXLKOTKR-AYOQOUSVSA-N 0 0 413.518 5.045 50 5 HKBARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cc([N+](=O)[O-])ccc3Cl)C12 ZINC000102667401 560819490 /nfs/dbraw/zinc/81/94/90/560819490.db2.gz BCNDJSDNWNHVQG-JOCHJYFZSA-N 0 0 420.877 6.499 50 5 HKBARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cc([N+](=O)[O-])ccc3Cl)C12 ZINC000102667405 560819485 /nfs/dbraw/zinc/81/94/85/560819485.db2.gz BCNDJSDNWNHVQG-QFIPXVFZSA-N 0 0 420.877 6.499 50 5 HKBARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000102705911 560820662 /nfs/dbraw/zinc/82/06/62/560820662.db2.gz UTKFUIIFATUTQO-NRFANRHFSA-N 0 0 409.442 5.390 50 5 HKBARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000102705913 560820631 /nfs/dbraw/zinc/82/06/31/560820631.db2.gz UTKFUIIFATUTQO-OAQYLSRUSA-N 0 0 409.442 5.390 50 5 HKBARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102788360 560827618 /nfs/dbraw/zinc/82/76/18/560827618.db2.gz YQTYNYSWMPCFQK-QHCPKHFHSA-N 0 0 419.481 5.797 50 5 HKBARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102788364 560827612 /nfs/dbraw/zinc/82/76/12/560827612.db2.gz YQTYNYSWMPCFQK-HSZRJFAPSA-N 0 0 419.481 5.797 50 5 HKBARN O=[N+]([O-])c1cccc(C2=CSC3=NN=C(c4ccccc4)[C@@H](c4ccccc4)N23)c1 ZINC000102821712 560829504 /nfs/dbraw/zinc/82/95/04/560829504.db2.gz UBPOYUSQLBLECJ-JOCHJYFZSA-N 0 0 412.474 5.457 50 5 HKBARN O=[N+]([O-])c1cccc(C2=CSC3=NN=C(c4ccccc4)[C@H](c4ccccc4)N23)c1 ZINC000102821714 560829514 /nfs/dbraw/zinc/82/95/14/560829514.db2.gz UBPOYUSQLBLECJ-QFIPXVFZSA-N 0 0 412.474 5.457 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)o1 ZINC000102873307 560830288 /nfs/dbraw/zinc/83/02/88/560830288.db2.gz BJGQAAKCHVQAQC-RXVVDRJESA-N 0 0 409.829 5.392 50 5 HKBARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1c2ccccc2cc2ccccc21 ZINC000102930963 560835405 /nfs/dbraw/zinc/83/54/05/560835405.db2.gz TUNCBNFBUMANIJ-NDEPHWFRSA-N 0 0 418.540 7.864 50 5 HKBARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1c2ccccc2cc2ccccc21 ZINC000102930965 560835394 /nfs/dbraw/zinc/83/53/94/560835394.db2.gz TUNCBNFBUMANIJ-MUUNZHRXSA-N 0 0 418.540 7.864 50 5 HKBARN Cc1ccc2[nH]c3c(cc(NC4CCCCC4)c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000102967655 559153926 /nfs/dbraw/zinc/15/39/26/559153926.db2.gz FLNPWQWRAKAUKE-UHFFFAOYSA-N 0 0 424.500 5.994 50 5 HKBARN O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000103114771 560837988 /nfs/dbraw/zinc/83/79/88/560837988.db2.gz DVVOTUXKOYRRNA-HRQSHJORSA-N 0 0 417.509 5.448 50 5 HKBARN O=c1c(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)cc2[nH]c3ccccc3n21 ZINC000103243135 560840487 /nfs/dbraw/zinc/84/04/87/560840487.db2.gz WXBGUDNKFBKZJL-UHFFFAOYSA-N 0 0 415.836 5.676 50 5 HKBARN CC(C)c1cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)C)c1O ZINC000104208651 571317887 /nfs/dbraw/zinc/31/78/87/571317887.db2.gz RIHFBLSQRBMSNP-UHFFFAOYSA-N 0 0 404.379 5.107 50 5 HKBARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000104793340 560854952 /nfs/dbraw/zinc/85/49/52/560854952.db2.gz KWVCULNHIJNMJK-QWQRMKEZSA-N 0 0 402.491 5.440 50 5 HKBARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000104793345 