smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CSCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000302712076 971287781 /nfs/dbraw/zinc/28/77/81/971287781.db2.gz IJMIBSABCZLJMC-CQSZACIVSA-N -1 1 407.517 3.585 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)s1 ZINC000537564949 1013101590 /nfs/dbraw/zinc/10/15/90/1013101590.db2.gz PFNOJQGDUJZOPY-VIFPVBQESA-N -1 1 422.315 3.520 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC ZINC000007927781 961373797 /nfs/dbraw/zinc/37/37/97/961373797.db2.gz OSZFYBVNMBYKJJ-UHFFFAOYSA-N -1 1 400.840 3.846 20 5 HHBDMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])s1 ZINC000060414495 966135732 /nfs/dbraw/zinc/13/57/32/966135732.db2.gz HSMOSXQQLFFWSQ-UHFFFAOYSA-N -1 1 403.441 3.709 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1[N+](=O)[O-] ZINC000063879505 966985725 /nfs/dbraw/zinc/98/57/25/966985725.db2.gz HMWVCLCFZXBNLB-UHFFFAOYSA-N -1 1 405.457 3.891 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCOc2ccc(F)cc21 ZINC000146984638 970314893 /nfs/dbraw/zinc/31/48/93/970314893.db2.gz KLVGNJYRZGSNLJ-CYBMUJFWSA-N -1 1 400.815 3.580 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] ZINC000322994558 972705547 /nfs/dbraw/zinc/70/55/47/972705547.db2.gz ZZVMTGSORWTTPI-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC000410400361 974000243 /nfs/dbraw/zinc/00/02/43/974000243.db2.gz ZDKITKTVEPOEBL-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM CCC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000427320383 975050353 /nfs/dbraw/zinc/05/03/53/975050353.db2.gz LIOLVHLOZVFESK-UHFFFAOYSA-N -1 1 417.487 3.624 20 5 HHBDMM COc1ccc(Sc2nsc([N-]C(=O)c3ccc([N+](=O)[O-])cc3OC)n2)cc1 ZINC000427401555 975096221 /nfs/dbraw/zinc/09/62/21/975096221.db2.gz WLYINUXOOSQHBF-UHFFFAOYSA-N -1 1 418.456 3.867 20 5 HHBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000427801651 975297845 /nfs/dbraw/zinc/29/78/45/975297845.db2.gz JDGSTCRHKSRKPL-LJQANCHMSA-N -1 1 402.428 3.573 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)CC(C)(C)O2 ZINC000430373111 977509255 /nfs/dbraw/zinc/50/92/55/977509255.db2.gz HNMAWRKZKFQGAX-UHFFFAOYSA-N -1 1 412.851 3.771 20 5 HHBDMM O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000432075560 978670132 /nfs/dbraw/zinc/67/01/32/978670132.db2.gz ARMZQMDCZIXEPL-UHFFFAOYSA-N -1 1 404.180 3.520 20 5 HHBDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3CC)c2)n1 ZINC000432178417 978701817 /nfs/dbraw/zinc/70/18/17/978701817.db2.gz TVQYAYPFCKBTFB-UHFFFAOYSA-N -1 1 416.459 3.879 20 5 HHBDMM CC(C)c1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2s1 ZINC000432185995 978704849 /nfs/dbraw/zinc/70/48/49/978704849.db2.gz NMVUIERRPFYHSZ-UHFFFAOYSA-N -1 1 421.456 3.827 20 5 HHBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc([N+](=O)[O-])c(OCC)c3)c2)n1 ZINC000432940768 979017624 /nfs/dbraw/zinc/01/76/24/979017624.db2.gz SQTATSDGSMREPR-UHFFFAOYSA-N -1 1 411.418 3.567 20 5 HHBDMM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433634942 979439592 /nfs/dbraw/zinc/43/95/92/979439592.db2.gz RFUIAFFFSFFSFT-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc(Br)c3)[nH]n2)c1 ZINC000434969228 980539777 /nfs/dbraw/zinc/53/97/77/980539777.db2.gz XWFJNAHTDIELHJ-UHFFFAOYSA-N -1 1 423.248 3.548 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000435138424 980669739 /nfs/dbraw/zinc/66/97/39/980669739.db2.gz RRCYNGVGALFERO-UHFFFAOYSA-N -1 1 417.468 3.950 20 5 HHBDMM COc1cccc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c1[N+](=O)[O-] ZINC000435657326 980976865 /nfs/dbraw/zinc/97/68/65/980976865.db2.gz