smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000012573160 525571082 /nfs/dbraw/zinc/57/10/82/525571082.db2.gz YTQGPUDDLAIOSY-UHFFFAOYSA-N 0 0 434.408 4.624 40 5 IJBBRN Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1 ZINC000020632401 525791945 /nfs/dbraw/zinc/79/19/45/525791945.db2.gz AIBZEVFYHLMOLW-KRWDZBQOSA-N 0 0 445.504 4.546 40 5 IJBBRN CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408674078 556615567 /nfs/dbraw/zinc/61/55/67/556615567.db2.gz XJOPCOFZXWHPQT-UHFFFAOYSA-N 0 0 443.459 4.773 40 5 IJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2F)cc1 ZINC000408688119 556616861 /nfs/dbraw/zinc/61/68/61/556616861.db2.gz VTCNGRXCOIPIKI-JOCHJYFZSA-N 0 0 427.453 4.830 40 5 IJBBRN Cc1cccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1C ZINC000408737187 556619170 /nfs/dbraw/zinc/61/91/70/556619170.db2.gz LSXZVXPFTVVEQO-QHCPKHFHSA-N 0 0 447.491 4.688 40 5 IJBBRN Cc1cccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1C ZINC000408737186 556619226 /nfs/dbraw/zinc/61/92/26/556619226.db2.gz LSXZVXPFTVVEQO-HSZRJFAPSA-N 0 0 447.491 4.688 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409132400 556630960 /nfs/dbraw/zinc/63/09/60/556630960.db2.gz ZQRVJUICJPSLMP-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1Cl ZINC000409154886 556631354 /nfs/dbraw/zinc/63/13/54/556631354.db2.gz HRAQQMWTAHLBSA-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN COc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] ZINC000409163470 556632234 /nfs/dbraw/zinc/63/22/34/556632234.db2.gz RXKLAJCPZUJNLA-CXUHLZMHSA-N 0 0 449.282 4.602 40 5 IJBBRN CC(C)(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181150 556633310 /nfs/dbraw/zinc/63/33/10/556633310.db2.gz XWHDGCZHKMDJMV-UHFFFAOYSA-N 0 0 439.489 4.944 40 5 IJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000409228643 556635525 /nfs/dbraw/zinc/63/55/25/556635525.db2.gz BYLZPBXTWDIDKM-YBFXNURJSA-N 0 0 437.839 4.910 40 5 IJBBRN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409268915 556636042 /nfs/dbraw/zinc/63/60/42/556636042.db2.gz ZPTVVORCAIFMQG-UHFFFAOYSA-N 0 0 431.404 4.529 40 5 IJBBRN COc1c(Br)cc(Br)cc1-c1nc2ccc([N+](=O)[O-])cc2o1 ZINC000226237542 556683929 /nfs/dbraw/zinc/68/39/29/556683929.db2.gz KCGSSNDEJJUNKT-UHFFFAOYSA-N 0 0 428.036 4.937 40 5 IJBBRN O=C(CSc1nc2ccccc2c2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000019690904 556846907 /nfs/dbraw/zinc/84/69/07/556846907.db2.gz JTTRIRFTRNXYQL-UHFFFAOYSA-N 0 0 427.573 4.825 40 5 IJBBRN COc1cc2nc3ccc(NC(=S)N4CC[C@H](c5ccccc5)C4)cc3nc2cc1OC ZINC000409002578 556914776 /nfs/dbraw/zinc/91/47/76/556914776.db2.gz VFTMEJRSAXIHPV-KRWDZBQOSA-N 0 0 444.560 4.987 40 5 IJBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000409167050 556982450 /nfs/dbraw/zinc/98/24/50/556982450.db2.gz GQSZVKVNEKFDQZ-SXGWCWSVSA-N 0 0 445.884 4.540 40 5 IJBBRN Cc1cc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1Cl ZINC000409172392 556984040 /nfs/dbraw/zinc/98/40/40/556984040.db2.gz GZLLKNSYZJKOKF-UHFFFAOYSA-N 0 0 445.880 4.917 40 5 IJBBRN CC(C)(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000409180570 556989129 /nfs/dbraw/zinc/98/91/29/556989129.db2.gz XBAXXDNOVMVLKW-UHFFFAOYSA-N 0 0 439.489 4.944 40 5 IJBBRN Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000409267948 557039567 /nfs/dbraw/zinc/03/95/67/557039567.db2.gz XCOUHBGGRAGMMM-XMMPIXPASA-N 0 0 447.516 4.930 40 5 IJBBRN CCCN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c2)C1=O ZINC000409354422 557080871 /nfs/dbraw/zinc/08/08/71/557080871.db2.gz FGSCPSOUBYRPHB-BOPFTXTBSA-N 0 0 429.454 4.627 40 5 IJBBRN O=C(N/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCCC1)c1ccccc1 ZINC000000805438 557227551 /nfs/dbraw/zinc/22/75/51/557227551.db2.gz DWDKMQNIZBIIAF-OQKWZONESA-N 0 0 445.475 4.638 40 5 IJBBRN O=C1[C@H]2[C@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013562505 557352906 /nfs/dbraw/zinc/35/29/06/557352906.db2.gz OLOATPURPNDQGG-UEQSERJNSA-N 0 0 439.471 4.660 40 5 IJBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC ZINC000408554433 557416541 /nfs/dbraw/zinc/41/65/41/557416541.db2.gz CSUAXMHIQLVFJT-UHFFFAOYSA-N 0 0 442.253 4.609 40 5 IJBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000408577331 557419046 /nfs/dbraw/zinc/41/90/46/557419046.db2.gz YTTVGECBPDBQNU-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 ZINC000408562753 557419244 /nfs/dbraw/zinc/41/92/44/557419244.db2.gz SACKCSFXWHKUPL-FCQUAONHSA-N 0 0 425.510 4.765 40 5 IJBBRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 ZINC000408643226 557424815 /nfs/dbraw/zinc/42/48/15/557424815.db2.gz QOSRZMIAJCZFDT-KRWDZBQOSA-N 0 0 431.448 4.687 40 5 IJBBRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c1 ZINC000014153984 557425934 /nfs/dbraw/zinc/42/59/34/557425934.db2.gz YTHJZYFNPAHQKW-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225584969 557747451 /nfs/dbraw/zinc/74/74/51/557747451.db2.gz PBYORVYVDINVGH-UHFFFAOYSA-N 0 0 426.275 4.891 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222634426 568655750 /nfs/dbraw/zinc/65/57/50/568655750.db2.gz RPFGMBYKVVQZPW-SKOKVVANSA-N 0 0 436.493 4.848 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222634297 568655860 /nfs/dbraw/zinc/65/58/60/568655860.db2.gz RPFGMBYKVVQZPW-JDORSLCVSA-N 0 0 436.493 4.848 40 5 IJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000026780006 568738976 /nfs/dbraw/zinc/73/89/76/568738976.db2.gz OONVIWMVRDRJKS-UHFFFAOYSA-N 0 0 446.872 4.693 40 5 IJBBRN CCc1cc(I)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000016161245 568871928 /nfs/dbraw/zinc/87/19/28/568871928.db2.gz IFRPSGXYEIVIFM-UHFFFAOYSA-N 0 0 430.629 4.668 40 5 IJBBRN C[C@H]1OC(=O)[C@@H]2C=C3C[C@H]([N+](=O)[O-])CC[C@H]3[C@H](C(=O)N(c3ccccc3)c3ccccc3)[C@H]12 ZINC000146853506 568884667 /nfs/dbraw/zinc/88/46/67/568884667.db2.gz JNMZYVOWRZCJKC-YSCRHRQFSA-N 0 0 446.503 4.531 40 5 IJBBRN COc1cc(C=C2SC(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002067674 568941205 /nfs/dbraw/zinc/94/12/05/568941205.db2.gz XOKYZMSXGFNSFX-VIZOYTHASA-N 0 0 433.423 4.633 40 5 IJBBRN Cc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccn2)cc1 ZINC000016789479 569162060 /nfs/dbraw/zinc/16/20/60/569162060.db2.gz AJGZDFKNFPXCHL-UHFFFAOYSA-N 0 0 431.477 4.521 40 5 IJBBRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1c(C)c(C)ccc1[N+](=O)[O-] ZINC000017095699 569172400 /nfs/dbraw/zinc/17/24/00/569172400.db2.gz JDMYFEDVYHHYBL-UHFFFAOYSA-N 0 0 428.297 4.654 40 5 IJBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000017095370 569172639 /nfs/dbraw/zinc/17/26/39/569172639.db2.gz JFKYYCFNQHYYOS-FMIVXFBMSA-N 0 0 427.464 4.851 40 5 IJBBRN CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225007873 569212434 /nfs/dbraw/zinc/21/24/34/569212434.db2.gz SSZNAEOZHYPBIW-UHFFFAOYSA-N 0 0 426.538 4.888 40 5 IJBBRN COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000215024972 569213809 /nfs/dbraw/zinc/21/38/09/569213809.db2.gz NOEADIRPFNOVSO-CXUHLZMHSA-N 0 0 449.282 4.602 40 5 IJBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000033399907 569243835 /nfs/dbraw/zinc/24/38/35/569243835.db2.gz YOZUPNZBCWDKDV-ZDUSSCGKSA-N 0 0 445.932 4.643 40 5 IJBBRN O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N(CCO)c1ccccc1 ZINC000033584181 569244710 /nfs/dbraw/zinc/24/47/10/569244710.db2.gz ZTWZDGVACAHGGE-UHFFFAOYSA-N 0 0 445.482 4.519 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 ZINC000107645547 569250677 /nfs/dbraw/zinc/25/06/77/569250677.db2.gz KTSJQNRYTGIUQD-UHFFFAOYSA-N 0 0 425.466 4.607 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000009064588 569293253 /nfs/dbraw/zinc/29/32/53/569293253.db2.gz MLGINGGBRUBLHQ-UHFFFAOYSA-N 0 0 444.310 4.946 40 5 IJBBRN COc1cc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc(OC)c1OC ZINC000010120211 569299335 /nfs/dbraw/zinc/29/93/35/569299335.db2.gz JASHTYBICCHLSF-UHFFFAOYSA-N 0 0 449.419 4.681 40 5 IJBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000027837740 569301971 /nfs/dbraw/zinc/30/19/71/569301971.db2.gz NXNDEVAASLNMQL-UHFFFAOYSA-N 0 0 436.424 4.669 40 5 IJBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1-c1ccc(CO)o1 ZINC000020142810 569335996 /nfs/dbraw/zinc/33/59/96/569335996.db2.gz QUQFTTPDRWRGMQ-UHFFFAOYSA-N 0 0 435.480 4.898 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000216252856 569428614 /nfs/dbraw/zinc/42/86/14/569428614.db2.gz LQYXQTWBNDFHNT-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c3ccccc3nc2N1 ZINC000020797273 520811208 /nfs/dbraw/zinc/81/12/08/520811208.db2.gz YKDRBTWZZOLKFR-QFIPXVFZSA-N 0 0 425.448 4.872 40 5 IJBBRN Nc1cc2c(cc1Br)nc1cc(Br)c(=O)cc-1n2-c1ccccc1 ZINC000003848525 555948685 /nfs/dbraw/zinc/94/86/85/555948685.db2.gz FQRMMFXCLRKBDQ-UHFFFAOYSA-N 0 0 445.114 4.598 40 5 IJBBRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408676270 556068212 /nfs/dbraw/zinc/06/82/12/556068212.db2.gz MTPRTPDWZWKSGT-UHFFFAOYSA-N 0 0 429.432 4.735 40 5 IJBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)c(C)c1 ZINC000408695328 556615731 /nfs/dbraw/zinc/61/57/31/556615731.db2.gz PYUOOSOYHYKSQG-UHFFFAOYSA-N 0 0 431.427 4.851 40 5 IJBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408812323 556621001 /nfs/dbraw/zinc/62/10/01/556621001.db2.gz MRFPJIRWLBNXIW-SXGWCWSVSA-N 0 0 434.857 4.502 40 5 IJBBRN CCC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409180697 556632765 /nfs/dbraw/zinc/63/27/65/556632765.db2.gz UJCDGRAMQAJRGP-QHCPKHFHSA-N 0 0 432.432 4.724 40 5 IJBBRN Cc1cccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409180094 556632837 /nfs/dbraw/zinc/63/28/37/556632837.db2.gz PCJGZEYROHCEDP-RUZDIDTESA-N 0 0 446.459 4.789 40 5 IJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409200078 556633652 /nfs/dbraw/zinc/63/36/52/556633652.db2.gz GJYAYVWLQAECOM-HVOBPNNYSA-N 0 0 444.465 4.541 40 5 IJBBRN Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409228642 556635483 /nfs/dbraw/zinc/63/54/83/556635483.db2.gz BYIAJCNOEGTBTG-WQRHYEAKSA-N 0 0 437.839 4.910 40 5 IJBBRN CCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O ZINC000409221132 556635555 /nfs/dbraw/zinc/63/55/55/556635555.db2.gz LHASWHXQYKKZAX-YBFXNURJSA-N 0 0 428.466 4.629 40 5 IJBBRN CCCCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409365096 556638563 /nfs/dbraw/zinc/63/85/63/556638563.db2.gz XJZJATDAJFNAMT-MOSHPQCFSA-N 0 0 440.477 4.693 40 5 IJBBRN C[C@@H]1[C@@H](C)CCC[C@@H]1n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000040398837 556640798 /nfs/dbraw/zinc/64/07/98/556640798.db2.gz UBIAEIPBMUHLGE-CEYNDMKZSA-N 0 0 427.548 4.951 40 5 IJBBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3[C@@H](c4ccccn4)N=C4SCCN43)cc2)cc1 ZINC000209940977 556841976 /nfs/dbraw/zinc/84/19/76/556841976.db2.gz VLTYGZMLUQSMAK-FGZHOGPDSA-N 0 0 432.505 4.770 40 5 IJBBRN O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCN(c2ccccn2)CC1 ZINC000409001493 556914618 /nfs/dbraw/zinc/91/46/18/556914618.db2.gz WGRXHEAEGIWUFR-UHFFFAOYSA-N 0 0 440.532 4.747 40 5 IJBBRN O=C(NC1CCCCC1)c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000409053726 556937736 /nfs/dbraw/zinc/93/77/36/556937736.db2.gz HITBDVOYMZJYQZ-UHFFFAOYSA-N 0 0 427.526 4.850 40 5 IJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409178941 556987320 /nfs/dbraw/zinc/98/73/20/556987320.db2.gz KVQQECFGMLWNLS-XMMPIXPASA-N 0 0 447.516 4.664 40 5 IJBBRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1 ZINC000409197696 556994933 /nfs/dbraw/zinc/99/49/33/556994933.db2.gz MGMRQGYAQXSWRU-XDOYNYLZSA-N 0 0 431.901 4.763 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)c1ccccc1 ZINC000409225583 557013664 /nfs/dbraw/zinc/01/36/64/557013664.db2.gz PVTSRCUIJRDYKQ-UDWIEESQSA-N 0 0 434.429 4.774 40 5 IJBBRN CCOC(=O)C1=C(NC(=O)c2cccc3nc4ccccc4nc32)S[C@H]2CCCC[C@@H]12 ZINC000085344907 557101305 /nfs/dbraw/zinc/10/13/05/557101305.db2.gz JGGOUPGQNMDPGI-KUHUBIRLSA-N 0 0 433.533 4.593 40 5 IJBBRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000100528113 557415802 /nfs/dbraw/zinc/41/58/02/557415802.db2.gz UEVWNWCIDININE-UHFFFAOYSA-N 0 0 439.336 4.561 40 5 IJBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408565425 557417368 /nfs/dbraw/zinc/41/73/68/557417368.db2.gz BVOMFNXBZNMWAA-NRFANRHFSA-N 0 0 442.541 4.710 40 5 IJBBRN CCCCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408567407 557417405 /nfs/dbraw/zinc/41/74/05/557417405.db2.gz MUCOFRRVEAEEAV-UHFFFAOYSA-N 0 0 436.258 4.576 40 5 IJBBRN CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000408583974 557420598 /nfs/dbraw/zinc/42/05/98/557420598.db2.gz ZAGBNXXJJFJAGS-UHFFFAOYSA-N 0 0 432.889 4.792 40 5 IJBBRN O=[N+]([O-])c1ccc(N2N=N[C@H](c3ccccc3)[C@]2(c2ccccc2)N2CCOCC2)cc1 ZINC000004972183 557420811 /nfs/dbraw/zinc/42/08/11/557420811.db2.gz ONWMVGCMRGVUNF-DNQXCXABSA-N 0 0 429.480 4.709 40 5 IJBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(F)ccc1C ZINC000408602178 557420833 /nfs/dbraw/zinc/42/08/33/557420833.db2.gz AYBXIGZJCWALMX-RMKNXTFCSA-N 0 0 441.415 4.535 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014269431 557428406 /nfs/dbraw/zinc/42/84/06/557428406.db2.gz AQHKEKPKNFTJMM-UHFFFAOYSA-N 0 0 446.828 4.543 40 5 IJBBRN O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCOc1ccccc1 ZINC000106764584 557532769 /nfs/dbraw/zinc/53/27/69/557532769.db2.gz RGIJSUIJGDGDDZ-ZHZULCJRSA-N 0 0 436.445 4.970 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000000853545 557830646 /nfs/dbraw/zinc/83/06/46/557830646.db2.gz WDCNLMYFWMSABR-UHFFFAOYSA-N 0 0 429.904 4.970 40 5 IJBBRN C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222657014 568656548 /nfs/dbraw/zinc/65/65/48/568656548.db2.gz CAYAZZPJTOYMRA-HRKXOBMBSA-N 0 0 430.460 4.784 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222851582 568735609 /nfs/dbraw/zinc/73/56/09/568735609.db2.gz SYBHXKUOADQRRI-NHCUHLMSSA-N 0 0 438.509 4.639 40 5 IJBBRN Cc1ccc(C(=O)C=C(Cc2cccc([N+](=O)[O-])c2)C(=O)NCCc2ccccc2)cc1 ZINC000001906246 568918225 /nfs/dbraw/zinc/91/82/25/568918225.db2.gz PUHVQEQWZCYZIO-KQWNVCNZSA-N 0 0 428.488 4.919 40 5 IJBBRN CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000016609921 568925596 /nfs/dbraw/zinc/92/55/96/568925596.db2.gz NAZKBNAWHQGOCE-UHFFFAOYSA-N 0 0 448.431 4.775 40 5 IJBBRN O=C(COc1ccccc1F)Oc1cc2sc(=O)oc2c(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000027061976 568940804 /nfs/dbraw/zinc/94/08/04/568940804.db2.gz KUYSZHYSEDBRDI-UHFFFAOYSA-N 0 0 441.392 4.553 40 5 IJBBRN O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017098365 569173309 /nfs/dbraw/zinc/17/33/09/569173309.db2.gz GVMHNDMILXYYCJ-UHFFFAOYSA-N 0 0 433.392 4.583 40 5 IJBBRN O=C(Nc1ccc(N2CCOCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000224981700 569208348 /nfs/dbraw/zinc/20/83/48/569208348.db2.gz PTAGUUJMZQQSIH-HKOYGPOVSA-N 0 0 429.476 4.611 40 5 IJBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 ZINC000011196732 569224554 /nfs/dbraw/zinc/22/45/54/569224554.db2.gz NRAPDNVSNIEESY-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000033698577 569245881 /nfs/dbraw/zinc/24/58/81/569245881.db2.gz MIJMIPPHMREABD-ZKKFKWFVSA-N 0 0 444.874 4.819 40 5 IJBBRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000107960110 569251959 /nfs/dbraw/zinc/25/19/59/569251959.db2.gz GDLOQYPYYOLPCK-UHFFFAOYSA-N 0 0 448.888 4.558 40 5 IJBBRN S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CCN(c2ccccc2)CC1 ZINC000038179405 569259091 /nfs/dbraw/zinc/25/90/91/569259091.db2.gz XIMMASNWPPZVDF-UHFFFAOYSA-N 0 0 439.544 4.750 40 5 IJBBRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000021577890 569390058 /nfs/dbraw/zinc/39/00/58/569390058.db2.gz RBMDZNYJWYTWRR-UHFFFAOYSA-N 0 0 426.492 4.967 40 5 IJBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC ZINC000225757043 569408025 /nfs/dbraw/zinc/40/80/25/569408025.db2.gz YCXIWZYZQZYFPF-UHFFFAOYSA-N 0 0 426.469 4.621 40 5 IJBBRN Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C)c1I ZINC000059294592 569460858 /nfs/dbraw/zinc/46/08/58/569460858.db2.gz XFIPTHRKHRFPKX-UHFFFAOYSA-N 0 0 430.629 4.722 40 5 IJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000059433413 569461391 /nfs/dbraw/zinc/46/13/91/569461391.db2.gz ARNBKQMSGYPKIL-ZCOIRKDISA-N 0 0 438.483 4.864 40 5 IJBBRN Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000020459944 525861024 /nfs/dbraw/zinc/86/10/24/525861024.db2.gz KWLAZVASLNSWNT-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016267696 556595870 /nfs/dbraw/zinc/59/58/70/556595870.db2.gz NHVNWFUJHFASMX-UHFFFAOYSA-N 0 0 448.435 4.933 40 5 IJBBRN CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(C)cc2)cc1 ZINC000408695829 556615699 /nfs/dbraw/zinc/61/56/99/556615699.db2.gz SWWKQMXQUJSLCO-UHFFFAOYSA-N 0 0 443.463 4.802 40 5 IJBBRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)c1 ZINC000408695501 556616061 /nfs/dbraw/zinc/61/60/61/556616061.db2.gz QXWFYMGFRBSDKM-UHFFFAOYSA-N 0 0 431.427 4.851 40 5 IJBBRN O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000408927556 556623210 /nfs/dbraw/zinc/62/32/10/556623210.db2.gz XJOITDQPWBYECM-RELWKKBWSA-N 0 0 431.467 4.623 40 5 IJBBRN CCOC(=O)[C@@H](C(C)=O)C(c1c2ccccc2cc2ccccc21)[C@H](C(C)=O)C(=O)OCC ZINC000016682143 556624551 /nfs/dbraw/zinc/62/45/51/556624551.db2.gz ZAWXSOPDZSJZFM-GOTSBHOMSA-N 0 0 448.515 4.613 40 5 IJBBRN CCOC(=O)c1c2c(sc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000409114586 556630735 /nfs/dbraw/zinc/63/07/35/556630735.db2.gz IMLIYKSOBOHFJO-UHFFFAOYSA-N 0 0 434.539 4.584 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000409160407 556631389 /nfs/dbraw/zinc/63/13/89/556631389.db2.gz WYALPYKXNUKMAM-UHFFFAOYSA-N 0 0 442.497 4.719 40 5 IJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409200080 556633599 /nfs/dbraw/zinc/63/35/99/556633599.db2.gz GJYAYVWLQAECOM-SGPNVBEDSA-N 0 0 444.465 4.541 40 5 IJBBRN CCCN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409251774 556636298 /nfs/dbraw/zinc/63/62/98/556636298.db2.gz WCGMKOYNGGRMTB-XNTDXEJSSA-N 0 0 435.358 4.709 40 5 IJBBRN COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409265197 556636302 /nfs/dbraw/zinc/63/63/02/556636302.db2.gz RHFBTIPSKFIDAP-UHFFFAOYSA-N 0 0 434.364 4.620 40 5 IJBBRN CCCn1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 ZINC000409342580 556637620 /nfs/dbraw/zinc/63/76/20/556637620.db2.gz GQQKIGUQNYFOMD-MTJSOVHGSA-N 0 0 449.488 4.879 40 5 IJBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2 ZINC000409355337 556638084 /nfs/dbraw/zinc/63/80/84/556638084.db2.gz BNIYEYUZFRGUBR-ZXYWRSMDSA-N 0 0 427.423 4.510 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000040398811 556640600 /nfs/dbraw/zinc/64/06/00/556640600.db2.gz HIHMHMFKFHGGBU-XDHUDOTRSA-N 0 0 429.520 4.520 40 5 IJBBRN C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C ZINC000040398838 556640838 /nfs/dbraw/zinc/64/08/38/556640838.db2.gz UBIAEIPBMUHLGE-MPCDZSKCSA-N 0 0 427.548 4.951 40 5 IJBBRN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013928522 556824214 /nfs/dbraw/zinc/82/42/14/556824214.db2.gz TZSUBMMUBXIIJK-BOPFTXTBSA-N 0 0 439.221 4.962 40 5 IJBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc2c(c1)OCO2 ZINC000408838148 556868094 /nfs/dbraw/zinc/86/80/94/556868094.db2.gz CKCABXUREXZWJO-LFYBBSHMSA-N 0 0 428.809 4.536 40 5 IJBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC ZINC000408916711 556890477 /nfs/dbraw/zinc/89/04/77/556890477.db2.gz GITKAIMLKPCQLH-LICLKQGHSA-N 0 0 448.884 4.892 40 5 IJBBRN O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000408925270 556891883 /nfs/dbraw/zinc/89/18/83/556891883.db2.gz LUUMUGSLTOWUJE-RELWKKBWSA-N 0 0 431.467 4.623 40 5 IJBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc(Cl)c1Cl ZINC000409166692 556982502 /nfs/dbraw/zinc/98/25/02/556982502.db2.gz FUUTWLZOZWDZDH-UHFFFAOYSA-N 0 0 425.253 4.682 40 5 IJBBRN O=[N+]([O-])c1ccc([C@H]2Sc3nnc(COc4ccccc4)n3N=C2c2ccccc2)cc1 ZINC000409194901 556993448 /nfs/dbraw/zinc/99/34/48/556993448.db2.gz FHAJJTNHVJDZEJ-JOCHJYFZSA-N 0 0 443.488 4.865 40 5 IJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409237662 557019510 /nfs/dbraw/zinc/01/95/10/557019510.db2.gz AYENKJYYJAMKQP-HYARGMPZSA-N 0 0 443.459 4.575 40 5 IJBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000409249067 557029900 /nfs/dbraw/zinc/02/99/00/557029900.db2.gz RZEXJIHQMHDHTP-CAOOACKPSA-N 0 0 434.857 4.502 40 5 IJBBRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409243433 557033523 /nfs/dbraw/zinc/03/35/23/557033523.db2.gz WJBBODIKMGNLRZ-WQRHYEAKSA-N 0 0 437.839 4.910 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2cccc(Cl)c2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409355175 557081463 /nfs/dbraw/zinc/08/14/63/557081463.db2.gz CAXJHHLBNVYCKD-OVCLIPMQSA-N 0 0 437.260 4.821 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c(C)c1 ZINC000409411710 557104508 /nfs/dbraw/zinc/10/45/08/557104508.db2.gz KGSOQEWCWSIRPL-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C ZINC000409412626 557109083 /nfs/dbraw/zinc/10/90/83/557109083.db2.gz YSTNZIIWVGZCSZ-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN O=[N+]([O-])c1ccc(SCCCSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100937342 557202482 /nfs/dbraw/zinc/20/24/82/557202482.db2.gz BYIONUJAOBEBSI-UHFFFAOYSA-N 0 0 440.415 4.594 40 5 IJBBRN COc1cccc(C2(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)CCCC2)c1 ZINC000013566032 557343509 /nfs/dbraw/zinc/34/35/09/557343509.db2.gz FQEHWPFASMXLQY-UHFFFAOYSA-N 0 0 426.516 4.749 40 5 IJBBRN C/C(=C\c1cc(Br)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000408528092 557412992 /nfs/dbraw/zinc/41/29/92/557412992.db2.gz AUGQXEUHYJJGEQ-MYDPPTLSSA-N 0 0 433.214 4.614 40 5 IJBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)ccc1[N+](=O)[O-] ZINC000408573917 557419007 /nfs/dbraw/zinc/41/90/07/557419007.db2.gz FJEWECXWFBLBMF-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=[N+]([O-])c1ccc(N2N=N[C@@H](c3ccccc3)[C@]2(c2ccccc2)N2CCOCC2)cc1 ZINC000004972184 557420823 /nfs/dbraw/zinc/42/08/23/557420823.db2.gz ONWMVGCMRGVUNF-BJKOFHAPSA-N 0 0 429.480 4.709 40 5 IJBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408604813 557421079 /nfs/dbraw/zinc/42/10/79/557421079.db2.gz FHNFRBJAIQXJTG-UHFFFAOYSA-N 0 0 441.871 4.886 40 5 IJBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408603138 557421116 /nfs/dbraw/zinc/42/11/16/557421116.db2.gz AXOJATAVCSPRQU-UHFFFAOYSA-N 0 0 440.368 4.824 40 5 IJBBRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 ZINC000408639106 557423915 /nfs/dbraw/zinc/42/39/15/557423915.db2.gz FGZGGARDCLAVBY-KRWDZBQOSA-N 0 0 431.448 4.687 40 5 IJBBRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1C ZINC000408642696 557424510 /nfs/dbraw/zinc/42/45/10/557424510.db2.gz PMIZSWGGBKOSQP-GOSISDBHSA-N 0 0 445.475 4.996 40 5 IJBBRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1 ZINC000408649060 557425363 /nfs/dbraw/zinc/42/53/63/557425363.db2.gz ZHWSXSUTCMVGHP-SFHVURJKSA-N 0 0 445.475 4.996 40 5 IJBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1O ZINC000106727647 557532166 /nfs/dbraw/zinc/53/21/66/557532166.db2.gz QZFCHPMEYLOLAZ-SXGWCWSVSA-N 0 0 434.857 4.589 40 5 IJBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1[N+](=O)[O-] ZINC000000859839 557830334 /nfs/dbraw/zinc/83/03/34/557830334.db2.gz STGUWZCLYKRUPY-UHFFFAOYSA-N 0 0 426.498 4.982 40 5 IJBBRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000034966000 568622659 /nfs/dbraw/zinc/62/26/59/568622659.db2.gz PDURPYDSCGCTNP-LLVKDONJSA-N 0 0 436.331 4.998 40 5 IJBBRN COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000001166914 568664365 /nfs/dbraw/zinc/66/43/65/568664365.db2.gz MJUDFZQXZJPCBJ-SXGWCWSVSA-N 0 0 449.282 4.602 40 5 IJBBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000222897216 568736699 /nfs/dbraw/zinc/73/66/99/568736699.db2.gz MKXCPEITEIBVJI-RTWAWAEBSA-N 0 0 438.509 4.641 40 5 IJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223317783 568795646 /nfs/dbraw/zinc/79/56/46/568795646.db2.gz QCJBNWZMOMMQIH-LJQANCHMSA-N 0 0 445.947 4.513 40 5 IJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223750374 568877139 /nfs/dbraw/zinc/87/71/39/568877139.db2.gz MRIWTSWPNYIFNW-FQEVSTJZSA-N 0 0 445.947 4.514 40 5 IJBBRN COc1ccc([C@H]2CCCCC[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000001706540 568879962 /nfs/dbraw/zinc/87/99/62/568879962.db2.gz MAFBUJOWFLDDIH-IEBWSBKVSA-N 0 0 429.469 4.894 40 5 IJBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2ccccc2c1 ZINC000017098862 569173330 /nfs/dbraw/zinc/17/33/30/569173330.db2.gz QKJUFKHFWSLBEB-UHFFFAOYSA-N 0 0 434.502 4.998 40 5 IJBBRN Cc1c(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] ZINC000224881279 569190396 /nfs/dbraw/zinc/19/03/96/569190396.db2.gz FQPPCERZDBDVHM-UHFFFAOYSA-N 0 0 430.258 4.892 40 5 IJBBRN CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225032837 569213718 /nfs/dbraw/zinc/21/37/18/569213718.db2.gz CIXWWSNMINYUQM-UHFFFAOYSA-N 0 0 426.538 4.888 40 5 IJBBRN O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000009200073 569294222 /nfs/dbraw/zinc/29/42/22/569294222.db2.gz CRZDZSQPJDAEDH-UHFFFAOYSA-N 0 0 446.488 4.889 40 5 IJBBRN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000019928810 569332135 /nfs/dbraw/zinc/33/21/35/569332135.db2.gz WMGAPNCOGRVNAZ-UHFFFAOYSA-N 0 0 445.932 4.874 40 5 IJBBRN Cc1c(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000020105883 569333781 /nfs/dbraw/zinc/33/37/81/569333781.db2.gz CRFFOSAEMPYWJB-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OC ZINC000225676899 569392719 /nfs/dbraw/zinc/39/27/19/569392719.db2.gz HSIKLFCMDDKVPV-UHFFFAOYSA-N 0 0 426.469 4.621 40 5 IJBBRN O=C(O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000031715987 569457042 /nfs/dbraw/zinc/45/70/42/569457042.db2.gz XNGAEWBIGCGDAO-ZEQRLZLVSA-N 0 0 432.476 4.566 40 5 IJBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1nnc(-c2ccccc2)o1 ZINC000408604978 193973915 /nfs/dbraw/zinc/97/39/15/193973915.db2.gz KESJBGCYMMDYFI-PKNBQFBNSA-N 0 0 434.408 4.699 40 5 IJBBRN O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013083052 132344244 /nfs/dbraw/zinc/34/42/44/132344244.db2.gz HVMCWMFGUREYKH-UHFFFAOYSA-N 0 0 446.532 4.622 40 5 IJBBRN Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 ZINC000022761162 524754634 /nfs/dbraw/zinc/75/46/34/524754634.db2.gz RUCASAHDFXAPAJ-UHFFFAOYSA-N 0 0 448.866 4.875 40 5 IJBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000016385516 527459047 /nfs/dbraw/zinc/45/90/47/527459047.db2.gz XEDKOYSPTNHUDF-UHFFFAOYSA-N 0 0 439.324 4.629 40 5 IJBBRN COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3NS(C)(=O)=O)c2n1 ZINC000005881949 556068492 /nfs/dbraw/zinc/06/84/92/556068492.db2.gz JUTJGSUWQBHGEO-UHFFFAOYSA-N 0 0 428.901 4.560 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000408729033 556169933 /nfs/dbraw/zinc/16/99/33/556169933.db2.gz XBMZHGARWPGBIQ-XWYWGPMTSA-N 0 0 438.483 4.648 40 5 IJBBRN Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c(C)c1 ZINC000408738228 556619488 /nfs/dbraw/zinc/61/94/88/556619488.db2.gz QONJLMYUIXNHKD-QHCPKHFHSA-N 0 0 447.491 4.688 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 ZINC000408930793 556623167 /nfs/dbraw/zinc/62/31/67/556623167.db2.gz CCZIWYMOOOYXTO-ODLFYWEKSA-N 0 0 437.839 4.910 40 5 IJBBRN Cc1ccc2cccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2n1 ZINC000409181540 556632304 /nfs/dbraw/zinc/63/23/04/556632304.db2.gz CVLVBDALYLOLEU-UHFFFAOYSA-N 0 0 448.456 4.503 40 5 IJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c(C)c1 ZINC000409177089 556632833 /nfs/dbraw/zinc/63/28/33/556632833.db2.gz AFSWTCVDEACIPE-MFOYZWKCSA-N 0 0 445.884 4.540 40 5 IJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409178940 556633066 /nfs/dbraw/zinc/63/30/66/556633066.db2.gz KVQQECFGMLWNLS-DEOSSOPVSA-N 0 0 447.516 4.664 40 5 IJBBRN CC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000409183046 556633289 /nfs/dbraw/zinc/63/32/89/556633289.db2.gz QMUSYNYRWPELDS-QHCPKHFHSA-N 0 0 432.432 4.643 40 5 IJBBRN CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000408818289 556864589 /nfs/dbraw/zinc/86/45/89/556864589.db2.gz ZWHLEDOGQKMVBJ-SXGWCWSVSA-N 0 0 449.282 4.602 40 5 IJBBRN CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cc(OC)ccc1OC ZINC000408830368 556866724 /nfs/dbraw/zinc/86/67/24/556866724.db2.gz ODHIOHNDZFWEMR-UHFFFAOYSA-N 0 0 427.482 4.940 40 5 IJBBRN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cc(OC)ccc1OC ZINC000408836612 556867018 /nfs/dbraw/zinc/86/70/18/556867018.db2.gz SYFLFJJOMZSVBT-UHFFFAOYSA-N 0 0 427.482 4.940 40 5 IJBBRN O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000408839076 556867026 /nfs/dbraw/zinc/86/70/26/556867026.db2.gz MQBJCZQFLDJNPW-YLGLTRLVSA-N 0 0 440.411 4.558 40 5 IJBBRN O=C1NC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409098264 556953804 /nfs/dbraw/zinc/95/38/04/556953804.db2.gz PAKMHAIGERURPP-UDWIEESQSA-N 0 0 449.850 4.925 40 5 IJBBRN COCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000409142385 556970120 /nfs/dbraw/zinc/97/01/20/556970120.db2.gz LBPMFWZVATZJMK-GIDUJCDVSA-N 0 0 443.264 4.844 40 5 IJBBRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409176151 556985679 /nfs/dbraw/zinc/98/56/79/556985679.db2.gz IWCONSZRUANFBS-UHFFFAOYSA-N 0 0 429.432 4.813 40 5 IJBBRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 ZINC000409206893 556996469 /nfs/dbraw/zinc/99/64/69/556996469.db2.gz MZKWZGADWWVGKO-XDOYNYLZSA-N 0 0 431.901 4.763 40 5 IJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 ZINC000409234997 557026086 /nfs/dbraw/zinc/02/60/86/557026086.db2.gz AKPGPOXFVIUGFU-OEAKJJBVSA-N 0 0 443.459 4.575 40 5 IJBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1C ZINC000409362731 557082798 /nfs/dbraw/zinc/08/27/98/557082798.db2.gz SLULIINWDVTBPG-MFOYZWKCSA-N 0 0 445.884 4.540 40 5 IJBBRN CC[C@@H](C)Oc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409358095 557085443 /nfs/dbraw/zinc/08/54/43/557085443.db2.gz KHOKGLSJPYJVMV-FAPYRAKZSA-N 0 0 440.477 4.691 40 5 IJBBRN COc1ccccc1C1(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCC1 ZINC000013566031 557343503 /nfs/dbraw/zinc/34/35/03/557343503.db2.gz VMSCDTULOPUCQX-UHFFFAOYSA-N 0 0 426.516 4.749 40 5 IJBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OCC ZINC000408564819 557416981 /nfs/dbraw/zinc/41/69/81/557416981.db2.gz AKKCYFMIPAYYBW-OAQYLSRUSA-N 0 0 442.541 4.792 40 5 IJBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408569094 557417650 /nfs/dbraw/zinc/41/76/50/557417650.db2.gz ITVJMEAUSZLRCA-IBGZPJMESA-N 0 0 448.932 4.747 40 5 IJBBRN CSc1nc2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2c(N2CCCCC2)n1 ZINC000408620174 557422203 /nfs/dbraw/zinc/42/22/03/557422203.db2.gz KTMNNFWKBSGUIX-UHFFFAOYSA-N 0 0 443.554 4.872 40 5 IJBBRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000014271076 557430333 /nfs/dbraw/zinc/43/03/33/557430333.db2.gz FMBZYZSZWZPZDF-UHFFFAOYSA-N 0 0 448.715 4.999 40 5 IJBBRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014271958 557431271 /nfs/dbraw/zinc/43/12/71/557431271.db2.gz PYDPTPNJMINIDI-UHFFFAOYSA-N 0 0 443.463 4.959 40 5 IJBBRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000106728899 557531837 /nfs/dbraw/zinc/53/18/37/557531837.db2.gz VEDKLMDXAZOORR-UNOMPAQXSA-N 0 0 428.466 4.629 40 5 IJBBRN COc1ccc(CN(C)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC ZINC000044845386 557539561 /nfs/dbraw/zinc/53/95/61/557539561.db2.gz ZGRLPVFVHYJVEL-PXLXIMEGSA-N 0 0 432.476 4.811 40 5 IJBBRN CC(=O)Nc1c(Br)cc2c(c1Br)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000001569603 562923041 /nfs/dbraw/zinc/92/30/41/562923041.db2.gz LILGGVZBSWWSSR-UHFFFAOYSA-N 0 0 426.064 4.649 40 5 IJBBRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000059179582 568780456 /nfs/dbraw/zinc/78/04/56/568780456.db2.gz RASQBMVTRCSMFZ-UHFFFAOYSA-N 0 0 442.497 4.719 40 5 IJBBRN C[C@@H](Nc1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccc1 ZINC000006177464 568850843 /nfs/dbraw/zinc/85/08/43/568850843.db2.gz INUZDVJDBRMRHO-CQSZACIVSA-N 0 0 427.438 4.509 40 5 IJBBRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224006142 568880357 /nfs/dbraw/zinc/88/03/57/568880357.db2.gz LCBIMQYAPZJBPM-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000006442315 568906955 /nfs/dbraw/zinc/90/69/55/568906955.db2.gz XUSVUFDHVWGLLI-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017095681 569173080 /nfs/dbraw/zinc/17/30/80/569173080.db2.gz FRNVKPFGQFFAEP-UHFFFAOYSA-N 0 0 428.235 4.888 40 