560855025 /nfs/dbraw/zinc/85/50/25/560855025.db2.gz KWVCULNHIJNMJK-GLJUWKHASA-N 0 0 402.491 5.440 50 5 HKBARN COc1ccc(/N=c2\cc(-c3ccc(N(C)C)c([N+](=O)[O-])c3)oc3ccccc32)cc1 ZINC000105978522 560877968 /nfs/dbraw/zinc/87/79/68/560877968.db2.gz LWYUXERGXHZWNF-LKUDQCMESA-N 0 0 415.449 5.315 50 5 HKBARN C(=C\c1cc2ccccc2c2ccccc12)\c1ccc2cccc(-c3ccccc3)c2c1 ZINC000109251262 568421142 /nfs/dbraw/zinc/42/11/42/568421142.db2.gz QMEGMMWGONDTJB-ZZEZOPTASA-N 0 0 406.528 8.984 50 5 HKBARN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000109486828 568425244 /nfs/dbraw/zinc/42/52/44/568425244.db2.gz BOFFDQSHZUEKOT-UHFFFAOYSA-N 0 0 422.440 5.745 50 5 HKBARN O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000169618151 569103852 /nfs/dbraw/zinc/10/38/52/569103852.db2.gz YFOBTKXZAUPGEA-IRLDBZIGSA-N 0 0 405.841 5.491 50 5 HKBARN O=C(CCn1c2ccccc2c2nc3ccccc3nc21)NCc1ccc(Cl)cc1 ZINC000170567175 569240131 /nfs/dbraw/zinc/24/01/31/569240131.db2.gz YVGORLZXKCYZAE-UHFFFAOYSA-N 0 0 414.896 5.098 50 5 HKBARN COc1cccc(-c2nc(CSc3ccc([N+](=O)[O-])cc3F)cs2)c1OC ZINC000170597152 569241979 /nfs/dbraw/zinc/24/19/79/569241979.db2.gz ZEIKCQSONHYAEO-UHFFFAOYSA-N 0 0 406.460 5.167 50 5 HKBARN COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(n2)sc2c3CCC2)c([N+](=O)[O-])c1 ZINC000170613686 569246768 /nfs/dbraw/zinc/24/67/68/569246768.db2.gz AKQJANZBVHFGOR-UHFFFAOYSA-N 0 0 416.502 6.344 50 5 HKBARN C[C@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc2ccccc2c1 ZINC000170618512 569247971 /nfs/dbraw/zinc/24/79/71/569247971.db2.gz KYLBBJCPBJAVNJ-AWEZNQCLSA-N 0 0 420.856 5.120 50 5 HKBARN C[C@@H](Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccc2ccccc2c1 ZINC000170618514 569247931 /nfs/dbraw/zinc/24/79/31/569247931.db2.gz KYLBBJCPBJAVNJ-CQSZACIVSA-N 0 0 420.856 5.120 50 5 HKBARN COC(=O)CCCCCCCCC(=O)c1cc2cccc3ccc4cccc1c4c32 ZINC000170626174 569250385 /nfs/dbraw/zinc/25/03/85/569250385.db2.gz LJWGGNFKEOJEHW-UHFFFAOYSA-N 0 0 400.518 7.061 50 5 HKBARN Cc1ccc(NC(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)cc1[N+](=O)[O-] ZINC000170627115 569250277 /nfs/dbraw/zinc/25/02/77/569250277.db2.gz VSMLTPNWERTDSH-UHFFFAOYSA-N 0 0 406.364 5.105 50 5 HKBARN CC(C)CCSc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000195608772 569312301 /nfs/dbraw/zinc/31/23/01/569312301.db2.gz XFEXIEVUZLXNEG-AWEZNQCLSA-N 0 0 402.520 5.153 50 5 HKBARN CC(C)CCSc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000195608773 569312297 /nfs/dbraw/zinc/31/22/97/569312297.db2.gz XFEXIEVUZLXNEG-CQSZACIVSA-N 0 0 402.520 5.153 50 5 HKBARN CCC(=O)Oc1cn(-c2cc(C)cc(C)c2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000195777983 521234120 /nfs/dbraw/zinc/23/41/20/521234120.db2.gz ZWWICMBHNXOHML-UHFFFAOYSA-N 0 0 412.493 5.321 50 5 HKBARN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000211030923 568756300 /nfs/dbraw/zinc/75/63/00/568756300.db2.gz WKRJJCSJXJOLAT-HYARGMPZSA-N 0 0 415.901 6.887 50 5 HKBARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000216147304 568817925 /nfs/dbraw/zinc/81/79/25/568817925.db2.gz XPIBSSHOTNSFOU-LADGPHEKSA-N 0 