UNQXFLHGJIZYAV-UHFFFAOYSA-N -1 1 402.457 4.000 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436893096 981603329 /nfs/dbraw/zinc/60/33/29/981603329.db2.gz NQPUZKRGOZNJJB-KPZWWZAWSA-N -1 1 407.829 3.516 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000437314525 981966332 /nfs/dbraw/zinc/96/63/32/981966332.db2.gz ISEAYVVNNTXQHQ-UWVGGRQHSA-N -1 1 400.806 3.895 20 5 HHBDMM Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(SCCC(=O)[O-])c1 ZINC000460444501 982236453 /nfs/dbraw/zinc/23/64/53/982236453.db2.gz PLXOOWRYDBHCFX-UHFFFAOYSA-N -1 1 410.473 3.579 20 5 HHBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000460716152 982472756 /nfs/dbraw/zinc/47/27/56/982472756.db2.gz CIFOHMKFXJQYAQ-UHFFFAOYSA-N -1 1 411.439 3.577 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1F ZINC000438806265 983082441 /nfs/dbraw/zinc/08/24/41/983082441.db2.gz PIQBKNXULDYEEW-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000441721849 984415264 /nfs/dbraw/zinc/41/52/64/984415264.db2.gz XAYCXVYEVOFRRN-UHFFFAOYSA-N -1 1 404.366 3.899 20 5 HHBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000462683547 985622279 /nfs/dbraw/zinc/62/22/79/985622279.db2.gz UOSULGOMEKCBSM-AWEZNQCLSA-N -1 1 405.259 3.568 20 5 HHBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c1 ZINC000463169449 986141608 /nfs/dbraw/zinc/14/16/08/986141608.db2.gz JFXPABQXEKWATG-UHFFFAOYSA-N -1 1 408.201 3.948 20 5 HHBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000444461446 986643981 /nfs/dbraw/zinc/64/39/81/986643981.db2.gz AUTADIDZJXTEKJ-UHFFFAOYSA-N -1 1 413.444 3.521 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000445006824 987137989 /nfs/dbraw/zinc/13/79/89/987137989.db2.gz VRMXMYCCWRTNPK-LBPRGKRZSA-N -1 1 412.229 3.686 20 5 HHBDMM Cc1sc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 ZINC000445187647 987266386 /nfs/dbraw/zinc/26/63/86/987266386.db2.gz QQJCOWHDNXWERH-UHFFFAOYSA-N -1 1 404.835 3.711 20 5 HHBDMM CCC(CC)(CCO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000467010862 992318755 /nfs/dbraw/zinc/31/87/55/992318755.db2.gz NRIGZDMRPQZIOP-UHFFFAOYSA-N -1 1 421.519 3.996 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000467039879 992348702 /nfs/dbraw/zinc/34/87/02/992348702.db2.gz DLRZDDJGQDTMKN-AWEZNQCLSA-N -1 1 424.450 3.567 20 5 HHBDMM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000467795166 993030407 /nfs/dbraw/zinc/03/04/07/993030407.db2.gz BLNLMWKASAJPAK-WBVHZDCISA-N -1 1 410.879 3.755 20 5 HHBDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481957591 994841710 /nfs/dbraw/zinc/84/17/10/994841710.db2.gz PSXDLHXTOMIOAW-UHFFFAOYSA-N -1 1 414.443 3.903 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1C ZINC000484205719 996634473 /nfs/dbraw/zinc/63/44/73/996634473.db2.gz VEMLGIJHBDCLLJ-UHFFFAOYSA-N -1 1 423.454 3.951 20 5 HHBDMM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])o2)cs1 ZINC000477153969 997812800 /nfs/dbraw/zinc/81/28/00/997812800.db2.gz YXADPWIIOAFWOF-UHFFFAOYSA-N -1 1 413.864 3.752 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000477214571 997887127 /nfs/dbraw/zinc/88/71/27/997887127.db2.gz ZYZWOMLZHMEUHZ-ZDUSSCGKSA-N -1 1 403.460 3.689 20 5 HHBDMM O=c1cc(/C=C/c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc2nc[n-]n21 ZINC000486172832 998619313 /nfs/dbraw/zinc/61/93/13/998619313.db2.gz KILKWXBXAUCSQM-ORCRQEGFSA-N -1 1 409.789 3.942 20 5 HHBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487336152 999138805 /nfs/dbraw/zinc/13/88/05/999138805.db2.gz LBMKFGFLDWBMSW-CYBMUJFWSA-N -1 1 405.259 3.568 