5 IJBBRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017098378 569173747 /nfs/dbraw/zinc/17/37/47/569173747.db2.gz JZFRYUTXMYEYGH-UHFFFAOYSA-N 0 0 433.445 4.840 40 5 IJBBRN C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@H]1C ZINC000253574948 569208783 /nfs/dbraw/zinc/20/87/83/569208783.db2.gz UBIAEIPBMUHLGE-HHJKRLRDSA-N 0 0 427.548 4.951 40 5 IJBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000009062194 569219497 /nfs/dbraw/zinc/21/94/97/569219497.db2.gz WFBTYDRJEWCMCP-UHFFFAOYSA-N 0 0 445.460 4.618 40 5 IJBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1[N+](=O)[O-] ZINC000215101230 569268259 /nfs/dbraw/zinc/26/82/59/569268259.db2.gz FOVZRSIUSGWCBQ-CXUHLZMHSA-N 0 0 449.282 4.602 40 5 IJBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F ZINC000214319551 569282947 /nfs/dbraw/zinc/28/29/47/569282947.db2.gz HPACRYXWHNBKDJ-UDWIEESQSA-N 0 0 437.452 4.820 40 5 IJBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000008902530 569292052 /nfs/dbraw/zinc/29/20/52/569292052.db2.gz USLMAJAOKKXYBI-UHFFFAOYSA-N 0 0 427.844 4.597 40 5 IJBBRN O=C(N/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCCCC1)c1ccccc1 ZINC000013304875 569312866 /nfs/dbraw/zinc/31/28/66/569312866.db2.gz DWDKMQNIZBIIAF-XLNRJJMWSA-N 0 0 445.475 4.638 40 5 IJBBRN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc([N+](=O)[O-])ccc1Br ZINC000013382062 569315199 /nfs/dbraw/zinc/31/51/99/569315199.db2.gz ITMJGQPIGLGDQR-UHFFFAOYSA-N 0 0 439.225 4.813 40 5 IJBBRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000019630651 569324086 /nfs/dbraw/zinc/32/40/86/569324086.db2.gz JDAMPDCKLXGMOS-UHFFFAOYSA-N 0 0 439.855 4.667 40 5 IJBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000019927401 569332046 /nfs/dbraw/zinc/33/20/46/569332046.db2.gz FMVKWPKHVXCNRL-UHFFFAOYSA-N 0 0 433.873 4.802 40 5 IJBBRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000020142998 569335987 /nfs/dbraw/zinc/33/59/87/569335987.db2.gz KWFYEXDLRHZTDY-UHFFFAOYSA-N 0 0 441.871 4.853 40 5 IJBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020140463 569336003 /nfs/dbraw/zinc/33/60/03/569336003.db2.gz RGDUMBYGUFWUMI-UHFFFAOYSA-N 0 0 434.404 4.868 40 5 IJBBRN O=C(Oc1cccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000059399013 569461097 /nfs/dbraw/zinc/46/10/97/569461097.db2.gz ZAXUZEJCTRXOLA-NDENLUEZSA-N 0 0 448.818 4.812 40 5 IJBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000059477631 569461495 /nfs/dbraw/zinc/46/14/95/569461495.db2.gz ICDZTQBFHFIRQU-DHZHZOJOSA-N 0 0 437.883 4.870 40 5 IJBBRN O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009713966 569562681 /nfs/dbraw/zinc/56/26/81/569562681.db2.gz YCMDFHWKINPKAM-UHFFFAOYSA-N 0 0 430.848 4.945 40 5 IJBBRN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1cccc([N+](=O)[O-])c1 ZINC000033621182 569583570 /nfs/dbraw/zinc/58/35/70/569583570.db2.gz RYKDIFPXFHRPBL-UHFFFAOYSA-N 0 0 434.502 4.998 40 5 IJBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(OC(F)F)cc3)cc2)c1[N+](=O)[O-] ZINC000408607522 193976038 /nfs/dbraw/zinc/97/60/38/193976038.db2.gz SWERYARHRKCEEP-NYYWCZLTSA-N 0 0 445.378 4.681 40 5 IJBBRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610263 520839965 /nfs/dbraw/zinc/83/99/65/520839965.db2.gz IXFWUXYPMYSZEB-UHFFFAOYSA-N 0 0 437.843 4.633 40 5 IJBBRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020610399 527303878 /nfs/dbraw/zinc/30/38/78/527303878.db2.gz WJTYOSBKXDYZKQ-UHFFFAOYSA-N 0 0 443.394 4.980 40 5 IJBBRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020609871 527305259 /nfs/dbraw/zinc/30/52/59/527305259.db2.gz CFTGYQKIZPTVQA-UHFFFAOYSA-N 0 0 442.479 4.571 40 5 IJBBRN Cc1cccc(C)c1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408739122 556618916 /nfs/dbraw/zinc/61/89/16/556618916.db2.gz XWOIMUPFEOBKIP-QFIPXVFZSA-N 0 0 447.491 4.688 40 5 IJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409180141 556632391 /nfs/dbraw/zinc/63/23/91/556632391.db2.gz PQCMRTSZHSLTGZ-FQEVSTJZSA-N 0 0 440.795 4.937 40 5 IJBBRN Cc1ccccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409182437 556633966 /nfs/dbraw/zinc/63/39/66/556633966.db2.gz KVSXSYNIZIKROZ-RUZDIDTESA-N 0 0 446.459 4.789 40 5 IJBBRN O=C1NC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409226362 556635561 /nfs/dbraw/zinc/63/55/61/556635561.db2.gz NDFSADAHFDYPHR-DEDYPNTBSA-N 0 0 449.850 4.925 40 5 IJBBRN CCc1cccc2c(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)c[nH]c21 ZINC000409353128 556637937 /nfs/dbraw/zinc/63/79/37/556637937.db2.gz HEPBRQHCYAHEPV-GRSHGNNSSA-N 0 0 435.461 4.558 40 5 IJBBRN CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000408815996 556863165 /nfs/dbraw/zinc/86/31/65/556863165.db2.gz KBPCHSWAGJOOKM-SXGWCWSVSA-N 0 0 449.282 4.602 40 5 IJBBRN COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408820849 556866172 /nfs/dbraw/zinc/86/61/72/556866172.db2.gz ZOYDIYROIXSGHP-SXGWCWSVSA-N 0 0 434.857 4.502 40 5 IJBBRN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(OC)c(OC)c1 ZINC000408821229 556866198 /nfs/dbraw/zinc/86/61/98/556866198.db2.gz FAAXCYPNJUBVHJ-UHFFFAOYSA-N 0 0 427.482 4.940 40 5 IJBBRN COc1ccc(CCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC ZINC000408905950 556884232 /nfs/dbraw/zinc/88/42/32/556884232.db2.gz BGETZEURGQYJNS-CJLVFECKSA-N 0 0 432.476 4.512 40 5 IJBBRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409237502 557019093 /nfs/dbraw/zinc/01/90/93/557019093.db2.gz XBDCELUOUHCULQ-XDHOZWIPSA-N 0 0 428.466 4.629 40 5 IJBBRN O=C(Oc1cccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000111455433 557045341 /nfs/dbraw/zinc/04/53/41/557045341.db2.gz ZEKLQUXMRWTCDR-MOSHPQCFSA-N 0 0 448.818 4.812 40 5 IJBBRN Cc1cccc(C)c1NC(=O)[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1F ZINC000000830298 557280803 /nfs/dbraw/zinc/28/08/03/557280803.db2.gz RMNZQNKNANKIHQ-JOCHJYFZSA-N 0 0 435.455 4.803 40 5 IJBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408545273 557416132 /nfs/dbraw/zinc/41/61/32/557416132.db2.gz XGEWMOKYAXUGGG-NTMALXAHSA-N 0 0 425.397 4.948 40 5 IJBBRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)NC(=S)N1 ZINC000408604373 557421060 /nfs/dbraw/zinc/42/10/60/557421060.db2.gz IKMZBZFRJMGVAI-GOSISDBHSA-N 0 0 449.916 4.644 40 5 IJBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408638167 557423920 /nfs/dbraw/zinc/42/39/20/557423920.db2.gz BNQRLJVVPVNHGV-KRWDZBQOSA-N 0 0 431.448 4.687 40 5 IJBBRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000014405560 557443573 /nfs/dbraw/zinc/44/35/73/557443573.db2.gz YCFGDANJTJHPGX-UHFFFAOYSA-N 0 0 435.484 4.713 40 5 IJBBRN C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000851202 557830429 /nfs/dbraw/zinc/83/04/29/557830429.db2.gz WTRIGMHYPAABSD-JTQLQIEISA-N 0 0 449.286 4.527 40 5 IJBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016384523 568886301 /nfs/dbraw/zinc/88/63/01/568886301.db2.gz YDZWLMFHGYHLKA-UHFFFAOYSA-N 0 0 427.294 4.638 40 5 IJBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000006442762 568906843 /nfs/dbraw/zinc/90/68/43/568906843.db2.gz XRMKUGJLKGPRNU-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN CCC(=O)n1c(-c2ccccc2)nc2c1SC(c1ccc([N+](=O)[O-])cc1)=NN2C(=O)CC ZINC000016777594 569161928 /nfs/dbraw/zinc/16/19/28/569161928.db2.gz MQBPEZUERFWNBF-UHFFFAOYSA-N 0 0 449.492 4.719 40 5 IJBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl ZINC000017095698 569172704 /nfs/dbraw/zinc/17/27/04/569172704.db2.gz XOXRNQFKEIMEQN-UHFFFAOYSA-N 0 0 428.297 4.736 40 5 IJBBRN CC(C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017095010 569172862 /nfs/dbraw/zinc/17/28/62/569172862.db2.gz FFCCZYCYKIKXQS-UHFFFAOYSA-N 0 0 426.542 4.835 40 5 IJBBRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1cccs1 ZINC000017097711 569173462 /nfs/dbraw/zinc/17/34/62/569173462.db2.gz MZUXEZGRPHTGMI-UHFFFAOYSA-N 0 0 431.857 4.823 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225024720 569213757 /nfs/dbraw/zinc/21/37/57/569213757.db2.gz GDWYLLMUDJENMC-FCHUYYIVSA-N 0 0 433.537 4.696 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C ZINC000015529142 569225480 /nfs/dbraw/zinc/22/54/80/569225480.db2.gz BPHVJCDCHSMGEA-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(I)cc3)o2)cc1 ZINC000009200234 569294279 /nfs/dbraw/zinc/29/42/79/569294279.db2.gz USMZOJOZYOHNKA-UHFFFAOYSA-N 0 0 439.234 4.542 40 5 IJBBRN COc1cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc(OC)c1OC ZINC000010120218 569299305 /nfs/dbraw/zinc/29/93/05/569299305.db2.gz LKNFBALEBDOSLQ-UHFFFAOYSA-N 0 0 449.419 4.681 40 5 IJBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000020759850 569374957 /nfs/dbraw/zinc/37/49/57/569374957.db2.gz QQGBYTFWTRHTON-UHFFFAOYSA-N 0 0 439.280 4.991 40 5 IJBBRN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000003210980 569441761 /nfs/dbraw/zinc/44/17/61/569441761.db2.gz WUSJNAVITVZCPN-UHFFFAOYSA-N 0 0 434.408 4.624 40 5 IJBBRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000039759127 569481887 /nfs/dbraw/zinc/48/18/87/569481887.db2.gz TWJQLDSUCHJVJQ-UHFFFAOYSA-N 0 0 445.460 4.618 40 5 IJBBRN C[C@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000012285488 525641834 /nfs/dbraw/zinc/64/18/34/525641834.db2.gz BKGQDHJNBGUGPK-GFCUVTGDSA-N 0 0 429.395 4.654 40 5 IJBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000034702026 555507051 /nfs/dbraw/zinc/50/70/51/555507051.db2.gz OQSAEHUBRIYRSZ-UHFFFAOYSA-N 0 0 425.466 4.607 40 5 IJBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1[N+](=O)[O-] ZINC000408678772 556615140 /nfs/dbraw/zinc/61/51/40/556615140.db2.gz DAJXHKMVUOPWJO-HNNXBMFYSA-N 0 0 429.432 4.794 40 5 IJBBRN CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1 ZINC000408696069 556615722 /nfs/dbraw/zinc/61/57/22/556615722.db2.gz VTOAOGMTZWXAAU-UHFFFAOYSA-N 0 0 447.426 4.633 40 5 IJBBRN COc1ccc(-c2ccc(/C=C3\SC(Nc4ccccc4F)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000408802539 556621041 /nfs/dbraw/zinc/62/10/41/556621041.db2.gz YNYPWMYKEOBGFQ-UHFFFAOYSA-N 0 0 440.432 4.765 40 5 IJBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408918219 556622903 /nfs/dbraw/zinc/62/29/03/556622903.db2.gz HSCDYRXYILKYCV-YCIYHOANSA-N 0 0 444.874 4.650 40 5 IJBBRN CCC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409180695 556632777 /nfs/dbraw/zinc/63/27/77/556632777.db2.gz UJCDGRAMQAJRGP-HSZRJFAPSA-N 0 0 432.432 4.724 40 5 IJBBRN CCC(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409176971 556632865 /nfs/dbraw/zinc/63/28/65/556632865.db2.gz CSGAZPLMVOKIPH-HSZRJFAPSA-N 0 0 432.432 4.724 40 5 IJBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2 ZINC000409355111 556637804 /nfs/dbraw/zinc/63/78/04/556637804.db2.gz BNIYEYUZFRGUBR-MUKKUYKPSA-N 0 0 427.423 4.510 40 5 IJBBRN CC[C@@H](C)Oc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409359076 556637868 /nfs/dbraw/zinc/63/78/68/556637868.db2.gz MJJISVDQIRZAMH-MQMKENTISA-N 0 0 440.477 4.691 40 5 IJBBRN Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)c1 ZINC000040398733 556640628 /nfs/dbraw/zinc/64/06/28/556640628.db2.gz XEWVRMVHPGKJOZ-UHFFFAOYSA-N 0 0 427.891 4.960 40 5 IJBBRN Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)c1 ZINC000040398735 556640645 /nfs/dbraw/zinc/64/06/45/556640645.db2.gz JVCAMPPXGRXDMA-UHFFFAOYSA-N 0 0 427.891 4.960 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000040398813 556640648 /nfs/dbraw/zinc/64/06/48/556640648.db2.gz HIHMHMFKFHGGBU-BXKMTCNYSA-N 0 0 429.520 4.520 40 5 IJBBRN COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] ZINC000022197134 556849635 /nfs/dbraw/zinc/84/96/35/556849635.db2.gz ZBOVUXZKPJIKRW-UHFFFAOYSA-N 0 0 431.242 4.556 40 5 IJBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000408841293 556867471 /nfs/dbraw/zinc/86/74/71/556867471.db2.gz FFYAMSYDRXVSDZ-NTUHNPAUSA-N 0 0 429.797 4.716 40 5 IJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409208509 556997442 /nfs/dbraw/zinc/99/74/42/556997442.db2.gz GKFARWOCYYVAQL-WOJGMQOQSA-N 0 0 444.465 4.543 40 5 IJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409221218 557016815 /nfs/dbraw/zinc/01/68/15/557016815.db2.gz MUJGWZUCMXZCPL-HYARGMPZSA-N 0 0 443.459 4.575 40 5 IJBBRN CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409246628 557028253 /nfs/dbraw/zinc/02/82/53/557028253.db2.gz JXCFCGRZEIMRCG-XDHOZWIPSA-N 0 0 428.466 4.629 40 5 IJBBRN CC[C@H](C)Oc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409359079 557086010 /nfs/dbraw/zinc/08/60/10/557086010.db2.gz MJJISVDQIRZAMH-PVGUKEHMSA-N 0 0 440.477 4.691 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000832264 557278013 /nfs/dbraw/zinc/27/80/13/557278013.db2.gz NAAIDEWJNWGTGA-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nn12 ZINC000014273216 557332366 /nfs/dbraw/zinc/33/23/66/557332366.db2.gz PTDZSKDBFLFKHX-UHFFFAOYSA-N 0 0 446.448 4.582 40 5 IJBBRN O=C(N/C(=C\c1c2ccccc2cc2ccccc21)C(=O)N1CCOCC1)c1ccccc1 ZINC000013550034 557351068 /nfs/dbraw/zinc/35/10/68/557351068.db2.gz GMHQBDSZCBNUQN-XHPQRKPJSA-N 0 0 436.511 4.623 40 5 IJBBRN C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222657076 557369318 /nfs/dbraw/zinc/36/93/18/557369318.db2.gz CAYAZZPJTOYMRA-HINJULBWSA-N 0 0 430.460 4.784 40 5 IJBBRN O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408527785 557413232 /nfs/dbraw/zinc/41/32/32/557413232.db2.gz CPNAKGWTBZJKJO-UHFFFAOYSA-N 0 0 442.387 4.846 40 5 IJBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 ZINC000408562282 557418632 /nfs/dbraw/zinc/41/86/32/557418632.db2.gz OOWLRBSDSBOECF-DQRAZIAOSA-N 0 0 440.481 4.665 40 5 IJBBRN O=C(COC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000408585921 557420527 /nfs/dbraw/zinc/42/05/27/557420527.db2.gz KEHPFVGVRGRVDO-UHFFFAOYSA-N 0 0 425.824 4.867 40 5 IJBBRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408637784 557423656 /nfs/dbraw/zinc/42/36/56/557423656.db2.gz ABSIYVNWTZSSMF-SFHVURJKSA-N 0 0 445.475 4.996 40 5 IJBBRN O=C(OCC12[C@H]3c4ccccc4C1c1ccccc1[C@H]32)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000044628577 557536734 /nfs/dbraw/zinc/53/67/34/557536734.db2.gz SQEJORIVXQHUOG-NPXOOMFISA-N 0 0 428.400 4.686 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O ZINC000222375882 568639493 /nfs/dbraw/zinc/63/94/93/568639493.db2.gz HFDPQUZKTCYZTR-UHFFFAOYSA-N 0 0 447.557 4.520 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222851726 568735719 /nfs/dbraw/zinc/73/57/19/568735719.db2.gz SYBHXKUOADQRRI-LEWJYISDSA-N 0 0 438.509 4.639 40 5 IJBBRN C[C@H](Nc1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1ccccc1 ZINC000006177242 568850954 /nfs/dbraw/zinc/85/09/54/568850954.db2.gz INUZDVJDBRMRHO-AWEZNQCLSA-N 0 0 427.438 4.509 40 5 IJBBRN Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017098253 569173831 /nfs/dbraw/zinc/17/38/31/569173831.db2.gz SWKWVAXQRLGUED-UHFFFAOYSA-N 0 0 432.933 4.674 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 ZINC000225024498 569213751 /nfs/dbraw/zinc/21/37/51/569213751.db2.gz SKWUUEJJIFXNCQ-FGZHOGPDSA-N 0 0 433.537 4.696 40 5 IJBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c([N+](=O)[O-])c1 ZINC000008812535 569219232 /nfs/dbraw/zinc/21/92/32/569219232.db2.gz OVWXEYQOQJZRLM-UHFFFAOYSA-N 0 0 426.498 4.982 40 5 IJBBRN Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C/[N+](=O)[O-])c1 ZINC000033674401 569245683 /nfs/dbraw/zinc/24/56/83/569245683.db2.gz KSRCDSHUFSGTKR-AATRIKPKSA-N 0 0 441.075 4.987 40 5 IJBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1[N+](=O)[O-] ZINC000058058985 569249630 /nfs/dbraw/zinc/24/96/30/569249630.db2.gz TXAIRNHGMNTBOS-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 ZINC000009524250 569297183 /nfs/dbraw/zinc/29/71/83/569297183.db2.gz PGMOKPXIUVCHPT-JBXUNAHCSA-N 0 0 426.472 4.591 40 5 IJBBRN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1cccc(C)c1 ZINC000019927629 569331917 /nfs/dbraw/zinc/33/19/17/569331917.db2.gz SCDORVMEKVEBDE-UHFFFAOYSA-N 0 0 425.514 4.529 40 5 IJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225616878 569405877 /nfs/dbraw/zinc/40/58/77/569405877.db2.gz KWZIYTVFGMPJIE-OXQOHEQNSA-N 0 0 445.947 4.513 40 5 IJBBRN Cc1c(C)n(Cc2ccccc2)c2ccc(-c3nnc(CCn4cc([N+](=O)[O-])cn4)o3)cc12 ZINC000002791688 569421562 /nfs/dbraw/zinc/42/15/62/569421562.db2.gz IVTLLWNWXKMODU-UHFFFAOYSA-N 0 0 442.479 4.704 40 5 IJBBRN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000059417102 569461263 /nfs/dbraw/zinc/46/12/63/569461263.db2.gz YAEUFGZCWAXESJ-ZDUSSCGKSA-N 0 0 428.338 4.563 40 5 IJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 ZINC000059433435 569461417 /nfs/dbraw/zinc/46/14/17/569461417.db2.gz UCVWPAVELXJTSG-PGAZUGQPSA-N 0 0 438.483 4.864 40 5 IJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039757152 569481897 /nfs/dbraw/zinc/48/18/97/569481897.db2.gz BKLGFAZOVCUSDY-UHFFFAOYSA-N 0 0 426.275 4.891 40 5 IJBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 ZINC000032118845 569583712 /nfs/dbraw/zinc/58/37/12/569583712.db2.gz HHSYKRDBFCDOEL-UHFFFAOYSA-N 0 0 428.539 4.982 40 5 IJBBRN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(CS(=O)(=O)c2ccccc2)cc1 ZINC000024522948 526425718 /nfs/dbraw/zinc/42/57/18/526425718.db2.gz ZSNRCQFKQFHAGA-UHFFFAOYSA-N 0 0 445.880 4.579 40 5 IJBBRN CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cc(Cl)ccc1OC ZINC000408675003 556614290 /nfs/dbraw/zinc/61/42/90/556614290.db2.gz OOFYUOQWXCTMAF-UHFFFAOYSA-N 0 0 432.889 4.510 40 5 IJBBRN Cc1ccc(C)n1N(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000408685671 556616284 /nfs/dbraw/zinc/61/62/84/556616284.db2.gz PURYZFSPCUVVGS-UHFFFAOYSA-N 0 0 446.290 4.981 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000408729030 556618300 /nfs/dbraw/zinc/61/83/00/556618300.db2.gz XBMZHGARWPGBIQ-LSSDNNNWSA-N 0 0 438.483 4.648 40 5 IJBBRN Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000409179341 556632749 /nfs/dbraw/zinc/63/27/49/556632749.db2.gz MDRYAMJSURGGHZ-UHFFFAOYSA-N 0 0 430.869 4.642 40 5 IJBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000409192807 556633558 /nfs/dbraw/zinc/63/35/58/556633558.db2.gz BLVAUOOEIMAHSS-LRFXARPXSA-N 0 0 440.411 4.558 40 5 IJBBRN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2ccccc2o1 ZINC000409335664 556637224 /nfs/dbraw/zinc/63/72/24/556637224.db2.gz YFFYKHVYRJAQRR-UHFFFAOYSA-N 0 0 443.872 4.521 40 5 IJBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000033931001 556742374 /nfs/dbraw/zinc/74/23/74/556742374.db2.gz LUYGWVDBSGOOKN-JKEYDSJLSA-N 0 0 427.526 4.558 40 5 IJBBRN Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC(C)(C)C)cc1 ZINC000001826707 556798349 /nfs/dbraw/zinc/79/83/49/556798349.db2.gz WGXNPTNIXGROQI-RCCKNPSSSA-N 0 0 447.491 4.849 40 5 IJBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1[N+](=O)[O-] ZINC000409170282 556980656 /nfs/dbraw/zinc/98/06/56/556980656.db2.gz VAWPBAIRPFNUGA-UHFFFAOYSA-N 0 0 425.253 4.682 40 5 IJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OC(=S)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000014920225 557120963 /nfs/dbraw/zinc/12/09/63/557120963.db2.gz SPBLXJMTSISPAG-UHFFFAOYSA-N 0 0 438.421 4.531 40 5 IJBBRN CCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] ZINC000000830158 557280450 /nfs/dbraw/zinc/28/04/50/557280450.db2.gz HYLCJOCDZICMQR-UHFFFAOYSA-N 0 0 437.843 4.633 40 5 IJBBRN COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1 ZINC000102188484 557314310 /nfs/dbraw/zinc/31/43/10/557314310.db2.gz PGMOKPXIUVCHPT-ROHNOIKCSA-N 0 0 426.472 4.591 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000014269516 557332159 /nfs/dbraw/zinc/33/21/59/557332159.db2.gz PZPJZNZQSXJCAN-UHFFFAOYSA-N 0 0 441.896 4.954 40 5 IJBBRN COc1c(Cl)cc(Cl)cc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000014271953 557332730 /nfs/dbraw/zinc/33/27/30/557332730.db2.gz JMJCJODZDZCBQU-UHFFFAOYSA-N 0 0 444.702 4.526 40 5 IJBBRN CCN1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229156 557343290 /nfs/dbraw/zinc/34/32/90/557343290.db2.gz OXFGAIRVIXYGPQ-UHFFFAOYSA-N 0 0 444.963 4.940 40 5 IJBBRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000072229992 557343316 /nfs/dbraw/zinc/34/33/16/557343316.db2.gz JVRMVNQUMJWQSZ-NRFANRHFSA-N 0 0 426.856 4.981 40 5 IJBBRN Cc1nn(-c2ccccc2)c(Cl)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100288362 557397344 /nfs/dbraw/zinc/39/73/44/557397344.db2.gz YBJOVXXZHNZIQM-BQYQJAHWSA-N 0 0 429.776 4.729 40 5 IJBBRN CCOc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4N3CCCC3)C2=O)cc1 ZINC000408535141 557415602 /nfs/dbraw/zinc/41/56/02/557415602.db2.gz XTAPUNHPWKRLOB-UHFFFAOYSA-N 0 0 431.448 4.548 40 5 IJBBRN COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408571025 557419708 /nfs/dbraw/zinc/41/97/08/557419708.db2.gz MWBBZWCAZQWNHY-LJQANCHMSA-N 0 0 448.932 4.665 40 5 IJBBRN COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000014270619 557429878 /nfs/dbraw/zinc/42/98/78/557429878.db2.gz OSDLCFGQMVQWFU-UHFFFAOYSA-N 0 0 448.460 4.538 40 5 IJBBRN COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl ZINC000014271066 557430263 /nfs/dbraw/zinc/43/02/63/557430263.db2.gz ODYVDGCSHXXTHC-UHFFFAOYSA-N 0 0 448.715 4.999 40 5 IJBBRN Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000008652843 562960161 /nfs/dbraw/zinc/96/01/61/562960161.db2.gz LJKRWQUQDCHKMO-JAIQZWGSSA-N 0 0 433.855 4.635 40 5 IJBBRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001040738 568653864 /nfs/dbraw/zinc/65/38/64/568653864.db2.gz LJGCPQDGWLUHLN-UHFFFAOYSA-N 0 0 443.774 4.709 40 5 IJBBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000222897152 568736779 /nfs/dbraw/zinc/73/67/79/568736779.db2.gz MKXCPEITEIBVJI-SFTDATJTSA-N 0 0 438.509 4.641 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000015410475 568761981 /nfs/dbraw/zinc/76/19/81/568761981.db2.gz CBIFRUAITCRKSF-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000035264338 568848396 /nfs/dbraw/zinc/84/83/96/568848396.db2.gz QXWDLLOXWYLINN-UHFFFAOYSA-N 0 0 425.828 4.518 40 5 IJBBRN Cc1c(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cccc1[N+](=O)[O-] ZINC000016250141 568874903 /nfs/dbraw/zinc/87/49/03/568874903.db2.gz LNCGWROGXOAGEE-UHFFFAOYSA-N 0 0 448.460 4.544 40 5 IJBBRN Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016267692 568875100 /nfs/dbraw/zinc/87/51/00/568875100.db2.gz HUQLSUKRGBTIBN-UHFFFAOYSA-N 0 0 448.435 4.933 40 5 IJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223750315 568877043 /nfs/dbraw/zinc/87/70/43/568877043.db2.gz MRIWTSWPNYIFNW-HXUWFJFHSA-N 0 0 445.947 4.514 40 5 IJBBRN Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] ZINC000223976351 568880159 /nfs/dbraw/zinc/88/01/59/568880159.db2.gz QGOAZALNTZSAPJ-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000224526907 568937116 /nfs/dbraw/zinc/93/71/16/568937116.db2.gz BVIZBOJUOKBDDV-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017095002 569172599 /nfs/dbraw/zinc/17/25/99/569172599.db2.gz YIPPEVLSEHKHTM-HNNXBMFYSA-N 0 0 426.542 4.835 40 5 IJBBRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017097194 569172731 /nfs/dbraw/zinc/17/27/31/569172731.db2.gz PSIUFLVXBDEZIF-UHFFFAOYSA-N 0 0 430.675 4.644 40 5 IJBBRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000017096684 569172744 /nfs/dbraw/zinc/17/27/44/569172744.db2.gz RYKFNUZUEJDDBZ-UHFFFAOYSA-N 0 0 429.885 4.845 40 5 IJBBRN Cc1c(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cccc1[N+](=O)[O-] ZINC000224890338 569190418 /nfs/dbraw/zinc/19/04/18/569190418.db2.gz ZKWVPQSVQSNQQF-UHFFFAOYSA-N 0 0 430.258 4.892 40 5 IJBBRN Cn1c(=O)sc2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21 ZINC000225022181 569213608 /nfs/dbraw/zinc/21/36/08/569213608.db2.gz SDIVAUZRRJYNST-CPNJWEJPSA-N 0 0 431.473 4.688 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225024768 569213744 /nfs/dbraw/zinc/21/37/44/569213744.db2.gz GDWYLLMUDJENMC-VXKWHMMOSA-N 0 0 433.537 4.696 40 5 IJBBRN CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225088395 569215600 /nfs/dbraw/zinc/21/56/00/569215600.db2.gz BARFSQXEHAXIBJ-UHFFFAOYSA-N 0 0 433.711 4.534 40 5 IJBBRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000108243106 569252770 /nfs/dbraw/zinc/25/27/70/569252770.db2.gz VBSYPCWXUCXQIN-UHFFFAOYSA-N 0 0 439.493 4.985 40 5 IJBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 ZINC000214218985 569265575 /nfs/dbraw/zinc/26/55/75/569265575.db2.gz IWXKHNVASMUMJJ-UDWIEESQSA-N 0 0 437.452 4.820 40 5 IJBBRN COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1 ZINC000009524253 569297192 /nfs/dbraw/zinc/29/71/92/569297192.db2.gz PGMOKPXIUVCHPT-NDBXHCKUSA-N 0 0 426.472 4.591 40 5 IJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)nc21 ZINC000010010665 569299083 /nfs/dbraw/zinc/29/90/83/569299083.db2.gz PSWFRSGITLEJKI-QMMMGPOBSA-N 0 0 442.280 4.926 40 5 IJBBRN O=c1nc(Cc2ccccc2)n(Cc2ccccc2C(F)(F)F)c2ccc([N+](=O)[O-])cc12 ZINC000013028240 569307269 /nfs/dbraw/zinc/30/72/69/569307269.db2.gz FGBUNHYPXIPGCH-UHFFFAOYSA-N 0 0 439.393 4.963 40 5 IJBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020145103 569335897 /nfs/dbraw/zinc/33/58/97/569335897.db2.gz VMZRSNCRYGJXMQ-YCRREMRBSA-N 0 0 428.828 4.661 40 5 IJBBRN Cc1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])o2)NC(=O)c2ccccc2Cl)c1 ZINC000028048295 569406469 /nfs/dbraw/zinc/40/64/69/569406469.db2.gz AFXRQGFPTSONSZ-LDADJPATSA-N 0 0 425.828 4.559 40 5 IJBBRN CCOc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(=O)OC)cc1 ZINC000002889743 569424071 /nfs/dbraw/zinc/42/40/71/569424071.db2.gz VZJHTJGBCIKGEK-UHFFFAOYSA-N 0 0 426.450 4.761 40 5 IJBBRN Cc1nc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1Br ZINC000057313507 569430667 /nfs/dbraw/zinc/43/06/67/569430667.db2.gz UWEASVCQWRWJNL-UHFFFAOYSA-N 0 0 433.306 4.549 40 5 IJBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000059200733 569460301 /nfs/dbraw/zinc/46/03/01/569460301.db2.gz CJTUTXWIALBVLL-UHFFFAOYSA-N 0 0 425.253 4.682 40 5 IJBBRN Cc1ccc(C(C)C)c(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000059417131 569461288 /nfs/dbraw/zinc/46/12/88/569461288.db2.gz ZMFDUEVDYYNOTR-UHFFFAOYSA-N 0 0 440.418 4.619 40 5 IJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000059433410 569461389 /nfs/dbraw/zinc/46/13/89/569461389.db2.gz ARNBKQMSGYPKIL-AYIBLLACSA-N 0 0 438.483 4.864 40 5 IJBBRN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008435616 569464263 /nfs/dbraw/zinc/46/42/63/569464263.db2.gz NRQODJQBNGJWKC-UHFFFAOYSA-N 0 0 434.930 4.863 40 5 IJBBRN CCCCn1c(=O)nc2n(-c3ccc(OC)c(Cl)c3)c3cccc(Cl)c3cc-2c1=O ZINC000041076615 569526478 /nfs/dbraw/zinc/52/64/78/569526478.db2.gz FGADLUKWXASPDZ-UHFFFAOYSA-N 0 0 444.318 4.768 40 5 IJBBRN Cc1c(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cccc1[N+](=O)[O-] ZINC000014270788 569583137 /nfs/dbraw/zinc/58/31/37/569583137.db2.gz VSULAQCIVBSIGX-UHFFFAOYSA-N 0 0 441.321 4.947 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223358911 193971023 /nfs/dbraw/zinc/97/10/23/193971023.db2.gz WVMNISBNGSAAAV-YADHBBJMSA-N 0 0 445.504 4.546 40 5 IJBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000033931003 518977543 /nfs/dbraw/zinc/97/75/43/518977543.db2.gz LUYGWVDBSGOOKN-YHAOYDPOSA-N 0 0 427.526 4.558 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccccc2Br)o1 ZINC000012418963 522980602 /nfs/dbraw/zinc/98/06/02/522980602.db2.gz QOPAAHUONBXDQG-UHFFFAOYSA-N 0 0 447.241 4.790 40 5 IJBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)NCCc1ccccc1 ZINC000035313216 527073846 /nfs/dbraw/zinc/07/38/46/527073846.db2.gz LBAQECIBVAXANG-UHFFFAOYSA-N 0 0 430.558 4.844 40 5 IJBBRN O=C(Nc1cccc2ccccc21)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000020534009 527384792 /nfs/dbraw/zinc/38/47/92/527384792.db2.gz DRSIBJWAHVMRLZ-UHFFFAOYSA-N 0 0 437.411 4.801 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2C)cc1 ZINC000010364858 556333474 /nfs/dbraw/zinc/33/34/74/556333474.db2.gz LMPSBSZLQBTNAR-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] ZINC000015438672 556527818 /nfs/dbraw/zinc/52/78/18/556527818.db2.gz JDOLZUIVBNTYBA-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)c1C ZINC000408695902 556615728 /nfs/dbraw/zinc/61/57/28/556615728.db2.gz UUIXBNGMCZJVTD-UHFFFAOYSA-N 0 0 431.427 4.851 40 5 IJBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000408713991 556618723 /nfs/dbraw/zinc/61/87/23/556618723.db2.gz FUXQTQDJNHSLOT-UHFFFAOYSA-N 0 0 428.876 4.868 40 5 IJBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408918220 556622925 /nfs/dbraw/zinc/62/29/25/556622925.db2.gz HSCDYRXYILKYCV-ZKKFKWFVSA-N 0 0 444.874 4.650 40 5 IJBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000408843538 556868397 /nfs/dbraw/zinc/86/83/97/556868397.db2.gz LXSYBWZYCKYVHC-NTUHNPAUSA-N 0 0 429.797 4.716 40 5 IJBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1C ZINC000408918053 556891236 /nfs/dbraw/zinc/89/12/36/556891236.db2.gz FNRUCCWREOJEFG-ZOVQAKDCSA-N 0 0 438.483 4.782 40 5 IJBBRN S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)N1CC[C@H](c2ccccc2)C1 ZINC000408987702 556910235 /nfs/dbraw/zinc/91/02/35/556910235.db2.gz BQKYFBVULBWZJK-KRWDZBQOSA-N 0 0 442.544 4.741 40 5 IJBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 ZINC000019927294 556945368 /nfs/dbraw/zinc/94/53/68/556945368.db2.gz NLGWDDBWSWEVQN-UHFFFAOYSA-N 0 0 447.314 4.611 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000409168884 556983102 /nfs/dbraw/zinc/98/31/02/556983102.db2.gz OFCMDFUICZKBNU-CXUHLZMHSA-N 0 0 449.282 4.602 40 5 IJBBRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000014272934 557332709 /nfs/dbraw/zinc/33/27/09/557332709.db2.gz SNFWGYBNHOYFQF-UHFFFAOYSA-N 0 0 444.079 4.689 40 5 IJBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 ZINC000408563135 557417092 /nfs/dbraw/zinc/41/70/92/557417092.db2.gz JSQAOEVWTXODPY-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cccc1[N+](=O)[O-] ZINC000408576481 557420178 /nfs/dbraw/zinc/42/01/78/557420178.db2.gz VZQZGJTYWJHSCO-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 ZINC000408637815 557423604 /nfs/dbraw/zinc/42/36/04/557423604.db2.gz AFZFJGFVKNGGCR-SFHVURJKSA-N 0 0 445.475 4.996 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000223066179 557424847 /nfs/dbraw/zinc/42/48/47/557424847.db2.gz CPLDEDJNSSLCJH-FUMQJTLXSA-N 0 0 443.547 4.766 40 5 IJBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3O)oc2c1 ZINC000014270155 557429342 /nfs/dbraw/zinc/42/93/42/557429342.db2.gz LIJGNDPKIDBHBM-UHFFFAOYSA-N 0 0 448.460 4.544 40 5 IJBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)C ZINC000106741085 557532477 /nfs/dbraw/zinc/53/24/77/557532477.db2.gz KGSLCUZBEPCCAI-ODLFYWEKSA-N 0 0 428.466 4.627 40 5 IJBBRN CC(C)(C)c1ccc(OCCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000015304399 568755100 /nfs/dbraw/zinc/75/51/00/568755100.db2.gz NRBAJJZTMCKLRD-UHFFFAOYSA-N 0 0 446.447 4.677 40 5 IJBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1C ZINC000059176107 568780393 /nfs/dbraw/zinc/78/03/93/568780393.db2.gz UTUWPUXQBKYTCT-UHFFFAOYSA-N 0 0 448.888 4.558 40 5 IJBBRN Cc1nn(S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001464952 568819645 /nfs/dbraw/zinc/81/96/45/568819645.db2.gz MGJSMYLKRHQPFU-UHFFFAOYSA-N 0 0 431.539 4.722 40 5 IJBBRN O=C(O[C@@H]1CCCCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001709212 568879955 /nfs/dbraw/zinc/87/99/55/568879955.db2.gz FSXPLCYBQWUSEB-WOJBJXKFSA-N 0 0 442.424 4.608 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2c(Br)c1OC ZINC000017097340 569172856 /nfs/dbraw/zinc/17/28/56/569172856.db2.gz BJNQFPIBQLLJHO-UHFFFAOYSA-N 0 0 431.242 4.780 40 5 IJBBRN CCCCc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017095011 569173033 /nfs/dbraw/zinc/17/30/33/569173033.db2.gz ZKGOSVLAZZMKIU-UHFFFAOYSA-N 0 0 426.542 4.664 40 5 IJBBRN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017098952 569173680 /nfs/dbraw/zinc/17/36/80/569173680.db2.gz DRLBTXKLEOPNLH-UHFFFAOYSA-N 0 0 434.521 4.865 40 5 IJBBRN O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214986124 569213626 /nfs/dbraw/zinc/21/36/26/569213626.db2.gz IKBHHOCXGASWHX-OVCLIPMQSA-N 0 0 437.246 4.733 40 5 IJBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cccc1[N+](=O)[O-] ZINC000015438806 569225540 /nfs/dbraw/zinc/22/55/40/569225540.db2.gz NNWFBRQODDEOAP-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=C(Oc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002290469 569267809 /nfs/dbraw/zinc/26/78/09/569267809.db2.gz QWQOSQSPCQLQLF-UDWIEESQSA-N 0 0 448.818 4.812 40 5 IJBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000008831273 569290988 /nfs/dbraw/zinc/29/09/88/569290988.db2.gz WTHABRZAPNMFRA-UHFFFAOYSA-N 0 0 445.884 4.952 40 5 IJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc21 ZINC000010010667 569299086 /nfs/dbraw/zinc/29/90/86/569299086.db2.gz MQWIKUDYTHMHFN-UHFFFAOYSA-N 0 0 428.253 4.537 40 5 IJBBRN Cc1cc2nc(-c3ccc(CNC(=O)COc4ccccc4[N+](=O)[O-])cc3)oc2cc1C ZINC000010120455 569299403 /nfs/dbraw/zinc/29/94/03/569299403.db2.gz DMSQUYSMAGBLJI-UHFFFAOYSA-N 0 0 431.448 4.715 40 5 IJBBRN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000012062442 569303720 /nfs/dbraw/zinc/30/37/20/569303720.db2.gz RSBJEZXJRKBQLG-QORCZRPOSA-N 0 0 426.472 4.591 40 5 IJBBRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000019630643 569324197 /nfs/dbraw/zinc/32/41/97/569324197.db2.gz KWFAUITXRSBFBK-UHFFFAOYSA-N 0 0 439.855 4.667 40 5 IJBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000020142750 569335913 /nfs/dbraw/zinc/33/59/13/569335913.db2.gz VMODZRHXVLAPSX-UHFFFAOYSA-N 0 0 441.871 4.853 40 5 IJBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000020142986 569336004 /nfs/dbraw/zinc/33/60/04/569336004.db2.gz MLMUGSQRZKUTGS-UHFFFAOYSA-N 0 0 441.871 4.853 40 5 IJBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020142602 569336011 /nfs/dbraw/zinc/33/60/11/569336011.db2.gz QFGJYBYSCPMAJA-UHFFFAOYSA-N 0 0 435.480 4.898 40 5 IJBBRN O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000020436451 569365337 /nfs/dbraw/zinc/36/53/37/569365337.db2.gz CSSOQZYJWQRPTP-UHFFFAOYSA-N 0 0 433.936 4.723 40 5 IJBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1C ZINC000216032090 569423754 /nfs/dbraw/zinc/42/37/54/569423754.db2.gz YKWRKGOZHGYJKD-UHFFFAOYSA-N 0 0 448.888 4.558 40 5 IJBBRN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000057333657 569431143 /nfs/dbraw/zinc/43/11/43/569431143.db2.gz GEQUVQMDHRDIJP-UHFFFAOYSA-N 0 0 440.415 4.988 40 5 IJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000059433409 569461398 /nfs/dbraw/zinc/46/13/98/569461398.db2.gz ARNBKQMSGYPKIL-PGAZUGQPSA-N 0 0 438.483 4.864 40 5 IJBBRN O=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000038753227 569468765 /nfs/dbraw/zinc/46/87/65/569468765.db2.gz KSPWWKVNAODVNJ-HAVVHWLPSA-N 0 0 427.460 4.901 40 5 IJBBRN Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=S)NC2CCCCC2)C1 ZINC000008636104 291393181 /nfs/dbraw/zinc/39/31/81/291393181.db2.gz VWAGPMLAWAVPOL-IEBWSBKVSA-N 0 0 439.585 4.606 40 5 biogenic,in-vitro IJBBRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020609887 527305229 /nfs/dbraw/zinc/30/52/29/527305229.db2.gz DVHPZKALMQESAP-UHFFFAOYSA-N 0 0 425.404 4.841 40 5 IJBBRN O=[N+]([O-])c1cc(Cl)c(CCN2CCN(c3nsc4ccccc43)CC2)cc1Cl ZINC000022008785 527331093 /nfs/dbraw/zinc/33/10/93/527331093.db2.gz LDGIOUORLDAFOV-UHFFFAOYSA-N 0 0 437.352 4.876 40 5 IJBBRN COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cn3)n2)cc1OC ZINC000408546476 555801491 /nfs/dbraw/zinc/80/14/91/555801491.db2.gz JYSBSNKHCPTRKE-UHFFFAOYSA-N 0 0 438.387 4.634 40 5 IJBBRN Cc1ccc(C)n1N(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408680820 556615734 /nfs/dbraw/zinc/61/57/34/556615734.db2.gz GZIYHFFNDQLCMY-UHFFFAOYSA-N 0 0 428.286 4.754 40 5 IJBBRN O=C(OCCCCCCCCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000004991630 556617962 /nfs/dbraw/zinc/61/79/62/556617962.db2.gz PMOWJGDORYSNKC-UHFFFAOYSA-N 0 0 444.440 4.857 40 5 IJBBRN Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1C ZINC000408736922 556618867 /nfs/dbraw/zinc/61/88/67/556618867.db2.gz JUBQFTGPNJJDRP-QHCPKHFHSA-N 0 0 447.491 4.688 40 5 IJBBRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409105936 556630518 /nfs/dbraw/zinc/63/05/18/556630518.db2.gz PLTXTCJPHWEMHS-LICLKQGHSA-N 0 0 448.884 4.892 40 5 IJBBRN Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181020 556633357 /nfs/dbraw/zinc/63/33/57/556633357.db2.gz YJSUTLKVYUOQNF-RUZDIDTESA-N 0 0 446.459 4.789 40 5 IJBBRN Cc1ccc(-c2ccc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)o2)cc1[N+](=O)[O-] ZINC000409394019 556638783 /nfs/dbraw/zinc/63/87/83/556638783.db2.gz UMEZEGISOGJIKY-NHDPSOOVSA-N 0 0 431.473 4.550 40 5 IJBBRN COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c2ccccc21 ZINC000226767862 556685398 /nfs/dbraw/zinc/68/53/98/556685398.db2.gz QHJDZQIWFZXQKP-UHFFFAOYSA-N 0 0 434.404 4.602 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c(C)c1 ZINC000408921119 556891095 /nfs/dbraw/zinc/89/10/95/556891095.db2.gz DPIADDZLXZFRBY-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 ZINC000408917953 556891297 /nfs/dbraw/zinc/89/12/97/556891297.db2.gz DCNOCYLOZJPPCV-ZKKFKWFVSA-N 0 0 444.874 4.650 40 5 IJBBRN Cc1nnc(Sc2ccc(-c3nc4sc(C)c(C)c4c(=O)[nH]3)cc2[N+](=O)[O-])s1 ZINC000408987737 556910206 /nfs/dbraw/zinc/91/02/06/556910206.db2.gz BTVDJVWKTKKONA-UHFFFAOYSA-N 0 0 431.524 4.900 40 5 IJBBRN O=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408995744 556912103 /nfs/dbraw/zinc/91/21/03/556912103.db2.gz NBXWYTXVXRTLGF-UHFFFAOYSA-N 0 0 438.491 4.745 40 5 IJBBRN O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1F ZINC000409073461 556946493 /nfs/dbraw/zinc/94/64/93/556946493.db2.gz NHJUMUSUEQSTCP-VCHYOVAHSA-N 0 0 441.802 4.740 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409129999 556967364 /nfs/dbraw/zinc/96/73/64/556967364.db2.gz MXVGJYBDTGCGIV-UHFFFAOYSA-N 0 0 433.493 4.757 40 5 IJBBRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000409182602 556990014 /nfs/dbraw/zinc/99/00/14/556990014.db2.gz NAIOUZSBYPDCCT-UHFFFAOYSA-N 0 0 429.432 4.813 40 5 IJBBRN CCCN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409243794 557033454 /nfs/dbraw/zinc/03/34/54/557033454.db2.gz UJNMKJPPKLGWHN-KGENOOAVSA-N 0 0 431.448 4.630 40 5 IJBBRN COc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409259513 557036396 /nfs/dbraw/zinc/03/63/96/557036396.db2.gz ZZTGRQHAFJNXJQ-UHFFFAOYSA-N 0 0 434.364 4.620 40 5 IJBBRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=Cc1nc(O)c([N+](=O)[O-])c(O)n1 ZINC000409340080 557067867 /nfs/dbraw/zinc/06/78/67/557067867.db2.gz QDGSATUMAMMRNX-UTCJRWHESA-N 0 0 437.496 4.833 40 5 IJBBRN Cc1nc2ccccc2c2c(NC(=O)CCn3c4ccccc4n(C)c3=O)c3ccccc3n21 ZINC000014776233 557249683 /nfs/dbraw/zinc/24/96/83/557249683.db2.gz KZDRYUTXEVPZQF-UHFFFAOYSA-N 0 0 449.514 4.631 40 5 IJBBRN Cc1cccc(C)c1NC(=O)[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccccc1F ZINC000000830299 557280843 /nfs/dbraw/zinc/28/08/43/557280843.db2.gz RMNZQNKNANKIHQ-QFIPXVFZSA-N 0 0 435.455 4.803 40 5 IJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(C)cc1 ZINC000014082309 557298916 /nfs/dbraw/zinc/29/89/16/557298916.db2.gz SYFLSQUMDUWDHO-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN Cc1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cccc1[N+](=O)[O-] ZINC000014412662 557337259 /nfs/dbraw/zinc/33/72/59/557337259.db2.gz TWFWQZHLIIXHBQ-QFIPXVFZSA-N 0 0 437.477 4.523 40 5 IJBBRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408561504 557419178 /nfs/dbraw/zinc/41/91/78/557419178.db2.gz IZMZOGCQDVRMCY-VZCXRCSSSA-N 0 0 446.326 4.957 40 5 IJBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000408572588 557419566 /nfs/dbraw/zinc/41/95/66/557419566.db2.gz KSXAXXIDJUVPIE-ZRDIBKRKSA-N 0 0 437.883 4.870 40 5 IJBBRN Cc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000408644557 557424824 /nfs/dbraw/zinc/42/48/24/557424824.db2.gz GUTMPMRXEQMFPR-UHFFFAOYSA-N 0 0 441.267 4.551 40 5 IJBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014272103 557431483 /nfs/dbraw/zinc/43/14/83/557431483.db2.gz YKIDMSXPHVYICY-UHFFFAOYSA-N 0 0 443.463 4.959 40 5 IJBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OC ZINC000106722151 557531805 /nfs/dbraw/zinc/53/18/05/557531805.db2.gz ZNKQNCQELIOWPD-SXGWCWSVSA-N 0 0 434.857 4.502 40 5 IJBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OC ZINC000106740450 557532192 /nfs/dbraw/zinc/53/21/92/557532192.db2.gz QFZVJTMRHBCOQG-SXGWCWSVSA-N 0 0 434.857 4.502 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 ZINC000009823165 569220113 /nfs/dbraw/zinc/22/01/13/569220113.db2.gz FDLDWNHUFYFUAB-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033713572 569245940 /nfs/dbraw/zinc/24/59/40/569245940.db2.gz CHVIAEZZKPKDOK-UHFFFAOYSA-N 0 0 446.828 4.543 40 5 IJBBRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000107712552 569251017 /nfs/dbraw/zinc/25/10/17/569251017.db2.gz HSWOMJDHMDVEOA-UHFFFAOYSA-N 0 0 433.445 4.840 40 5 IJBBRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2CC)cc1 ZINC000108991786 569253433 /nfs/dbraw/zinc/25/34/33/569253433.db2.gz HVBPLNFJIIAHTL-HNNXBMFYSA-N 0 0 440.525 4.884 40 5 IJBBRN Cc1c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cccc1[N+](=O)[O-] ZINC000009064589 569293254 /nfs/dbraw/zinc/29/32/54/569293254.db2.gz XHTGYUOBSXIMPF-UHFFFAOYSA-N 0 0 444.310 4.946 40 5 IJBBRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013382063 569315235 /nfs/dbraw/zinc/31/52/35/569315235.db2.gz HXFQNTSJWBQPGI-UHFFFAOYSA-N 0 0 425.404 4.841 40 5 IJBBRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c([N+](=O)[O-])c1 ZINC000019929295 569332154 /nfs/dbraw/zinc/33/21/54/569332154.db2.gz VLAKWONAWPHSPS-UHFFFAOYSA-N 0 0 448.888 4.558 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020050790 569332770 /nfs/dbraw/zinc/33/27/70/569332770.db2.gz UNIZPZBZCMWGDP-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 ZINC000020140478 569335990 /nfs/dbraw/zinc/33/59/90/569335990.db2.gz YRHJMZTVXMNOTN-UHFFFAOYSA-N 0 0 434.404 4.868 40 5 IJBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc(C)c1OCC(C)C ZINC000225565346 569404370 /nfs/dbraw/zinc/40/43/70/569404370.db2.gz XJQIGDYEACYGFA-UHFFFAOYSA-N 0 0 426.513 4.933 40 5 IJBBRN Cc1ccc(C(=O)c2noc(-c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000003848928 569456692 /nfs/dbraw/zinc/45/66/92/569456692.db2.gz WLBRJGCWYZJBEZ-UHFFFAOYSA-N 0 0 448.456 4.622 40 5 IJBBRN Cc1cccc(C)c1NC(=O)CSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000059497617 569461643 /nfs/dbraw/zinc/46/16/43/569461643.db2.gz IPWTZJWXPXASDI-UHFFFAOYSA-N 0 0 429.376 4.869 40 5 IJBBRN CCOC(=O)c1ccc(COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2OC)cc1 ZINC000408605245 193974536 /nfs/dbraw/zinc/97/45/36/193974536.db2.gz LGWIICAHCMFSDK-XYOKQWHBSA-N 0 0 438.436 4.826 40 5 IJBBRN CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1nc2c(s1)CCc1occc1-2 ZINC000012117619 523855407 /nfs/dbraw/zinc/85/54/07/523855407.db2.gz ZEUWYEXCXXGWSI-UHFFFAOYSA-N 0 0 441.512 4.633 40 5 IJBBRN Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000016292915 524985690 /nfs/dbraw/zinc/98/56/90/524985690.db2.gz IBXZIIJLYPAIDE-LJQANCHMSA-N 0 0 446.459 4.792 40 5 IJBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000034931170 555567615 /nfs/dbraw/zinc/56/76/15/555567615.db2.gz CRQVSRHHQLMWCV-UHFFFAOYSA-N 0 0 434.905 4.504 40 5 IJBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2 ZINC000409355108 556637824 /nfs/dbraw/zinc/63/78/24/556637824.db2.gz BNIYEYUZFRGUBR-FRIZHTMISA-N 0 0 427.423 4.510 40 5 IJBBRN CCCN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000409353049 556638062 /nfs/dbraw/zinc/63/80/62/556638062.db2.gz YAEIRFQEELDPEK-LICLKQGHSA-N 0 0 429.410 4.742 40 5 IJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 ZINC000408923982 556892704 /nfs/dbraw/zinc/89/27/04/556892704.db2.gz IVEBRAATPLAXLC-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN COc1cc(C(=O)Nc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc(OC)c1OC ZINC000408975206 556905695 /nfs/dbraw/zinc/90/56/95/556905695.db2.gz KIVJZZFKRHHPQK-UHFFFAOYSA-N 0 0 428.448 4.542 40 5 IJBBRN O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1 ZINC000409013621 556920071 /nfs/dbraw/zinc/92/00/71/556920071.db2.gz CFCXIGBVBZYHBA-LICLKQGHSA-N 0 0 441.802 4.740 40 5 IJBBRN Cc1ccc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C ZINC000019927333 556945412 /nfs/dbraw/zinc/94/54/12/556945412.db2.gz KQHCMJRJDZGXQE-UHFFFAOYSA-N 0 0 433.873 4.802 40 5 IJBBRN CCC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178765 556987351 /nfs/dbraw/zinc/98/73/51/556987351.db2.gz OLINTASWWDXUBU-HSZRJFAPSA-N 0 0 432.432 4.724 40 5 IJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409180143 556988908 /nfs/dbraw/zinc/98/89/08/556988908.db2.gz PQCMRTSZHSLTGZ-HXUWFJFHSA-N 0 0 440.795 4.937 40 5 IJBBRN COc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1 ZINC000020140468 556989658 /nfs/dbraw/zinc/98/96/58/556989658.db2.gz BYNTYGDIFZDIIO-UHFFFAOYSA-N 0 0 434.404 4.868 40 5 IJBBRN CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(OC)cc1 ZINC000409198681 556995786 /nfs/dbraw/zinc/99/57/86/556995786.db2.gz JPKZASLFWWDSIR-XDOYNYLZSA-N 0 0 431.901 4.627 40 5 IJBBRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000014269903 557332385 /nfs/dbraw/zinc/33/23/85/557332385.db2.gz JSDNXFFALIPCDU-CQSZACIVSA-N 0 0 442.541 4.541 40 5 IJBBRN CN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229374 557343577 /nfs/dbraw/zinc/34/35/77/557343577.db2.gz XJEMEAXNSAXRRS-UHFFFAOYSA-N 0 0 443.718 4.559 40 5 IJBBRN Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000072242778 557344434 /nfs/dbraw/zinc/34/44/34/557344434.db2.gz NABDAKPKHZYXRL-UHFFFAOYSA-N 0 0 430.420 4.638 40 5 IJBBRN COc1ccc(NC(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)[nH]c2=O)c([N+](=O)[O-])c1 ZINC000072260250 557345358 /nfs/dbraw/zinc/34/53/58/557345358.db2.gz NKQWYEZVKDIRQS-UHFFFAOYSA-N 0 0 441.443 4.878 40 5 IJBBRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408561381 557418584 /nfs/dbraw/zinc/41/85/84/557418584.db2.gz IOKLMKNKJCQGCP-VZCXRCSSSA-N 0 0 446.872 4.756 40 5 IJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(SC)cc2)cc1 ZINC000408574555 557419737 /nfs/dbraw/zinc/41/97/37/557419737.db2.gz VEQISHKGTKTSRQ-IBGZPJMESA-N 0 0 430.555 4.806 40 5 IJBBRN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408602314 557420783 /nfs/dbraw/zinc/42/07/83/557420783.db2.gz CXDHYYZBPAMLMK-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000408604812 557421003 /nfs/dbraw/zinc/42/10/03/557421003.db2.gz FHJBMECHLQJKSU-UHFFFAOYSA-N 0 0 435.480 4.932 40 5 IJBBRN Cc1noc(/C=C/c2ccc(OCC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1[N+](=O)[O-] ZINC000408603753 557421077 /nfs/dbraw/zinc/42/10/77/557421077.db2.gz HDGYPKNHQCGRBR-QPJJXVBHSA-N 0 0 437.496 4.525 40 5 IJBBRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1C ZINC000408638223 557423927 /nfs/dbraw/zinc/42/39/27/557423927.db2.gz BUUSILVUTSKMCE-GOSISDBHSA-N 0 0 445.475 4.996 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000223066247 557424811 /nfs/dbraw/zinc/42/48/11/557424811.db2.gz CPLDEDJNSSLCJH-UZEJHQAJSA-N 0 0 443.547 4.766 40 5 IJBBRN Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408669540 557427180 /nfs/dbraw/zinc/42/71/80/557427180.db2.gz HNZPKCLDXHVHSK-UHFFFAOYSA-N 0 0 435.823 4.610 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 ZINC000260778453 557855345 /nfs/dbraw/zinc/85/53/45/557855345.db2.gz RPFGMBYKVVQZPW-HBUDHLSFSA-N 0 0 436.493 4.848 40 5 IJBBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000222897269 568736818 /nfs/dbraw/zinc/73/68/18/568736818.db2.gz MKXCPEITEIBVJI-LEWJYISDSA-N 0 0 438.509 4.641 40 5 IJBBRN COc1c(Cl)cc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl ZINC000016194499 568872548 /nfs/dbraw/zinc/87/25/48/568872548.db2.gz HXWMUJOYBLVVFP-UHFFFAOYSA-N 0 0 444.702 4.526 40 5 IJBBRN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2c(F)cccc2F)c1)c1c(F)cccc1F ZINC000016384108 568886146 /nfs/dbraw/zinc/88/61/46/568886146.db2.gz CUPOGEXSRGIRFQ-UHFFFAOYSA-N 0 0 433.317 4.656 40 5 IJBBRN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1-c1ccccc1 ZINC000006444238 568906872 /nfs/dbraw/zinc/90/68/72/568906872.db2.gz MTANXXPFLDZGHT-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2ccccc21 ZINC000017096755 569172819 /nfs/dbraw/zinc/17/28/19/569172819.db2.gz HOOPORSNSDJMTG-UHFFFAOYSA-N 0 0 430.283 4.637 40 5 IJBBRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000017094918 569172854 /nfs/dbraw/zinc/17/28/54/569172854.db2.gz IHVLZKSMTLHPEA-BJMVGYQFSA-N 0 0 426.523 4.854 40 5 IJBBRN O=C(Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000017096852 569172966 /nfs/dbraw/zinc/17/29/66/569172966.db2.gz ACFDOOCSSSSHLA-UHFFFAOYSA-N 0 0 430.464 4.700 40 5 IJBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)cc1Cl ZINC000017095286 569173078 /nfs/dbraw/zinc/17/30/78/569173078.db2.gz SETVUHDCRJDKIJ-UHFFFAOYSA-N 0 0 427.294 4.638 40 5 IJBBRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017098376 569173300 /nfs/dbraw/zinc/17/33/00/569173300.db2.gz RKPPJUGYAXTNJO-UHFFFAOYSA-N 0 0 433.445 4.840 40 5 IJBBRN COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017098731 569173661 /nfs/dbraw/zinc/17/36/61/569173661.db2.gz XDDFKCRWDZXOKQ-FARCUNLSSA-N 0 0 434.271 4.628 40 5 IJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000017101719 569173836 /nfs/dbraw/zinc/17/38/36/569173836.db2.gz LMPXFYPSSAEPNE-WTDSWWLTSA-N 0 0 437.818 4.773 40 5 IJBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000214956288 569205901 /nfs/dbraw/zinc/20/59/01/569205901.db2.gz AMQPTYYJKOZILU-CXUHLZMHSA-N 0 0 449.282 4.602 40 5 IJBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000035242341 569248554 /nfs/dbraw/zinc/24/85/54/569248554.db2.gz ZJSOMQZBRYPWBT-ZDUSSCGKSA-N 0 0 445.932 4.643 40 5 IJBBRN Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)o2)cc1[N+](=O)[O-] ZINC000009057067 569293301 /nfs/dbraw/zinc/29/33/01/569293301.db2.gz MXPUSYRGWANKBP-UHFFFAOYSA-N 0 0 436.449 4.543 40 5 IJBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1[N+](=O)[O-] ZINC000009199621 569294230 /nfs/dbraw/zinc/29/42/30/569294230.db2.gz SUCNRFNCYBOVNG-UHFFFAOYSA-N 0 0 425.514 4.717 40 5 IJBBRN CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000009323465 569295470 /nfs/dbraw/zinc/29/54/70/569295470.db2.gz CFFFRPRUGHIGAZ-FHXOWUIVSA-N 0 0 429.860 4.518 40 5 IJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(Cl)cc(Cl)c3OC)nc21 ZINC000010010580 569299088 /nfs/dbraw/zinc/29/90/88/569299088.db2.gz FNOFZHVNMIKKDI-UHFFFAOYSA-N 0 0 428.253 4.781 40 5 IJBBRN O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000019646805 569324905 /nfs/dbraw/zinc/32/49/05/569324905.db2.gz FOUNFWATBRKHCV-UHFFFAOYSA-N 0 0 448.228 4.883 40 5 IJBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(-c3ccc(CO)o3)c2)CC1 ZINC000020142846 569335985 /nfs/dbraw/zinc/33/59/85/569335985.db2.gz XWFMDDPFUBCURO-UHFFFAOYSA-N 0 0 435.480 4.836 40 5 IJBBRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000020412145 569363781 /nfs/dbraw/zinc/36/37/81/569363781.db2.gz XSPTZRMBQHURJM-UHFFFAOYSA-N 0 0 437.496 4.937 40 5 IJBBRN COc1c([N+](=O)[O-])cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000020528960 569371534 /nfs/dbraw/zinc/37/15/34/569371534.db2.gz BOXAUTBHMKEOAZ-UHFFFAOYSA-N 0 0 431.445 4.605 40 5 IJBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(Cl)cc1Cl ZINC000059200746 569460329 /nfs/dbraw/zinc/46/03/29/569460329.db2.gz XCFPRJZXFLKMJK-UHFFFAOYSA-N 0 0 425.253 4.682 40 5 IJBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)s1 ZINC000039752370 569481905 /nfs/dbraw/zinc/48/19/05/569481905.db2.gz WMGKJEJKBWFYPD-UHFFFAOYSA-N 0 0 449.448 4.519 40 5 IJBBRN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc3ccccc3c2n1 ZINC000040384510 569500843 /nfs/dbraw/zinc/50/08/43/569500843.db2.gz JZZCLRRJJFIDTJ-UHFFFAOYSA-N 0 0 445.544 4.733 40 5 IJBBRN Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)c1 ZINC000020796065 524840031 /nfs/dbraw/zinc/84/00/31/524840031.db2.gz UUBFQOANSXYGIH-KRWDZBQOSA-N 0 0 445.504 4.546 40 5 IJBBRN Cc1ccc(C)n1N(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000408689727 556616702 /nfs/dbraw/zinc/61/67/02/556616702.db2.gz YXKAJZKLFQABDS-UHFFFAOYSA-N 0 0 446.290 4.981 40 5 IJBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(C)C4=O)ccc1Br ZINC000408755268 556619789 /nfs/dbraw/zinc/61/97/89/556619789.db2.gz CQGWZQLRNDKATA-UHFFFAOYSA-N 0 0 425.238 4.712 40 5 IJBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 ZINC000408907206 556623228 /nfs/dbraw/zinc/62/32/28/556623228.db2.gz MQJNLVKUBDKAQW-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000409180763 556632791 /nfs/dbraw/zinc/63/27/91/556632791.db2.gz ZZZWPDMAHUBBNR-FQEVSTJZSA-N 0 0 440.795 4.937 40 5 IJBBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000408802972 556859744 /nfs/dbraw/zinc/85/97/44/556859744.db2.gz JTHQEJQGVRPAOK-UHFFFAOYSA-N 0 0 436.469 4.935 40 5 IJBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408918218 556891305 /nfs/dbraw/zinc/89/13/05/556891305.db2.gz HSCDYRXYILKYCV-NFJKTXFASA-N 0 0 444.874 4.650 40 5 IJBBRN S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCSCC1 ZINC000408975738 556905998 /nfs/dbraw/zinc/90/59/98/556905998.db2.gz MFTHHQZVPJLPIP-UHFFFAOYSA-N 0 0 442.573 4.625 40 5 IJBBRN COc1cc(C(=O)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc(OC)c1OC ZINC000408977668 556906916 /nfs/dbraw/zinc/90/69/16/556906916.db2.gz XDHBXYYWBAUIGX-UHFFFAOYSA-N 0 0 429.432 4.509 40 5 IJBBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409072637 556946278 /nfs/dbraw/zinc/94/62/78/556946278.db2.gz KBEHMUFJTDBREM-XDHOZWIPSA-N 0 0 428.466 4.629 40 5 IJBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 ZINC000409212272 557006901 /nfs/dbraw/zinc/00/69/01/557006901.db2.gz PHJYNUCXAYYGAG-WJDWOHSUSA-N 0 0 433.283 4.636 40 5 IJBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc([N+](=O)[O-])cc1)N2 ZINC000409350517 557078434 /nfs/dbraw/zinc/07/84/34/557078434.db2.gz RZQJWEYECKFFNH-MUKKUYKPSA-N 0 0 427.423 4.510 40 5 IJBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1C ZINC000409359591 557086252 /nfs/dbraw/zinc/08/62/52/557086252.db2.gz NBJZTSPKFKJJSO-MFOYZWKCSA-N 0 0 445.884 4.540 40 5 IJBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl ZINC000072229368 557343505 /nfs/dbraw/zinc/34/35/05/557343505.db2.gz XJEBXOMVTLLRIM-UHFFFAOYSA-N 0 0 430.675 4.644 40 5 IJBBRN CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013550485 557351053 /nfs/dbraw/zinc/35/10/53/557351053.db2.gz XFSPEZRUZBRIIP-XQNSMLJCSA-N 0 0 445.475 4.792 40 5 IJBBRN O=C1[C@H]2[C@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013562508 557352977 /nfs/dbraw/zinc/35/29/77/557352977.db2.gz OLOATPURPNDQGG-CJRSTVEYSA-N 0 0 439.471 4.660 40 5 IJBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C ZINC000408544851 557416239 /nfs/dbraw/zinc/41/62/39/557416239.db2.gz VPPNVXAJSUQOPE-ZRDIBKRKSA-N 0 0 437.452 4.786 40 5 IJBBRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408562949 557417196 /nfs/dbraw/zinc/41/71/96/557417196.db2.gz SMMVPGYMFNAULY-XDOYNYLZSA-N 0 0 431.901 4.856 40 5 IJBBRN COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC ZINC000408571024 557420193 /nfs/dbraw/zinc/42/01/93/557420193.db2.gz MWBBZWCAZQWNHY-IBGZPJMESA-N 0 0 448.932 4.665 40 5 IJBBRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 ZINC000408643227 557424806 /nfs/dbraw/zinc/42/48/06/557424806.db2.gz QOSRZMIAJCZFDT-QGZVFWFLSA-N 0 0 431.448 4.687 40 5 IJBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000106691926 557531400 /nfs/dbraw/zinc/53/14/00/557531400.db2.gz NMFDVABIJWMUNT-NVNXTCNLSA-N 0 0 437.246 4.733 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223358591 568818072 /nfs/dbraw/zinc/81/80/72/568818072.db2.gz VEFOHXYIFVFNCN-FGZHOGPDSA-N 0 0 445.504 4.546 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223358719 568818312 /nfs/dbraw/zinc/81/83/12/568818312.db2.gz VEFOHXYIFVFNCN-FCHUYYIVSA-N 0 0 445.504 4.546 40 5 IJBBRN Cc1c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1nc2ncccc2o1 ZINC000016250109 568874966 /nfs/dbraw/zinc/87/49/66/568874966.db2.gz HTWBXGYUKGDFBO-UHFFFAOYSA-N 0 0 447.476 4.542 40 5 IJBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000016385788 568886143 /nfs/dbraw/zinc/88/61/43/568886143.db2.gz JIBXJWNTXFPKHK-UHFFFAOYSA-N 0 0 427.294 4.638 40 5 IJBBRN O=[N+]([O-])c1ccc(NCCCCNc2ccc([N+](=O)[O-])c3cccnc23)c2ncccc12 ZINC000006445434 568906900 /nfs/dbraw/zinc/90/69/00/568906900.db2.gz FLKRMVNEPHRNFJ-UHFFFAOYSA-N 0 0 432.440 4.904 40 5 IJBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000224527179 568937178 /nfs/dbraw/zinc/93/71/78/568937178.db2.gz KXWLSOSJJIWHED-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017095007 569173035 /nfs/dbraw/zinc/17/30/35/569173035.db2.gz QIEQKTGRDKAVLC-OAHLLOKOSA-N 0 0 426.542 4.835 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2C)cc1 ZINC000010370001 569224143 /nfs/dbraw/zinc/22/41/43/569224143.db2.gz BSXBEXVJIUPTBU-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1C ZINC000015529244 569225484 /nfs/dbraw/zinc/22/54/84/569225484.db2.gz LTOZSWCYOKENFU-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 ZINC000033382444 569243666 /nfs/dbraw/zinc/24/36/66/569243666.db2.gz UQOWYFFQNYMDNG-UHFFFAOYSA-N 0 0 425.466 4.607 40 5 IJBBRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c(Cl)c1 ZINC000108979823 569253305 /nfs/dbraw/zinc/25/33/05/569253305.db2.gz SCLQNVBXVPUIPR-UHFFFAOYSA-N 0 0 442.947 4.509 40 5 IJBBRN O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215252222 569290179 /nfs/dbraw/zinc/29/01/79/569290179.db2.gz YGQAUXZDYMHILY-OVCLIPMQSA-N 0 0 437.246 4.733 40 5 IJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000009642623 569297588 /nfs/dbraw/zinc/29/75/88/569297588.db2.gz ROUQVTNZWFZXOS-NSHDSACASA-N 0 0 428.539 4.764 40 5 IJBBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3[C@H](c4ccccn4)N=C4SCCN43)cc2)cc1 ZINC000068561771 569303815 /nfs/dbraw/zinc/30/38/15/569303815.db2.gz VLTYGZMLUQSMAK-FCHUYYIVSA-N 0 0 432.505 4.770 40 5 IJBBRN O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1cccc(C(F)(F)F)c1 ZINC000013028215 569307256 /nfs/dbraw/zinc/30/72/56/569307256.db2.gz OREZGIKUMUOFMY-UHFFFAOYSA-N 0 0 439.393 4.963 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000013305418 569312839 /nfs/dbraw/zinc/31/28/39/569312839.db2.gz PWKBVOSYDXTGAV-UHFFFAOYSA-N 0 0 434.408 4.624 40 5 IJBBRN CC1CCN(c2ccc(C(=O)Nc3cccc(-c4ccc(CO)o4)c3)cc2[N+](=O)[O-])CC1 ZINC000020142650 569336015 /nfs/dbraw/zinc/33/60/15/569336015.db2.gz FFGFYWYXRTWFIQ-UHFFFAOYSA-N 0 0 435.480 4.836 40 5 IJBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(F)(F)F ZINC000225770436 569408327 /nfs/dbraw/zinc/40/83/27/569408327.db2.gz RJGOWGVRTRIJMW-UHFFFAOYSA-N 0 0 438.402 4.699 40 5 IJBBRN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000057333407 569431086 /nfs/dbraw/zinc/43/10/86/569431086.db2.gz GSJRHLHBXHUFJU-UHFFFAOYSA-N 0 0 440.415 4.988 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000059132880 569459445 /nfs/dbraw/zinc/45/94/45/569459445.db2.gz ZPWBMQFDBBTLGY-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1ncnc2sc3c(c21)CCCC3 ZINC000008441355 569464442 /nfs/dbraw/zinc/46/44/42/569464442.db2.gz GPUWSWZQYBWMSQ-LBPRGKRZSA-N 0 0 428.539 4.906 40 5 IJBBRN Cc1cc2sc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2cc1Cl ZINC000016284300 569584023 /nfs/dbraw/zinc/58/40/23/569584023.db2.gz ZUGNMRGWWVSNKX-UHFFFAOYSA-N 0 0 441.321 4.947 40 5 IJBBRN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372867 132335677 /nfs/dbraw/zinc/33/56/77/132335677.db2.gz GKNVNEHISROXET-UHFFFAOYSA-N 0 0 429.904 4.535 40 5 IJBBRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000021005574 520542680 /nfs/dbraw/zinc/54/26/80/520542680.db2.gz KKDCLGDPFWQVPJ-HSZRJFAPSA-N 0 0 440.459 4.934 40 5 IJBBRN Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000021581221 524525330 /nfs/dbraw/zinc/52/53/30/524525330.db2.gz YUSLJMJBWJBZQK-UHFFFAOYSA-N 0 0 427.460 4.900 40 5 IJBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020610942 525688626 /nfs/dbraw/zinc/68/86/26/525688626.db2.gz BVPLEYLPFXGCQT-CSKARUKUSA-N 0 0 433.855 4.942 40 5 IJBBRN Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1 ZINC000020632458 525987314 /nfs/dbraw/zinc/98/73/14/525987314.db2.gz WCSYTUOERBIVIB-QGZVFWFLSA-N 0 0 445.504 4.546 40 5 IJBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1C ZINC000408918050 556623565 /nfs/dbraw/zinc/62/35/65/556623565.db2.gz FNRUCCWREOJEFG-AYIBLLACSA-N 0 0 438.483 4.782 40 5 IJBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000409162982 556631809 /nfs/dbraw/zinc/63/18/09/556631809.db2.gz KFVNORHKWUMRCA-SXGWCWSVSA-N 0 0 445.884 4.540 40 5 IJBBRN O=[N+]([O-])c1ccc([C@@H]2Sc3nnc(COc4ccccc4)n3N=C2c2ccccc2)cc1 ZINC000409194902 556633933 /nfs/dbraw/zinc/63/39/33/556633933.db2.gz FHAJJTNHVJDZEJ-QFIPXVFZSA-N 0 0 443.488 4.865 40 5 IJBBRN Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409332974 556637197 /nfs/dbraw/zinc/63/71/97/556637197.db2.gz UARNGGNDIBVQFH-UHFFFAOYSA-N 0 0 443.872 4.521 40 5 IJBBRN O=c1c2cc3c(ccn(Cc4ccccc4Cl)c3=O)nc2ccn1CCc1ccccc1 ZINC000040398843 556640816 /nfs/dbraw/zinc/64/08/16/556640816.db2.gz PKEMUOLMEXDGBO-UHFFFAOYSA-N 0 0 441.918 4.656 40 5 IJBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1 ZINC000248133998 556668725 /nfs/dbraw/zinc/66/87/25/556668725.db2.gz BYUOUEPAUVDNDL-UHFFFAOYSA-N 0 0 432.432 4.504 40 5 IJBBRN COc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)c(OC)c1 ZINC000408840819 556867449 /nfs/dbraw/zinc/86/74/49/556867449.db2.gz BWXIHELLIVLAIA-VGOFMYFVSA-N 0 0 444.852 4.825 40 5 IJBBRN O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1 ZINC000409018482 556919812 /nfs/dbraw/zinc/91/98/12/556919812.db2.gz HMDZPWZSIHDTGN-VCHYOVAHSA-N 0 0 441.802 4.740 40 5 IJBBRN Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181021 556989350 /nfs/dbraw/zinc/98/93/50/556989350.db2.gz YJSUTLKVYUOQNF-VWLOTQADSA-N 0 0 446.459 4.789 40 5 IJBBRN Cc1ccc(Cl)cc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409182500 556989966 /nfs/dbraw/zinc/98/99/66/556989966.db2.gz LRLFDWLJCVCIFW-UHFFFAOYSA-N 0 0 430.869 4.642 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)c1ccccc1 ZINC000409226048 557014088 /nfs/dbraw/zinc/01/40/88/557014088.db2.gz SNMCTRQIMRSOCK-UDWIEESQSA-N 0 0 434.429 4.774 40 5 IJBBRN CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccccc1 ZINC000408560926 557417352 /nfs/dbraw/zinc/41/73/52/557417352.db2.gz FRXMEQMGCVHLAW-FCQUAONHSA-N 0 0 425.510 4.847 40 5 IJBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC000408567100 557418449 /nfs/dbraw/zinc/41/84/49/557418449.db2.gz GLOZPSODHCGESE-IBGZPJMESA-N 0 0 448.932 4.747 40 5 IJBBRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 ZINC000408563099 557419158 /nfs/dbraw/zinc/41/91/58/557419158.db2.gz IMZMSWZSAJNPQJ-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nn12 ZINC000408575195 557419568 /nfs/dbraw/zinc/41/95/68/557419568.db2.gz SMASQTAKPIWPDF-UHFFFAOYSA-N 0 0 446.448 4.582 40 5 IJBBRN O=[N+]([O-])c1ccc(N2N=N[C@@H](c3ccccc3)[C@@]2(c2ccccc2)N2CCOCC2)cc1 ZINC000004972182 557420776 /nfs/dbraw/zinc/42/07/76/557420776.db2.gz ONWMVGCMRGVUNF-ZEQRLZLVSA-N 0 0 429.480 4.709 40 5 IJBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 ZINC000225872884 557787727 /nfs/dbraw/zinc/78/77/27/557787727.db2.gz ZADSYHRZGYPWAM-UHFFFAOYSA-N 0 0 435.480 4.619 40 5 IJBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)OC1CCCCC1 ZINC000000888306 557851611 /nfs/dbraw/zinc/85/16/11/557851611.db2.gz KHISEOCDIRSXNE-UHFFFAOYSA-N 0 0 438.509 4.811 40 5 IJBBRN CCCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1OCC ZINC000008829254 562964605 /nfs/dbraw/zinc/96/46/05/562964605.db2.gz VGKIEZXDAPUADN-UHFFFAOYSA-N 0 0 429.473 4.773 40 5 IJBBRN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001192966 568736649 /nfs/dbraw/zinc/73/66/49/568736649.db2.gz BAAZSWCSQDSNSH-DEDYPNTBSA-N 0 0 430.416 4.527 40 5 IJBBRN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000016323099 568876912 /nfs/dbraw/zinc/87/69/12/568876912.db2.gz PXNNSAAMNOGGPS-UHFFFAOYSA-N 0 0 435.446 4.874 40 5 IJBBRN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000138770114 569112800 /nfs/dbraw/zinc/11/28/00/569112800.db2.gz USIXQCUDQQDGQX-UHFFFAOYSA-N 0 0 441.443 4.914 40 5 IJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000017097206 569172635 /nfs/dbraw/zinc/17/26/35/569172635.db2.gz JCLWMGXEMQBNHY-FNORWQNLSA-N 0 0 430.829 4.932 40 5 IJBBRN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017103104 569173383 /nfs/dbraw/zinc/17/33/83/569173383.db2.gz BHAHJLDIDUGFAH-UHFFFAOYSA-N 0 0 439.324 4.629 40 5 IJBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000017098249 569173720 /nfs/dbraw/zinc/17/37/20/569173720.db2.gz BGVBXVDVWWXWKR-UHFFFAOYSA-N 0 0 432.933 