0 415.449 5.236 50 5 HKBARN CCOc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc([N+](=O)[O-])cc1)O2 ZINC000216147352 568817954 /nfs/dbraw/zinc/81/79/54/568817954.db2.gz GXUDIOOBPKWLQF-LADGPHEKSA-N 0 0 415.449 5.236 50 5 HKBARN C[C@@H]1CC(C)(C)/C(=C\c2ccc([N+](=O)[O-])cc2)C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]21 ZINC000216565231 569013307 /nfs/dbraw/zinc/01/33/07/569013307.db2.gz OLKVAOFEXNVLEV-UWIGTPKISA-N 0 0 420.469 5.269 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2O[C@H](c3ccccc3)C[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000226761566 568823747 /nfs/dbraw/zinc/82/37/47/568823747.db2.gz YJASYVLTQWVUMA-FDFHNCONSA-N 0 0 406.394 5.421 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2O[C@@H](c3ccccc3)C[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000226761575 568823676 /nfs/dbraw/zinc/82/36/76/568823676.db2.gz YJASYVLTQWVUMA-BHIFYINESA-N 0 0 406.394 5.421 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2C[C@H](c3ccccc3)O[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000230107172 568844444 /nfs/dbraw/zinc/84/44/44/568844444.db2.gz YJASYVLTQWVUMA-FSSWDIPSSA-N 0 0 406.394 5.421 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H]2C[C@@H](c3ccccc3)O[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000230107184 568844418 /nfs/dbraw/zinc/84/44/18/568844418.db2.gz YJASYVLTQWVUMA-FKBYEOEOSA-N 0 0 406.394 5.421 50 5 HKBARN COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)c1OC ZINC000244774049 524130661 /nfs/dbraw/zinc/13/06/61/524130661.db2.gz PNBNHGJYKZFIDF-OIBXWCBGSA-N 0 0 402.450 5.083 50 5 HKBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NC4CCCCCCC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343742 571226237 /nfs/dbraw/zinc/22/62/37/571226237.db2.gz YLOFIZBXLKOTKR-LZQZEXGQSA-N 0 0 413.518 5.045 50 5 HKBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CCCCCCC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343743 571226267 /nfs/dbraw/zinc/22/62/67/571226267.db2.gz YLOFIZBXLKOTKR-MNEFBYGVSA-N 0 0 413.518 5.045 50 5 HKBARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000248054233 559260603 /nfs/dbraw/zinc/26/06/03/559260603.db2.gz BJEXLVGXUTUTAB-OFNKIYASSA-N 0 0 419.868 5.799 50 5 HKBARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000248054235 559260601 /nfs/dbraw/zinc/26/06/01/559260601.db2.gz BJEXLVGXUTUTAB-REWPJTCUSA-N 0 0 419.868 5.799 50 5 HKBARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)[C@H]1C ZINC000248110934 559262588 /nfs/dbraw/zinc/26/25/88/559262588.db2.gz QRUHLLDNFCFIAA-KEYYUXOJSA-N 0 0 404.539 5.253 50 5 HKBARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000248379228 568917269 /nfs/dbraw/zinc/91/72/69/568917269.db2.gz MDRIKOSRVHMDLU-UPVQGACJSA-N 0 0 415.449 5.236 50 5 HKBARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000248379229 568917168 /nfs/dbraw/zinc/91/71/68/568917168.db2.gz MDRIKOSRVHMDLU-VWNXMTODSA-N 0 0 415.449 5.236 50 5 HKBARN Cc1ccc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NN2C(=S)Nc2ccccc2)cc1 ZINC000252497954 569290946 /nfs/dbraw/zinc/29/09/46/569290946.db2.gz