20 5 HHBDMM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488821024 999618389 /nfs/dbraw/zinc/61/83/89/999618389.db2.gz FOHLSWGCOHSMOD-SNVBAGLBSA-N -1 1 417.256 3.578 20 5 HHBDMM CCc1cnc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])o1 ZINC000480193340 999741325 /nfs/dbraw/zinc/74/13/25/999741325.db2.gz JFSICAJINRFQOV-UHFFFAOYSA-N -1 1 402.432 3.558 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480214388 999747337 /nfs/dbraw/zinc/74/73/37/999747337.db2.gz BWOVWGZOLIVOLZ-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000491583498 1000085963 /nfs/dbraw/zinc/08/59/63/1000085963.db2.gz KEMAYCKBWJLOER-UHFFFAOYSA-N -1 1 420.487 3.897 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506264017 1001315946 /nfs/dbraw/zinc/31/59/46/1001315946.db2.gz MIGJMFXXARIDKX-HNNXBMFYSA-N -1 1 424.910 3.916 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c([N+](=O)[O-])c1 ZINC000508084756 1002605991 /nfs/dbraw/zinc/60/59/91/1002605991.db2.gz NXUVKKLBPJKKIZ-UHFFFAOYSA-N -1 1 406.645 3.515 20 5 HHBDMM CCOc1cc([N-]C(=O)c2coc(C3CCOCC3)n2)c([N+](=O)[O-])cc1OCC ZINC000509119578 1003565921 /nfs/dbraw/zinc/56/59/21/1003565921.db2.gz BLDRPHNVIXXYEL-UHFFFAOYSA-N -1 1 405.407 3.527 20 5 HHBDMM CC[C@H](C)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000512124527 1004039792 /nfs/dbraw/zinc/03/97/92/1004039792.db2.gz SLWDATUVZXKHHM-DZGCQCFKSA-N -1 1 419.503 3.868 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC000509784215 1004094551 /nfs/dbraw/zinc/09/45/51/1004094551.db2.gz VZHGIJLXSWCLPA-CQSZACIVSA-N -1 1 416.908 3.756 20 5 HHBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cc(C(F)(F)F)ccc1SCC(F)F ZINC000501730055 1004654624 /nfs/dbraw/zinc/65/46/24/1004654624.db2.gz OXMYQSVECAWZIY-UHFFFAOYSA-N -1 1 410.324 3.957 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000512991344 1004748119 /nfs/dbraw/zinc/74/81/19/1004748119.db2.gz JPNNEQRWAXQYNC-XJKSGUPXSA-N -1 1 410.879 3.694 20 5 HHBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000502477362 1005087365 /nfs/dbraw/zinc/08/73/65/1005087365.db2.gz LMOKQVAOXFDVLN-UHFFFAOYSA-N -1 1 401.178 3.672 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000513751659 1005109540 /nfs/dbraw/zinc/10/95/40/1005109540.db2.gz HFDRNGVNCKCPIW-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1[N+](=O)[O-] ZINC000511710087 1005287164 /nfs/dbraw/zinc/28/71/64/1005287164.db2.gz IWTOETNZUXTQIF-UHFFFAOYSA-N -1 1 415.427 3.900 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CC3(C)C)cc2)cc1[N+](=O)[O-] ZINC000503341347 1005393814 /nfs/dbraw/zinc/39/38/14/1005393814.db2.gz SFGIUNQFCHMKTJ-MRXNPFEDSA-N -1 1 403.460 3.689 20 5 HHBDMM CCOc1cc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c([N+](=O)[O-])cc1OCC ZINC000534057190 1006028729 /nfs/dbraw/zinc/02/87/29/1006028729.db2.gz XTXOFASEJHUGHT-CYBMUJFWSA-N -1 1 407.448 3.953 20 5 HHBDMM Cc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)[n-]c(=O)c1C ZINC000538516648 1006780797 /nfs/dbraw/zinc/78/07/97/1006780797.db2.gz KNWQTOABMOKHNN-VIFPVBQESA-N -1 1 416.381 3.845 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccccc1C(F)(F)F ZINC000518576320 1008352068 /nfs/dbraw/zinc/35/20/68/1008352068.db2.gz SQLRBHFLYONVOS-UHFFFAOYSA-N -1 1 424.784 3.624 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000540321895 1008379734 /nfs/dbraw/zinc/37/97/34/1008379734.db2.gz ZDTIUKILNRBUTN-HIFRSBDPSA-N -1 1 417.270 3.710 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000520038315 1009196835 /nfs/dbraw/zinc/19/68/35/1009196835.db2.gz YWRLGWRNVRMZKT-UHFFFAOYSA-N -1 1 405.476 