4.674 40 5 IJBBRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cccs1 ZINC000017097712 569173801 /nfs/dbraw/zinc/17/38/01/569173801.db2.gz NWXWGGXSWAETSN-UHFFFAOYSA-N 0 0 431.857 4.823 40 5 IJBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccccc2)cc1 ZINC000017098861 569173829 /nfs/dbraw/zinc/17/38/29/569173829.db2.gz HBDUAWNORRHMAQ-UHFFFAOYSA-N 0 0 434.502 4.998 40 5 IJBBRN COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N32)cc1 ZINC000009319562 569295393 /nfs/dbraw/zinc/29/53/93/569295393.db2.gz RSBJEZXJRKBQLG-ZGFBMJKBSA-N 0 0 426.472 4.591 40 5 IJBBRN COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1 ZINC000009524255 569297164 /nfs/dbraw/zinc/29/71/64/569297164.db2.gz PGMOKPXIUVCHPT-QORCZRPOSA-N 0 0 426.472 4.591 40 5 IJBBRN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000010315215 569299652 /nfs/dbraw/zinc/29/96/52/569299652.db2.gz VJNVWHWQYNSFET-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(C(F)(F)F)cc1 ZINC000013028216 569307279 /nfs/dbraw/zinc/30/72/79/569307279.db2.gz IUEIARZJQXMHDU-UHFFFAOYSA-N 0 0 439.393 4.963 40 5 IJBBRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019631572 569323985 /nfs/dbraw/zinc/32/39/85/569323985.db2.gz IOFSJKWMCDAMCI-HSZRJFAPSA-N 0 0 440.459 4.934 40 5 IJBBRN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000019929031 569332152 /nfs/dbraw/zinc/33/21/52/569332152.db2.gz OYIVECPJONQZMC-UHFFFAOYSA-N 0 0 439.280 4.606 40 5 IJBBRN O=C(Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2s1)c1ccco1 ZINC000020411030 569363837 /nfs/dbraw/zinc/36/38/37/569363837.db2.gz KGFLPDSZBBRZCU-UHFFFAOYSA-N 0 0 442.840 4.956 40 5 IJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000057313364 569430608 /nfs/dbraw/zinc/43/06/08/569430608.db2.gz PTYGYDRCECKTJB-UHFFFAOYSA-N 0 0 432.864 4.953 40 5 IJBBRN O=[N+]([O-])c1ccc(Cc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000008835918 569477951 /nfs/dbraw/zinc/47/79/51/569477951.db2.gz XZPVELYCHKRYNB-UHFFFAOYSA-N 0 0 447.310 4.749 40 5 IJBBRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)nc2cc1Cl ZINC000016284237 569584019 /nfs/dbraw/zinc/58/40/19/569584019.db2.gz YDRYMWYLJZLGRA-AATRIKPKSA-N 0 0 432.914 4.693 40 5 IJBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1C ZINC000408694803 556096804 /nfs/dbraw/zinc/09/68/04/556096804.db2.gz MOAXOGHKVUHYAF-UHFFFAOYSA-N 0 0 431.427 4.851 40 5 IJBBRN O=C1[C@H]2[C@@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000229904216 556406641 /nfs/dbraw/zinc/40/66/41/556406641.db2.gz OLOATPURPNDQGG-NVPYSNMXSA-N 0 0 439.471 4.660 40 5 IJBBRN CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408673788 556615110 /nfs/dbraw/zinc/61/51/10/556615110.db2.gz VJFFRQMCNRQRLA-UHFFFAOYSA-N 0 0 443.459 4.773 40 5 IJBBRN Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408673375 556615115 /nfs/dbraw/zinc/61/51/15/556615115.db2.gz RRVFTPMWIHMTBE-UHFFFAOYSA-N 0 0 435.823 4.610 40 5 IJBBRN Cc1ccc(C)n1N(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000408687529 556616696 /nfs/dbraw/zinc/61/66/96/556616696.db2.gz UOBFBZBUKILTFK-UHFFFAOYSA-N 0 0 446.290 4.981 40 5 IJBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408714657 556617232 /nfs/dbraw/zinc/61/72/32/556617232.db2.gz UFXBKDSWKJIPKW-UHFFFAOYSA-N 0 0 428.876 4.868 40 5 IJBBRN Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 ZINC000408736752 556618704 /nfs/dbraw/zinc/61/87/04/556618704.db2.gz GXJDNFKRXROFGC-QHCPKHFHSA-N 0 0 447.491 4.688 40 5 IJBBRN O=C(Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408737687 556619245 /nfs/dbraw/zinc/61/92/45/556619245.db2.gz VDOBPRWKLLKMTK-UYRXBGFRSA-N 0 0 448.818 4.812 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000408918353 556623584 /nfs/dbraw/zinc/62/35/84/556623584.db2.gz JLFBKHVVHCZBJU-ZKKFKWFVSA-N 0 0 444.874 4.650 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2cc([N+](=O)[O-])ccc2Cl)C1=O)c1ccc(Cl)cc1 ZINC000409345138 556637591 /nfs/dbraw/zinc/63/75/91/556637591.db2.gz KPRNZELXEQZADN-PXNMLYILSA-N 0 0 437.260 4.821 40 5 IJBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000408917952 556891258 /nfs/dbraw/zinc/89/12/58/556891258.db2.gz DCNOCYLOZJPPCV-YCIYHOANSA-N 0 0 444.874 4.650 40 5 IJBBRN COc1cc(-c2ccc(-c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)cc([N+](=O)[O-])c1OC ZINC000408983834 556907969 /nfs/dbraw/zinc/90/79/69/556907969.db2.gz DJVFLGSFDRUEOA-UHFFFAOYSA-N 0 0 427.438 4.866 40 5 IJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 ZINC000409177984 556986610 /nfs/dbraw/zinc/98/66/10/556986610.db2.gz FJUHUSUCBSXREL-SFHVURJKSA-N 0 0 430.210 4.731 40 5 IJBBRN Cc1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000409267946 557039611 /nfs/dbraw/zinc/03/96/11/557039611.db2.gz XCOUHBGGRAGMMM-DEOSSOPVSA-N 0 0 447.516 4.930 40 5 IJBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc([N+](=O)[O-])cc1)N2 ZINC000409350526 557078456 /nfs/dbraw/zinc/07/84/56/557078456.db2.gz RZQJWEYECKFFNH-WTANOLMUSA-N 0 0 427.423 4.510 40 5 IJBBRN Cc1ccc(-c2n/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)sn2Cc2ccccc2)cc1 ZINC000102431501 557322251 /nfs/dbraw/zinc/32/22/51/557322251.db2.gz ZGVHVIXUOYSAMW-WJTDDFOZSA-N 0 0 430.489 4.618 40 5 IJBBRN COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408565292 557417220 /nfs/dbraw/zinc/41/72/20/557417220.db2.gz BPXKZDZDOZSFJV-LJQANCHMSA-N 0 0 448.932 4.665 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000014153638 557424162 /nfs/dbraw/zinc/42/41/62/557424162.db2.gz OTQASPINPDOPFJ-QFIPXVFZSA-N 0 0 437.477 4.523 40 5 IJBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000109234654 557545854 /nfs/dbraw/zinc/54/58/54/557545854.db2.gz MOYINABKYROGIY-UHFFFAOYSA-N 0 0 439.280 4.991 40 5 IJBBRN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@@H]2CCCO2)cc1 ZINC000000876219 557841229 /nfs/dbraw/zinc/84/12/29/557841229.db2.gz OJZAZFQIPDCQEP-KRWDZBQOSA-N 0 0 430.917 4.978 40 5 IJBBRN Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 ZINC000006280251 568881504 /nfs/dbraw/zinc/88/15/04/568881504.db2.gz VRQBSASMWQKZPN-HNNXBMFYSA-N 0 0 449.492 4.863 40 5 IJBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)c1 ZINC000006442766 568906924 /nfs/dbraw/zinc/90/69/24/568906924.db2.gz ZKBUBAHRVWVPGJ-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000006924899 569109444 /nfs/dbraw/zinc/10/94/44/569109444.db2.gz SEVFJMYFKIJJJA-QFIPXVFZSA-N 0 0 446.419 4.503 40 5 IJBBRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017095008 569172818 /nfs/dbraw/zinc/17/28/18/569172818.db2.gz QIEQKTGRDKAVLC-HNNXBMFYSA-N 0 0 426.542 4.835 40 5 IJBBRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000017098860 569173463 /nfs/dbraw/zinc/17/34/63/569173463.db2.gz ZKNCRLFZRAJMIU-UHFFFAOYSA-N 0 0 434.502 4.998 40 5 IJBBRN O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017100823 569173562 /nfs/dbraw/zinc/17/35/62/569173562.db2.gz KRNZHUSEHISGNC-UHFFFAOYSA-N 0 0 436.896 4.504 40 5 IJBBRN Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017098252 569173767 /nfs/dbraw/zinc/17/37/67/569173767.db2.gz DZFIISOAPRLENN-UHFFFAOYSA-N 0 0 432.933 4.674 40 5 IJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000032686006 569243552 /nfs/dbraw/zinc/24/35/52/569243552.db2.gz CWSBIKRYHQAYRM-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034689640 569247211 /nfs/dbraw/zinc/24/72/11/569247211.db2.gz HALSHJASQADEBA-UHFFFAOYSA-N 0 0 446.282 4.744 40 5 IJBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] ZINC000058059022 569249623 /nfs/dbraw/zinc/24/96/23/569249623.db2.gz TXLFJKPQKLPZCE-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=C(NC(=S)Nc1cccc(Br)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108914366 569253025 /nfs/dbraw/zinc/25/30/25/569253025.db2.gz XGFHCTRVOJMEEV-UHFFFAOYSA-N 0 0 446.282 4.744 40 5 IJBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)oc2c1 ZINC000009064896 569293397 /nfs/dbraw/zinc/29/33/97/569293397.db2.gz TUKPOJVBOGSNLQ-UHFFFAOYSA-N 0 0 448.460 4.544 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 ZINC000009142365 569293949 /nfs/dbraw/zinc/29/39/49/569293949.db2.gz YBRWWDUMRWHXFN-UHFFFAOYSA-N 0 0 441.896 4.954 40 5 IJBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)cc2[N+](=O)[O-])CC1 ZINC000020142662 569335963 /nfs/dbraw/zinc/33/59/63/569335963.db2.gz NFQYEKXUKQOPKS-UHFFFAOYSA-N 0 0 435.480 4.836 40 5 IJBBRN CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C)n1 ZINC000225865943 569409390 /nfs/dbraw/zinc/40/93/90/569409390.db2.gz ZKEBNAWBEHZSPE-UHFFFAOYSA-N 0 0 427.501 4.554 40 5 IJBBRN Cc1nccn1-c1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000030758393 569447692 /nfs/dbraw/zinc/44/76/92/569447692.db2.gz GTORDHWHBIKLCH-KOEQRZSOSA-N 0 0 438.487 4.946 40 5 IJBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cc(Cl)ccc1Cl ZINC000059200747 569460295 /nfs/dbraw/zinc/46/02/95/569460295.db2.gz CJWVJMSBTXSJMW-UHFFFAOYSA-N 0 0 425.253 4.682 40 5 IJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000059433412 569461408 /nfs/dbraw/zinc/46/14/08/569461408.db2.gz ARNBKQMSGYPKIL-ZOVQAKDCSA-N 0 0 438.483 4.864 40 5 IJBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000059477633 569461532 /nfs/dbraw/zinc/46/15/32/569461532.db2.gz PNAVVGWFFZEKEO-DHZHZOJOSA-N 0 0 437.883 4.870 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038856358 569469289 /nfs/dbraw/zinc/46/92/89/569469289.db2.gz FEOFENUXTBPAJT-UHFFFAOYSA-N 0 0 438.311 4.761 40 5 IJBBRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000016449317 569583596 /nfs/dbraw/zinc/58/35/96/569583596.db2.gz FYYNVDUGWJEFEO-UHFFFAOYSA-N 0 0 427.294 4.638 40 5 IJBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 ZINC000032119009 569583692 /nfs/dbraw/zinc/58/36/92/569583692.db2.gz YFAJZVWAKORNPH-UHFFFAOYSA-N 0 0 428.539 4.982 40 5 IJBBRN Cc1cc2cc(C)c(C)cc2n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc12 ZINC000012470050 525639247 /nfs/dbraw/zinc/63/92/47/525639247.db2.gz XESXIQMHZMCQEE-UHFFFAOYSA-N 0 0 435.509 4.755 40 5 IJBBRN O=Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000035668629 527144365 /nfs/dbraw/zinc/14/43/65/527144365.db2.gz XJQWDHIXZLVEPA-UHFFFAOYSA-N 0 0 446.007 4.633 40 5 IJBBRN Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1C ZINC000408736920 556619249 /nfs/dbraw/zinc/61/92/49/556619249.db2.gz JUBQFTGPNJJDRP-HSZRJFAPSA-N 0 0 447.491 4.688 40 5 IJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1 ZINC000408908643 556886996 /nfs/dbraw/zinc/88/69/96/556886996.db2.gz XCSHCDXKOBLFHN-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)C1 ZINC000408974737 556905379 /nfs/dbraw/zinc/90/53/79/556905379.db2.gz CWFNQDSESXMKBM-QGZVFWFLSA-N 0 0 446.576 4.718 40 5 IJBBRN O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N(CCO)c1ccccc1 ZINC000408977565 556906922 /nfs/dbraw/zinc/90/69/22/556906922.db2.gz WRMLRSGRCHEZAC-UHFFFAOYSA-N 0 0 445.482 4.519 40 5 IJBBRN O=C1C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)NC(=S)N1C1CCCCC1 ZINC000409077344 556944215 /nfs/dbraw/zinc/94/42/15/556944215.db2.gz DUQFCDQBMCHNJV-STZFKDTASA-N 0 0 437.521 4.564 40 5 IJBBRN CC(=O)Nc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000409183045 556990215 /nfs/dbraw/zinc/99/02/15/556990215.db2.gz QMUSYNYRWPELDS-HSZRJFAPSA-N 0 0 432.432 4.643 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409342835 557070362 /nfs/dbraw/zinc/07/03/62/557070362.db2.gz HNALNGPMIQTJCI-CXUHLZMHSA-N 0 0 436.367 4.533 40 5 IJBBRN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014738961 557168832 /nfs/dbraw/zinc/16/88/32/557168832.db2.gz HEHFRMZSZMNJNI-UHFFFAOYSA-N 0 0 425.828 4.518 40 5 IJBBRN Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000000822229 557266391 /nfs/dbraw/zinc/26/63/91/557266391.db2.gz XCUCXXGMZJVQHJ-HZHRSRAPSA-N 0 0 429.476 4.930 40 5 IJBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000014270416 557332374 /nfs/dbraw/zinc/33/23/74/557332374.db2.gz POPHBEDLOAWSRG-UHFFFAOYSA-N 0 0 441.321 4.748 40 5 IJBBRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408563712 557416816 /nfs/dbraw/zinc/41/68/16/557416816.db2.gz WTJWYKSZQOIRQA-UHFFFAOYSA-N 0 0 438.343 4.898 40 5 IJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(C)c1 ZINC000014082083 557418613 /nfs/dbraw/zinc/41/86/13/557418613.db2.gz UHXIZKDLTRHHPZ-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 ZINC000408637782 557423642 /nfs/dbraw/zinc/42/36/42/557423642.db2.gz ABSIYVNWTZSSMF-GOSISDBHSA-N 0 0 445.475 4.996 40 5 IJBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1cc(Cl)ccc1OC ZINC000408637658 557423689 /nfs/dbraw/zinc/42/36/89/557423689.db2.gz MNIIIXUUBDXIFO-UHFFFAOYSA-N 0 0 435.849 4.595 40 5 IJBBRN Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408640009 557424290 /nfs/dbraw/zinc/42/42/90/557424290.db2.gz HVWAQBASGNEGSK-QGZVFWFLSA-N 0 0 431.448 4.687 40 5 IJBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1[N+](=O)[O-] ZINC000014270586 557429923 /nfs/dbraw/zinc/42/99/23/557429923.db2.gz VVFFCQRBADEBBI-UHFFFAOYSA-N 0 0 447.476 4.542 40 5 IJBBRN O=C(OCc1ccccc1)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 ZINC000002762285 568789040 /nfs/dbraw/zinc/78/90/40/568789040.db2.gz QENKFOJWYJOILI-UHFFFAOYSA-N 0 0 433.463 4.861 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224031972 568886048 /nfs/dbraw/zinc/88/60/48/568886048.db2.gz PMFDPILGNOMNMT-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CCOc1ccc(Nc2nc(Nc3ccc(OC)cc3OC)nc(C)c2[N+](=O)[O-])cc1 ZINC000016691778 568938120 /nfs/dbraw/zinc/93/81/20/568938120.db2.gz WGQWQFJWAYAQHM-UHFFFAOYSA-N 0 0 425.445 4.596 40 5 IJBBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)N(C)C2=S)cc1 ZINC000016691684 568938169 /nfs/dbraw/zinc/93/81/69/568938169.db2.gz BTMLMCBDNNXPRP-ZHZULCJRSA-N 0 0 449.488 4.858 40 5 IJBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017100207 569173302 /nfs/dbraw/zinc/17/33/02/569173302.db2.gz LNNSLCPQWIHTLK-UHFFFAOYSA-N 0 0 436.493 4.582 40 5 IJBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017098250 569173825 /nfs/dbraw/zinc/17/38/25/569173825.db2.gz LPNWSOVEIVEFFO-UHFFFAOYSA-N 0 0 432.933 4.611 40 5 IJBBRN COc1ccc(C(=O)COc2ccc3c(c2)c2ccnc4c2n3c(=O)c2ccccc24)cc1 ZINC000524732206 569188648 /nfs/dbraw/zinc/18/86/48/569188648.db2.gz JFNVCPFUZVZLLQ-UHFFFAOYSA-N 0 0 434.451 4.862 40 5 biogenic IJBBRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(OCC)c1 ZINC000214908549 569191512 /nfs/dbraw/zinc/19/15/12/569191512.db2.gz ZNUDRUZDNYVBCT-YBFXNURJSA-N 0 0 428.466 4.629 40 5 IJBBRN O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000002206275 569191758 /nfs/dbraw/zinc/19/17/58/569191758.db2.gz WINBUAMCNNPMAD-UHFFFAOYSA-N 0 0 433.392 4.583 40 5 IJBBRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000010314873 569222758 /nfs/dbraw/zinc/22/27/58/569222758.db2.gz JQZJSHJAHVMSCX-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2Cl)o1 ZINC000008902529 569292026 /nfs/dbraw/zinc/29/20/26/569292026.db2.gz GNRYBCXCJKPLDH-UHFFFAOYSA-N 0 0 427.844 4.597 40 5 IJBBRN O=C(NC(=S)Nc1ccccc1Br)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000009064613 569293269 /nfs/dbraw/zinc/29/32/69/569293269.db2.gz BFPSTUKAJNVSRW-UHFFFAOYSA-N 0 0 446.282 4.744 40 5 IJBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Br)cc32)cc1 ZINC000013388717 569315372 /nfs/dbraw/zinc/31/53/72/569315372.db2.gz JUPNLWCMZULSLY-UHFFFAOYSA-N 0 0 439.244 4.930 40 5 IJBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)c([N+](=O)[O-])c1 ZINC000020140691 569335837 /nfs/dbraw/zinc/33/58/37/569335837.db2.gz TXIIGUPIYHKQAO-UHFFFAOYSA-N 0 0 434.404 4.868 40 5 IJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225589060 569404873 /nfs/dbraw/zinc/40/48/73/569404873.db2.gz CXSBHRRNSZVOHU-UZLBHIALSA-N 0 0 445.947 4.513 40 5 IJBBRN O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991525 569409933 /nfs/dbraw/zinc/40/99/33/569409933.db2.gz JHXSGMSDKIJTRX-UHFFFAOYSA-N 0 0 441.531 4.560 40 5 IJBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3N3CCOCC3)o2)cc1Cl ZINC000020611841 525748307 /nfs/dbraw/zinc/74/83/07/525748307.db2.gz AQJBKKFEZGEEGQ-UHFFFAOYSA-N 0 0 441.871 4.906 40 5 IJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020611840 527263149 /nfs/dbraw/zinc/26/31/49/527263149.db2.gz DQXUFPZCJXDQHF-UHFFFAOYSA-N 0 0 445.834 4.736 40 5 IJBBRN CCOC(=O)C1CCN(C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)CC1 ZINC000034882457 555553172 /nfs/dbraw/zinc/55/31/72/555553172.db2.gz MHLHVIFNZWVYNQ-UHFFFAOYSA-N 0 0 434.521 4.805 40 5 IJBBRN COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(NS(C)(=O)=O)c3)c2n1 ZINC000005987758 556071477 /nfs/dbraw/zinc/07/14/77/556071477.db2.gz ADHCGMCPJLWBMU-UHFFFAOYSA-N 0 0 428.901 4.560 40 5 IJBBRN N=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000016450579 556609500 /nfs/dbraw/zinc/60/95/00/556609500.db2.gz VNLGEVOHCBHZHU-OSCZZGPHSA-N 0 0 435.417 4.639 40 5 IJBBRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408678556 556614529 /nfs/dbraw/zinc/61/45/29/556614529.db2.gz SQFPAUKKDAHNDP-UHFFFAOYSA-N 0 0 429.432 4.653 40 5 IJBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000408917951 556623505 /nfs/dbraw/zinc/62/35/05/556623505.db2.gz DCNOCYLOZJPPCV-NFJKTXFASA-N 0 0 444.874 4.650 40 5 IJBBRN O=C1N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1F ZINC000409106916 556630204 /nfs/dbraw/zinc/63/02/04/556630204.db2.gz NMCWTLAVOLNNFZ-YVLHZVERSA-N 0 0 441.802 4.740 40 5 IJBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000409184278 556634085 /nfs/dbraw/zinc/63/40/85/556634085.db2.gz VUSGLNPYSQEPER-MFOYZWKCSA-N 0 0 445.884 4.540 40 5 IJBBRN CCCN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409250890 556635399 /nfs/dbraw/zinc/63/53/99/556635399.db2.gz OQWCOSASFIQFCM-KGENOOAVSA-N 0 0 431.448 4.630 40 5 IJBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000409228167 556635599 /nfs/dbraw/zinc/63/55/99/556635599.db2.gz VBUYRBPDFKRTHF-CAOOACKPSA-N 0 0 434.857 4.502 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000040398812 556640657 /nfs/dbraw/zinc/64/06/57/556640657.db2.gz HIHMHMFKFHGGBU-MZNJEOGPSA-N 0 0 429.520 4.520 40 5 IJBBRN COc1c(Br)cc(Br)cc1-c1nc2cc([N+](=O)[O-])ccc2o1 ZINC000226237654 556683834 /nfs/dbraw/zinc/68/38/34/556683834.db2.gz VPBXYXCKXZENKH-UHFFFAOYSA-N 0 0 428.036 4.937 40 5 IJBBRN CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O ZINC000408818319 556864536 /nfs/dbraw/zinc/86/45/36/556864536.db2.gz XMFVMMCZWGTVOR-SXGWCWSVSA-N 0 0 449.282 4.602 40 5 IJBBRN S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCN(c2ccccc2)CC1 ZINC000408975692 556905935 /nfs/dbraw/zinc/90/59/35/556905935.db2.gz LPCQMUMXKHFROP-UHFFFAOYSA-N 0 0 438.560 4.783 40 5 IJBBRN Cc1ccc2cccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])c2n1 ZINC000409182267 556989786 /nfs/dbraw/zinc/98/97/86/556989786.db2.gz KCNXNKHAQNWYGU-UHFFFAOYSA-N 0 0 448.456 4.503 40 5 IJBBRN COc1cc(-c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409272410 557043278 /nfs/dbraw/zinc/04/32/78/557043278.db2.gz QCHLXOBDANOLGD-UHFFFAOYSA-N 0 0 442.474 4.648 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 ZINC000409364126 557083332 /nfs/dbraw/zinc/08/33/32/557083332.db2.gz VIAHSEHEWFXHLR-PXNMLYILSA-N 0 0 437.260 4.821 40 5 IJBBRN CCOC(=O)C1=C(NC(=O)c2cccc3nc4ccccc4nc32)S[C@H]2CCCC[C@H]12 ZINC000085344903 557101240 /nfs/dbraw/zinc/10/12/40/557101240.db2.gz JGGOUPGQNMDPGI-LIRRHRJNSA-N 0 0 433.533 4.593 40 5 IJBBRN CN(c1ccccc1)c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000014920049 557121014 /nfs/dbraw/zinc/12/10/14/557121014.db2.gz XIPLVJRZQYZIAW-NHDPSOOVSA-N 0 0 444.403 4.615 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000014269478 557332042 /nfs/dbraw/zinc/33/20/42/557332042.db2.gz FCBFLFWJJUICCZ-UHFFFAOYSA-N 0 0 441.896 4.954 40 5 IJBBRN COc1ccc2ccccc2c1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409356838 557399089 /nfs/dbraw/zinc/39/90/89/557399089.db2.gz GWSWUCZWEZNJRP-CIAFOILYSA-N 0 0 448.456 4.676 40 5 IJBBRN COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC ZINC000408565290 557416991 /nfs/dbraw/zinc/41/69/91/557416991.db2.gz BPXKZDZDOZSFJV-IBGZPJMESA-N 0 0 448.932 4.665 40 5 IJBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC000408567102 557418605 /nfs/dbraw/zinc/41/86/05/557418605.db2.gz GLOZPSODHCGESE-LJQANCHMSA-N 0 0 448.932 4.747 40 5 IJBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1[N+](=O)[O-] ZINC000408582368 557420443 /nfs/dbraw/zinc/42/04/43/557420443.db2.gz NELZFGOKQGRFCN-UHFFFAOYSA-N 0 0 438.296 4.726 40 5 IJBBRN Cc1c(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cccc1[N+](=O)[O-] ZINC000014270648 557429863 /nfs/dbraw/zinc/42/98/63/557429863.db2.gz YGMYPAVQTNKSLR-UHFFFAOYSA-N 0 0 446.488 4.516 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409780 557444087 /nfs/dbraw/zinc/44/40/87/557444087.db2.gz UYYKKYVWYPFPFW-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 ZINC000225872909 557787722 /nfs/dbraw/zinc/78/77/22/557787722.db2.gz QGLJLKIXZKVAIZ-UHFFFAOYSA-N 0 0 435.480 4.617 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222634355 568655848 /nfs/dbraw/zinc/65/58/48/568655848.db2.gz RPFGMBYKVVQZPW-DYXDTQHNSA-N 0 0 436.493 4.848 40 5 IJBBRN CC(=O)n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006014849 568740088 /nfs/dbraw/zinc/74/00/88/568740088.db2.gz SCIFQRGVXNZUTI-UHFFFAOYSA-N 0 0 430.873 4.503 40 5 IJBBRN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474795 568919844 /nfs/dbraw/zinc/91/98/44/568919844.db2.gz JOAZJBSQDPELNE-UHFFFAOYSA-N 0 0 437.525 4.954 40 5 IJBBRN O=C(CN(c1ccc(Br)cc1)C1=NCCCS1)c1cccc([N+](=O)[O-])c1 ZINC000016769232 569161645 /nfs/dbraw/zinc/16/16/45/569161645.db2.gz YDWHXUVMMXSOSO-UHFFFAOYSA-N 0 0 434.315 4.540 40 5 IJBBRN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017097063 569172717 /nfs/dbraw/zinc/17/27/17/569172717.db2.gz YUXUTUNKPPSKPC-UHFFFAOYSA-N 0 0 430.555 4.624 40 5 IJBBRN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017103101 569173811 /nfs/dbraw/zinc/17/38/11/569173811.db2.gz DTEXGZWEMBWTLN-UHFFFAOYSA-N 0 0 439.324 4.629 40 5 IJBBRN CCOC(=O)[C@@H](C(C)=O)[C@H](c1c2ccccc2cc2ccccc21)[C@@H](C(C)=O)C(=O)OCC ZINC000248341455 569207698 /nfs/dbraw/zinc/20/76/98/569207698.db2.gz ZAWXSOPDZSJZFM-YXFZHOHLSA-N 0 0 448.515 4.613 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 ZINC000225024563 569213733 /nfs/dbraw/zinc/21/37/33/569213733.db2.gz SKWUUEJJIFXNCQ-FCHUYYIVSA-N 0 0 433.537 4.696 40 5 IJBBRN CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225083999 569215561 /nfs/dbraw/zinc/21/55/61/569215561.db2.gz HHKWBDQUVJOBJL-UHFFFAOYSA-N 0 0 426.494 4.697 40 5 IJBBRN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1NS(=O)(=O)c1ccccc1 ZINC000010328974 569223283 /nfs/dbraw/zinc/22/32/83/569223283.db2.gz IYGFJRSSHQULKX-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=C(c1cccc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000033765195 569246608 /nfs/dbraw/zinc/24/66/08/569246608.db2.gz DQMJQIMYIKHKIM-UHFFFAOYSA-N 0 0 444.535 4.701 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033785455 569246836 /nfs/dbraw/zinc/24/68/36/569246836.db2.gz VGADHGMVAFXXSA-UHFFFAOYSA-N 0 0 446.828 4.543 40 5 IJBBRN COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107847765 569251515 /nfs/dbraw/zinc/25/15/15/569251515.db2.gz BYONWJJRTQVWBT-UHFFFAOYSA-N 0 0 431.857 4.644 40 5 IJBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nn12 ZINC000108059100 569252134 /nfs/dbraw/zinc/25/21/34/569252134.db2.gz WTUPLVCVBGTXDV-UHFFFAOYSA-N 0 0 442.888 4.538 40 5 IJBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C ZINC000009064615 569293292 /nfs/dbraw/zinc/29/32/92/569293292.db2.gz MGGBYUCLLPAUBJ-UHFFFAOYSA-N 0 0 440.437 4.507 40 5 IJBBRN O=C1NC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000009310775 569295304 /nfs/dbraw/zinc/29/53/04/569295304.db2.gz MXRXMNYBCANVDF-MTJSOVHGSA-N 0 0 449.850 4.925 40 5 IJBBRN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000009323464 569295467 /nfs/dbraw/zinc/29/54/67/569295467.db2.gz CFFFRPRUGHIGAZ-VBEHJTROSA-N 0 0 429.860 4.518 40 5 IJBBRN O=C(Nc1ccc(-c2nc3ncccc3o2)c(O)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372878 569299912 /nfs/dbraw/zinc/29/99/12/569299912.db2.gz IEVJNGAFAIPSBG-UHFFFAOYSA-N 0 0 444.447 4.954 40 5 IJBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000019630632 569324056 /nfs/dbraw/zinc/32/40/56/569324056.db2.gz MGSASESLRPPMSM-UHFFFAOYSA-N 0 0 439.855 4.667 40 5 IJBBRN Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000019928043 569332003 /nfs/dbraw/zinc/33/20/03/569332003.db2.gz RLYWCIXKIHUDDS-UHFFFAOYSA-N 0 0 442.497 4.521 40 5 IJBBRN Cc1cccc(-c2nc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)n[nH]2)c1 ZINC000019927540 569332029 /nfs/dbraw/zinc/33/20/29/569332029.db2.gz CFFPYQAOKAOHNV-UHFFFAOYSA-N 0 0 438.296 4.726 40 5 IJBBRN Cc1nccn1-c1ccccc1CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020106396 569334001 /nfs/dbraw/zinc/33/40/01/569334001.db2.gz GLAHESLEJIWZSG-JJIBRWJFSA-N 0 0 438.487 4.946 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000216402287 569429717 /nfs/dbraw/zinc/42/97/17/569429717.db2.gz GJGRNRNVGPQLFB-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1ccc(-c2onc(C(=O)c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000003848868 569456662 /nfs/dbraw/zinc/45/66/62/569456662.db2.gz LXVBVGRMJIAQCP-UHFFFAOYSA-N 0 0 448.456 4.622 40 5 IJBBRN COCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O ZINC000032124819 569460286 /nfs/dbraw/zinc/46/02/86/569460286.db2.gz WWVBWTODTPMKMR-PDGQHHTCSA-N 0 0 430.507 4.737 40 5 IJBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc3ccccc31)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503349 569461683 /nfs/dbraw/zinc/46/16/83/569461683.db2.gz SCQUEJIIISJNOO-GMMLXXJASA-N 0 0 446.462 4.625 40 5 IJBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1C(=O)c1ccccc1 ZINC000039744395 569481901 /nfs/dbraw/zinc/48/19/01/569481901.db2.gz RUDCJSWUPSKMHH-UHFFFAOYSA-N 0 0 430.445 4.597 40 5 IJBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006245185 193894117 /nfs/dbraw/zinc/89/41/17/193894117.db2.gz OUCFQRVTPMLCMJ-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN CC(C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)(c1ccccc1)c1ccccc1 ZINC000016576775 518500773 /nfs/dbraw/zinc/50/07/73/518500773.db2.gz BDWVKIDLHLAZTR-UHFFFAOYSA-N 0 0 449.938 4.903 40 5 IJBBRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000021005547 520543493 /nfs/dbraw/zinc/54/34/93/520543493.db2.gz ARIAXHBCZMRCHI-HSZRJFAPSA-N 0 0 440.459 4.934 40 5 IJBBRN Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cccc1[N+](=O)[O-] ZINC000020483638 525861423 /nfs/dbraw/zinc/86/14/23/525861423.db2.gz SGQANNJPABHGES-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000408672146 556060304 /nfs/dbraw/zinc/06/03/04/556060304.db2.gz LXXXLEQYGPUFRC-UHFFFAOYSA-N 0 0 435.823 4.610 40 5 IJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1 ZINC000214700008 556293861 /nfs/dbraw/zinc/29/38/61/556293861.db2.gz OWXKTTZYLJQOIY-XDHOZWIPSA-N 0 0 449.444 4.530 40 5 IJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2F)cc1 ZINC000408686256 556617228 /nfs/dbraw/zinc/61/72/28/556617228.db2.gz RFDWDMKEAWDJLR-QFIPXVFZSA-N 0 0 427.453 4.830 40 5 IJBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408714051 556617717 /nfs/dbraw/zinc/61/77/17/556617717.db2.gz HKVSUXQXSABLAY-UHFFFAOYSA-N 0 0 428.876 4.868 40 5 IJBBRN CN1C(=O)S/C(=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)C1=O ZINC000408821014 556621115 /nfs/dbraw/zinc/62/11/15/556621115.db2.gz BKGWUYKXVVJWLO-SDQBBNPISA-N 0 0 443.662 4.937 40 5 IJBBRN Cc1ccccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409182438 556633928 /nfs/dbraw/zinc/63/39/28/556633928.db2.gz KVSXSYNIZIKROZ-VWLOTQADSA-N 0 0 446.459 4.789 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000040398810 556640574 /nfs/dbraw/zinc/64/05/74/556640574.db2.gz HIHMHMFKFHGGBU-OSPHWJPCSA-N 0 0 429.520 4.520 40 5 IJBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000248147016 556669243 /nfs/dbraw/zinc/66/92/43/556669243.db2.gz IAXCIVOBNCJCQT-UHFFFAOYSA-N 0 0 432.432 4.504 40 5 IJBBRN O=C(Nc1ccc2ccccc2c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000002271150 556799769 /nfs/dbraw/zinc/79/97/69/556799769.db2.gz PGEKHQDXFYSANL-STZFKDTASA-N 0 0 427.416 4.751 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000040398817 556820658 /nfs/dbraw/zinc/82/06/58/556820658.db2.gz CPLDEDJNSSLCJH-YYULODDRSA-N 0 0 443.547 4.766 40 5 IJBBRN CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1cc(OC)ccc1OC ZINC000408831253 556866677 /nfs/dbraw/zinc/86/66/77/556866677.db2.gz QLCHEVAKSJIQRH-UHFFFAOYSA-N 0 0 427.482 4.940 40 5 IJBBRN CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(OC)c(OC)c1 ZINC000408829497 556866680 /nfs/dbraw/zinc/86/66/80/556866680.db2.gz OKWNSMANGLNGCL-UHFFFAOYSA-N 0 0 427.482 4.940 40 5 IJBBRN Cc1c(Cl)cccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409177861 556986681 /nfs/dbraw/zinc/98/66/81/556986681.db2.gz IEIWSNKAEKGNFM-UHFFFAOYSA-N 0 0 430.869 4.642 40 5 IJBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409179773 556987803 /nfs/dbraw/zinc/98/78/03/556987803.db2.gz TUSMSDSRVCOOBI-UHFFFAOYSA-N 0 0 439.336 4.561 40 5 IJBBRN O=C(Oc1cccc2ccccc21)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409181630 556989661 /nfs/dbraw/zinc/98/96/61/556989661.db2.gz FAWNPRVFIXMKFS-UHFFFAOYSA-N 0 0 433.441 4.800 40 5 IJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000409241901 557032039 /nfs/dbraw/zinc/03/20/39/557032039.db2.gz PDYQSZXWTCWNDW-FYJGNVAPSA-N 0 0 443.459 4.575 40 5 IJBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccn1 ZINC000098035362 557032369 /nfs/dbraw/zinc/03/23/69/557032369.db2.gz PSSORSDYHQLZEG-SREVYHEPSA-N 0 0 446.257 4.807 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409257886 557035340 /nfs/dbraw/zinc/03/53/40/557035340.db2.gz UBNVFJSCVMOVLU-XMMPIXPASA-N 0 0 447.516 4.930 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409257585 557035368 /nfs/dbraw/zinc/03/53/68/557035368.db2.gz UBNVFJSCVMOVLU-DEOSSOPVSA-N 0 0 447.516 4.930 40 5 IJBBRN CCOc1ccc(Cl)cc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409355650 557081688 /nfs/dbraw/zinc/08/16/88/557081688.db2.gz CZFWOKNROSPTLC-VCHYOVAHSA-N 0 0 446.868 4.566 40 5 IJBBRN Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] ZINC000013969833 557152426 /nfs/dbraw/zinc/15/24/26/557152426.db2.gz ILQRGDKXDYHFJK-UHFFFAOYSA-N 0 0 434.408 4.624 40 5 IJBBRN COc1ccc(NC(=O)CSc2nc(C)cc(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 ZINC000014152805 557309821 /nfs/dbraw/zinc/30/98/21/557309821.db2.gz BRSRYZOBUIZHTI-UHFFFAOYSA-N 0 0 444.900 4.753 40 5 IJBBRN COc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1Br ZINC000014605062 557344615 /nfs/dbraw/zinc/34/46/15/557344615.db2.gz GJHITGMGFHWGTQ-UHFFFAOYSA-N 0 0 434.271 4.742 40 5 IJBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC ZINC000408565585 557419234 /nfs/dbraw/zinc/41/92/34/557419234.db2.gz CLAGJUOEQYOVIR-HXUWFJFHSA-N 0 0 446.504 4.622 40 5 IJBBRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408595291 557421975 /nfs/dbraw/zinc/42/19/75/557421975.db2.gz LXQKISFMGIXRQR-UHFFFAOYSA-N 0 0 448.504 4.913 40 5 IJBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408638170 557423912 /nfs/dbraw/zinc/42/39/12/557423912.db2.gz BNQRLJVVPVNHGV-QGZVFWFLSA-N 0 0 431.448 4.687 40 5 IJBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000016312466 568876746 /nfs/dbraw/zinc/87/67/46/568876746.db2.gz JBUICIZQHYFPGG-YFHOEESVSA-N 0 0 437.452 4.705 40 5 IJBBRN O=C(O[C@H]1CCCCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001709213 568879865 /nfs/dbraw/zinc/87/98/65/568879865.db2.gz FSXPLCYBQWUSEB-PMACEKPBSA-N 0 0 442.424 4.608 40 5 IJBBRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)c1 ZINC000223951248 568879924 /nfs/dbraw/zinc/87/99/24/568879924.db2.gz QEBPQFNZYSYCNV-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=C(O[C@@H]1CCCCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000016918875 569166349 /nfs/dbraw/zinc/16/63/49/569166349.db2.gz FSXPLCYBQWUSEB-BGYRXZFFSA-N 0 0 442.424 4.608 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017103102 569173729 /nfs/dbraw/zinc/17/37/29/569173729.db2.gz UPAAOMOZSSRVDP-UHFFFAOYSA-N 0 0 439.324 4.629 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O ZINC000214966527 569209388 /nfs/dbraw/zinc/20/93/88/569209388.db2.gz CSDIYWQNIWAOIO-CXUHLZMHSA-N 