QRXDTNLLXUBVDC-JOCHJYFZSA-N 0 0 416.506 5.451 50 5 HKBARN Cc1ccc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NN2C(=S)Nc2ccccc2)cc1 ZINC000252497955 569291014 /nfs/dbraw/zinc/29/10/14/569291014.db2.gz QRXDTNLLXUBVDC-QFIPXVFZSA-N 0 0 416.506 5.451 50 5 HKBARN CCC1(CC)O[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)Nc2ccccc21 ZINC000252498366 569290939 /nfs/dbraw/zinc/29/09/39/569290939.db2.gz RABVCFLKINLDAN-NRFANRHFSA-N 0 0 412.873 6.664 50 5 HKBARN CCC1(CC)O[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)Nc2ccccc21 ZINC000252498367 569290998 /nfs/dbraw/zinc/29/09/98/569290998.db2.gz RABVCFLKINLDAN-OAQYLSRUSA-N 0 0 412.873 6.664 50 5 HKBARN Cc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccccc3[N+](=O)[O-])C2)c1 ZINC000252506316 569291258 /nfs/dbraw/zinc/29/12/58/569291258.db2.gz VYZVIQXZDLFCOM-JOCHJYFZSA-N 0 0 419.868 5.548 50 5 HKBARN Cc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccccc3[N+](=O)[O-])C2)c1 ZINC000252506317 569291317 /nfs/dbraw/zinc/29/13/17/569291317.db2.gz VYZVIQXZDLFCOM-QFIPXVFZSA-N 0 0 419.868 5.548 50 5 HKBARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)[C@@H]2O ZINC000252510854 569291709 /nfs/dbraw/zinc/29/17/09/569291709.db2.gz CHCOIPAZGMXLFP-ODHTVOOQSA-N 0 0 423.553 5.273 50 5 HKBARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)[C@H]2O ZINC000252510856 569291615 /nfs/dbraw/zinc/29/16/15/569291615.db2.gz CHCOIPAZGMXLFP-SEHSWCOWSA-N 0 0 423.553 5.273 50 5 HKBARN Oc1ccc(N=c2oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000252617356 569301546 /nfs/dbraw/zinc/30/15/46/569301546.db2.gz KRBKYHHPGAOXSP-UHFFFAOYSA-N 0 0 403.441 6.067 50 5 HKBARN Oc1cccc(N=c2oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)c1 ZINC000252628885 569311415 /nfs/dbraw/zinc/31/14/15/569311415.db2.gz TTXAUVPZPZXLDT-UHFFFAOYSA-N 0 0 420.493 6.801 50 5 HKBARN O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@H]4C[C@H]([C@H]5[C@@H]4C5(c4ccccc4)c4ccccc4)[C@@H]32)cc1 ZINC000252640967 569318674 /nfs/dbraw/zinc/31/86/74/569318674.db2.gz YYOMHMRADCDCSM-LNOKEBROSA-N 0 0 422.488 5.401 50 5 HKBARN Cc1ccc(N=c2oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1C ZINC000252667987 569319175 /nfs/dbraw/zinc/31/91/75/569319175.db2.gz DQOOFZAIRZCZOI-UHFFFAOYSA-N 0 0 415.496 6.979 50 5 HKBARN Cc1ccc(N=c2scc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000252668852 569319121 /nfs/dbraw/zinc/31/91/21/569319121.db2.gz FTSORAJKURZLHL-UHFFFAOYSA-N 0 0 401.491 5.963 50 5 HKBARN CC(=O)NC(=O)c1cc2c(ccc3ccccc32)oc1=Nc1cccc2ccccc21 ZINC000252669099 569319115 /nfs/dbraw/zinc/31/91/15/569319115.db2.gz GMDCSAJBDZCULP-UHFFFAOYSA-N 0 0 406.441 5.248 50 5 HKBARN Cc1cccc(N=c2scc(-c3ccc([N+](=O)[O-])cc3)n2-c2cccc(C)c2)c1 ZINC000252669571 569319252 /nfs/dbraw/zinc/31/92/52/569319252.db2.gz HYEUMCWBYNLBJR-UHFFFAOYSA-N 0 0 401.491 5.963 50 5 HKBARN O=[N+]([O-])c1ccc(-c2csc(=Nc3ccc(F)cc3)n2CCCCCCO)cc1 ZINC000252673118 571048529 /nfs/dbraw/zinc/04/85/29/571048529.db2.gz QYLHWQSXKJDCTB-UHFFFAOYSA-N 0 0 415.490 5.049 50 5 HKBARN O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N(Cc1ccco1)Cc1cccs1 ZINC000253417975 