3.943 20 5 HHBDMM Cc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 ZINC000546170079 1009202477 /nfs/dbraw/zinc/20/24/77/1009202477.db2.gz BAZRXFXBEPOGQQ-UHFFFAOYSA-N -1 1 407.835 3.690 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000543656810 1009263049 /nfs/dbraw/zinc/26/30/49/1009263049.db2.gz BRZBIBPWAHEUNQ-UHFFFAOYSA-N -1 1 405.476 3.915 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)cc1[N+](=O)[O-] ZINC000543858564 1009424891 /nfs/dbraw/zinc/42/48/91/1009424891.db2.gz MHYKJIYSDUEHPX-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl)OCCO2 ZINC000544631005 1010254239 /nfs/dbraw/zinc/25/42/39/1010254239.db2.gz SNPQURWPYGWSBV-UHFFFAOYSA-N -1 1 420.777 3.758 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541831988 1012718314 /nfs/dbraw/zinc/71/83/14/1012718314.db2.gz WLVNGUKFQWJRMZ-BBRMVZONSA-N -1 1 414.842 3.586 20 5 HHBDMM CSc1nc(C)c(CCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000541996437 1012874660 /nfs/dbraw/zinc/87/46/60/1012874660.db2.gz PANPOOZUDODMOR-UHFFFAOYSA-N -1 1 416.381 3.711 20 5 HHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000760632762 1072219391 /nfs/dbraw/zinc/21/93/91/1072219391.db2.gz JMNWXGQBKUAWAK-KRWDZBQOSA-N -1 1 421.837 3.850 20 5 HHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000588853876 1073308325 /nfs/dbraw/zinc/30/83/25/1073308325.db2.gz DNICFDDDQQQKHR-SNVBAGLBSA-N -1 1 420.365 3.739 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000555412925 1073436285 /nfs/dbraw/zinc/43/62/85/1073436285.db2.gz WOENFZLEUXFLPY-SNVBAGLBSA-N -1 1 415.802 3.595 20 5 HHBDMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])[nH]n2)cc1 ZINC000591577790 1074421520 /nfs/dbraw/zinc/42/15/20/1074421520.db2.gz PYRNFSBLAWMEMN-UHFFFAOYSA-N -1 1 416.459 3.747 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000301651060 971014983 /nfs/dbraw/zinc/01/49/83/971014983.db2.gz JUWKNSRVSBENJR-SQGPQFPESA-N -1 1 417.487 3.765 20 5 HHBDMM C[C@@H]1CSCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000302712073 971288101 /nfs/dbraw/zinc/28/81/01/971288101.db2.gz IJMIBSABCZLJMC-AWEZNQCLSA-N -1 1 407.517 3.585 20 5 HHBDMM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303199265 971556345 /nfs/dbraw/zinc/55/63/45/971556345.db2.gz HCKLYHNKICVSFX-VIFPVBQESA-N -1 1 402.407 3.757 20 5 HHBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCCC ZINC000016096001 962941709 /nfs/dbraw/zinc/94/17/09/962941709.db2.gz BRUXHUCUNVPFJH-UHFFFAOYSA-N -1 1 424.475 3.982 20 5 HHBDMM COCCOCc1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000055632648 965977095 /nfs/dbraw/zinc/97/70/95/965977095.db2.gz NPEHGFNAUUEKKF-UHFFFAOYSA-N -1 1 414.867 3.520 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000055633239 965979354 /nfs/dbraw/zinc/97/93/54/965979354.db2.gz HVKZYQQHQVEICP-UHFFFAOYSA-N -1 1 408.476 3.566 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] ZINC000031669184 966080562 /nfs/dbraw/zinc/08/05/62/966080562.db2.gz HTFWYZSBVHABNV-UHFFFAOYSA-N -1 1 411.867 3.952 20 5 HHBDMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000036798323 966456037 /nfs/dbraw/zinc/45/60/37/966456037.db2.gz AUCJOLUYUSNNFQ-UHFFFAOYSA-N -1 1 424.891 3.934 20 5 HHBDMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000097550929 969159530 /nfs/dbraw/zinc/15/95/30/969159530.db2.gz QTUMCENWBIYLCW-UHFFFAOYSA-N -1 1 410.459 3.857 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000410100708 973576229 /nfs/dbraw/zinc/57/62/29/973576229.db2.gz PXPRBFMPSBUMRW-UHFFFAOYSA-N -1 1 413.327 3.815 20 5 HHBDMM