0 0 449.282 4.602 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2C)cc1 ZINC000010314266 569222502 /nfs/dbraw/zinc/22/25/02/569222502.db2.gz SOXAUBFOXQANDZ-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000033698579 569245849 /nfs/dbraw/zinc/24/58/49/569245849.db2.gz MIJMIPPHMREABD-LQDNNDEMSA-N 0 0 444.874 4.819 40 5 IJBBRN CCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 ZINC000034807434 569247657 /nfs/dbraw/zinc/24/76/57/569247657.db2.gz PHFBIHQJZCMOOR-UHFFFAOYSA-N 0 0 435.432 4.612 40 5 IJBBRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000034931164 569248153 /nfs/dbraw/zinc/24/81/53/569248153.db2.gz TTWPJIUMUIZCEC-UHFFFAOYSA-N 0 0 434.905 4.504 40 5 IJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)nc21 ZINC000010010557 569299045 /nfs/dbraw/zinc/29/90/45/569299045.db2.gz JEPVFGPNBKUGEJ-UHFFFAOYSA-N 0 0 428.253 4.781 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000019928284 569331983 /nfs/dbraw/zinc/33/19/83/569331983.db2.gz JGSALEFDDMWDQL-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000019929099 569332143 /nfs/dbraw/zinc/33/21/43/569332143.db2.gz IVTIHLJQXCIMFL-UHFFFAOYSA-N 0 0 448.888 4.558 40 5 IJBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020140534 569335916 /nfs/dbraw/zinc/33/59/16/569335916.db2.gz AFIJTIACKRATQX-UHFFFAOYSA-N 0 0 434.404 4.868 40 5 IJBBRN COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020145115 569335960 /nfs/dbraw/zinc/33/59/60/569335960.db2.gz JFUWRXQMHCCZNC-YCRREMRBSA-N 0 0 428.828 4.661 40 5 IJBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cccc3c(Br)cccc23)cc1[N+](=O)[O-] ZINC000020528909 569371554 /nfs/dbraw/zinc/37/15/54/569371554.db2.gz XKEHCLCHZHRIGS-UHFFFAOYSA-N 0 0 446.213 4.680 40 5 IJBBRN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020765384 569374979 /nfs/dbraw/zinc/37/49/79/569374979.db2.gz ZSFPKWRBUKNVHI-UHFFFAOYSA-N 0 0 441.694 4.618 40 5 IJBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225588993 569404875 /nfs/dbraw/zinc/40/48/75/569404875.db2.gz CXSBHRRNSZVOHU-OXQOHEQNSA-N 0 0 445.947 4.513 40 5 IJBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225616939 569405782 /nfs/dbraw/zinc/40/57/82/569405782.db2.gz KWZIYTVFGMPJIE-UZLBHIALSA-N 0 0 445.947 4.513 40 5 IJBBRN CCN(CC)C(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccc(C)cc1 ZINC000003114908 569440402 /nfs/dbraw/zinc/44/04/02/569440402.db2.gz SASYIUHYFKQOAI-JWGURIENSA-N 0 0 447.491 4.803 40 5 IJBBRN O=C(O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000031715984 569457071 /nfs/dbraw/zinc/45/70/71/569457071.db2.gz XNGAEWBIGCGDAO-BJKOFHAPSA-N 0 0 432.476 4.566 40 5 IJBBRN Cc1c(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cccc1[N+](=O)[O-] ZINC000038860192 569469331 /nfs/dbraw/zinc/46/93/31/569469331.db2.gz DNHJPITXQHJHPS-UHFFFAOYSA-N 0 0 432.318 4.516 40 5 IJBBRN Cc1cc2nc3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n3c2cc1C ZINC000033335912 525679682 /nfs/dbraw/zinc/67/96/82/525679682.db2.gz YMLXTSMDZLGUSZ-SSDVNMTOSA-N 0 0 445.500 4.859 40 5 IJBBRN Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1 ZINC000020632455 525792360 /nfs/dbraw/zinc/79/23/60/525792360.db2.gz WCSYTUOERBIVIB-KRWDZBQOSA-N 0 0 445.504 4.546 40 5 IJBBRN CSc1nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2c(N2CCCCC2)n1 ZINC000408618221 555981809 /nfs/dbraw/zinc/98/18/09/555981809.db2.gz FBNSWPIIZXVMNN-UHFFFAOYSA-N 0 0 443.554 4.872 40 5 IJBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1[N+](=O)[O-] ZINC000408678775 556071887 /nfs/dbraw/zinc/07/18/87/556071887.db2.gz DAJXHKMVUOPWJO-OAHLLOKOSA-N 0 0 429.432 4.794 40 5 IJBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc([N+](=O)[O-])cc1)N2 ZINC000409350534 556637815 /nfs/dbraw/zinc/63/78/15/556637815.db2.gz RZQJWEYECKFFNH-ZXYWRSMDSA-N 0 0 427.423 4.510 40 5 IJBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1[N+](=O)[O-] ZINC000408918217 556891270 /nfs/dbraw/zinc/89/12/70/556891270.db2.gz HSCDYRXYILKYCV-LQDNNDEMSA-N 0 0 444.874 4.650 40 5 IJBBRN COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408955986 556899125 /nfs/dbraw/zinc/89/91/25/556899125.db2.gz ZIYQTLUBPBCGLI-MOSHPQCFSA-N 0 0 435.461 4.631 40 5 IJBBRN CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 ZINC000019927291 556945414 /nfs/dbraw/zinc/94/54/14/556945414.db2.gz HEDRZLSDSSQLOD-UHFFFAOYSA-N 0 0 447.314 4.611 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409134546 556968712 /nfs/dbraw/zinc/96/87/12/556968712.db2.gz SBCOTKTZJJEADL-UHFFFAOYSA-N 0 0 425.514 4.727 40 5 IJBBRN COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000409178586 556987051 /nfs/dbraw/zinc/98/70/51/556987051.db2.gz LNKQFBRXIVABPD-UHFFFAOYSA-N 0 0 435.432 4.531 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)c1ccccc1 ZINC000409223580 557017604 /nfs/dbraw/zinc/01/76/04/557017604.db2.gz GHNIAUVHPJGSOM-APSNUPSMSA-N 0 0 437.260 4.821 40 5 IJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409232267 557023934 /nfs/dbraw/zinc/02/39/34/557023934.db2.gz PRDHLNVVOYEOGY-WOJGMQOQSA-N 0 0 437.839 4.910 40 5 IJBBRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000014405267 557337166 /nfs/dbraw/zinc/33/71/66/557337166.db2.gz BCXJUENHUKZKEO-UHFFFAOYSA-N 0 0 435.484 4.713 40 5 IJBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000106703391 557531739 /nfs/dbraw/zinc/53/17/39/557531739.db2.gz MVDJKYZHLDYWSY-SXGWCWSVSA-N 0 0 433.283 4.902 40 5 IJBBRN O=C1[C@H]2[C@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000033920956 557810221 /nfs/dbraw/zinc/81/02/21/557810221.db2.gz OLOATPURPNDQGG-MOUTVQLLSA-N 0 0 439.471 4.660 40 5 IJBBRN CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222538488 568651665 /nfs/dbraw/zinc/65/16/65/568651665.db2.gz KGVNEXLSNKDKEI-IBGZPJMESA-N 0 0 447.557 4.518 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222851785 568735726 /nfs/dbraw/zinc/73/57/26/568735726.db2.gz SYBHXKUOADQRRI-SFTDATJTSA-N 0 0 438.509 4.639 40 5 IJBBRN O=C(Nc1ccc(I)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035084991 568820050 /nfs/dbraw/zinc/82/00/50/568820050.db2.gz VAUBNZKIVHUAAB-UHFFFAOYSA-N 0 0 434.189 4.712 40 5 IJBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1c3ccccc3C2c2ccccc21 ZINC000035146754 568823590 /nfs/dbraw/zinc/82/35/90/568823590.db2.gz QOHHSJVTVWBKPO-JQBYJRRVSA-N 0 0 430.847 4.645 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 ZINC000223957836 568879883 /nfs/dbraw/zinc/87/98/83/568879883.db2.gz PVYJIJPCMMKXQC-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 ZINC000006280284 568881533 /nfs/dbraw/zinc/88/15/33/568881533.db2.gz VRQBSASMWQKZPN-OAHLLOKOSA-N 0 0 449.492 4.863 40 5 IJBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2OC)cc1 ZINC000006510976 568928434 /nfs/dbraw/zinc/92/84/34/568928434.db2.gz DIURIYZWQHBUPT-UHFFFAOYSA-N 0 0 429.476 4.981 40 5 IJBBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000224527543 568937220 /nfs/dbraw/zinc/93/72/20/568937220.db2.gz YOQJFDDOWWCPDL-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CCCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000017096974 569172834 /nfs/dbraw/zinc/17/28/34/569172834.db2.gz KBOLCHJCWMZTJI-UHFFFAOYSA-N 0 0 430.511 4.510 40 5 IJBBRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000017098863 569173435 /nfs/dbraw/zinc/17/34/35/569173435.db2.gz MTIBLNZQFUTSFK-UHFFFAOYSA-N 0 0 434.502 4.998 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 ZINC000224890275 569190437 /nfs/dbraw/zinc/19/04/37/569190437.db2.gz ISBFXGIINWBZHM-UHFFFAOYSA-N 0 0 430.258 4.892 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 ZINC000225024602 569213725 /nfs/dbraw/zinc/21/37/25/569213725.db2.gz SKWUUEJJIFXNCQ-VXKWHMMOSA-N 0 0 433.537 4.696 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 ZINC000225024529 569213743 /nfs/dbraw/zinc/21/37/43/569213743.db2.gz SKWUUEJJIFXNCQ-YADHBBJMSA-N 0 0 433.537 4.696 40 5 IJBBRN O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000033580598 569244668 /nfs/dbraw/zinc/24/46/68/569244668.db2.gz VVIAAIPTVUTIEA-UHFFFAOYSA-N 0 0 447.560 4.667 40 5 IJBBRN Cc1c(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cccc1[N+](=O)[O-] ZINC000033625646 569245130 /nfs/dbraw/zinc/24/51/30/569245130.db2.gz GXLPXAUWWPUXFJ-UHFFFAOYSA-N 0 0 435.823 4.610 40 5 IJBBRN O=C(Oc1ccc(Br)cc1/C=C/[N+](=O)[O-])c1ccc(Br)cc1 ZINC000108246913 569252735 /nfs/dbraw/zinc/25/27/35/569252735.db2.gz DCFLYYCKLVWVKC-BQYQJAHWSA-N 0 0 427.048 4.678 40 5 IJBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C\c1csc(-c2cccnc2)n1 ZINC000225261648 569282469 /nfs/dbraw/zinc/28/24/69/569282469.db2.gz ZXQNYUDHEQFXFU-RQZCQDPDSA-N 0 0 444.925 4.954 40 5 IJBBRN CN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000008832652 569291029 /nfs/dbraw/zinc/29/10/29/569291029.db2.gz VQIRZYSBUUXQLB-UHFFFAOYSA-N 0 0 440.887 4.512 40 5 IJBBRN CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008903232 569292200 /nfs/dbraw/zinc/29/22/00/569292200.db2.gz SNTZXLLPPDOJCY-JXMROGBWSA-N 0 0 425.466 4.813 40 5 IJBBRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])o1 ZINC000019929131 569332026 /nfs/dbraw/zinc/33/20/26/569332026.db2.gz YPSUEXBBQYZXKI-UHFFFAOYSA-N 0 0 448.888 4.654 40 5 IJBBRN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl ZINC000019928278 569332054 /nfs/dbraw/zinc/33/20/54/569332054.db2.gz RTSALPFSGODVFU-UHFFFAOYSA-N 0 0 445.932 4.874 40 5 IJBBRN COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCC(C)C ZINC000225676987 569392765 /nfs/dbraw/zinc/39/27/65/569392765.db2.gz GENNVCVHOUBOFE-UHFFFAOYSA-N 0 0 440.496 4.867 40 5 IJBBRN CCOCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225866093 569409460 /nfs/dbraw/zinc/40/94/60/569409460.db2.gz RIJVJLZRCAAUGB-UHFFFAOYSA-N 0 0 427.501 4.554 40 5 IJBBRN O=C1[C@@H]2[C@H](C(=O)N1c1cccc3ccccc31)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503352 569461707 /nfs/dbraw/zinc/46/17/07/569461707.db2.gz SCQUEJIIISJNOO-QDBPJBAASA-N 0 0 446.462 4.625 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 ZINC000038756380 569468826 /nfs/dbraw/zinc/46/88/26/569468826.db2.gz QGCOTKPNPGILEL-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN COc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1 ZINC000408606146 193974862 /nfs/dbraw/zinc/97/48/62/193974862.db2.gz OUZXPPXMNJVIRZ-WEVVVXLNSA-N 0 0 443.843 4.741 40 5 IJBBRN COc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3)nc12 ZINC000012485003 524200576 /nfs/dbraw/zinc/20/05/76/524200576.db2.gz COVAEBRUTQHICL-UHFFFAOYSA-N 0 0 446.488 4.944 40 5 IJBBRN Cc1cc(C)cc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1 ZINC000022760350 524435095 /nfs/dbraw/zinc/43/50/95/524435095.db2.gz AWPNFEPUGNWJAD-UHFFFAOYSA-N 0 0 428.448 4.530 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409168697 556631909 /nfs/dbraw/zinc/63/19/09/556631909.db2.gz ROSHHWXKAKPSBX-GZTJUZNOSA-N 0 0 439.811 4.614 40 5 IJBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1CCc1ccccc1 ZINC000409212629 556634580 /nfs/dbraw/zinc/63/45/80/556634580.db2.gz RPUXYLZNHOYUQJ-RCCKNPSSSA-N 0 0 433.489 4.724 40 5 IJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409244573 556635781 /nfs/dbraw/zinc/63/57/81/556635781.db2.gz FRZOVMVVPCJHHZ-FYJGNVAPSA-N 0 0 443.459 4.575 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2c(Cl)cccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409341113 556637670 /nfs/dbraw/zinc/63/76/70/556637670.db2.gz CQCRHOBVDMZBPU-LZYBPNLTSA-N 0 0 437.260 4.821 40 5 IJBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409353485 556638116 /nfs/dbraw/zinc/63/81/16/556638116.db2.gz LVFMOQWBBOAZHH-MFOYZWKCSA-N 0 0 445.884 4.540 40 5 IJBBRN C[C@@H]1CCC[C@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@@H]1C ZINC000040398836 556640829 /nfs/dbraw/zinc/64/08/29/556640829.db2.gz UBIAEIPBMUHLGE-RRQZXNHTSA-N 0 0 427.548 4.951 40 5 IJBBRN S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)N1CC[C@@H](c2ccccc2)C1 ZINC000408987706 556910272 /nfs/dbraw/zinc/91/02/72/556910272.db2.gz BQKYFBVULBWZJK-QGZVFWFLSA-N 0 0 442.544 4.741 40 5 IJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409226279 557014452 /nfs/dbraw/zinc/01/44/52/557014452.db2.gz MRADBPNYSXAASN-WOJGMQOQSA-N 0 0 437.839 4.910 40 5 IJBBRN O=C1NC(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409236309 557018189 /nfs/dbraw/zinc/01/81/89/557018189.db2.gz DMSVIESUTLVYLD-FYJGNVAPSA-N 0 0 449.850 4.925 40 5 IJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000409232414 557024419 /nfs/dbraw/zinc/02/44/19/557024419.db2.gz HHVKNTUABWVTBJ-YBFXNURJSA-N 0 0 437.839 4.910 40 5 IJBBRN CCOC(=O)C1=C(NC(=O)c2cccc3nc4ccccc4nc32)S[C@@H]2CCCC[C@H]12 ZINC000085344905 557101308 /nfs/dbraw/zinc/10/13/08/557101308.db2.gz JGGOUPGQNMDPGI-IFXJQAMLSA-N 0 0 433.533 4.593 40 5 IJBBRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c1 ZINC000409412743 557109103 /nfs/dbraw/zinc/10/91/03/557109103.db2.gz ZZCKYOKKPUFOAF-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3[C@@H](c4ccccn4)N=C4SCCN43)cc2)cc1 ZINC000209940905 557338745 /nfs/dbraw/zinc/33/87/45/557338745.db2.gz VLTYGZMLUQSMAK-YADHBBJMSA-N 0 0 432.505 4.770 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000223066302 557424775 /nfs/dbraw/zinc/42/47/75/557424775.db2.gz CPLDEDJNSSLCJH-DPOKWSEZSA-N 0 0 443.547 4.766 40 5 IJBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718450 557440678 /nfs/dbraw/zinc/44/06/78/557440678.db2.gz ZVJTWYXYGJFHIS-SECBINFHSA-N 0 0 428.659 4.547 40 5 IJBBRN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409836 557444030 /nfs/dbraw/zinc/44/40/30/557444030.db2.gz TWQXFMQZCSDBIB-UHFFFAOYSA-N 0 0 433.493 4.757 40 5 IJBBRN Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cccc1[N+](=O)[O-] ZINC000014412666 557444856 /nfs/dbraw/zinc/44/48/56/557444856.db2.gz TWFWQZHLIIXHBQ-JOCHJYFZSA-N 0 0 437.477 4.523 40 5 IJBBRN C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000851203 557830385 /nfs/dbraw/zinc/83/03/85/557830385.db2.gz WTRIGMHYPAABSD-SNVBAGLBSA-N 0 0 449.286 4.527 40 5 IJBBRN CC1=C(C(=O)OC(C)(C)C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000031852336 563083627 /nfs/dbraw/zinc/08/36/27/563083627.db2.gz PDRVVFSIZJAOGA-UHFFFAOYSA-N 0 0 430.501 4.513 40 5 IJBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223797533 568877198 /nfs/dbraw/zinc/87/71/98/568877198.db2.gz HMBNRFQSUZNTAN-HXUWFJFHSA-N 0 0 445.947 4.514 40 5 IJBBRN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000016681518 568937637 /nfs/dbraw/zinc/93/76/37/568937637.db2.gz REBLOELGFCTPQW-XBXARRHUSA-N 0 0 449.338 4.695 40 5 IJBBRN Cc1cc(C)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000017095017 569172636 /nfs/dbraw/zinc/17/26/36/569172636.db2.gz VYYZWRVNIQGQLO-UHFFFAOYSA-N 0 0 426.542 4.637 40 5 IJBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000017097710 569173690 /nfs/dbraw/zinc/17/36/90/569173690.db2.gz WZOJAQAHWRVSPB-UHFFFAOYSA-N 0 0 431.857 4.644 40 5 IJBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000017097714 569173705 /nfs/dbraw/zinc/17/37/05/569173705.db2.gz QUHHXJNHWVLZJR-UHFFFAOYSA-N 0 0 431.857 4.644 40 5 IJBBRN CC(C)(C)c1cc(C(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 ZINC000006305164 569218546 /nfs/dbraw/zinc/21/85/46/569218546.db2.gz PKKHUFPMWJKOOI-UHFFFAOYSA-N 0 0 426.513 4.663 40 5 IJBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1[N+](=O)[O-] ZINC000033475360 569244284 /nfs/dbraw/zinc/24/42/84/569244284.db2.gz IYPAOVJISJTSGZ-LUAWRHEFSA-N 0 0 425.397 4.948 40 5 IJBBRN Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1[N+](=O)[O-] ZINC000033625639 569245137 /nfs/dbraw/zinc/24/51/37/569245137.db2.gz MEPWQOZYJDYGHE-UHFFFAOYSA-N 0 0 435.823 4.610 40 5 IJBBRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000033698581 569245834 /nfs/dbraw/zinc/24/58/34/569245834.db2.gz MIJMIPPHMREABD-NFJKTXFASA-N 0 0 444.874 4.819 40 5 IJBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nn12 ZINC000033738954 569246363 /nfs/dbraw/zinc/24/63/63/569246363.db2.gz HJXLYYZFJLHYFC-UHFFFAOYSA-N 0 0 442.888 4.538 40 5 IJBBRN Cc1c(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cccc1[N+](=O)[O-] ZINC000033740994 569246438 /nfs/dbraw/zinc/24/64/38/569246438.db2.gz WCCUWJVDZXGHCO-UHFFFAOYSA-N 0 0 432.933 4.674 40 5 IJBBRN O=C(NC(=S)Nc1c(O)ccc2ccccc21)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034793970 569247691 /nfs/dbraw/zinc/24/76/91/569247691.db2.gz UQMHIFWRUVDDTC-UHFFFAOYSA-N 0 0 433.445 4.840 40 5 IJBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000107752122 569251261 /nfs/dbraw/zinc/25/12/61/569251261.db2.gz LNGPXRGOGJPHNY-DAXSKMNVSA-N 0 0 442.340 4.679 40 5 IJBBRN COc1cccc(Nc2nc(Nc3ccc(Br)cc3)nc(C)c2[N+](=O)[O-])c1 ZINC000008781184 569290631 /nfs/dbraw/zinc/29/06/31/569290631.db2.gz AFCYFZAWPBIQHW-UHFFFAOYSA-N 0 0 430.262 4.952 40 5 IJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000008902761 569292197 /nfs/dbraw/zinc/29/21/97/569292197.db2.gz LXFDLWHXXJQQPY-RMKNXTFCSA-N 0 0 434.433 4.702 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000009199581 569294240 /nfs/dbraw/zinc/29/42/40/569294240.db2.gz VKTCGHVDGXXFRA-UHFFFAOYSA-N 0 0 425.514 4.717 40 5 IJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000019646585 569324871 /nfs/dbraw/zinc/32/48/71/569324871.db2.gz JYIFSUFZXPORGN-WUXMJOGZSA-N 0 0 447.834 4.701 40 5 IJBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000019640670 569324921 /nfs/dbraw/zinc/32/49/21/569324921.db2.gz UDBVXOGKNHAIDL-UHFFFAOYSA-N 0 0 444.495 4.736 40 5 IJBBRN COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1-c1ccc(CO)o1 ZINC000020140540 569335852 /nfs/dbraw/zinc/33/58/52/569335852.db2.gz AMFPVNYZBJPXKQ-UHFFFAOYSA-N 0 0 434.404 4.868 40 5 IJBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1 ZINC000020195582 569355672 /nfs/dbraw/zinc/35/56/72/569355672.db2.gz CQDGHGDJTVVXEN-UHFFFAOYSA-N 0 0 438.296 4.726 40 5 IJBBRN Cc1nc(SCc2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)n[nH]1 ZINC000020293636 569359241 /nfs/dbraw/zinc/35/92/41/569359241.db2.gz NRSABUPSRDIODN-UHFFFAOYSA-N 0 0 435.465 4.826 40 5 IJBBRN CC(=O)N(c1ccccc1)c1cc(N(C(C)=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003844561 569456609 /nfs/dbraw/zinc/45/66/09/569456609.db2.gz XZYGCQGNDIMRFV-UHFFFAOYSA-N 0 0 434.408 4.872 40 5 IJBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032127049 569460391 /nfs/dbraw/zinc/46/03/91/569460391.db2.gz MXCRFORLRIHXLK-WEVVVXLNSA-N 0 0 441.827 4.754 40 5 IJBBRN COc1cc(Cl)c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000008722239 569471668 /nfs/dbraw/zinc/47/16/68/569471668.db2.gz FIMAWGZPTBGNBL-CAOOACKPSA-N 0 0 434.857 4.502 40 5 IJBBRN O=C1N/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1C1CCCCC1 ZINC000039556220 569481694 /nfs/dbraw/zinc/48/16/94/569481694.db2.gz RIUAGLPZDKARAL-HMAPJEAMSA-N 0 0 444.491 4.823 40 5 IJBBRN CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009030616 569497098 /nfs/dbraw/zinc/49/70/98/569497098.db2.gz JZOJHGAFBJAQCP-UHFFFAOYSA-N 0 0 448.884 4.615 40 5 IJBBRN O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008831084 569583512 /nfs/dbraw/zinc/58/35/12/569583512.db2.gz POTHORLBBJVSHP-UHFFFAOYSA-N 0 0 442.453 4.730 40 5 IJBBRN COc1ccc(NC(=O)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccc4[N+](=O)[O-])c3C)C2)cc1 ZINC000008623923 291391778 /nfs/dbraw/zinc/39/17/78/291391778.db2.gz SXYVGHZBWSFFDO-IEBWSBKVSA-N 0 0 447.495 4.640 40 5 biogenic,in-vitro IJBBRN Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C/[N+](=O)[O-])cc1 ZINC000034869706 555517317 /nfs/dbraw/zinc/51/73/17/555517317.db2.gz LZXJJSWJZMSGFH-VOTSOKGWSA-N 0 0 441.075 4.987 40 5 IJBBRN COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 ZINC000408555886 555893003 /nfs/dbraw/zinc/89/30/03/555893003.db2.gz ZKAQUDARZBWJSI-UHFFFAOYSA-N 0 0 435.432 4.531 40 5 IJBBRN Nc1c(Br)cc2c3ccc(Br)cc3c(=O)[nH]c2c1Br ZINC000008654908 556196962 /nfs/dbraw/zinc/19/69/62/556196962.db2.gz KUBMZWHQBDWVTI-UHFFFAOYSA-N 0 0 446.924 4.551 40 5 IJBBRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409024064 556628401 /nfs/dbraw/zinc/62/84/01/556628401.db2.gz SZUBZNPFRHPNKP-YBFXNURJSA-N 0 0 428.466 4.627 40 5 IJBBRN O=C1NC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409244609 556636338 /nfs/dbraw/zinc/63/63/38/556636338.db2.gz GEJYFBFCFWJFRT-WOJGMQOQSA-N 0 0 436.811 4.533 40 5 IJBBRN O=[N+]([O-])c1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Sc1ccc(Cl)cc1 ZINC000409345304 556637880 /nfs/dbraw/zinc/63/78/80/556637880.db2.gz LDLUSDORLZCHPT-KRXBUXKQSA-N 0 0 446.828 4.679 40 5 IJBBRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408817620 556864288 /nfs/dbraw/zinc/86/42/88/556864288.db2.gz YCDMQPAWCURNJA-YVLHZVERSA-N 0 0 448.884 4.892 40 5 IJBBRN O=C(Oc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000408842241 556867736 /nfs/dbraw/zinc/86/77/36/556867736.db2.gz JLCAJHOWCJQJPZ-YLGLTRLVSA-N 0 0 440.411 4.824 40 5 IJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408906497 556884435 /nfs/dbraw/zinc/88/44/35/556884435.db2.gz BZXOKGUYWZNXGR-UHFFFAOYSA-N 0 0 447.472 4.801 40 5 IJBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)c([N+](=O)[O-])c1 ZINC000408917950 556891202 /nfs/dbraw/zinc/89/12/02/556891202.db2.gz DCNOCYLOZJPPCV-LQDNNDEMSA-N 0 0 444.874 4.650 40 5 IJBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 ZINC000409362808 557082895 /nfs/dbraw/zinc/08/28/95/557082895.db2.gz SEPPIGYOONDKCH-MFOYZWKCSA-N 0 0 445.884 4.540 40 5 IJBBRN COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc12 ZINC000409359043 557086003 /nfs/dbraw/zinc/08/60/03/557086003.db2.gz MOGRDMGZEYCROB-CIAFOILYSA-N 0 0 448.456 4.676 40 5 IJBBRN Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000000822227 557266386 /nfs/dbraw/zinc/26/63/86/557266386.db2.gz FRQJAZFOUWAXKS-HZHRSRAPSA-N 0 0 429.476 4.930 40 5 IJBBRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000014270503 557332613 /nfs/dbraw/zinc/33/26/13/557332613.db2.gz LYRTYVPQWCNPEA-UHFFFAOYSA-N 0 0 448.529 4.676 40 5 IJBBRN CCCNC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000014412705 557337230 /nfs/dbraw/zinc/33/72/30/557337230.db2.gz VXQKVHUUKQBHBS-OQKWZONESA-N 0 0 429.476 4.914 40 5 IJBBRN CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 ZINC000408552600 557416108 /nfs/dbraw/zinc/41/61/08/557416108.db2.gz KENVWXIULGCVOU-UHFFFAOYSA-N 0 0 449.459 4.921 40 5 IJBBRN CCCOc1c(I)cc(CNc2cccc([N+](=O)[O-])c2)cc1OC ZINC000408558979 557416807 /nfs/dbraw/zinc/41/68/07/557416807.db2.gz TXUCVODMMBRDNR-UHFFFAOYSA-N 0 0 442.253 4.609 40 5 IJBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC ZINC000408565583 557417134 /nfs/dbraw/zinc/41/71/34/557417134.db2.gz CLAGJUOEQYOVIR-FQEVSTJZSA-N 0 0 446.504 4.622 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(C)c1 ZINC000408564555 557418348 /nfs/dbraw/zinc/41/83/48/557418348.db2.gz WNLYYXMZQVFFGQ-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000408576671 557420045 /nfs/dbraw/zinc/42/00/45/557420045.db2.gz YOCKZBOJNDATGS-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000014153640 557424275 /nfs/dbraw/zinc/42/42/75/557424275.db2.gz OTQASPINPDOPFJ-JOCHJYFZSA-N 0 0 437.477 4.523 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000223066363 557424821 /nfs/dbraw/zinc/42/48/21/557424821.db2.gz CPLDEDJNSSLCJH-RPPIVITFSA-N 0 0 443.547 4.766 40 5 IJBBRN CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000000892305 557858908 /nfs/dbraw/zinc/85/89/08/557858908.db2.gz XCLRGKDGANPFSG-UHFFFAOYSA-N 0 0 449.463 4.897 40 5 IJBBRN CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000222538544 568651655 /nfs/dbraw/zinc/65/16/55/568651655.db2.gz KGVNEXLSNKDKEI-LJQANCHMSA-N 0 0 447.557 4.518 40 5 IJBBRN COc1cc2ccc3c(CCN(C)C(=O)C(C)C)cc(OC)c(OC)c3c2cc1OC ZINC000263585926 568759261 /nfs/dbraw/zinc/75/92/61/568759261.db2.gz NXUSIZINOMMVDV-UHFFFAOYSA-N 0 0 425.525 4.684 40 5 biogenic IJBBRN COc1ccccc1Nc1nc(Nc2ccc(Br)cc2)nc(C)c1[N+](=O)[O-] ZINC000006177593 568850923 /nfs/dbraw/zinc/85/09/23/568850923.db2.gz RWEGAAWJHDOGGY-UHFFFAOYSA-N 0 0 430.262 4.952 40 5 IJBBRN O=[N+]([O-])c1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)N=c3ccccc3=c3ccccc3=N2)cc1 ZINC000001556525 568859092 /nfs/dbraw/zinc/85/90/92/568859092.db2.gz NUWFNNOGPCUBGW-UHFFFAOYSA-N 0 0 448.438 4.569 40 5 IJBBRN COc1ccc(Nc2nc(Nc3ccc(Br)cc3)nc(C)c2[N+](=O)[O-])cc1 ZINC000016249513 568874925 /nfs/dbraw/zinc/87/49/25/568874925.db2.gz DZUQKXKKUUWZHF-UHFFFAOYSA-N 0 0 430.262 4.952 40 5 IJBBRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000223943508 568879850 /nfs/dbraw/zinc/87/98/50/568879850.db2.gz VUINROHRCFPYEC-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN COc1ccc([C@@H]2CCCCC[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000001706543 568879949 /nfs/dbraw/zinc/87/99/49/568879949.db2.gz MAFBUJOWFLDDIH-HKUYNNGSSA-N 0 0 429.469 4.894 40 5 IJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccccc1N1CCCCC1 ZINC000016450408 568903070 /nfs/dbraw/zinc/90/30/70/568903070.db2.gz GAIALXRCSHQASU-PKNBQFBNSA-N 0 0 444.944 4.765 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224178235 568908748 /nfs/dbraw/zinc/90/87/48/568908748.db2.gz QKIZRYZJLPMTLM-PKTZIBPZSA-N 0 0 441.516 4.958 40 5 IJBBRN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000017095001 569172742 /nfs/dbraw/zinc/17/27/42/569172742.db2.gz YIPPEVLSEHKHTM-OAHLLOKOSA-N 0 0 426.542 4.835 40 5 IJBBRN CCCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000017096978 569172967 /nfs/dbraw/zinc/17/29/67/569172967.db2.gz TXYREDCEIRXDID-UHFFFAOYSA-N 0 0 430.511 4.510 40 5 IJBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000017099812 569173556 /nfs/dbraw/zinc/17/35/56/569173556.db2.gz WHEQVYIKVPCTAY-LLVKDONJSA-N 0 0 435.933 4.812 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225024650 569213704 /nfs/dbraw/zinc/21/37/04/569213704.db2.gz GDWYLLMUDJENMC-FGZHOGPDSA-N 0 0 433.537 4.696 40 5 IJBBRN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000033941956 569247102 /nfs/dbraw/zinc/24/71/02/569247102.db2.gz PZXSRHJKEUNMJI-UHFFFAOYSA-N 0 0 443.488 4.845 40 5 IJBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C\c1nc(-c2ccccc2F)no1 ZINC000225241853 569275030 /nfs/dbraw/zinc/27/50/30/569275030.db2.gz GTECAMMSLLKSRX-LICLKQGHSA-N 0 0 446.847 4.625 40 5 IJBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)o2)cc1Cl ZINC000008902536 569292032 /nfs/dbraw/zinc/29/20/32/569292032.db2.gz IPBDAHULTKQQNJ-UHFFFAOYSA-N 0 0 441.871 4.906 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000009072495 569293533 /nfs/dbraw/zinc/29/35/33/569293533.db2.gz PYFHLCWKGRJSNT-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 ZINC000020145107 569335902 /nfs/dbraw/zinc/33/59/02/569335902.db2.gz CGTBBRQVTCUPKK-YCRREMRBSA-N 0 0 428.828 4.661 40 5 IJBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)CC1 ZINC000020142858 569336018 /nfs/dbraw/zinc/33/60/18/569336018.db2.gz ZQIZKTDOOJSXTI-UHFFFAOYSA-N 0 0 435.480 4.836 40 5 IJBBRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C ZINC000020196946 569355595 /nfs/dbraw/zinc/35/55/95/569355595.db2.gz SXSRPIZFBJGKAY-UHFFFAOYSA-N 0 0 432.889 4.570 40 5 IJBBRN NC(=O)c1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)c2c1CCCC2 ZINC000095117549 569358537 /nfs/dbraw/zinc/35/85/37/569358537.db2.gz MIMCNTWPNNYJMK-UHFFFAOYSA-N 0 0 447.516 4.610 40 5 IJBBRN COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2c1 ZINC000020412373 569363835 /nfs/dbraw/zinc/36/38/35/569363835.db2.gz STAHFKBVVWUXPK-UHFFFAOYSA-N 0 0 437.433 4.812 40 5 IJBBRN O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000020429040 569365292 /nfs/dbraw/zinc/36/52/92/569365292.db2.gz HKKNCKPDQCHPJW-UHFFFAOYSA-N 0 0 433.936 4.723 40 5 IJBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2[N+](=O)[O-])CC1 ZINC000057315888 569430814 /nfs/dbraw/zinc/43/08/14/569430814.db2.gz WJWMNEHRMAOXAB-UHFFFAOYSA-N 0 0 436.281 4.985 40 5 IJBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)s1 ZINC000039755725 569481877 /nfs/dbraw/zinc/48/18/77/569481877.db2.gz IVGCTHZUARRLAZ-UHFFFAOYSA-N 0 0 449.448 4.519 40 5 IJBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)c1[N+](=O)[O-] ZINC000408605800 193974829 /nfs/dbraw/zinc/97/48/29/193974829.db2.gz NDZHDUKGPBZBLP-RUDMXATFSA-N 0 0 431.807 4.872 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223358777 193971068 /nfs/dbraw/zinc/97/10/68/193971068.db2.gz VEFOHXYIFVFNCN-VXKWHMMOSA-N 0 0 445.504 4.546 40 5 IJBBRN CC(C)(C)CNc1cc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)ccc1[N+](=O)[O-] ZINC000013632936 534613964 /nfs/dbraw/zinc/61/39/64/534613964.db2.gz SMFFLOFPXHCNAG-UHFFFAOYSA-N 0 0 436.512 4.761 40 5 IJBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2F)cc1 ZINC000408686255 556616721 /nfs/dbraw/zinc/61/67/21/556616721.db2.gz RFDWDMKEAWDJLR-JOCHJYFZSA-N 0 0 427.453 4.830 40 5 IJBBRN CCN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408758037 556620292 /nfs/dbraw/zinc/62/02/92/556620292.db2.gz UPYGJRVIKBRYIL-UHFFFAOYSA-N 0 0 440.253 4.870 40 5 IJBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 ZINC000408906653 556623247 /nfs/dbraw/zinc/62/32/47/556623247.db2.gz CTZFOAFAQODJPQ-UHFFFAOYSA-N 0 0 447.472 4.801 40 5 IJBBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408962244 556626842 /nfs/dbraw/zinc/62/68/42/556626842.db2.gz XOTZDDHFAOZEEU-STZFKDTASA-N 0 0 448.504 4.688 40 5 IJBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409212837 556634624 /nfs/dbraw/zinc/63/46/24/556634624.db2.gz QYPUKZLYPINKLD-SGPNVBEDSA-N 0 0 444.465 4.541 40 5 IJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409228068 556635386 /nfs/dbraw/zinc/63/53/86/556635386.db2.gz SYLBHKQPURDUNL-HYARGMPZSA-N 0 0 443.459 4.575 40 5 IJBBRN CC(C)COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409348000 556637872 /nfs/dbraw/zinc/63/78/72/556637872.db2.gz PORUYDOTVIKIBS-JAIQZWGSSA-N 0 0 440.477 4.549 40 5 IJBBRN O=C(c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)n1cc(CO)c2ccccc21 ZINC000226767673 556685385 /nfs/dbraw/zinc/68/53/85/556685385.db2.gz JJMAEIXATDSVHL-UHFFFAOYSA-N 0 0 441.237 4.753 40 5 IJBBRN COc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000408810320 556862198 /nfs/dbraw/zinc/86/21/98/556862198.db2.gz KHXBHUNHSJCYBM-ZROIWOOFSA-N 0 0 435.255 4.607 40 5 IJBBRN O=C(Oc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O)c1ccc(Cl)cc1 ZINC000408838729 556868167 /nfs/dbraw/zinc/86/81/67/556868167.db2.gz HPEDCVPCLXUQQS-CPNJWEJPSA-N 0 0 448.818 4.812 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918350 556891249 /nfs/dbraw/zinc/89/12/49/556891249.db2.gz JLFBKHVVHCZBJU-LQDNNDEMSA-N 0 0 444.874 4.650 40 5 IJBBRN COCCCN1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O ZINC000409001869 556914585 /nfs/dbraw/zinc/91/45/85/556914585.db2.gz XFWFMPRGOHYBEB-UHFFFAOYSA-N 0 0 439.855 4.778 40 5 IJBBRN CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409221546 557016798 /nfs/dbraw/zinc/01/67/98/557016798.db2.gz RUFVDTGHDYSCGV-LICLKQGHSA-N 0 0 429.410 4.742 40 5 IJBBRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000205701898 557017958 /nfs/dbraw/zinc/01/79/58/557017958.db2.gz IJCDGZPLIJICMO-XDHOZWIPSA-N 0 0 428.466 4.629 40 5 IJBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc([N+](=O)[O-])cc1)N2 ZINC000409350512 557078494 /nfs/dbraw/zinc/07/84/94/557078494.db2.gz RZQJWEYECKFFNH-FRIZHTMISA-N 0 0 427.423 4.510 40 5 IJBBRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409867 557337128 /nfs/dbraw/zinc/33/71/28/557337128.db2.gz IDKZDWHMPPIGCL-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN O=[N+]([O-])c1ccc(Nc2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000100511310 557413032 /nfs/dbraw/zinc/41/30/32/557413032.db2.gz WOSYJLYORHUVDG-UHFFFAOYSA-N 0 0 440.328 4.807 40 5 IJBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000408559499 557416484 /nfs/dbraw/zinc/41/64/84/557416484.db2.gz VQHJBMAWBQLQFO-UHFFFAOYSA-N 0 0 435.480 4.932 40 5 IJBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccccc1 ZINC000408562616 557418108 /nfs/dbraw/zinc/41/81/08/557418108.db2.gz QYGMDGFGWAFMIZ-DQRAZIAOSA-N 0 0 440.481 4.747 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)cc(-c2ccc(Cl)cc2)n1 ZINC000408583357 557420171 /nfs/dbraw/zinc/42/01/71/557420171.db2.gz TYVGIISXULNFCI-UHFFFAOYSA-N 0 0 444.900 4.753 40 5 IJBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccccc3OC(F)F)cc2)c1[N+](=O)[O-] ZINC000408605250 557421336 /nfs/dbraw/zinc/42/13/36/557421336.db2.gz LHMORJXKYYURKK-DHZHZOJOSA-N 0 0 445.378 