569367455 /nfs/dbraw/zinc/36/74/55/569367455.db2.gz AEDFKGGDZHLWLD-UHFFFAOYSA-N 0 0 419.462 5.154 50 5 HKBARN O=C(Nc1ccc2oc(SCc3ccccc3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000253421684 569367936 /nfs/dbraw/zinc/36/79/36/569367936.db2.gz BTEFSDNUIRKXHZ-UHFFFAOYSA-N 0 0 405.435 5.281 50 5 HKBARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)[C@@H]2O ZINC000253498511 525913882 /nfs/dbraw/zinc/91/38/82/525913882.db2.gz CHCOIPAZGMXLFP-COLHWLQKSA-N 0 0 423.553 5.273 50 5 HKBARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc([N+](=O)[O-])cc1)[C@H]2O ZINC000253498512 569381896 /nfs/dbraw/zinc/38/18/96/569381896.db2.gz CHCOIPAZGMXLFP-XXRNYFGOSA-N 0 0 423.553 5.273 50 5 HKBARN O=[N+]([O-])c1ccc([C@H](O)Cn2c(-c3ccccc3)csc2=Nc2ccccc2)cc1 ZINC000254706122 569374948 /nfs/dbraw/zinc/37/49/48/569374948.db2.gz LIEFKALAPHUTRD-JOCHJYFZSA-N 0 0 417.490 5.091 50 5 HKBARN O=[N+]([O-])c1ccc([C@@H](O)Cn2c(-c3ccccc3)csc2=Nc2ccccc2)cc1 ZINC000254706123 569374912 /nfs/dbraw/zinc/37/49/12/569374912.db2.gz LIEFKALAPHUTRD-QFIPXVFZSA-N 0 0 417.490 5.091 50 5 HKBARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H]([N+](=O)[O-])C4=CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257349034 559209943 /nfs/dbraw/zinc/20/99/43/559209943.db2.gz KZOROHLNHZDSDQ-FQRHOHSCSA-N 0 0 415.662 7.673 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H]([N+](=O)[O-])C4=CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257349035 559209960 /nfs/dbraw/zinc/20/99/60/559209960.db2.gz KZOROHLNHZDSDQ-GIBNITEASA-N 0 0 415.662 7.673 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H]([N+](=O)[O-])C4=CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257349036 559210006 /nfs/dbraw/zinc/21/00/06/559210006.db2.gz KZOROHLNHZDSDQ-JJTVRROESA-N 0 0 415.662 7.673 50 5 HKBARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H]([N+](=O)[O-])C4=CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257349037 559209976 /nfs/dbraw/zinc/20/99/76/559209976.db2.gz KZOROHLNHZDSDQ-NJTHWEHTSA-N 0 0 415.662 7.673 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H]([N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257349313 559210237 /nfs/dbraw/zinc/21/02/37/559210237.db2.gz NHECHQMMDZKMNO-IMOWXYLUSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H]([N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@]21C ZINC000257349314 559210316 /nfs/dbraw/zinc/21/03/16/559210316.db2.gz NHECHQMMDZKMNO-JLLCDCETSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H]([N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257349315 559210303 /nfs/dbraw/zinc/21/03/03/559210303.db2.gz NHECHQMMDZKMNO-POBUXQGNSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@H]([N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257349316 559210304 /nfs/dbraw/zinc/21/03/04/559210304.db2.gz NHECHQMMDZKMNO-WYEAUNGNSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H]([N+](=O)[O-])C[C@H]4CCCC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000257350088 559210308 /nfs/dbraw/zinc/21/03/08/559210308.db2.gz