4.681 40 5 IJBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000014831594 557463703 /nfs/dbraw/zinc/46/37/03/557463703.db2.gz BZPHLBOWZNBVPB-JXMROGBWSA-N 0 0 446.916 4.513 40 5 IJBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000106698384 557531433 /nfs/dbraw/zinc/53/14/33/557531433.db2.gz OXGYFMLSLKKFCT-NVNXTCNLSA-N 0 0 437.246 4.733 40 5 IJBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CCOc1ccccc1 ZINC000106754847 557532115 /nfs/dbraw/zinc/53/21/15/557532115.db2.gz LQMYTFVRHLTKNF-ZHZULCJRSA-N 0 0 436.445 4.970 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224178011 568908707 /nfs/dbraw/zinc/90/87/07/568908707.db2.gz XVPUCQVBUICMDJ-PKTZIBPZSA-N 0 0 441.516 4.958 40 5 IJBBRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000017095682 569172399 /nfs/dbraw/zinc/17/23/99/569172399.db2.gz DAHMPQNVNLOLRQ-UHFFFAOYSA-N 0 0 428.235 4.888 40 5 IJBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017097438 569172927 /nfs/dbraw/zinc/17/29/27/569172927.db2.gz MBBWTMGRTFXCSQ-UHFFFAOYSA-N 0 0 431.404 4.611 40 5 IJBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2ccccc2c1 ZINC000017096757 569173041 /nfs/dbraw/zinc/17/30/41/569173041.db2.gz KJFPZJDGTSVNFI-UHFFFAOYSA-N 0 0 430.283 4.637 40 5 IJBBRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000010119237 569221376 /nfs/dbraw/zinc/22/13/76/569221376.db2.gz PYKNYFXLDGSWLB-UHFFFAOYSA-N 0 0 449.850 4.998 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 ZINC000010314282 569222536 /nfs/dbraw/zinc/22/25/36/569222536.db2.gz IKOXJHKYSCCWBR-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CCOC(=O)c1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCC2 ZINC000035177620 569248364 /nfs/dbraw/zinc/24/83/64/569248364.db2.gz WMVCZFYXNQWJNJ-UHFFFAOYSA-N 0 0 426.450 4.834 40 5 IJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Br)/C(Br)=C/c1ccccc1 ZINC000027563005 569272563 /nfs/dbraw/zinc/27/25/63/569272563.db2.gz DBJNUWLTGHEOGT-JYRVWZFOSA-N 0 0 426.064 4.732 40 5 IJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(I)cc1F ZINC000008832255 569291118 /nfs/dbraw/zinc/29/11/18/569291118.db2.gz GKBUYEASJBXEBR-QHHAFSJGSA-N 0 0 446.603 4.644 40 5 IJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)nc21 ZINC000010010666 569299060 /nfs/dbraw/zinc/29/90/60/569299060.db2.gz PSWFRSGITLEJKI-MRVPVSSYSA-N 0 0 442.280 4.926 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)cc1 ZINC000010315138 569299590 /nfs/dbraw/zinc/29/95/90/569299590.db2.gz ISPKXEXRZNMEQY-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)C(c1ccccc1)c1ccccc1 ZINC000019647417 569324969 /nfs/dbraw/zinc/32/49/69/569324969.db2.gz DQCCRRRILZACJQ-UHFFFAOYSA-N 0 0 448.529 4.850 40 5 IJBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000020142754 569335998 /nfs/dbraw/zinc/33/59/98/569335998.db2.gz FGVLSJGBAMEVEV-UHFFFAOYSA-N 0 0 441.871 4.853 40 5 IJBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1OC ZINC000020411975 569363846 /nfs/dbraw/zinc/36/38/46/569363846.db2.gz UYPAXWMNXIUSBS-UHFFFAOYSA-N 0 0 449.419 4.681 40 5 IJBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000214596984 569374659 /nfs/dbraw/zinc/37/46/59/569374659.db2.gz JSOFYMDTIRGRAE-FYJGNVAPSA-N 0 0 433.489 4.990 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000216050687 569423741 /nfs/dbraw/zinc/42/37/41/569423741.db2.gz HEJXOCLHWIHYJQ-UHFFFAOYSA-N 0 0 438.296 4.726 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000059132909 569459389 /nfs/dbraw/zinc/45/93/89/569459389.db2.gz WGKWKRAAZHTMND-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000059132871 569459410 /nfs/dbraw/zinc/45/94/10/569459410.db2.gz BVBLCUDLBTZKOP-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])c3ncccc23)n1-c1ccccc1 ZINC000059488867 569461561 /nfs/dbraw/zinc/46/15/61/569461561.db2.gz AFRKRUJHWSHACJ-UHFFFAOYSA-N 0 0 426.457 4.993 40 5 IJBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc3ccccc31)C1([N+](=O)[O-])c3ccccc3C2c2ccccc21 ZINC000059503351 569461709 /nfs/dbraw/zinc/46/17/09/569461709.db2.gz SCQUEJIIISJNOO-MSVKLTOBSA-N 0 0 446.462 4.625 40 5 IJBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 ZINC000020611271 523349778 /nfs/dbraw/zinc/34/97/78/523349778.db2.gz SZSCZLHQLLJYDL-UHFFFAOYSA-N 0 0 437.843 4.551 40 5 IJBBRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1Cl ZINC000020610782 523350185 /nfs/dbraw/zinc/35/01/85/523350185.db2.gz FMYJFYDKOCIMPQ-UHFFFAOYSA-N 0 0 437.843 4.551 40 5 IJBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OCC ZINC000408567132 555910420 /nfs/dbraw/zinc/91/04/20/555910420.db2.gz GOPWVSSXUKNUAU-OAQYLSRUSA-N 0 0 442.541 4.792 40 5 IJBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2F)cc1 ZINC000408688121 556616860 /nfs/dbraw/zinc/61/68/60/556616860.db2.gz VTCNGRXCOIPIKI-QFIPXVFZSA-N 0 0 427.453 4.830 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000408729027 556618192 /nfs/dbraw/zinc/61/81/92/556618192.db2.gz XBMZHGARWPGBIQ-DDBVPJQNSA-N 0 0 438.483 4.648 40 5 IJBBRN Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c(C)c1 ZINC000408738224 556618594 /nfs/dbraw/zinc/61/85/94/556618594.db2.gz QONJLMYUIXNHKD-HSZRJFAPSA-N 0 0 447.491 4.688 40 5 IJBBRN Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 ZINC000408736751 556618734 /nfs/dbraw/zinc/61/87/34/556618734.db2.gz GXJDNFKRXROFGC-HSZRJFAPSA-N 0 0 447.491 4.688 40 5 IJBBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000408801187 556858584 /nfs/dbraw/zinc/85/85/84/556858584.db2.gz SAKRYHWLBRMQCX-UHFFFAOYSA-N 0 0 436.469 4.935 40 5 IJBBRN CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cc(OC)cc(OC)c1 ZINC000408824541 556866456 /nfs/dbraw/zinc/86/64/56/556866456.db2.gz IEPRFUNCADAZGI-UHFFFAOYSA-N 0 0 427.482 4.940 40 5 IJBBRN COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1Br ZINC000408826205 556866541 /nfs/dbraw/zinc/86/65/41/556866541.db2.gz IWFFOMGPRMOVBZ-UHFFFAOYSA-N 0 0 434.271 4.742 40 5 IJBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1C ZINC000408918052 556891302 /nfs/dbraw/zinc/89/13/02/556891302.db2.gz FNRUCCWREOJEFG-ZCOIRKDISA-N 0 0 438.483 4.782 40 5 IJBBRN COc1cc2nc3ccc(NC(=S)Nc4ccc(N(C)C)cc4)cc3nc2cc1OC ZINC000408995890 556912243 /nfs/dbraw/zinc/91/22/43/556912243.db2.gz BWSOCCPGXQEFFK-UHFFFAOYSA-N 0 0 433.537 4.675 40 5 IJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000409177551 556986400 /nfs/dbraw/zinc/98/64/00/556986400.db2.gz BZLUYGHHNLZCRX-HXUWFJFHSA-N 0 0 440.795 4.937 40 5 IJBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(OC)cc1 ZINC000409194886 556993401 /nfs/dbraw/zinc/99/34/01/556993401.db2.gz DWCPPEDMTTWRTO-XDOYNYLZSA-N 0 0 431.901 4.627 40 5 IJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000409189839 556995909 /nfs/dbraw/zinc/99/59/09/556995909.db2.gz JEPDMOKVIHFNAN-KNTWBIPSSA-N 0 0 440.411 4.558 40 5 IJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)c1 ZINC000409230620 557022275 /nfs/dbraw/zinc/02/22/75/557022275.db2.gz DLSHNXYNYUNWAB-OEAKJJBVSA-N 0 0 443.459 4.575 40 5 IJBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nn12 ZINC000057312938 557238700 /nfs/dbraw/zinc/23/87/00/557238700.db2.gz RGPLKPPPZHJZCI-UHFFFAOYSA-N 0 0 446.448 4.582 40 5 IJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317067 557240511 /nfs/dbraw/zinc/24/05/11/557240511.db2.gz BBJAACLBHDTUNU-NYYWCZLTSA-N 0 0 427.254 4.947 40 5 IJBBRN Cc1c(Cl)cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc(Cl)c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000100099231 557257325 /nfs/dbraw/zinc/25/73/25/557257325.db2.gz SWYICCQIZRSREC-UHFFFAOYSA-N 0 0 431.144 4.910 40 5 IJBBRN Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3O)oc2c1 ZINC000014270256 557332004 /nfs/dbraw/zinc/33/20/04/557332004.db2.gz CZWBBFUNSBSVNG-UHFFFAOYSA-N 0 0 448.460 4.544 40 5 IJBBRN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409811 557337154 /nfs/dbraw/zinc/33/71/54/557337154.db2.gz TVPXQYDNDAPOKX-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN CN1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229371 557343324 /nfs/dbraw/zinc/34/33/24/557343324.db2.gz YPBKKMFDTYKXMH-UHFFFAOYSA-N 0 0 443.718 4.559 40 5 IJBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408541657 557415824 /nfs/dbraw/zinc/41/58/24/557415824.db2.gz FAESEKHKUXXSLU-XFFZJAGNSA-N 0 0 425.397 4.948 40 5 IJBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408560288 557416792 /nfs/dbraw/zinc/41/67/92/557416792.db2.gz YMJMMTRICFVNFF-UHFFFAOYSA-N 0 0 441.871 4.886 40 5 IJBBRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000408563363 557417323 /nfs/dbraw/zinc/41/73/23/557417323.db2.gz LZQWZXZFOPIVBK-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000408562889 557418310 /nfs/dbraw/zinc/41/83/10/557418310.db2.gz SDOMNVKNMFQGHA-VZCXRCSSSA-N 0 0 446.326 4.957 40 5 IJBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC ZINC000408565427 557418590 /nfs/dbraw/zinc/41/85/90/557418590.db2.gz BVOMFNXBZNMWAA-OAQYLSRUSA-N 0 0 442.541 4.710 40 5 IJBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000408602112 557420816 /nfs/dbraw/zinc/42/08/16/557420816.db2.gz AKRAUDQVAFXDEZ-VQHVLOKHSA-N 0 0 443.843 4.741 40 5 IJBBRN Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408640008 557424172 /nfs/dbraw/zinc/42/41/72/557424172.db2.gz HVWAQBASGNEGSK-KRWDZBQOSA-N 0 0 431.448 4.687 40 5 IJBBRN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1C ZINC000408642697 557424539 /nfs/dbraw/zinc/42/45/39/557424539.db2.gz PMIZSWGGBKOSQP-SFHVURJKSA-N 0 0 445.475 4.996 40 5 IJBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O ZINC000106745287 557532547 /nfs/dbraw/zinc/53/25/47/557532547.db2.gz YCSNCOOSZNCGKL-SXGWCWSVSA-N 0 0 434.857 4.589 40 5 IJBBRN O=[N+]([O-])c1ccc2nc(NCCCNc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1 ZINC000059461260 568800516 /nfs/dbraw/zinc/80/05/16/568800516.db2.gz QCUZTLIJMZXZDQ-UHFFFAOYSA-N 0 0 430.471 4.637 40 5 IJBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223363254 568819679 /nfs/dbraw/zinc/81/96/79/568819679.db2.gz HFRSJXUWMUGOQY-LJQANCHMSA-N 0 0 445.947 4.513 40 5 IJBBRN CCc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000016161264 568871999 /nfs/dbraw/zinc/87/19/99/568871999.db2.gz RKUHRGOJMMSQCB-UHFFFAOYSA-N 0 0 430.629 4.668 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224178115 568908730 /nfs/dbraw/zinc/90/87/30/568908730.db2.gz XVPUCQVBUICMDJ-GOTSBHOMSA-N 0 0 441.516 4.958 40 5 IJBBRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224527043 568937136 /nfs/dbraw/zinc/93/71/36/568937136.db2.gz ANYAIJIXHJYBRS-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017103099 569173672 /nfs/dbraw/zinc/17/36/72/569173672.db2.gz XFLOVESGJDSSCN-UHFFFAOYSA-N 0 0 439.324 4.629 40 5 IJBBRN CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224785766 569186892 /nfs/dbraw/zinc/18/68/92/569186892.db2.gz PKQFIPLAJABDQI-UHFFFAOYSA-N 0 0 433.711 4.534 40 5 IJBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br ZINC000214995308 569213720 /nfs/dbraw/zinc/21/37/20/569213720.db2.gz QCXZVTAGQDWIAI-CXUHLZMHSA-N 0 0 449.282 4.602 40 5 IJBBRN CC(C)(C)c1cc(C(=O)NCC(=O)OCc2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1 ZINC000006159343 569218544 /nfs/dbraw/zinc/21/85/44/569218544.db2.gz POUVSLSYKNNNJO-UHFFFAOYSA-N 0 0 426.513 4.663 40 5 IJBBRN CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000108015015 569252051 /nfs/dbraw/zinc/25/20/51/569252051.db2.gz OAVDLWDYUBLTLQ-QGZVFWFLSA-N 0 0 435.889 4.709 40 5 IJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000027833311 569302004 /nfs/dbraw/zinc/30/20/04/569302004.db2.gz LTMQPIBUMRCZCT-UHFFFAOYSA-N 0 0 444.310 4.946 40 5 IJBBRN Cc1cccc(-c2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)c1 ZINC000019927255 569331882 /nfs/dbraw/zinc/33/18/82/569331882.db2.gz ONBZOOTYJPWGDA-UHFFFAOYSA-N 0 0 434.271 4.691 40 5 IJBBRN O=C(Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2s1)c1ccco1 ZINC000020411033 569363864 /nfs/dbraw/zinc/36/38/64/569363864.db2.gz KQXYNCLLVIMZFQ-UHFFFAOYSA-N 0 0 442.840 4.956 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000218408338 569457352 /nfs/dbraw/zinc/45/73/52/569457352.db2.gz KIJLYAVTNBWCIK-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=C1S/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000032124798 569460314 /nfs/dbraw/zinc/46/03/14/569460314.db2.gz KLAJMVGHCRSWDT-CXUHLZMHSA-N 0 0 436.898 4.574 40 5 IJBBRN O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000059417103 569461301 /nfs/dbraw/zinc/46/13/01/569461301.db2.gz YAEUFGZCWAXESJ-CYBMUJFWSA-N 0 0 428.338 4.563 40 5 IJBBRN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000059484376 569461585 /nfs/dbraw/zinc/46/15/85/569461585.db2.gz BUQSQCYDCOZAJN-UHFFFAOYSA-N 0 0 435.267 4.707 40 5 IJBBRN O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008831079 569583496 /nfs/dbraw/zinc/58/34/96/569583496.db2.gz BOHLBXOMNMSAKC-UHFFFAOYSA-N 0 0 442.453 4.730 40 5 IJBBRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1C ZINC000013633121 132352237 /nfs/dbraw/zinc/35/22/37/132352237.db2.gz DAYMJGKPWMOTIF-UHFFFAOYSA-N 0 0 444.535 4.786 40 5 IJBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c3ccccc3nc2N1 ZINC000020797269 520809542 /nfs/dbraw/zinc/80/95/42/520809542.db2.gz YKDRBTWZZOLKFR-JOCHJYFZSA-N 0 0 425.448 4.872 40 5 IJBBRN Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020609958 525930331 /nfs/dbraw/zinc/93/03/31/525930331.db2.gz ZBFVWZGBTIWXMN-VZUCSPMQSA-N 0 0 433.855 4.942 40 5 IJBBRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408675635 556068225 /nfs/dbraw/zinc/06/82/25/556068225.db2.gz KALKGCIENZGPBY-UHFFFAOYSA-N 0 0 429.432 4.653 40 5 IJBBRN Nc1c(Br)cc2[nH]c(=O)c3cc(Br)ccc3c2c1Br ZINC000008627890 556193843 /nfs/dbraw/zinc/19/38/43/556193843.db2.gz ULWPPXBIYOKUPE-UHFFFAOYSA-N 0 0 446.924 4.551 40 5 IJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 ZINC000408693680 556616151 /nfs/dbraw/zinc/61/61/51/556616151.db2.gz BUBKIROAFGILGD-UHFFFAOYSA-N 0 0 437.818 4.887 40 5 IJBBRN Cc1cccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409180097 556632736 /nfs/dbraw/zinc/63/27/36/556632736.db2.gz PCJGZEYROHCEDP-VWLOTQADSA-N 0 0 446.459 4.789 40 5 IJBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409176783 556632847 /nfs/dbraw/zinc/63/28/47/556632847.db2.gz XQLQQFDDTXJWMM-UHFFFAOYSA-N 0 0 439.336 4.561 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2ccc(C(F)(F)F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409356999 556637959 /nfs/dbraw/zinc/63/79/59/556637959.db2.gz HWZXLSZFSOLJAJ-SXGWCWSVSA-N 0 0 436.367 4.533 40 5 IJBBRN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409267187 557039699 /nfs/dbraw/zinc/03/96/99/557039699.db2.gz TVECZUMEOKYCSG-UHFFFAOYSA-N 0 0 431.404 4.529 40 5 IJBBRN O=[N+]([O-])c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000100054467 557217140 /nfs/dbraw/zinc/21/71/40/557217140.db2.gz NCJIBBAKIPAWMQ-UHFFFAOYSA-N 0 0 444.363 4.597 40 5 IJBBRN COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccccc2)cc1 ZINC000102188478 557314266 /nfs/dbraw/zinc/31/42/66/557314266.db2.gz PGMOKPXIUVCHPT-NGSHPTGOSA-N 0 0 426.472 4.591 40 5 IJBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014271873 557332642 /nfs/dbraw/zinc/33/26/42/557332642.db2.gz VFKZVCGZGZNBCE-UHFFFAOYSA-N 0 0 446.960 4.920 40 5 IJBBRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000072229991 557343303 /nfs/dbraw/zinc/34/33/03/557343303.db2.gz JVRMVNQUMJWQSZ-OAQYLSRUSA-N 0 0 426.856 4.981 40 5 IJBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Cl ZINC000408568683 557418018 /nfs/dbraw/zinc/41/80/18/557418018.db2.gz IHPFBMRDOWDEHK-IBGZPJMESA-N 0 0 432.933 4.965 40 5 IJBBRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1 ZINC000408562541 557418540 /nfs/dbraw/zinc/41/85/40/557418540.db2.gz AGQBOYPFCCVYQL-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408562278 557418701 /nfs/dbraw/zinc/41/87/01/557418701.db2.gz OOIRRVGRHFHIAY-DQRAZIAOSA-N 0 0 440.481 4.719 40 5 IJBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OCC ZINC000408567131 557418707 /nfs/dbraw/zinc/41/87/07/557418707.db2.gz GOPWVSSXUKNUAU-NRFANRHFSA-N 0 0 442.541 4.792 40 5 IJBBRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 ZINC000408639108 557423896 /nfs/dbraw/zinc/42/38/96/557423896.db2.gz FGZGGARDCLAVBY-QGZVFWFLSA-N 0 0 431.448 4.687 40 5 IJBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408642998 557424710 /nfs/dbraw/zinc/42/47/10/557424710.db2.gz QJJPQIRAGSWVBP-NSHDSACASA-N 0 0 441.793 4.567 40 5 IJBBRN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000408646488 557424966 /nfs/dbraw/zinc/42/49/66/557424966.db2.gz OVCXTXLVIIFWLK-UHFFFAOYSA-N 0 0 441.443 4.914 40 5 IJBBRN CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000408668301 557427726 /nfs/dbraw/zinc/42/77/26/557427726.db2.gz DOTCQKXLRLTSSH-UHFFFAOYSA-N 0 0 443.459 4.773 40 5 IJBBRN Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000408670361 557427870 /nfs/dbraw/zinc/42/78/70/557427870.db2.gz IOYNXWPKRHVXKE-UHFFFAOYSA-N 0 0 435.823 4.610 40 5 IJBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000014269518 557428753 /nfs/dbraw/zinc/42/87/53/557428753.db2.gz SGGWCEHLHIRNGF-UHFFFAOYSA-N 0 0 441.896 4.954 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 ZINC000222634496 568655791 /nfs/dbraw/zinc/65/57/91/568655791.db2.gz RPFGMBYKVVQZPW-ZEWGMFERSA-N 0 0 436.493 4.848 40 5 IJBBRN O=C1S/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000032124596 568781468 /nfs/dbraw/zinc/78/14/68/568781468.db2.gz QKTIECIHPKZIIA-MHWRWJLKSA-N 0 0 436.898 4.574 40 5 IJBBRN CCOc1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 ZINC000006089793 568821863 /nfs/dbraw/zinc/82/18/63/568821863.db2.gz BBVIAKZNXCHANL-UHFFFAOYSA-N 0 0 435.914 4.988 40 5 IJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1c3ccccc3C2c2ccccc21 ZINC000035146757 568823651 /nfs/dbraw/zinc/82/36/51/568823651.db2.gz QOHHSJVTVWBKPO-UJKMTWAASA-N 0 0 430.847 4.645 40 5 IJBBRN CCc1cc(I)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016161256 568872069 /nfs/dbraw/zinc/87/20/69/568872069.db2.gz HUMBXVJAUPZWQX-UHFFFAOYSA-N 0 0 430.629 4.668 40 5 IJBBRN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000006444231 568906937 /nfs/dbraw/zinc/90/69/37/568906937.db2.gz YLBPZRFMUJAPQQ-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000016477701 568909429 /nfs/dbraw/zinc/90/94/29/568909429.db2.gz VUXVNZYRZQKKDE-UHFFFAOYSA-N 0 0 443.425 4.974 40 5 IJBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000006510977 568928353 /nfs/dbraw/zinc/92/83/53/568928353.db2.gz KVJWUDQCWVYRCA-UHFFFAOYSA-N 0 0 444.447 4.881 40 5 IJBBRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000017095680 569172954 /nfs/dbraw/zinc/17/29/54/569172954.db2.gz ZIOXSGCJZOGRTA-UHFFFAOYSA-N 0 0 428.235 4.888 40 5 IJBBRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC ZINC000214904409 569191446 /nfs/dbraw/zinc/19/14/46/569191446.db2.gz WSWCHHKYHCPQGZ-XDHOZWIPSA-N 0 0 428.466 4.629 40 5 IJBBRN C[C@@H]1CCC[C@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)[C@H]1C ZINC000253574949 569208773 /nfs/dbraw/zinc/20/87/73/569208773.db2.gz UBIAEIPBMUHLGE-WYEJZRMESA-N 0 0 427.548 4.951 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)cc1 ZINC000010313869 569222395 /nfs/dbraw/zinc/22/23/95/569222395.db2.gz CEPNNQGIPKUTNM-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN O=C(NC(=S)Nc1ccccc1Br)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033366054 569243568 /nfs/dbraw/zinc/24/35/68/569243568.db2.gz IVOHPRALXVUHTD-UHFFFAOYSA-N 0 0 446.282 4.744 40 5 IJBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C ZINC000107694700 569250971 /nfs/dbraw/zinc/25/09/71/569250971.db2.gz ACZZXJFREHIWCZ-UHFFFAOYSA-N 0 0 440.437 4.507 40 5 IJBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)sc2c1 ZINC000008903162 569292206 /nfs/dbraw/zinc/29/22/06/569292206.db2.gz UXRSNQHXIJAIBM-UHFFFAOYSA-N 0 0 443.481 4.812 40 5 IJBBRN Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1O ZINC000009064890 569293416 /nfs/dbraw/zinc/29/34/16/569293416.db2.gz PROMFCULANPRJQ-UHFFFAOYSA-N 0 0 448.460 4.544 40 5 IJBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000009142364 569293952 /nfs/dbraw/zinc/29/39/52/569293952.db2.gz CKYUJYWFPDJXKX-UHFFFAOYSA-N 0 0 441.896 4.954 40 5 IJBBRN Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)oc2cc1C ZINC000010120456 569299415 /nfs/dbraw/zinc/29/94/15/569299415.db2.gz LXZKIQAWDNBJRP-UHFFFAOYSA-N 0 0 431.448 4.715 40 5 IJBBRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010672673 569300610 /nfs/dbraw/zinc/30/06/10/569300610.db2.gz ZTGJCLYCMJYASM-UHFFFAOYSA-N 0 0 425.253 4.682 40 5 IJBBRN O=c1nc(Cc2ccccc2)n(Cc2ccc(C(F)(F)F)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000013028243 569307275 /nfs/dbraw/zinc/30/72/75/569307275.db2.gz ITTSQBMRWZFHSL-UHFFFAOYSA-N 0 0 439.393 4.963 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 ZINC000019931657 569332136 /nfs/dbraw/zinc/33/21/36/569332136.db2.gz PKEWPGDYYOEGBS-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN COc1ccc(-c2ccc(C(=O)Nc3cccc(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 ZINC000020140673 569336020 /nfs/dbraw/zinc/33/60/20/569336020.db2.gz NKDGIGLMSFGWQO-UHFFFAOYSA-N 0 0 434.404 4.868 40 5 IJBBRN CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000020197181 569355629 /nfs/dbraw/zinc/35/56/29/569355629.db2.gz JOYPLAFONAIYOA-UHFFFAOYSA-N 0 0 432.889 4.515 40 5 IJBBRN COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 ZINC000020412356 569363855 /nfs/dbraw/zinc/36/38/55/569363855.db2.gz QOXJAWMDBJKEKR-DHZHZOJOSA-N 0 0 449.444 4.903 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000003015412 569435335 /nfs/dbraw/zinc/43/53/35/569435335.db2.gz LXHSMDOFVSAHQE-UHFFFAOYSA-N 0 0 434.408 4.624 40 5 IJBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 ZINC000032118889 569583686 /nfs/dbraw/zinc/58/36/86/569583686.db2.gz HMRUPCRFLVBMGX-UHFFFAOYSA-N 0 0 428.539 4.982 40 5 IJBBRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000021005549 520542231 /nfs/dbraw/zinc/54/22/31/520542231.db2.gz ARIAXHBCZMRCHI-QHCPKHFHSA-N 0 0 440.459 4.934 40 5 IJBBRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610037 523350027 /nfs/dbraw/zinc/35/00/27/523350027.db2.gz VBGJVZWRGJXKDP-QDEBKDIKSA-N 0 0 449.854 4.643 40 5 IJBBRN O=C(/C=C\c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)NCc1ccc(F)cc1 ZINC000012844365 527657235 /nfs/dbraw/zinc/65/72/35/527657235.db2.gz DEKYQOIXZHPZNF-TWGQIWQCSA-N 0 0 437.383 4.764 40 5 IJBBRN O=C(c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000035352348 556080966 /nfs/dbraw/zinc/08/09/66/556080966.db2.gz MCSDNLSAYZDNSM-UHFFFAOYSA-N 0 0 444.535 4.701 40 5 IJBBRN O=C(Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408737680 556619232 /nfs/dbraw/zinc/61/92/32/556619232.db2.gz UUCHUSRJQRXBLQ-MOSHPQCFSA-N 0 0 448.818 4.812 40 5 IJBBRN CCOC(=O)[C@@H](C(C)=O)C(c1c2ccccc2cc2ccccc21)[C@@H](C(C)=O)C(=O)OCC ZINC000016682142 556624558 /nfs/dbraw/zinc/62/45/58/556624558.db2.gz ZAWXSOPDZSJZFM-HCGNOCCLSA-N 0 0 448.515 4.613 40 5 IJBBRN O=C1NC(=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000409104896 556630056 /nfs/dbraw/zinc/63/00/56/556630056.db2.gz KTRXTENXYYRYOZ-YBFXNURJSA-N 0 0 449.850 4.925 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918352 556891240 /nfs/dbraw/zinc/89/12/40/556891240.db2.gz JLFBKHVVHCZBJU-YCIYHOANSA-N 0 0 444.874 4.650 40 5 IJBBRN O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1F ZINC000409073012 556946452 /nfs/dbraw/zinc/94/64/52/556946452.db2.gz UNPYIJGQYHDORO-LICLKQGHSA-N 0 0 441.802 4.740 40 5 IJBBRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000014009734 557277476 /nfs/dbraw/zinc/27/74/76/557277476.db2.gz GLTHIQKFAMDZTE-UHFFFAOYSA-N 0 0 436.331 4.782 40 5 IJBBRN CN1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229375 557343543 /nfs/dbraw/zinc/34/35/43/557343543.db2.gz GDCYIBRPNSLYSQ-UHFFFAOYSA-N 0 0 443.718 4.559 40 5 IJBBRN CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 ZINC000408562628 557418317 /nfs/dbraw/zinc/41/83/17/557418317.db2.gz RAADQDLCASNGJM-LNVKXUELSA-N 0 0 429.473 4.596 40 5 IJBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408569095 557419247 /nfs/dbraw/zinc/41/92/47/557419247.db2.gz ITVJMEAUSZLRCA-LJQANCHMSA-N 0 0 448.932 4.747 40 5 IJBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(SC)cc2)cc1 ZINC000408574557 557419933 /nfs/dbraw/zinc/41/99/33/557419933.db2.gz VEQISHKGTKTSRQ-LJQANCHMSA-N 0 0 430.555 4.806 40 5 IJBBRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 ZINC000408637813 557423660 /nfs/dbraw/zinc/42/36/60/557423660.db2.gz AFZFJGFVKNGGCR-GOSISDBHSA-N 0 0 445.475 4.996 40 5 IJBBRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1 ZINC000408649058 557425347 /nfs/dbraw/zinc/42/53/47/557425347.db2.gz ZHWSXSUTCMVGHP-GOSISDBHSA-N 0 0 445.475 4.996 40 5 IJBBRN CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 ZINC000225872961 557787748 /nfs/dbraw/zinc/78/77/48/557787748.db2.gz PIYBZQIKJZQSOQ-UHFFFAOYSA-N 0 0 449.507 4.865 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C(=O)c1ccccc1Cl)C1CCCCC1 ZINC000000853546 557830648 /nfs/dbraw/zinc/83/06/48/557830648.db2.gz FCWRKMDUMLXVHN-UHFFFAOYSA-N 0 0 429.904 4.970 40 5 IJBBRN O=[N+]([O-])c1ccc(Oc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000104254440 568622390 /nfs/dbraw/zinc/62/23/90/568622390.db2.gz SWTQBRKNHRBDLM-UHFFFAOYSA-N 0 0 442.296 4.904 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223358864 568818313 /nfs/dbraw/zinc/81/83/13/568818313.db2.gz WVMNISBNGSAAAV-FGZHOGPDSA-N 0 0 445.504 4.546 40 5 IJBBRN O=C1c2ccc(Cl)c3c(Cl)ccc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016385860 568886064 /nfs/dbraw/zinc/88/60/64/568886064.db2.gz LWOLYBKSQPFDKV-UHFFFAOYSA-N 0 0 447.190 4.586 40 5 IJBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccccc1 ZINC000006446606 568906903 /nfs/dbraw/zinc/90/69/03/568906903.db2.gz RFJAQAQHUJJVFT-UHFFFAOYSA-N 0 0 431.477 4.573 40 5 IJBBRN CCOc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])ccc3o2)cc1 ZINC000006601781 568936336 /nfs/dbraw/zinc/93/63/36/568936336.db2.gz BVCAJEYIWLRWJR-UHFFFAOYSA-N 0 0 448.391 4.962 40 5 IJBBRN O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)c1cccc([N+](=O)[O-])c1 ZINC000016768927 569161555 /nfs/dbraw/zinc/16/15/55/569161555.db2.gz QUWYGWNJKBMBDG-UHFFFAOYSA-N 0 0 440.264 4.882 40 5 IJBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)cc1I ZINC000017097189 569172642 /nfs/dbraw/zinc/17/26/42/569172642.db2.gz BPQFMPFXXSVZLL-UHFFFAOYSA-N 0 0 430.629 4.722 40 5 IJBBRN O=C(NC(=S)Nc1cccc2ccccc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017098953 569173553 /nfs/dbraw/zinc/17/35/53/569173553.db2.gz FTZTUJFFABNCER-UHFFFAOYSA-N 0 0 434.521 4.865 40 5 IJBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000033399906 569243912 /nfs/dbraw/zinc/24/39/12/569243912.db2.gz YOZUPNZBCWDKDV-CYBMUJFWSA-N 0 0 445.932 4.643 40 5 IJBBRN CC(=O)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(C)=O)cc3)cc([N+](=O)[O-])c2)cc1 ZINC000033509620 569244225 /nfs/dbraw/zinc/24/42/25/569244225.db2.gz BYUUSQCJLFTHCU-UHFFFAOYSA-N 0 0 445.431 4.505 40 5 IJBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107827262 569251322 /nfs/dbraw/zinc/25/13/22/569251322.db2.gz XPEIZTYONVOEDQ-UHFFFAOYSA-N 0 0 446.828 4.543 40 5 IJBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c4ccccc4cc4ccccc43)C2=O)c1 ZINC000210838650 569258997 /nfs/dbraw/zinc/25/89/97/569258997.db2.gz SKWWCFACXRNPJA-BUVRLJJBSA-N 0 0 435.483 4.833 40 5 IJBBRN COc1c(Br)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000008832282 569291099 /nfs/dbraw/zinc/29/10/99/569291099.db2.gz AEFWGYIUSLEIOZ-UHFFFAOYSA-N 0 0 444.079 4.689 40 5 IJBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000019630656 569323984 /nfs/dbraw/zinc/32/39/84/569323984.db2.gz UUJBIUWUFZDZQB-UHFFFAOYSA-N 0 0 439.855 4.667 40 5 IJBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCC ZINC000225677076 569392721 /nfs/dbraw/zinc/39/27/21/569392721.db2.gz WBHFZYGAICRPDU-UHFFFAOYSA-N 0 0 426.469 4.621 40 5 IJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225589024 569404847 /nfs/dbraw/zinc/40/48/47/569404847.db2.gz CXSBHRRNSZVOHU-OXJNMPFZSA-N 0 0 445.947 4.513 40 5 IJBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225616909 569405793 /nfs/dbraw/zinc/40/57/93/569405793.db2.gz KWZIYTVFGMPJIE-OXJNMPFZSA-N 0 0 445.947 4.513 40 5 IJBBRN Cc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])o2)NC(=O)c2ccccc2Cl)cc1 ZINC000028048291 569406473 /nfs/dbraw/zinc/40/64/73/569406473.db2.gz IWEBSYGBQICEJQ-LDADJPATSA-N 0 0 425.828 4.559 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000038753955 569468842 /nfs/dbraw/zinc/46/88/42/569468842.db2.gz PXSBPTFFWYJIBH-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038856360 569469296 /nfs/dbraw/zinc/46/92/96/569469296.db2.gz KRUAHLSBJBWYDC-UHFFFAOYSA-N 0 0 438.311 4.761 40 5 IJBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccco2)cc1 ZINC000006280116 193894804 /nfs/dbraw/zinc/89/48/04/193894804.db2.gz FJLIPZDUOKTADM-UHFFFAOYSA-N 0 0 449.492 4.783 40 5 IJBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000012844817 525079369 /nfs/dbraw/zinc/07/93/69/525079369.db2.gz LBEKPYOTYNOWPN-UHFFFAOYSA-N 0 0 438.387 4.703 40 5 IJBBRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012177681 527078709 /nfs/dbraw/zinc/07/87/09/527078709.db2.gz FEGLKJUCWOUFPQ-UHFFFAOYSA-N 0 0 425.253 4.682 40 5 IJBBRN O=Cc1cc(Br)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000035657281 527143616 /nfs/dbraw/zinc/14/36/16/527143616.db2.gz MKXSKOQPFGNJAW-UHFFFAOYSA-N 0 0 446.007 4.633 40 5 IJBBRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408655281 556613633 /nfs/dbraw/zinc/61/36/33/556613633.db2.gz GVPLVHYLLUFQPY-SFHVURJKSA-N 0 0 444.487 4.879 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000408736584 556618626 /nfs/dbraw/zinc/61/86/26/556618626.db2.gz CZVYZPWFSQLMAW-XMMPIXPASA-N 0 0 445.519 4.815 40 5 IJBBRN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cc(OC)cc(OC)c1 ZINC000408823567 556621047 /nfs/dbraw/zinc/62/10/47/556621047.db2.gz GBTJPARCOCBBRW-UHFFFAOYSA-N 0 0 427.482 4.940 40 5 IJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1Cl ZINC000409165210 556632222 /nfs/dbraw/zinc/63/22/22/556632222.db2.gz UVJQLJIZXFCGIL-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN Cc1cc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C)c1Cl ZINC000409181208 556633245 /nfs/dbraw/zinc/63/32/45/556633245.db2.gz ZCPAXJWHLAOHDR-UHFFFAOYSA-N 0 0 445.880 4.917 40 5 IJBBRN O=c1oc2c3cc4c5c(c3oc(=O)c2c(Cl)c1Cc1ccccc1)CCCN5CCC4 ZINC000006446339 556833463 /nfs/dbraw/zinc/83/34/63/556833463.db2.gz PVIXBUMIPDWISW-UHFFFAOYSA-N 0 0 433.891 4.842 40 5 IJBBRN Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409173377 556984484 /nfs/dbraw/zinc/98/44/84/556984484.db2.gz LMNSBPYWMDCSMC-UHFFFAOYSA-N 0 0 430.869 4.642 40 5 IJBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409173928 556984743 /nfs/dbraw/zinc/98/47/43/556984743.db2.gz PPEHBRCDOIVVJS-UHFFFAOYSA-N 0 0 439.336 4.561 40 5 IJBBRN CC1CCN(c2ccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2[N+](=O)[O-])CC1 ZINC000057315807 557245719 /nfs/dbraw/zinc/24/57/19/557245719.db2.gz FRVGKXKIKTYLLV-UHFFFAOYSA-N 0 0 441.469 4.601 40 5 IJBBRN COc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc1[N+](=O)[O-] ZINC000408535431 557415558 /nfs/dbraw/zinc/41/55/58/557415558.db2.gz YTNASCOZBJBXTK-UHFFFAOYSA-N 0 0 427.416 4.947 40 5 IJBBRN CCCOc1c(I)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408607314 557421403 /nfs/dbraw/zinc/42/14/03/557421403.db2.gz KUQDUCWMHQZASQ-UHFFFAOYSA-N 0 0 442.253 4.609 40 5 IJBBRN O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408644574 557424719 /nfs/dbraw/zinc/42/47/19/557424719.db2.gz GTCLJJUOHLKKRJ-UHFFFAOYSA-N 0 0 445.406 4.745 40 5 IJBBRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408642997 557424734 /nfs/dbraw/zinc/42/47/34/557424734.db2.gz QJJPQIRAGSWVBP-LLVKDONJSA-N 0 0 441.793 4.567 40 5 IJBBRN COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000014270728 557430039 /nfs/dbraw/zinc/43/00/39/557430039.db2.gz ZTWVHUWNXSPSMF-UHFFFAOYSA-N 0 0 448.460 4.538 40 5 IJBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001960874 568859266 /nfs/dbraw/zinc/85/92/66/568859266.db2.gz APKUXQLQIKSUNY-UHFFFAOYSA-N 0 0 437.157 4.716 40 5 IJBBRN COc1ccc([C@@H]2CCCCC[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000001706541 