UQWCJXNIONKBDI-FFQXAHPJSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H]([N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350089 559210372 /nfs/dbraw/zinc/21/03/72/559210372.db2.gz UQWCJXNIONKBDI-GNANUMMHSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H]([N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]21C ZINC000257350090 559210388 /nfs/dbraw/zinc/21/03/88/559210388.db2.gz UQWCJXNIONKBDI-JLWLVMJVSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H]([N+](=O)[O-])C[C@H]4CCCC[C@@]4(C)[C@H]3CC[C@]21C ZINC000257350091 559210416 /nfs/dbraw/zinc/21/04/16/559210416.db2.gz UQWCJXNIONKBDI-QVCFGDLGSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257350334 559210400 /nfs/dbraw/zinc/21/04/00/559210400.db2.gz WKFAGPFCQLHAGP-CNCXHYKDSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]21C ZINC000257350335 559210403 /nfs/dbraw/zinc/21/04/03/559210403.db2.gz WKFAGPFCQLHAGP-HUQBXZINSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350336 559210422 /nfs/dbraw/zinc/21/04/22/559210422.db2.gz WKFAGPFCQLHAGP-RFBYBFSHSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257350337 559210393 /nfs/dbraw/zinc/21/03/93/559210393.db2.gz WKFAGPFCQLHAGP-UHPBQFPBSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257356602 559212987 /nfs/dbraw/zinc/21/29/87/559212987.db2.gz JFVDCZHPKBHYJV-CORLHBGESA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257356603 559212977 /nfs/dbraw/zinc/21/29/77/559212977.db2.gz JFVDCZHPKBHYJV-ITGQVJGJSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257356604 559212992 /nfs/dbraw/zinc/21/29/92/559212992.db2.gz JFVDCZHPKBHYJV-NBLJHDFYSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257356605 559213073 /nfs/dbraw/zinc/21/30/73/559213073.db2.gz JFVDCZHPKBHYJV-YMABTKLLSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H]([N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257358467 559213071 /nfs/dbraw/zinc/21/30/71/559213071.db2.gz UQWCJXNIONKBDI-LCAYBOENSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H]([N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]21C ZINC000257358468 559213020 /nfs/dbraw/zinc/21/30/20/559213020.db2.gz UQWCJXNIONKBDI-RERLQOTMSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H]([N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257358469 559213011 /nfs/dbraw/zinc/21/30/11/559213011.db2.gz UQWCJXNIONKBDI-RYWGBIBXSA-N 0 0 417.678 7.753 50 5 HKBARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H]([N+](=O)[O-])C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257358470 559213015 /nfs/dbraw/zinc/21/30/15/559213015.db2.gz UQWCJXNIONKBDI-VXKIIMKZSA-N 0 0 417.678 7.753 50 5 HKBARN CCn1c(-c2ccc(Br)cc2)csc1=Nc1cccc([N+](=O)[O-])c1 ZINC000263627902 569380924 /nfs/dbraw/zinc/38/09/24/569380924.db2.gz XJTFUILVSDKVKR-UHFFFAOYSA-N 0 0 404.289 5.140 50 5 HKBARN C=CC(=O)N=c1ccc2c3ccc(NC(=O)C=C)cc3c(-c3ccccc3)n(CC)c-2c1 ZINC000526056786 559223342 /nfs/dbraw/zinc/22/33/42/559223342.db2.gz NONPFTQOTHIICT-UHFFFAOYSA-N 0 0 421.500 5.171 50 5 HKBARN C(=Cc1c2ccccc2[o+]c2ccccc21)C=C1c2ccccc2Sc2ccccc21 ZINC000685944212 568722631 /nfs/dbraw/zinc/72/26/31/568722631.db2.gz BFLAHOINRUFJGY-OQLLNIDSSA-N 0 0 415.537 8.586 50 5 HKBARN