568879986 /nfs/dbraw/zinc/87/99/86/568879986.db2.gz MAFBUJOWFLDDIH-PKOBYXMFSA-N 0 0 429.469 4.894 40 5 IJBBRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006246588 568880861 /nfs/dbraw/zinc/88/08/61/568880861.db2.gz ZMBVAJAJWPXVRO-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000006444077 568906933 /nfs/dbraw/zinc/90/69/33/568906933.db2.gz TXTVWYVNNACHPZ-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224178062 568908700 /nfs/dbraw/zinc/90/87/00/568908700.db2.gz XVPUCQVBUICMDJ-XZOQPEGZSA-N 0 0 441.516 4.958 40 5 IJBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000006510926 568928446 /nfs/dbraw/zinc/92/84/46/568928446.db2.gz UIJXTLKXRGPKDZ-UHFFFAOYSA-N 0 0 444.447 4.881 40 5 IJBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1[N+](=O)[O-] ZINC000224531881 568937556 /nfs/dbraw/zinc/93/75/56/568937556.db2.gz SCQFJRSIXAZMMH-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1Cl ZINC000017094613 569172508 /nfs/dbraw/zinc/17/25/08/569172508.db2.gz VWPZPZFLNFXNLY-UHFFFAOYSA-N 0 0 425.828 4.761 40 5 IJBBRN CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017095012 569172727 /nfs/dbraw/zinc/17/27/27/569172727.db2.gz HHIWABJYCCEYIY-UHFFFAOYSA-N 0 0 426.542 4.583 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 ZINC000224881228 569190415 /nfs/dbraw/zinc/19/04/15/569190415.db2.gz RWAXFTGLKOFFOP-UHFFFAOYSA-N 0 0 430.258 4.892 40 5 IJBBRN O=C(CNC(=O)c1ccc(Cl)cc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010000434 569220852 /nfs/dbraw/zinc/22/08/52/569220852.db2.gz GKLHAADTIFNQFZ-UHFFFAOYSA-N 0 0 440.839 4.514 40 5 IJBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000035242339 569248560 /nfs/dbraw/zinc/24/85/60/569248560.db2.gz ZJSOMQZBRYPWBT-CYBMUJFWSA-N 0 0 445.932 4.643 40 5 IJBBRN O=C1[C@H]2[C@@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000253616889 569284297 /nfs/dbraw/zinc/28/42/97/569284297.db2.gz OLOATPURPNDQGG-NEWJYFPISA-N 0 0 439.471 4.660 40 5 IJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(Br)ccc3Cl)nc21 ZINC000010010553 569299066 /nfs/dbraw/zinc/29/90/66/569299066.db2.gz SPQNYGUWGZNXSF-UHFFFAOYSA-N 0 0 442.678 4.881 40 5 IJBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)cccc1[N+](=O)[O-] ZINC000329026918 569321987 /nfs/dbraw/zinc/32/19/87/569321987.db2.gz PPKHHHPXQBBSBJ-UHFFFAOYSA-N 0 0 447.417 4.667 40 5 IJBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000021124184 569376949 /nfs/dbraw/zinc/37/69/49/569376949.db2.gz FPRNZHMZJDMTGU-UHFFFAOYSA-N 0 0 429.429 4.577 40 5 IJBBRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000057315629 569430577 /nfs/dbraw/zinc/43/05/77/569430577.db2.gz GRMZKJLYBFUDLK-UHFFFAOYSA-N 0 0 436.287 4.763 40 5 IJBBRN NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 ZINC000057315941 569430842 /nfs/dbraw/zinc/43/08/42/569430842.db2.gz HOJMOUNOQMMUDF-ZRDIBKRKSA-N 0 0 437.477 4.546 40 5 IJBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 ZINC000032118729 569460249 /nfs/dbraw/zinc/46/02/49/569460249.db2.gz MPRNDFRSJLVEDK-UHFFFAOYSA-N 0 0 444.538 4.683 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2O)o1 ZINC000008435602 569464298 /nfs/dbraw/zinc/46/42/98/569464298.db2.gz IRYASUDHAIMEGK-UHFFFAOYSA-N 0 0 436.449 4.543 40 5 IJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1ncnc2sc3c(c21)CCCC3 ZINC000008441354 569464441 /nfs/dbraw/zinc/46/44/41/569464441.db2.gz GPUWSWZQYBWMSQ-GFCCVEGCSA-N 0 0 428.539 4.906 40 5 IJBBRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)c1 ZINC000020795971 524888276 /nfs/dbraw/zinc/88/82/76/524888276.db2.gz SERUULPUSWOVIF-QGZVFWFLSA-N 0 0 445.504 4.546 40 5 IJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000020611839 527263813 /nfs/dbraw/zinc/26/38/13/527263813.db2.gz PBKPQQCRPJIFSH-UHFFFAOYSA-N 0 0 427.844 4.597 40 5 IJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1 ZINC000214652585 556339156 /nfs/dbraw/zinc/33/91/56/556339156.db2.gz LECSCPDTONGLIW-XDHOZWIPSA-N 0 0 449.444 4.530 40 5 IJBBRN Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000408671812 556614531 /nfs/dbraw/zinc/61/45/31/556614531.db2.gz LHVWHJVHLYKYFN-UHFFFAOYSA-N 0 0 435.823 4.610 40 5 IJBBRN O=C(OCCCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004991621 556618036 /nfs/dbraw/zinc/61/80/36/556618036.db2.gz RYQOKGPFXMBCMD-UHFFFAOYSA-N 0 0 444.440 4.857 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cc2ccccc2o1 ZINC000409340567 556637187 /nfs/dbraw/zinc/63/71/87/556637187.db2.gz ZLAZQWPFKMTQAA-UHFFFAOYSA-N 0 0 437.481 4.659 40 5 IJBBRN CCCN1C(=O)S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O ZINC000409341589 556637876 /nfs/dbraw/zinc/63/78/76/556637876.db2.gz FNHFWGSCHAGXID-LICLKQGHSA-N 0 0 429.410 4.742 40 5 IJBBRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408818821 556864839 /nfs/dbraw/zinc/86/48/39/556864839.db2.gz PCHPXFHLJVUSNA-YVLHZVERSA-N 0 0 448.884 4.892 40 5 IJBBRN COc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1O ZINC000408838575 556868120 /nfs/dbraw/zinc/86/81/20/556868120.db2.gz GGRCLDOOGZIPAK-WUXMJOGZSA-N 0 0 430.825 4.522 40 5 IJBBRN CCOc1ccc(NC(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1 ZINC000408997700 556913297 /nfs/dbraw/zinc/91/32/97/556913297.db2.gz SKNCPMJDUQZTGS-UHFFFAOYSA-N 0 0 432.505 4.762 40 5 IJBBRN O=C(Nc1cccc2ccccc21)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409180350 556985513 /nfs/dbraw/zinc/98/55/13/556985513.db2.gz RKPPKEBKAXHXSB-UHFFFAOYSA-N 0 0 432.457 4.833 40 5 IJBBRN O=[N+]([O-])c1cc(Cl)ccc1NCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000101663515 557293486 /nfs/dbraw/zinc/29/34/86/557293486.db2.gz SCWKVGPNBLAEHW-UHFFFAOYSA-N 0 0 449.729 4.607 40 5 IJBBRN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000014270392 557332673 /nfs/dbraw/zinc/33/26/73/557332673.db2.gz BBSXURNFMFNDJA-FPYGCLRLSA-N 0 0 440.706 4.537 40 5 IJBBRN CN1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229155 557343296 /nfs/dbraw/zinc/34/32/96/557343296.db2.gz STCWCXREVUYGLY-UHFFFAOYSA-N 0 0 430.936 4.550 40 5 IJBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408558579 557416739 /nfs/dbraw/zinc/41/67/39/557416739.db2.gz RUCPDWNSIUAEFX-UHFFFAOYSA-N 0 0 441.871 4.886 40 5 IJBBRN O=[N+]([O-])c1ccc(N2N=N[C@H](c3ccccc3)[C@@]2(c2ccccc2)N2CCOCC2)cc1 ZINC000004972181 557420728 /nfs/dbraw/zinc/42/07/28/557420728.db2.gz ONWMVGCMRGVUNF-RPWUZVMVSA-N 0 0 429.480 4.709 40 5 IJBBRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408564115 568619893 /nfs/dbraw/zinc/61/98/93/568619893.db2.gz XXAOQMJMMACDPP-FCQUAONHSA-N 0 0 425.510 4.820 40 5 IJBBRN CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC ZINC000000957911 568646063 /nfs/dbraw/zinc/64/60/63/568646063.db2.gz SSGDGIULPPKILM-VZUCSPMQSA-N 0 0 425.466 4.778 40 5 IJBBRN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000015277410 568752838 /nfs/dbraw/zinc/75/28/38/568752838.db2.gz MKTDLNBUDDLVRX-UHFFFAOYSA-N 0 0 427.416 4.606 40 5 IJBBRN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)cc1C ZINC000032109512 568781216 /nfs/dbraw/zinc/78/12/16/568781216.db2.gz NFYMMPRRXICENK-WQRHYEAKSA-N 0 0 430.507 4.999 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223359031 568818300 /nfs/dbraw/zinc/81/83/00/568818300.db2.gz WVMNISBNGSAAAV-VXKWHMMOSA-N 0 0 445.504 4.546 40 5 IJBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223797588 568877327 /nfs/dbraw/zinc/87/73/27/568877327.db2.gz HMBNRFQSUZNTAN-FQEVSTJZSA-N 0 0 445.947 4.514 40 5 IJBBRN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016384645 568886332 /nfs/dbraw/zinc/88/63/32/568886332.db2.gz LBLQVVGFNNJFPY-UHFFFAOYSA-N 0 0 448.228 4.883 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224178183 568908703 /nfs/dbraw/zinc/90/87/03/568908703.db2.gz QKIZRYZJLPMTLM-DHIUTWEWSA-N 0 0 441.516 4.958 40 5 IJBBRN CC(C)N(Cc1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016575388 568921345 /nfs/dbraw/zinc/92/13/45/568921345.db2.gz CAXYVNLIFSVRCA-UHFFFAOYSA-N 0 0 440.521 4.773 40 5 IJBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC000006501589 568927846 /nfs/dbraw/zinc/92/78/46/568927846.db2.gz RXBZUUCSPHEFLV-UHFFFAOYSA-N 0 0 429.476 4.981 40 5 IJBBRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000017094410 569172392 /nfs/dbraw/zinc/17/23/92/569172392.db2.gz SNDFPRCNLYZQKL-UHFFFAOYSA-N 0 0 425.466 4.811 40 5 IJBBRN Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)cc1I ZINC000017097188 569172507 /nfs/dbraw/zinc/17/25/07/569172507.db2.gz ZRKUGODICIJRCZ-UHFFFAOYSA-N 0 0 430.629 4.722 40 5 IJBBRN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017100215 569173291 /nfs/dbraw/zinc/17/32/91/569173291.db2.gz ZLTVSJMWTFEREQ-UHFFFAOYSA-N 0 0 436.493 4.582 40 5 IJBBRN CCOC(=O)C1=C(C)NC(SC)=N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000108015020 569252052 /nfs/dbraw/zinc/25/20/52/569252052.db2.gz OAVDLWDYUBLTLQ-KRWDZBQOSA-N 0 0 435.889 4.709 40 5 IJBBRN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N32)cc1 ZINC000009319563 569295455 /nfs/dbraw/zinc/29/54/55/569295455.db2.gz RSBJEZXJRKBQLG-RCTAOEEJSA-N 0 0 426.472 4.591 40 5 IJBBRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019631575 569324008 /nfs/dbraw/zinc/32/40/08/569324008.db2.gz IOFSJKWMCDAMCI-QHCPKHFHSA-N 0 0 440.459 4.934 40 5 IJBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000019630635 569324196 /nfs/dbraw/zinc/32/41/96/569324196.db2.gz NEMLOLSIMAHGIF-UHFFFAOYSA-N 0 0 439.855 4.667 40 5 IJBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000020142798 569336000 /nfs/dbraw/zinc/33/60/00/569336000.db2.gz BNCPYIFMFNPJOI-UHFFFAOYSA-N 0 0 435.480 4.898 40 5 IJBBRN COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC(C)C ZINC000225676927 569392729 /nfs/dbraw/zinc/39/27/29/569392729.db2.gz LIVJGQARNSJFEZ-UHFFFAOYSA-N 0 0 426.469 4.619 40 5 IJBBRN Cc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2cc1Cl ZINC000016284270 569584062 /nfs/dbraw/zinc/58/40/62/569584062.db2.gz RMEPFLXAFILXIX-UHFFFAOYSA-N 0 0 441.321 4.947 40 5 IJBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 ZINC000035104007 555773016 /nfs/dbraw/zinc/77/30/16/555773016.db2.gz MITNBDSYTDYMLE-UHFFFAOYSA-N 0 0 442.888 4.538 40 5 IJBBRN CCOc1cc(=O)cc2n(-c3cc(OCC)c(OC)c(OCC)c3)c3ccccc3nc1-2 ZINC000005389823 556049538 /nfs/dbraw/zinc/04/95/38/556049538.db2.gz OEXKWLCNVSZJHX-UHFFFAOYSA-N 0 0 434.492 4.695 40 5 IJBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccccc1 ZINC000214699945 556340677 /nfs/dbraw/zinc/34/06/77/556340677.db2.gz TYZQZJFAZBFXDZ-XDHOZWIPSA-N 0 0 449.444 4.530 40 5 IJBBRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408655279 556613652 /nfs/dbraw/zinc/61/36/52/556613652.db2.gz GVPLVHYLLUFQPY-GOSISDBHSA-N 0 0 444.487 4.879 40 5 IJBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409179494 556632523 /nfs/dbraw/zinc/63/25/23/556632523.db2.gz RSJJFTIISCONHI-UHFFFAOYSA-N 0 0 439.336 4.561 40 5 IJBBRN O=C(Nc1cccc2ccccc21)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409181884 556633396 /nfs/dbraw/zinc/63/33/96/556633396.db2.gz GLWYTEGAUZQMLU-UHFFFAOYSA-N 0 0 432.457 4.833 40 5 IJBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409212835 556634665 /nfs/dbraw/zinc/63/46/65/556634665.db2.gz QYPUKZLYPINKLD-HVOBPNNYSA-N 0 0 444.465 4.541 40 5 IJBBRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001986262 556798436 /nfs/dbraw/zinc/79/84/36/556798436.db2.gz BTPKBZZZEQGDHW-UHFFFAOYSA-N 0 0 441.421 4.661 40 5 IJBBRN Cc1cc2c(nc3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n23)c(C)c1 ZINC000408844488 556868403 /nfs/dbraw/zinc/86/84/03/556868403.db2.gz TWABHKNZXWAXPK-NHDPSOOVSA-N 0 0 445.500 4.859 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1 ZINC000408908683 556887121 /nfs/dbraw/zinc/88/71/21/556887121.db2.gz XUNYRDXJZBQSHS-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000409221625 557017120 /nfs/dbraw/zinc/01/71/20/557017120.db2.gz TZBKFTULBVNWLW-OEAKJJBVSA-N 0 0 443.459 4.575 40 5 IJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409245595 557027289 /nfs/dbraw/zinc/02/72/89/557027289.db2.gz WHSDDEQFUSPODV-HYARGMPZSA-N 0 0 443.459 4.575 40 5 IJBBRN CC[C@H](C)Oc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409358097 557085009 /nfs/dbraw/zinc/08/50/09/557085009.db2.gz KHOKGLSJPYJVMV-GQFJFNLSSA-N 0 0 440.477 4.691 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccccc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409360844 557086853 /nfs/dbraw/zinc/08/68/53/557086853.db2.gz QGNQUCDDTPKTLQ-NDENLUEZSA-N 0 0 434.429 4.774 40 5 IJBBRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C)c1I ZINC000057313000 557238665 /nfs/dbraw/zinc/23/86/65/557238665.db2.gz PMQUTLUBHLJFSR-UHFFFAOYSA-N 0 0 430.629 4.722 40 5 IJBBRN COc1c(Br)cc(Br)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000014272969 557332403 /nfs/dbraw/zinc/33/24/03/557332403.db2.gz OGRQSDIOBJIJFC-UHFFFAOYSA-N 0 0 444.079 4.689 40 5 IJBBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3[C@H](c4ccccn4)N=C4SCCN43)cc2)cc1 ZINC000209940941 557338661 /nfs/dbraw/zinc/33/86/61/557338661.db2.gz VLTYGZMLUQSMAK-VXKWHMMOSA-N 0 0 432.505 4.770 40 5 IJBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl ZINC000072229370 557343527 /nfs/dbraw/zinc/34/35/27/557343527.db2.gz AAHOBJNYXOQJOA-UHFFFAOYSA-N 0 0 430.675 4.644 40 5 IJBBRN CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 ZINC000408559689 557416692 /nfs/dbraw/zinc/41/66/92/557416692.db2.gz BDLYTCGCWBXTAV-GYHWCHFESA-N 0 0 443.500 4.986 40 5 IJBBRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000408564146 557418036 /nfs/dbraw/zinc/41/80/36/557418036.db2.gz SADBPSMLXBUKTI-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408609910 557421622 /nfs/dbraw/zinc/42/16/22/557421622.db2.gz PJLRYMBJEYFXBB-UHFFFAOYSA-N 0 0 441.871 4.886 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223358970 568818266 /nfs/dbraw/zinc/81/82/66/568818266.db2.gz WVMNISBNGSAAAV-FCHUYYIVSA-N 0 0 445.504 4.546 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224178341 568908673 /nfs/dbraw/zinc/90/86/73/568908673.db2.gz QKIZRYZJLPMTLM-GOTSBHOMSA-N 0 0 441.516 4.958 40 5 IJBBRN COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000006924935 569109399 /nfs/dbraw/zinc/10/93/99/569109399.db2.gz SEVFJMYFKIJJJA-JOCHJYFZSA-N 0 0 446.419 4.503 40 5 IJBBRN CCOC(=O)c1sc(N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc(OC)cc2)nc1C ZINC000016778842 569161884 /nfs/dbraw/zinc/16/18/84/569161884.db2.gz CXMYJGYGPPHLKG-UHFFFAOYSA-N 0 0 441.465 4.524 40 5 IJBBRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000017094599 569172402 /nfs/dbraw/zinc/17/24/02/569172402.db2.gz PRVYRHYHSFKMBF-ZZXKWVIFSA-N 0 0 425.666 4.980 40 5 IJBBRN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] ZINC000017101726 569173577 /nfs/dbraw/zinc/17/35/77/569173577.db2.gz SOSDIJWICASRBD-UHFFFAOYSA-N 0 0 437.843 4.633 40 5 IJBBRN CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224754273 569185196 /nfs/dbraw/zinc/18/51/96/569185196.db2.gz IBCGYNHROHASLF-UHFFFAOYSA-N 0 0 426.538 4.888 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000214948412 569204371 /nfs/dbraw/zinc/20/43/71/569204371.db2.gz IVMJENROAQZNHG-CXUHLZMHSA-N 0 0 449.282 4.602 40 5 IJBBRN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000009062422 569219614 /nfs/dbraw/zinc/21/96/14/569219614.db2.gz OAPGCUHFANTADQ-UHFFFAOYSA-N 0 0 449.448 4.519 40 5 IJBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010475557 569224311 /nfs/dbraw/zinc/22/43/11/569224311.db2.gz YVQQAGQWHITWAG-UHFFFAOYSA-N 0 0 425.253 4.682 40 5 IJBBRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000033396898 569243914 /nfs/dbraw/zinc/24/39/14/569243914.db2.gz YFZJKSRNKRSHCY-UHFFFAOYSA-N 0 0 425.466 4.811 40 5 IJBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)c([N+](=O)[O-])c1 ZINC000009199638 569294242 /nfs/dbraw/zinc/29/42/42/569294242.db2.gz RGMDNWVJAZLFBJ-UHFFFAOYSA-N 0 0 425.514 4.717 40 5 IJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3c(C)cc(Cl)cc3Cl)nc21 ZINC000010010674 569299070 /nfs/dbraw/zinc/29/90/70/569299070.db2.gz HYJKMTXTWHBHIN-UHFFFAOYSA-N 0 0 442.280 4.846 40 5 IJBBRN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC(C)(C)C)cc1 ZINC000013304881 569312910 /nfs/dbraw/zinc/31/29/10/569312910.db2.gz VGRSGUHZFJTLGV-QNGOZBTKSA-N 0 0 447.491 4.849 40 5 IJBBRN CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1[N+](=O)[O-] ZINC000021580386 569390811 /nfs/dbraw/zinc/39/08/11/569390811.db2.gz KXOGIZDNGWPSOE-UHFFFAOYSA-N 0 0 432.436 4.798 40 5 IJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225589094 569404885 /nfs/dbraw/zinc/40/48/85/569404885.db2.gz CXSBHRRNSZVOHU-JXFKEZNVSA-N 0 0 445.947 4.513 40 5 IJBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225616966 569405791 /nfs/dbraw/zinc/40/57/91/569405791.db2.gz KWZIYTVFGMPJIE-JXFKEZNVSA-N 0 0 445.947 4.513 40 5 IJBBRN NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)scc1-c1ccc(Cl)cc1 ZINC000002763035 569420486 /nfs/dbraw/zinc/42/04/86/569420486.db2.gz MMWAMTPYZRTSGW-UHFFFAOYSA-N 0 0 436.276 4.981 40 5 IJBBRN Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2n1 ZINC000057315879 569430716 /nfs/dbraw/zinc/43/07/16/569430716.db2.gz CFHLCRGMLQAFOR-UHFFFAOYSA-N 0 0 449.536 4.569 40 5 IJBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 ZINC000059433438 569461392 /nfs/dbraw/zinc/46/13/92/569461392.db2.gz UCVWPAVELXJTSG-ZOVQAKDCSA-N 0 0 438.483 4.864 40 5 IJBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc3ccccc31)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000059503350 569461710 /nfs/dbraw/zinc/46/17/10/569461710.db2.gz SCQUEJIIISJNOO-IOXNAGQWSA-N 0 0 446.462 4.625 40 5 IJBBRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000021005576 520543041 /nfs/dbraw/zinc/54/30/41/520543041.db2.gz KKDCLGDPFWQVPJ-QHCPKHFHSA-N 0 0 440.459 4.934 40 5 IJBBRN COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1-c1ccc(CO)o1 ZINC000020140552 522723699 /nfs/dbraw/zinc/72/36/99/522723699.db2.gz WHUBZVSMJGIUAX-UHFFFAOYSA-N 0 0 434.404 4.868 40 5 IJBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000020610784 523350102 /nfs/dbraw/zinc/35/01/02/523350102.db2.gz BVQRNOUUJYEELW-UHFFFAOYSA-N 0 0 437.843 4.551 40 5 IJBBRN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000020610549 523754867 /nfs/dbraw/zinc/75/48/67/523754867.db2.gz WAAFGDZVSKCLJF-UHFFFAOYSA-N 0 0 431.452 4.713 40 5 IJBBRN Cc1cccc(C2=N/C(=C/c3cc([N+](=O)[O-])ccc3OCc3ccccc3F)C(=O)O2)c1 ZINC000041108839 524333656 /nfs/dbraw/zinc/33/36/56/524333656.db2.gz RXLZEZXGLWGGMP-FYJGNVAPSA-N 0 0 432.407 4.966 40 5 IJBBRN C[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000012285487 525697059 /nfs/dbraw/zinc/69/70/59/525697059.db2.gz BKGQDHJNBGUGPK-FBLWNCGMSA-N 0 0 429.395 4.654 40 5 IJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000408695092 556097134 /nfs/dbraw/zinc/09/71/34/556097134.db2.gz OUAYSVMLFAOEDA-UHFFFAOYSA-N 0 0 437.818 4.887 40 5 IJBBRN Cc1ccc(-c2noc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 ZINC000408674797 556615150 /nfs/dbraw/zinc/61/51/50/556615150.db2.gz HTUOAAJNWGBABA-UHFFFAOYSA-N 0 0 434.271 4.691 40 5 IJBBRN COc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408696307 556615693 /nfs/dbraw/zinc/61/56/93/556615693.db2.gz ZNLAZJRUALLZEW-UHFFFAOYSA-N 0 0 449.854 4.757 40 5 IJBBRN C=Cc1cc(I)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000408738373 556618923 /nfs/dbraw/zinc/61/89/23/556618923.db2.gz WBCNSTNWGPQRRT-UHFFFAOYSA-N 0 0 442.165 4.552 40 5 IJBBRN Cc1cc(C)cc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 ZINC000408736694 556618948 /nfs/dbraw/zinc/61/89/48/556618948.db2.gz FQGXGUUXGFTOMI-QHCPKHFHSA-N 0 0 447.491 4.688 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409173564 556632458 /nfs/dbraw/zinc/63/24/58/556632458.db2.gz LXJNCIYNBGSBEW-GZTJUZNOSA-N 0 0 439.811 4.614 40 5 IJBBRN O=C1NC(=Cc2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409242357 556635726 /nfs/dbraw/zinc/63/57/26/556635726.db2.gz RFHQYNWTMMXDMQ-DEDYPNTBSA-N 0 0 449.850 4.925 40 5 IJBBRN COC(=O)c1c(C)n(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c2ccccc21 ZINC000226769123 556685429 /nfs/dbraw/zinc/68/54/29/556685429.db2.gz UMMGDGLYXCASRB-UHFFFAOYSA-N 0 0 434.404 4.602 40 5 IJBBRN O=C(Oc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000013590214 556700515 /nfs/dbraw/zinc/70/05/15/556700515.db2.gz SEBHKVSQVHUSHV-UDWIEESQSA-N 0 0 448.818 4.812 40 5 IJBBRN COc1ccc2nc3sc4c(ncnc4SCC(=O)NCc4ccccc4)c3cc2c1 ZINC000001327811 556773469 /nfs/dbraw/zinc/77/34/69/556773469.db2.gz CUSFQLHIFBONLM-UHFFFAOYSA-N 0 0 446.557 4.810 40 5 IJBBRN CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O ZINC000408818776 556864809 /nfs/dbraw/zinc/86/48/09/556864809.db2.gz YWBAMBAEZVZBGM-SXGWCWSVSA-N 0 0 449.282 4.602 40 5 IJBBRN O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000408920410 556890744 /nfs/dbraw/zinc/89/07/44/556890744.db2.gz GNZHHIFWABSZPS-HKOYGPOVSA-N 0 0 431.467 4.623 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2c2ccccc21 ZINC000408918351 556891199 /nfs/dbraw/zinc/89/11/99/556891199.db2.gz JLFBKHVVHCZBJU-NFJKTXFASA-N 0 0 444.874 4.650 40 5 IJBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)C1 ZINC000408974736 556905442 /nfs/dbraw/zinc/90/54/42/556905442.db2.gz CWFNQDSESXMKBM-KRWDZBQOSA-N 0 0 446.576 4.718 40 5 IJBBRN O=C(CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccccc1F ZINC000409217291 557012064 /nfs/dbraw/zinc/01/20/64/557012064.db2.gz OSEZAYJSBHWCDF-OEAKJJBVSA-N 0 0 439.446 4.664 40 5 IJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cc2ccccc2o1 ZINC000409327524 557062010 /nfs/dbraw/zinc/06/20/10/557062010.db2.gz KOXREDCUEAORCP-UHFFFAOYSA-N 0 0 437.481 4.659 40 5 IJBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057333603 557241989 /nfs/dbraw/zinc/24/19/89/557241989.db2.gz FHGMGSCOEHRZLW-UXBLZVDNSA-N 0 0 434.839 4.781 40 5 IJBBRN Cc1nc2ccccc2c2c(NC(=O)CCn3cnc4ccccc4c3=O)c3ccccc3n21 ZINC000014682944 557369149 /nfs/dbraw/zinc/36/91/49/557369149.db2.gz ASYMEPIJICXDMA-UHFFFAOYSA-N 0 0 447.498 4.688 40 5 IJBBRN C/C(=C\c1cc(Br)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000408534852 557415573 /nfs/dbraw/zinc/41/55/73/557415573.db2.gz MRENOWURRCEOAB-LRELXJSQSA-N 0 0 433.214 4.614 40 5 IJBBRN COc1cc(NC(=O)CSc2nc(C)cc(-c3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-] ZINC000408554753 557416506 /nfs/dbraw/zinc/41/65/06/557416506.db2.gz UEUFAEMKNXJLTN-UHFFFAOYSA-N 0 0 444.900 4.753 40 5 IJBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC ZINC000408607265 557421306 /nfs/dbraw/zinc/42/13/06/557421306.db2.gz KJMBMWZNQGSFJO-UHFFFAOYSA-N 0 0 442.253 4.609 40 5 IJBBRN COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000014270621 557429918 /nfs/dbraw/zinc/42/99/18/557429918.db2.gz IXFIKIHONFPVID-UHFFFAOYSA-N 0 0 448.460 4.538 40 5 IJBBRN Cc1cc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000024522253 557439477 /nfs/dbraw/zinc/43/94/77/557439477.db2.gz FVFNWZXGKQGANT-UHFFFAOYSA-N 0 0 431.853 4.609 40 5 IJBBRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C ZINC000014405411 557443321 /nfs/dbraw/zinc/44/33/21/557443321.db2.gz VBSRURRSDAEOML-UHFFFAOYSA-N 0 0 435.484 4.713 40 5 IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 ZINC000260778522 557855374 /nfs/dbraw/zinc/85/53/74/557855374.db2.gz RPFGMBYKVVQZPW-OBVPDXSSSA-N 0 0 436.493 4.848 40 5 IJBBRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000034966001 568622770 /nfs/dbraw/zinc/62/27/70/568622770.db2.gz PDURPYDSCGCTNP-NSHDSACASA-N 0 0 436.331 4.998 40 5 IJBBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000222897338 568736787 /nfs/dbraw/zinc/73/67/87/568736787.db2.gz MKXCPEITEIBVJI-NHCUHLMSSA-N 0 0 438.509 4.641 40 5 IJBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1nnc(SCc2ccccc2)s1 ZINC000223714091 568876721 /nfs/dbraw/zinc/87/67/21/568876721.db2.gz YKMDWRNWFIUYPV-UHFFFAOYSA-N 0 0 432.552 4.611 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl ZINC000224527397 568937111 /nfs/dbraw/zinc/93/71/11/568937111.db2.gz WTRGXKXWQGBNRG-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1C ZINC000017099545 569173820 /nfs/dbraw/zinc/17/38/20/569173820.db2.gz MAUNEPLAOHUXKP-UHFFFAOYSA-N 0 0 435.505 4.917 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 ZINC000225024683 569213759 /nfs/dbraw/zinc/21/37/59/569213759.db2.gz GDWYLLMUDJENMC-YADHBBJMSA-N 0 0 433.537 4.696 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1C ZINC000015529265 569225561 /nfs/dbraw/zinc/22/55/61/569225561.db2.gz LYPVPAHDGPRWPV-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000033698575 569245841 /nfs/dbraw/zinc/24/58/41/569245841.db2.gz MIJMIPPHMREABD-YCIYHOANSA-N 0 0 444.874 4.819 40 5 IJBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000107851949 569251455 /nfs/dbraw/zinc/25/14/55/569251455.db2.gz ZWDJMMAVPPZSBI-UHFFFAOYSA-N 0 0 431.857 4.644 40 5 IJBBRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000013424516 569316085 /nfs/dbraw/zinc/31/60/85/569316085.db2.gz QQAZXGQTUWEWKV-UHFFFAOYSA-N 0 0 445.504 4.632 40 5 IJBBRN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000019629628 569324033 /nfs/dbraw/zinc/32/40/33/569324033.db2.gz RXLIQKFNGJEBFR-UHFFFAOYSA-N 0 0 439.493 4.985 40 5 IJBBRN Cc1cc2ccccc2c(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c1 ZINC000020356944 569361122 /nfs/dbraw/zinc/36/11/22/569361122.db2.gz KSYNRDYOFXFELM-UHFFFAOYSA-N 0 0 444.535 4.619 40 5 IJBBRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000021596017 569391913 /nfs/dbraw/zinc/39/19/13/569391913.db2.gz FGVHJYDEGFUGRD-UHFFFAOYSA-N 0 0 432.461 4.838 40 5 IJBBRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000003191623 569441443 /nfs/dbraw/zinc/44/14/43/569441443.db2.gz ZDRCZZMNUUCVJQ-UHFFFAOYSA-N 0 0 448.151 4.845 40 5 IJBBRN O=C(O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000031715990 569457049 /nfs/dbraw/zinc/45/70/49/569457049.db2.gz XNGAEWBIGCGDAO-DNQXCXABSA-N 0 0 432.476 4.566 40 5 IJBBRN Cc1ccc(Sc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-])cc1 ZINC000032124880 569460302 /nfs/dbraw/zinc/46/03/02/569460302.db2.gz CVCLZDYNZFSRNT-BKUYFWCQSA-N 0 0 445.525 4.825 40 5 IJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 ZINC000059433440 569461427 /nfs/dbraw/zinc/46/14/27/569461427.db2.gz UCVWPAVELXJTSG-ZCOIRKDISA-N 0 0 438.483 4.864 40 5 IJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038856362 569469291 /nfs/dbraw/zinc/46/92/91/569469291.db2.gz KLSXTAGJGFBWIE-UHFFFAOYSA-N 0 0 438.311 4.761 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038859717 569469303 /nfs/dbraw/zinc/46/93/03/569469303.db2.gz SFFJWXFVGYVVCF-UHFFFAOYSA-N 0 0 432.318 4.516 40 5 IJBBRN CC(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329014342 569583132 /nfs/dbraw/zinc/58/31/32/569583132.db2.gz MUSJOLFWKHJLNQ-UHFFFAOYSA-N 0 0 433.390 5.514 40 5 IJBBRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000016284284 569584074 /nfs/dbraw/zinc/58/40/74/569584074.db2.gz GCXFZBIVJKNOMJ-UHFFFAOYSA-N 0 0 441.321 4.947 40 5 IJBBRN O=[N+]([O-])c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc1 ZINC000329001508 569584234 /nfs/dbraw/zinc/58/42/34/569584234.db2.gz KEZMYZQSJLIRMG-UHFFFAOYSA-N 0 0 431.374 5.268 40 5 IJBBRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)c1 ZINC000020796070 524888297 /nfs/dbraw/zinc/88/82/97/524888297.db2.gz UUBFQOANSXYGIH-QGZVFWFLSA-N 0 0 445.504 4.546 40 5 IJBBRN Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 ZINC000016292913 524982195 /nfs/dbraw/zinc/98/21/95/524982195.db2.gz IBXZIIJLYPAIDE-IBGZPJMESA-N 0 0 446.459 4.792 40 5 IJBBRN Cc1ccc(-c2nn(CC(=O)Nc3ccccc3[N+](=O)[O-])c(=S)n2-c2ccccc2)cc1 ZINC000016769696 525840927 /nfs/dbraw/zinc/84/09/27/525840927.db2.gz VVFJRLGQIMVHTB-UHFFFAOYSA-N 0 0 445.504 4.926 40 5 IJBBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409357916 556638165 /nfs/dbraw/zinc/63/81/65/556638165.db2.gz KOVLXCWCZIIMRS-XDHOZWIPSA-N 0 0 428.466 4.629 40 5 IJBBRN Cn1cc(-c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cn1 ZINC000013643944 556660526 /nfs/dbraw/zinc/66/05/26/556660526.db2.gz GDANADZUUNUCCO-UHFFFAOYSA-N 0 0 433.447 4.892 40 5 IJBBRN O=C1NC(=O)C(=Cc2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)S1 ZINC000408821380 556866182 /nfs/dbraw/zinc/86/61/82/556866182.db2.gz GWULSFTWPJYXQA-WZUFQYTHSA-N 0 0 429.635 4.595 40 5 IJBBRN COc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1O ZINC000408837954 556868075 /nfs/dbraw/zinc/86/80/75/556868075.db2.gz AXMNDZIBVUAXHU-WUXMJOGZSA-N 0 0 430.825 4.522 40 5 IJBBRN O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408845125 556868654 /nfs/dbraw/zinc/86/86/54/556868654.db2.gz ORMADQNMEDWSEV-KPKJPENVSA-N 0 0 429.797 4.716 40 5 IJBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409195493 556993914 /nfs/dbraw/zinc/99/39/14/556993914.db2.gz PZHKSNBZANSVSG-UHFFFAOYSA-N 0 0 434.492 4.858 40 5 IJBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O ZINC000409202970 557001835 /nfs/dbraw/zinc/00/18/35/557001835.db2.gz UNPJGWYJRVAJKA-WOJGMQOQSA-N 0 0 444.465 4.543 40 5 IJBBRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2 ZINC000409355113 557081442 /nfs/dbraw/zinc/08/14/42/557081442.db2.gz BNIYEYUZFRGUBR-WTANOLMUSA-N 0 0 427.423 4.510 40 5 IJBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C)c1 ZINC000408545436 557415863 /nfs/dbraw/zinc/41/58/63/557415863.db2.gz YSBOEQKIRGTPCM-LUAWRHEFSA-N 0 0 437.452 4.786 40 5 IJBBRN O=C(Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1 ZINC000408666917 557426367 /nfs/dbraw/zinc/42/63/67/557426367.db2.gz AHVVCZIPJQYOCZ-UHFFFAOYSA-N 0 0 440.253 4.862 40 5 IJBBRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000014269905 557429221 /nfs/dbraw/zinc/42/92/21/557429221.db2.gz JSDNXFFALIPCDU-AWEZNQCLSA-N 0 0 442.541 4.541 40 5 IJBBRN O=C1NC(=S)NC1=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000001220700 562920966 /nfs/dbraw/zinc/92/09/66/562920966.db2.gz IGWNLLMCDZHXFC-IZZDOVSWSA-N 0 0 443.790 4.816 40 5 aggregator IJBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222851660 568735699 /nfs/dbraw/zinc/73/56/99/568735699.db2.gz SYBHXKUOADQRRI-RTWAWAEBSA-N 0 0 438.509 4.639 40 5 IJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223317721 568795562 /nfs/dbraw/zinc/79/55/62/568795562.db2.gz QCJBNWZMOMMQIH-IBGZPJMESA-N 0 0 445.947 4.513 40 5 IJBBRN COc1ccc([C@H]2CCCCC[C@@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000001706542 568879945 /nfs/dbraw/zinc/87/99/45/568879945.db2.gz MAFBUJOWFLDDIH-MJGOQNOKSA-N 0 0 429.469 4.894 40 5 IJBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224052733 568889447 /nfs/dbraw/zinc/88/94/47/568889447.db2.gz PKEUJOQVASMDDV-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Cl ZINC000016609937 568925538 /nfs/dbraw/zinc/92/55/38/568925538.db2.gz ICYAWSOTSWXYBA-UHFFFAOYSA-N 0 0 426.654 4.612 40 5 IJBBRN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017095631 569172386 /nfs/dbraw/zinc/17/23/86/569172386.db2.gz RSDUIIMXNNBOBH-UHFFFAOYSA-N 0 0 427.844 4.597 40 5 IJBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)c(Cl)c1 ZINC000017095285 569172830 /nfs/dbraw/zinc/17/28/30/569172830.db2.gz KQIQOIWURXUTSO-UHFFFAOYSA-N 0 0 427.294 4.638 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017103105 569173927 /nfs/dbraw/zinc/17/39/27/569173927.db2.gz OEOCRRFORNMIGM-UHFFFAOYSA-N 0 0 439.324 4.629 40 5 IJBBRN CC(C)(C)c1cc(C(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1 ZINC000006305167 569218517 /nfs/dbraw/zinc/21/85/17/569218517.db2.gz DPYICQJNWFXNCL-UHFFFAOYSA-N 0 0 426.513 4.663 40 5 IJBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2C)cc1 ZINC000010315285 569222710 /nfs/dbraw/zinc/22/27/10/569222710.db2.gz WZVKIMSGBZZNKJ-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033396823 569243884 /nfs/dbraw/zinc/24/38/84/569243884.db2.gz WKAJIIQKMWYZRB-UHFFFAOYSA-N 0 0 446.828 4.543 40 5 IJBBRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000033608792 569244988 /nfs/dbraw/zinc/24/49/88/569244988.db2.gz HFYLTDJVFAGOTJ-UHFFFAOYSA-N 0 0 438.509 4.828 40 5 IJBBRN Cc1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc(SCc2ccccc2)n1 ZINC000013401539 569315368 /nfs/dbraw/zinc/31/53/68/569315368.db2.gz TUXRLOLBCZKKDA-UHFFFAOYSA-N 0 0 426.523 4.716 40 5 IJBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1OC ZINC000020411973 569363816 /nfs/dbraw/zinc/36/38/16/569363816.db2.gz PLTHQJSEAHNVRK-UHFFFAOYSA-N 0 0 433.420 4.981 40 5 IJBBRN O=[N+]([O-])c1ccc(Cc2nnn(-c3ccc([N+](=O)[O-])cc3)c2-c2ccc(Cl)cc2)cc1 ZINC000096306200 569392200 /nfs/dbraw/zinc/39/22/00/569392200.db2.gz AHDBYJUBLUBWBT-UHFFFAOYSA-N 0 0 435.827 4.995 40 5 IJBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000216034835 569423751 /nfs/dbraw/zinc/42/37/51/569423751.db2.gz RXFXIBSDSZVXHU-UHFFFAOYSA-N 0 0 448.888 4.558 40 5 IJBBRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)NC(=S)N1 ZINC000408604375 193973799 /nfs/dbraw/zinc/97/37/99/193973799.db2.gz IKMZBZFRJMGVAI-SFHVURJKSA-N 0 0 449.916 4.644 40 5 IJBBRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000020610830 523350868 /nfs/dbraw/zinc/35/08/68/523350868.db2.gz SLKOIYMEKYCVGH-BJMVGYQFSA-N 0 0 449.854 4.643 40 5 IJBBRN COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2n1 ZINC000005881948 556068382 /nfs/dbraw/zinc/06/83/82/556068382.db2.gz GBMSCNJGXUBIFL-UHFFFAOYSA-N 0 0 428.901 4.560 40 5 IJBBRN Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408682859 556616298 /nfs/dbraw/zinc/61/62/98/556616298.db2.gz KBEZMKFKSMAWDB-UHFFFAOYSA-N 0 0 446.290 4.981 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000408736583 556619216 /nfs/dbraw/zinc/61/92/16/556619216.db2.gz CZVYZPWFSQLMAW-DEOSSOPVSA-N 0 0 445.519 4.815 40 5 IJBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408908772 556623258 /nfs/dbraw/zinc/62/32/58/556623258.db2.gz YQUZLRTUYLEURK-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1Cl ZINC000409163020 556631921 /nfs/dbraw/zinc/63/19/21/556631921.db2.gz KTGAIPWNMVUIMX-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000409177549 556632517 /nfs/dbraw/zinc/63/25/17/556632517.db2.gz BZLUYGHHNLZCRX-FQEVSTJZSA-N 0 0 440.795 4.937 40 5 IJBBRN CCC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178767 556633007 /nfs/dbraw/zinc/63/30/07/556633007.db2.gz OLINTASWWDXUBU-QHCPKHFHSA-N 0 0 432.432 4.724 40 5 IJBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409174703 556633058 /nfs/dbraw/zinc/63/30/58/556633058.db2.gz UGBTYQBZTDZMAM-UHFFFAOYSA-N 0 0 439.336 4.561 40 5 IJBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1-c1ccccc1 ZINC000040398722 556640634 /nfs/dbraw/zinc/64/06/34/556640634.db2.gz AOMGOJWAFSYYRM-UHFFFAOYSA-N 0 0 434.282 4.997 40 5 IJBBRN COc1cc2nc3ccc(NC(=S)N4CC[C@@H](c5ccccc5)C4)cc3nc2cc1OC ZINC000409002579 556914729 /nfs/dbraw/zinc/91/47/29/556914729.db2.gz VFTMEJRSAXIHPV-QGZVFWFLSA-N 0 0 444.560 4.987 40 5 IJBBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)N(C)C2=S)cc1 ZINC000409043225 556929806 /nfs/dbraw/zinc/92/98/06/556929806.db2.gz YJGIDDWXPGFLRN-ZHZULCJRSA-N 0 0 449.488 4.858 40 5 IJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 ZINC000409177962 556986605 /nfs/dbraw/zinc/98/66/05/556986605.db2.gz FJUHUSUCBSXREL-GOSISDBHSA-N 0 0 430.210 4.731 40 5 IJBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409180480 556989183 /nfs/dbraw/zinc/98/91/83/556989183.db2.gz UDSHCDBCMMAWTC-UHFFFAOYSA-N 0 0 439.336 4.561 40 5 IJBBRN O=C(Oc1ccc2ccccc2c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409181330 556989603 /nfs/dbraw/zinc/98/96/03/556989603.db2.gz BBEGFMJWQBKYHG-UHFFFAOYSA-N 0 0 433.441 4.800 40 5 IJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 ZINC000409248749 557029542 /nfs/dbraw/zinc/02/95/42/557029542.db2.gz IKYZRJIAMKLKLE-YBFXNURJSA-N 0 0 437.839 4.910 40 5 IJBBRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 ZINC000409340703 557068417 /nfs/dbraw/zinc/06/84/17/557068417.db2.gz ARDILAIUEPULBR-MFOYZWKCSA-N 0 0 445.884 4.540 40 5 IJBBRN CCN1CCN(c2cc(NC(=O)c3ccc(C(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229157 557343269 /nfs/dbraw/zinc/34/32/69/557343269.db2.gz XBPIAMLGPGTTHY-UHFFFAOYSA-N 0 0 430.936 4.766 40 5 IJBBRN COc1cccc(/C=C\c2onc(C)c2[N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408542451 557416143 /nfs/dbraw/zinc/41/61/43/557416143.db2.gz JNEQZATXPHMTOA-VURMDHGXSA-N 0 0 442.340 4.679 40 5 IJBBRN CSc1nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c(N2CCCCC2)n1 ZINC000408624279 557422529 /nfs/dbraw/zinc/42/25/29/557422529.db2.gz VIMLRVRNKFESTM-UHFFFAOYSA-N 0 0 429.527 4.564 40 5 IJBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)c(Cl)c1 ZINC000014270383 557429762 /nfs/dbraw/zinc/42/97/62/557429762.db2.gz QWCIDBLGBVXKAS-UHFFFAOYSA-N 0 0 449.113 4.791 40 5 IJBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718454 557440471 /nfs/dbraw/zinc/44/04/71/557440471.db2.gz ZVJTWYXYGJFHIS-VIFPVBQESA-N 0 0 428.659 4.547 40 5 IJBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1[N+](=O)[O-] ZINC000108240213 557542457 /nfs/dbraw/zinc/54/24/57/557542457.db2.gz PFADXRRIBDXXHI-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN CCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(OCC)cc1NC(=O)CC(C)C ZINC000001324472 562921161 /nfs/dbraw/zinc/92/11/61/562921161.db2.gz RIMIDBJSBWSLIR-UHFFFAOYSA-N 0 0 429.473 4.629 40 5 IJBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223363191 568819682 /nfs/dbraw/zinc/81/96/82/568819682.db2.gz HFRSJXUWMUGOQY-IBGZPJMESA-N 0 0 445.947 4.513 40 5 IJBBRN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 ZINC000169306031 568931540 /nfs/dbraw/zinc/93/15/40/568931540.db2.gz PGMOKPXIUVCHPT-ZKGSSEMHSA-N 0 0 426.472 4.591 40 5 IJBBRN O=C(Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000017096853 569172840 /nfs/dbraw/zinc/17/28/40/569172840.db2.gz VQBVOYHIMCHUPD-UHFFFAOYSA-N 0 0 430.464 4.700 40 5 IJBBRN Cc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl ZINC000017098226 569173730 /nfs/dbraw/zinc/17/37/30/569173730.db2.gz FUPUJEDAUXBZEB-UHFFFAOYSA-N 0 0 432.914 4.807 40 5 IJBBRN CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224630824 569177120 /nfs/dbraw/zinc/17/71/20/569177120.db2.gz KDPSLUNRKCWRMX-UHFFFAOYSA-N 0 0 439.704 4.779 40 5 IJBBRN O=[N+]([O-])c1ccc2oc(-c3cc(I)ccc3Br)nc2c1 ZINC000226248731 569178015 /nfs/dbraw/zinc/17/80/15/569178015.db2.gz MMXHZCWNQQKYFB-UHFFFAOYSA-N 0 0 445.010 4.770 40 5 IJBBRN CCc1ccc(NC(=O)COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2OC)cc1 ZINC000035155638 569248374 /nfs/dbraw/zinc/24/83/74/569248374.db2.gz VQQSNZTZLYRMSS-XYOKQWHBSA-N 0 0 437.452 4.650 40 5 IJBBRN S=C(NCc1ccco1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000104541354 569250248 /nfs/dbraw/zinc/25/02/48/569250248.db2.gz LSUPVNSHIQREIL-UHFFFAOYSA-N 0 0 436.500 4.959 40 5 IJBBRN O=C(Nc1nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1)c1ccco1 ZINC000008902734 569292196 /nfs/dbraw/zinc/29/21/96/569292196.db2.gz FISSUAOJEBKBKM-UHFFFAOYSA-N 0 0 442.840 4.956 40 5 IJBBRN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3O)oc2c1 ZINC000009064856 569293433 /nfs/dbraw/zinc/29/34/33/569293433.db2.gz LDQKMNHWPDBLCR-UHFFFAOYSA-N 0 0 448.460 4.544 40 5 IJBBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N32)cc1 ZINC000009319565 569295464 /nfs/dbraw/zinc/29/54/64/569295464.db2.gz RSBJEZXJRKBQLG-ZFFYZDHPSA-N 0 0 426.472 4.591 40 5 IJBBRN COc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1[N+](=O)[O-] ZINC000010120366 569299378 /nfs/dbraw/zinc/29/93/78/569299378.db2.gz DSCUNZPSUNVISE-UHFFFAOYSA-N 0 0 431.448 4.958 40 5 IJBBRN COc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000012062443 569303731 /nfs/dbraw/zinc/30/37/31/569303731.db2.gz RSBJEZXJRKBQLG-OJJQZRKESA-N 0 0 426.472 4.591 40 5 IJBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])o2)c1 ZINC000019928350 569332033 /nfs/dbraw/zinc/33/20/33/569332033.db2.gz ZYGIRKYHNWEEHW-UHFFFAOYSA-N 0 0 442.497 4.521 40 5 IJBBRN O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000225563128 569404463 /nfs/dbraw/zinc/40/44/63/569404463.db2.gz KJTRHDUNYBGNGI-UHFFFAOYSA-N 0 0 432.476 4.861 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000059268295 569460618 /nfs/dbraw/zinc/46/06/18/569460618.db2.gz SBDUTFCYVOKTDK-UHFFFAOYSA-N 0 0 439.280 4.991 40 5 IJBBRN COc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000059417117 569461251 /nfs/dbraw/zinc/46/12/51/569461251.db2.gz ZRTFNKIMKIWBCC-UHFFFAOYSA-N 0 0 438.280 4.659 40 5 IJBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1Cl ZINC000020610794 523349898 /nfs/dbraw/zinc/34/98/98/523349898.db2.gz SOGWWQIVYFEVPA-UHFFFAOYSA-N 0 0 437.843 4.551 40 5 IJBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)Nc1ccc2c(c1)OCO2 ZINC000035313213 527073946 /nfs/dbraw/zinc/07/39/46/527073946.db2.gz QMVXLXYWQFGGJQ-UHFFFAOYSA-N 0 0 446.513 4.852 40 5 IJBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012179226 527076508 /nfs/dbraw/zinc/07/65/08/527076508.db2.gz FKTOLQLTFAYKSN-UHFFFAOYSA-N 0 0 425.253 4.682 40 5 IJBBRN Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000408673726 556614255 /nfs/dbraw/zinc/61/42/55/556614255.db2.gz UJKVAFZGVUNMTM-UHFFFAOYSA-N 0 0 435.823 4.610 40 5 IJBBRN COc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1 ZINC000408694334 556615762 /nfs/dbraw/zinc/61/57/62/556615762.db2.gz JDEDGMOTTISSPB-UHFFFAOYSA-N 0 0 449.854 4.757 40 5 IJBBRN Cc1ccc(C)n1N(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1Cl ZINC000408685078 556616669 /nfs/dbraw/zinc/61/66/69/556616669.db2.gz ONEKLFSJIHRFIB-UHFFFAOYSA-N 0 0 446.290 4.981 40 5 IJBBRN CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408714922 556617704 /nfs/dbraw/zinc/61/77/04/556617704.db2.gz YOUSZLAQKINMBI-UHFFFAOYSA-N 0 0 428.876 4.868 40 5 IJBBRN Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 ZINC000408736693 556618836 /nfs/dbraw/zinc/61/88/36/556618836.db2.gz FQGXGUUXGFTOMI-HSZRJFAPSA-N 0 0 447.491 4.688 40 5 IJBBRN COc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1OC ZINC000408840300 556621295 /nfs/dbraw/zinc/62/12/95/556621295.db2.gz AKQHWHAFOZTCNE-NTUHNPAUSA-N 0 0 444.852 4.825 40 5 IJBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1C ZINC000408918051 556622910 /nfs/dbraw/zinc/62/29/10/556622910.db2.gz FNRUCCWREOJEFG-PGAZUGQPSA-N 0 0 438.483 4.782 40 5 IJBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000409180764 556632376 /nfs/dbraw/zinc/63/23/76/556632376.db2.gz ZZZWPDMAHUBBNR-HXUWFJFHSA-N 0 0 440.795 4.937 40 5 IJBBRN CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1cc(OC)cc(OC)c1 ZINC000408831594 556866734 /nfs/dbraw/zinc/86/67/34/556866734.db2.gz ZWDCURYMSYJMPB-UHFFFAOYSA-N 0 0 427.482 4.940 40 5 IJBBRN COc1ccc(CCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC ZINC000408922708 556892410 /nfs/dbraw/zinc/89/24/10/556892410.db2.gz QXZOZYFVIBLLJA-CJLVFECKSA-N 0 0 432.476 4.512 40 5 IJBBRN COc1ccc(N(C)C(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)cc1 ZINC000408998055 556913272 /nfs/dbraw/zinc/91/32/72/556913272.db2.gz HVUXNZVMQHITBL-UHFFFAOYSA-N 0 0 434.521 4.642 40 5 IJBBRN O=c1[nH]c2cc(Br)c(Br)cc2c2ccc(Br)cc12 ZINC000016953001 556978127 /nfs/dbraw/zinc/97/81/27/556978127.db2.gz CEEMUAGAGOVOLG-UHFFFAOYSA-N 0 0 431.909 4.969 40 5 IJBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(OC)cc1 ZINC000409203579 557002603 /nfs/dbraw/zinc/00/26/03/557002603.db2.gz XUVYGAFGTXLCKE-XDOYNYLZSA-N 0 0 431.901 4.627 40 5 IJBBRN O=C(CN1C(=O)SC(=Cc2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000409358555 557085374 /nfs/dbraw/zinc/08/53/74/557085374.db2.gz LNLLWSRZQHHDKG-FRKPEAEDSA-N 0 0 437.260 4.821 40 5 IJBBRN CCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] ZINC000057317037 557240525 /nfs/dbraw/zinc/24/05/25/557240525.db2.gz CXWPPVBRRXRBGF-UHFFFAOYSA-N 0 0 445.269 4.946 40 5 IJBBRN COc1ccc(OC)c(-n2c(-c3ccc([N+](=O)[O-])cc3)cnc2Nc2nc(C)cc(C)n2)c1 ZINC000014608334 557344921 /nfs/dbraw/zinc/34/49/21/557344921.db2.gz MQWPQEFOUXSVBV-UHFFFAOYSA-N 0 0 446.467 4.615 40 5 IJBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408554387 557416805 /nfs/dbraw/zinc/41/68/05/557416805.db2.gz COJBVWZQCHGHBI-UHFFFAOYSA-N 0 0 440.368 4.824 40 5 IJBBRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408563657 557418564 /nfs/dbraw/zinc/41/85/64/557418564.db2.gz WDMKHVVYXZHLHZ-VZCXRCSSSA-N 0 0 446.326 4.957 40 5 IJBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OCC ZINC000408564817 557418657 /nfs/dbraw/zinc/41/86/57/557418657.db2.gz AKKCYFMIPAYYBW-NRFANRHFSA-N 0 0 442.541 4.792 40 5 IJBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1C ZINC000014081818 557418681 /nfs/dbraw/zinc/41/86/81/557418681.db2.gz IVKFLAWSNBZBRU-UHFFFAOYSA-N 0 0 431.905 4.566 40 5 IJBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000014269476 557428677 /nfs/dbraw/zinc/42/86/77/557428677.db2.gz GUDDRZUQUUFYRD-UHFFFAOYSA-N 0 0 441.896 4.954 40 5 IJBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000014269474 557428722 /nfs/dbraw/zinc/42/87/22/557428722.db2.gz QZQJMIJXTLGNDB-UHFFFAOYSA-N 0 0 441.896 4.954 40 5 IJBBRN Cc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc(-c2nc3ccccc3o2)c1O ZINC000014270226 557429752 /nfs/dbraw/zinc/42/97/52/557429752.db2.gz ZPEZVIUIWWWDAZ-UHFFFAOYSA-N 0 0 448.460 4.544 40 5 IJBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(C)C ZINC000106739337 557531913 /nfs/dbraw/zinc/53/19/13/557531913.db2.gz OSAFHYDPRMQAKO-JAIQZWGSSA-N 0 0 442.493 4.875 40 5 IJBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(C)C ZINC000106728902 557532121 /nfs/dbraw/zinc/53/21/21/557532121.db2.gz OLMAOLCLVRLTSY-JAIQZWGSSA-N 0 0 442.493 4.875 40 5 IJBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000026124540 568851381 /nfs/dbraw/zinc/85/13/81/568851381.db2.gz NFWOIEONPGSOAQ-BJMVGYQFSA-N 0 0 433.855 4.942 40 5 IJBBRN COc1ccc(CSc2ncnc(SCc3ccc(OC)cc3)c2[N+](=O)[O-])cc1 ZINC000006973635 569114183 /nfs/dbraw/zinc/11/41/83/569114183.db2.gz FGUVGLSRJZMRNC-UHFFFAOYSA-N 0 0 429.523 4.987 40 5 IJBBRN CCC(=O)n1c(-c2ccccc2)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(=O)CC ZINC000016777619 569161908 /nfs/dbraw/zinc/16/19/08/569161908.db2.gz AOMNEZQAERGFRW-UHFFFAOYSA-N 0 0 449.492 4.719 40 5 IJBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Cl)ccc1Cl ZINC000017095287 569172926 /nfs/dbraw/zinc/17/29/26/569172926.db2.gz HNVKVPXXLHGRKG-UHFFFAOYSA-N 0 0 427.294 4.638 40 5 IJBBRN CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000017095024 569172974 /nfs/dbraw/zinc/17/29/74/569172974.db2.gz USTPYKNKEWFCQQ-UHFFFAOYSA-N 0 0 426.542 4.835 40 5 IJBBRN COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017097713 569173530 /nfs/dbraw/zinc/17/35/30/569173530.db2.gz ABWCTRGADLWRTN-UHFFFAOYSA-N 0 0 431.857 4.644 40 5 IJBBRN CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224780805 569186889 /nfs/dbraw/zinc/18/68/89/569186889.db2.gz XTJDXCPUNZKXEW-UHFFFAOYSA-N 0 0 426.494 4.697 40 5 IJBBRN Cc1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)ccc1[N+](=O)[O-] ZINC000033625641 569245049 /nfs/dbraw/zinc/24/50/49/569245049.db2.gz QHICKHHCEKYDFI-UHFFFAOYSA-N 0 0 435.823 4.610 40 5 IJBBRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c1 ZINC000058163346 569249595 /nfs/dbraw/zinc/24/95/95/569249595.db2.gz IMDTZXJCKSOXBW-UHFFFAOYSA-N 0 0 439.493 4.573 40 5 IJBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000008832187 569291116 /nfs/dbraw/zinc/29/11/16/569291116.db2.gz ATGSCYHSCCFNRT-UHFFFAOYSA-N 0 0 445.479 4.778 40 5 IJBBRN COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1OC ZINC000008903868 569292226 /nfs/dbraw/zinc/29/22/26/569292226.db2.gz UDUQXCLNVQPMQR-UHFFFAOYSA-N 0 0 433.420 4.981 40 5 IJBBRN COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 ZINC000009524248 569297158 /nfs/dbraw/zinc/29/71/58/569297158.db2.gz PGMOKPXIUVCHPT-LIONHTAISA-N 0 0 426.472 4.591 40 5 IJBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 ZINC000010010629 569299049 /nfs/dbraw/zinc/29/90/49/569299049.db2.gz RWFOTUHUQZSMGZ-UHFFFAOYSA-N 0 0 440.393 4.634 40 5 IJBBRN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000013424517 569316147 /nfs/dbraw/zinc/31/61/47/569316147.db2.gz AAVBZIRJRXJTRJ-UHFFFAOYSA-N 0 0 445.504 4.632 40 5 IJBBRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000019630639 569324042 /nfs/dbraw/zinc/32/40/42/569324042.db2.gz GYVCCHOYXMGRTH-UHFFFAOYSA-N 0 0 439.855 4.667 40 5 IJBBRN Cc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020142614 569336016 /nfs/dbraw/zinc/33/60/16/569336016.db2.gz LIQKKIQIEPMLFQ-UHFFFAOYSA-N 0 0 435.480 4.898 40 5 IJBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 ZINC000020197023 569355560 /nfs/dbraw/zinc/35/55/60/569355560.db2.gz ZFXBBWUPQLWGNZ-UHFFFAOYSA-N 0 0 448.888 4.558 40 5 IJBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 ZINC000059433436 569461396 /nfs/dbraw/zinc/46/13/96/569461396.db2.gz UCVWPAVELXJTSG-AYIBLLACSA-N 0 0 438.483 4.864 40 5 IJBBRN CC(C)(c1ccccc1)c1ccc(OCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059475105 569461508 /nfs/dbraw/zinc/46/15/08/569461508.db2.gz VSPDKLJZWBSEEX-UHFFFAOYSA-N 0 0 433.460 4.726 40 5 IJBBRN Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000008652842 569469673 /nfs/dbraw/zinc/46/96/73/569469673.db2.gz LJKRWQUQDCHKMO-RGVLZGJSSA-N 0 0 433.855 4.635 40 5 IJBBRN Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)c1 ZINC000020795965 524841419 /nfs/dbraw/zinc/84/14/19/524841419.db2.gz SERUULPUSWOVIF-KRWDZBQOSA-N 0 0 445.504 4.546 40 5 IJBBRN Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1 ZINC000020632404 525986971 /nfs/dbraw/zinc/98/69/71/525986971.db2.gz AIBZEVFYHLMOLW-QGZVFWFLSA-N 0 0 445.504 4.546 40 5 IJBBRN O=[N+]([O-])c1ccc(-c2nnc(CSc3ncnc4sc5c(c43)CCCC5)o2)cc1 ZINC000012487349 527344220 /nfs/dbraw/zinc/34/42/20/527344220.db2.gz JAEAWGZBWYNCSQ-UHFFFAOYSA-N 0 0 425.495 4.821 40 5 IJBBRN CCOC(=O)c1ccc(-c2ccc(C=Cc3cc(C(F)(F)F)nc(=O)[nH]3)o2)c([N+](=O)[O-])c1 ZINC000408720409 556618596 /nfs/dbraw/zinc/61/85/96/556618596.db2.gz NXNZKGMFOZBTTC-SNAWJCMRSA-N 0 0 449.341 4.716 40 5 IJBBRN Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(C)C3=O ZINC000408755769 556619695 /nfs/dbraw/zinc/61/96/95/556619695.db2.gz FJGLCPWQMLISJN-UHFFFAOYSA-N 0 0 425.238 4.712 40 5 IJBBRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409341705 556637543 /nfs/dbraw/zinc/63/75/43/556637543.db2.gz FNMNMRCCXOTOEN-MFOYZWKCSA-N 0 0 445.884 4.540 40 5 IJBBRN C[C@H]1[C@H](n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)CCC[C@@H]1C ZINC000040398839 556640802 /nfs/dbraw/zinc/64/08/02/556640802.db2.gz UBIAEIPBMUHLGE-OSWQYVSFSA-N 0 0 427.548 4.951 40 5 IJBBRN O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000001846019 556798905 /nfs/dbraw/zinc/79/89/05/556798905.db2.gz DARCHGCFBMXFFD-UHFFFAOYSA-N 0 0 442.296 4.904 40 5 IJBBRN CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(OC)c(OC)c1 ZINC000408834467 556867006 /nfs/dbraw/zinc/86/70/06/556867006.db2.gz WELXAJXVHJRRMO-UHFFFAOYSA-N 0 0 427.482 4.940 40 5 IJBBRN O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccccc1F ZINC000409069230 556942858 /nfs/dbraw/zinc/94/28/58/556942858.db2.gz WSFBYFMEDFYUQE-VCHYOVAHSA-N 0 0 441.802 4.740 40 5 IJBBRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000409328365 557062523 /nfs/dbraw/zinc/06/25/23/557062523.db2.gz SYDWHEVBIHMIFI-UHFFFAOYSA-N 0 0 448.888 4.503 40 5 IJBBRN CCOC(=O)C1=C(NC(=O)c2cccc3nc4ccccc4nc32)S[C@@H]2CCCC[C@@H]12 ZINC000085344909 557101256 /nfs/dbraw/zinc/10/12/56/557101256.db2.gz JGGOUPGQNMDPGI-AUUYWEPGSA-N 0 0 433.533 4.593 40 5 IJBBRN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000000808515 557217431 /nfs/dbraw/zinc/21/74/31/557217431.db2.gz BLPZGRCOYZSZBK-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000014269553 557332064 /nfs/dbraw/zinc/33/20/64/557332064.db2.gz PUORQYZOWFQBLH-UHFFFAOYSA-N 0 0 442.541 4.541 40 5 IJBBRN COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000014270730 557332704 /nfs/dbraw/zinc/33/27/04/557332704.db2.gz WUOYZYYWLKHSAS-UHFFFAOYSA-N 0 0 448.460 4.538 40 5 IJBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000072229369 557343531 /nfs/dbraw/zinc/34/35/31/557343531.db2.gz INSPAMDINGOVTB-UHFFFAOYSA-N 0 0 430.675 4.644 40 5 IJBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Cl ZINC000408568685 557418042 /nfs/dbraw/zinc/41/80/42/557418042.db2.gz IHPFBMRDOWDEHK-LJQANCHMSA-N 0 0 432.933 4.965 40 5 IJBBRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1C ZINC000408638225 557423840 /nfs/dbraw/zinc/42/38/40/557423840.db2.gz BUUSILVUTSKMCE-SFHVURJKSA-N 0 0 445.475 4.996 40 5 IJBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc(Cl)ccc1OC ZINC000408638589 557423958 /nfs/dbraw/zinc/42/39/58/557423958.db2.gz SIIUITUSBGUARO-UHFFFAOYSA-N 0 0 432.889 4.510 40 5 IJBBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)c1 ZINC000106706951 557531606 /nfs/dbraw/zinc/53/16/06/557531606.db2.gz KHOMXLVBGVGMJY-SXGWCWSVSA-N 0 0 433.283 4.902 40 5 IJBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)C ZINC000106722629 557532133 /nfs/dbraw/zinc/53/21/33/557532133.db2.gz LQDWUHKLSHINPF-ODLFYWEKSA-N 0 0 428.466 4.627 40 5 IJBBRN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@H]2CCCO2)cc1 ZINC000000876217 557841269 /nfs/dbraw/zinc/84/12/69/557841269.db2.gz OJZAZFQIPDCQEP-QGZVFWFLSA-N 0 0 430.917 4.978 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223358654 568818217 /nfs/dbraw/zinc/81/82/17/568818217.db2.gz VEFOHXYIFVFNCN-YADHBBJMSA-N 0 0 445.504 4.546 40 5 IJBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1c3ccccc3C2c2ccccc21 ZINC000035146753 568823624 /nfs/dbraw/zinc/82/36/24/568823624.db2.gz QOHHSJVTVWBKPO-LIKPIUCQSA-N 0 0 430.847 4.645 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000016450624 568903309 /nfs/dbraw/zinc/90/33/09/568903309.db2.gz MRDKOCWRKGRVTM-UHFFFAOYSA-N 0 0 446.282 4.744 40 5 IJBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224177955 568908693 /nfs/dbraw/zinc/90/86/93/568908693.db2.gz XVPUCQVBUICMDJ-DHIUTWEWSA-N 0 0 441.516 4.958 40 5 IJBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224178286 568908723 /nfs/dbraw/zinc/90/87/23/568908723.db2.gz QKIZRYZJLPMTLM-XZOQPEGZSA-N 0 0 441.516 4.958 40 5 IJBBRN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)c(C)c4)nc3c2)cc1[N+](=O)[O-] ZINC000006601914 568936200 /nfs/dbraw/zinc/93/62/00/568936200.db2.gz JOOKFLHCUSJHGQ-UHFFFAOYSA-N 0 0 431.452 4.597 40 5 IJBBRN Cc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1 ZINC000016789436 569162046 /nfs/dbraw/zinc/16/20/46/569162046.db2.gz NTZKABHCESERCU-UHFFFAOYSA-N 0 0 431.477 4.521 40 5 IJBBRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000017095288 569172811 /nfs/dbraw/zinc/17/28/11/569172811.db2.gz AKYGEBXGLQTQIJ-UHFFFAOYSA-N 0 0 427.294 4.638 40 5 IJBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000017099814 569173543 /nfs/dbraw/zinc/17/35/43/569173543.db2.gz WHEQVYIKVPCTAY-NSHDSACASA-N 0 0 435.933 4.812 40 5 IJBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1C ZINC000017099588 569173550 /nfs/dbraw/zinc/17/35/50/569173550.db2.gz VBKGRKRKXQEEEK-UHFFFAOYSA-N 0 0 435.505 4.917 40 5 IJBBRN COc1cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(OC)c1OC ZINC000010041200 569220883 /nfs/dbraw/zinc/22/08/83/569220883.db2.gz QRPLRCXUWQVUSS-UHFFFAOYSA-N 0 0 439.420 4.770 40 5 IJBBRN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1[N+](=O)[O-] ZINC000033659811 569245455 /nfs/dbraw/zinc/24/54/55/569245455.db2.gz PIKVJGJWZRNZHY-UHFFFAOYSA-N 0 0 432.933 4.674 40 5 IJBBRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034688713 569247233 /nfs/dbraw/zinc/24/72/33/569247233.db2.gz NBSYUONLGJZNLP-UHFFFAOYSA-N 0 0 433.445 4.840 40 5 IJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000009642617 569297596 /nfs/dbraw/zinc/29/75/96/569297596.db2.gz ROUQVTNZWFZXOS-LLVKDONJSA-N 0 0 428.539 4.764 40 5 IJBBRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000020142762 569335995 /nfs/dbraw/zinc/33/59/95/569335995.db2.gz KPLRDUYPDUPJHC-UHFFFAOYSA-N 0 0 441.871 4.853 40 5 IJBBRN O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000003011749 569435422 /nfs/dbraw/zinc/43/54/22/569435422.db2.gz YUTHHMMVKWMGDZ-WOJGMQOQSA-N 0 0 449.350 4.779 40 5 IJBBRN CCOC(=O)[C@H](C(C)=O)C(c1c2ccccc2cc2ccccc21)[C@@H](C(C)=O)C(=O)OCC ZINC000016682140 521183992 /nfs/dbraw/zinc/18/39/92/521183992.db2.gz ZAWXSOPDZSJZFM-DHIUTWEWSA-N 0 0 448.515 4.613 40 5 IJBBRN COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000012062445 523780227 /nfs/dbraw/zinc/78/02/27/523780227.db2.gz RSBJEZXJRKBQLG-FQUZAXHOSA-N 0 0 426.472 4.591 40 5 IJBBRN COc1ccc(Cl)cc1-c1nc(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000408674548 556614533 /nfs/dbraw/zinc/61/45/33/556614533.db2.gz AFYIXYDPJYPUAC-UHFFFAOYSA-N 0 0 439.280 4.670 40 5 IJBBRN O=C(Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 ZINC000408673996 556615532 /nfs/dbraw/zinc/61/55/32/556615532.db2.gz WSIRQIHYEWCEPE-UHFFFAOYSA-N 0 0 440.253 4.862 40 5 IJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000408693649 556615706 /nfs/dbraw/zinc/61/57/06/556615706.db2.gz BLGIHXMDIWZLLU-UHFFFAOYSA-N 0 0 437.818 4.887 40 5 IJBBRN CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(C)c2)cc1 ZINC000408694721 556615746 /nfs/dbraw/zinc/61/57/46/556615746.db2.gz MBGANCSVIHDLFI-UHFFFAOYSA-N 0 0 443.463 4.802 40 5 IJBBRN Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408739121 556619177 /nfs/dbraw/zinc/61/91/77/556619177.db2.gz XWOIMUPFEOBKIP-JOCHJYFZSA-N 0 0 447.491 4.688 40 5 IJBBRN O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000408923435 556623170 /nfs/dbraw/zinc/62/31/70/556623170.db2.gz CPBTVZSPFVFJGJ-HKOYGPOVSA-N 0 0 431.467 4.623 40 5 IJBBRN COCCn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409093585 556630260 /nfs/dbraw/zinc/63/02/60/556630260.db2.gz AXXWCJMUMRAKLJ-UHFFFAOYSA-N 0 0 438.431 4.594 40 5 IJBBRN O=C1NC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409173105 556632455 /nfs/dbraw/zinc/63/24/55/556632455.db2.gz JRTDEPBWZHOMLS-FYJGNVAPSA-N 0 0 449.850 4.925 40 5 IJBBRN CCC(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409176972 556632483 /nfs/dbraw/zinc/63/24/83/556632483.db2.gz CSGAZPLMVOKIPH-QHCPKHFHSA-N 0 0 432.432 4.724 40 5 IJBBRN O=C1NC(=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409244409 556636160 /nfs/dbraw/zinc/63/61/60/556636160.db2.gz CFKYGZHHTACOJI-XDHOZWIPSA-N 0 0 449.850 4.925 40 5 IJBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1Cc1ccco1 ZINC000040398718 556640617 /nfs/dbraw/zinc/64/06/17/556640617.db2.gz ZFTMMMBVZSLYNM-UHFFFAOYSA-N 0 0 438.270 4.649 40 5 IJBBRN COc1ccc(Cn2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c4cc3c2=O)cc1 ZINC000040398816 556820542 /nfs/dbraw/zinc/82/05/42/556820542.db2.gz CPLDEDJNSSLCJH-QJMRKGMQSA-N 0 0 443.547 4.766 40 5 IJBBRN COc1ccc(C(=O)Nc2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1[N+](=O)[O-] ZINC000408973768 556904890 /nfs/dbraw/zinc/90/48/90/556904890.db2.gz BNLKCHBAUAOSSH-UHFFFAOYSA-N 0 0 446.375 4.912 40 5 IJBBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409075920 556943819 /nfs/dbraw/zinc/94/38/19/556943819.db2.gz VJEXEEJJSYFHCX-XDHOZWIPSA-N 0 0 428.466 4.629 40 5 IJBBRN O=C(CCC(=O)OCc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409180443 556989101 /nfs/dbraw/zinc/98/91/01/556989101.db2.gz SVAPGCXHIANGBV-UHFFFAOYSA-N 0 0 430.766 4.729 40 5 IJBBRN CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000409197422 556994974 /nfs/dbraw/zinc/99/49/74/556994974.db2.gz FBVWMKPCKQXXGO-XDOYNYLZSA-N 0 0 431.901 4.763 40 5 IJBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000409238342 557019665 /nfs/dbraw/zinc/01/96/65/557019665.db2.gz NBSWBRXMYUVJFU-OEAKJJBVSA-N 0 0 443.459 4.575 40 5 IJBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1 ZINC000409231521 557023384 /nfs/dbraw/zinc/02/33/84/557023384.db2.gz KYKZYFSVOYMZJK-YBFXNURJSA-N 0 0 437.839 4.910 40 5 IJBBRN Cc1nc2ccccc2c2c(NC(=O)CCn3c4ccccc4oc3=O)c3ccccc3n21 ZINC000014632781 557345957 /nfs/dbraw/zinc/34/59/57/557345957.db2.gz IAVYZRZZPQTTPA-UHFFFAOYSA-N 0 0 436.471 4.886 40 5 IJBBRN O=[N+]([O-])c1cc(Oc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc([N+](=O)[O-])c1 ZINC000100494806 557410813 /nfs/dbraw/zinc/41/08/13/557410813.db2.gz RJZNLXIKJXGICO-UHFFFAOYSA-N 0 0 442.296 4.904 40 5 IJBBRN Cc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c([N+](=O)[O-])c1 ZINC000014269369 557428472 /nfs/dbraw/zinc/42/84/72/557428472.db2.gz KRFHFCBNYNYBTG-UHFFFAOYSA-N 0 0 444.310 4.946 40 5 IJBBRN CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000014273655 557433302 /nfs/dbraw/zinc/43/33/02/557433302.db2.gz YUBGIDPEXDRMAW-UHFFFAOYSA-N 0 0 440.887 4.512 40 5 IJBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000907424 568635777 /nfs/dbraw/zinc/63/57/77/568635777.db2.gz WHAAEPZJBLEPMY-UHFFFAOYSA-N 0 0 445.504 4.882 40 5 IJBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1[N+](=O)[O-] ZINC000000976126 568647228 /nfs/dbraw/zinc/64/72/28/568647228.db2.gz CKRVCRJFCFXKHK-UHFFFAOYSA-N 0 0 449.492 4.782 40 5 IJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223976196 568880116 /nfs/dbraw/zinc/88/01/16/568880116.db2.gz WIZYGFGDTGGZOJ-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cccc1[N+](=O)[O-] ZINC000224032124 568886054 /nfs/dbraw/zinc/88/60/54/568886054.db2.gz LXFSUHKNJWTDAH-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474687 568919841 /nfs/dbraw/zinc/91/98/41/568919841.db2.gz WMUPODQGZHHXTB-UHFFFAOYSA-N 0 0 437.525 4.954 40 5 IJBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224526761 568937131 /nfs/dbraw/zinc/93/71/31/568937131.db2.gz ZVRWMTRGORTGIK-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000007496769 569141546 /nfs/dbraw/zinc/14/15/46/569141546.db2.gz GQSMBZGJBJJUMP-UHFFFAOYSA-N 0 0 425.485 4.649 40 5 IJBBRN O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000016805966 569162146 /nfs/dbraw/zinc/16/21/46/569162146.db2.gz WPIVKHOZNLMAOX-UHFFFAOYSA-N 0 0 440.264 4.839 40 5 IJBBRN O=C(NC(=S)Nc1c(O)ccc2ccccc21)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017098377 569173565 /nfs/dbraw/zinc/17/35/65/569173565.db2.gz QNALCRSPZMXHFJ-UHFFFAOYSA-N 0 0 433.445 4.840 40 5 IJBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034721427 569247505 /nfs/dbraw/zinc/24/75/05/569247505.db2.gz CGFIXLKUPJOGJO-UHFFFAOYSA-N 0 0 436.493 4.582 40 5 IJBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000035103632 569248257 /nfs/dbraw/zinc/24/82/57/569248257.db2.gz NFTYXUJDDDQFHH-XYOKQWHBSA-N 0 0 437.452 4.786 40 5 IJBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] ZINC000058058880 569249632 /nfs/dbraw/zinc/24/96/32/569249632.db2.gz GLPHZFASZQUVTM-UHFFFAOYSA-N 0 0 445.884 4.610 40 5 IJBBRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2CC)cc1 ZINC000108991788 569253401 /nfs/dbraw/zinc/25/34/01/569253401.db2.gz HVBPLNFJIIAHTL-OAHLLOKOSA-N 0 0 440.525 4.884 40 5 IJBBRN Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)n3ccccc23)c1Cl ZINC000027753801 569296601 /nfs/dbraw/zinc/29/66/01/569296601.db2.gz LXSJMRLJJOFNFX-UHFFFAOYSA-N 0 0 448.866 4.875 40 5 IJBBRN COc1cc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC ZINC000010120212 569299321 /nfs/dbraw/zinc/29/93/21/569299321.db2.gz ROBQRNNDHVBNHN-UHFFFAOYSA-N 0 0 449.419 4.681 40 5 IJBBRN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1-c1cc2ccccc2oc1=O ZINC000010128865 569299420 /nfs/dbraw/zinc/29/94/20/569299420.db2.gz OVXACJAICVZKSP-UHFFFAOYSA-N 0 0 430.416 4.694 40 5 IJBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(F)cc32)cc1 ZINC000013388719 569315316 /nfs/dbraw/zinc/31/53/16/569315316.db2.gz WWOPGLGDYOPAJP-UHFFFAOYSA-N 0 0 439.244 4.930 40 5 IJBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)ccc1Cl ZINC000019648423 569325169 /nfs/dbraw/zinc/32/51/69/569325169.db2.gz XUOPXLABSOOZGI-UHFFFAOYSA-N 0 0 449.113 4.791 40 5 IJBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000019927452 569332056 /nfs/dbraw/zinc/33/20/56/569332056.db2.gz NNTVENALGSCWID-UHFFFAOYSA-N 0 0 439.280 4.991 40 5 IJBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000214562465 569332879 /nfs/dbraw/zinc/33/28/79/569332879.db2.gz LASITDQAGWGDAD-FYJGNVAPSA-N 0 0 433.489 4.990 40 5 IJBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000020142980 569335992 /nfs/dbraw/zinc/33/59/92/569335992.db2.gz DSLIUZCIKXJSGK-UHFFFAOYSA-N 0 0 441.871 4.853 40 5 IJBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC ZINC000225756798 569408105 /nfs/dbraw/zinc/40/81/05/569408105.db2.gz GTBVMFOXTVXGOZ-UHFFFAOYSA-N 0 0 426.469 4.621 40 5 IJBBRN O=C(O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000031715993 569457028 /nfs/dbraw/zinc/45/70/28/569457028.db2.gz XNGAEWBIGCGDAO-RPWUZVMVSA-N 0 0 432.476 4.566 40 5 IJBBRN O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000039765687 569481883 /nfs/dbraw/zinc/48/18/83/569481883.db2.gz MIAALIRJKGUJSH-UHFFFAOYSA-N 0 0 445.460 4.618 40 5 IJBBRN