COc1ccc(Br)cc1[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426751006 974634849 /nfs/dbraw/zinc/63/48/49/974634849.db2.gz RVUDMDDZOANHSQ-INIZCTEOSA-N -1 1 409.236 3.590 20 5 HHBDMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000426798340 974668701 /nfs/dbraw/zinc/66/87/01/974668701.db2.gz HXFIVYVAQUHBJQ-IBGZPJMESA-N -1 1 414.849 3.966 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)c([N+](=O)[O-])c1 ZINC000432642823 978922684 /nfs/dbraw/zinc/92/26/84/978922684.db2.gz NPWICVWTRSOJIZ-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436729996 981535552 /nfs/dbraw/zinc/53/55/52/981535552.db2.gz DCJLCKLZIWZGTM-SJKOYZFVSA-N -1 1 407.829 3.516 20 5 HHBDMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000436915822 981620995 /nfs/dbraw/zinc/62/09/95/981620995.db2.gz QPONSYFDPPFOBM-UHFFFAOYSA-N -1 1 410.777 3.539 20 5 HHBDMM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000438792497 983073896 /nfs/dbraw/zinc/07/38/96/983073896.db2.gz DVLVIUZDUOSTEG-UHFFFAOYSA-N -1 1 410.249 3.948 20 5 HHBDMM COc1ccccc1-c1nc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000439064829 983234197 /nfs/dbraw/zinc/23/41/97/983234197.db2.gz NHKKCTAWWNOQFZ-UHFFFAOYSA-N -1 1 407.308 3.660 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)cc1[N+](=O)[O-] ZINC000440090220 983640180 /nfs/dbraw/zinc/64/01/80/983640180.db2.gz GSPUPYUSEIIMKP-UHFFFAOYSA-N -1 1 415.393 3.582 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000440294394 983709235 /nfs/dbraw/zinc/70/92/35/983709235.db2.gz OTZNPGIUFDVEPU-UHFFFAOYSA-N -1 1 404.366 3.899 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2nccc(C)n2)cc1 ZINC000441764417 984438654 /nfs/dbraw/zinc/43/86/54/984438654.db2.gz LHOPEUNEBFENMG-UHFFFAOYSA-N -1 1 414.443 3.849 20 5 HHBDMM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000462716198 985662044 /nfs/dbraw/zinc/66/20/44/985662044.db2.gz YFEITYRHZZMEBE-JTQLQIEISA-N -1 1 417.281 3.558 20 5 HHBDMM C[C@H](O)CC(C)(C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000462884940 985809657 /nfs/dbraw/zinc/80/96/57/985809657.db2.gz RSHGDDRBBJTKIZ-AWEZNQCLSA-N -1 1 407.492 3.605 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(S[C@@H](C)[C@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000463015731 985971083 /nfs/dbraw/zinc/97/10/83/985971083.db2.gz WOJFUWSTPKPFQH-KBPBESRZSA-N -1 1 410.517 3.874 20 5 HHBDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463526735 986503675 /nfs/dbraw/zinc/50/36/75/986503675.db2.gz YVERIVPHCMKISX-UHFFFAOYSA-N -1 1 420.834 3.556 20 5 HHBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc([N+](=O)[O-])cc1F ZINC000444374906 986551466 /nfs/dbraw/zinc/55/14/66/986551466.db2.gz NUSWGGKPWAIVAA-UHFFFAOYSA-N -1 1 401.394 3.754 20 5 HHBDMM O=C(NC(Cc1ccccc1F)Cc1ccccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444976583 987106208 /nfs/dbraw/zinc/10/62/08/987106208.db2.gz QZAWJIJPRPPWEO-UHFFFAOYSA-N -1 1 413.380 3.557 20 5 HHBDMM COc1cccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2Cl)c1 ZINC000444997614 987127330 /nfs/dbraw/zinc/12/73/30/987127330.db2.gz PAQCWFHBPSFJBZ-GOSISDBHSA-N -1 1 413.817 3.877 20 5 HHBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000445190380 987269085 /nfs/dbraw/zinc/26/90/85/987269085.db2.gz PZCSSSCMQFNBLX-GFCCVEGCSA-N -1 1 424.388 3.578 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)c2ncccc12 ZINC000464419153 988591190 /nfs/dbraw/zinc/59/11/90/988591190.db2.gz MKKLENOQRTZAAV-UHFFFAOYSA-N -1 1 403.382 3.687 20 5 HHBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000470706169 988726705 /nfs/dbraw/zinc/72/67/05/988726705.db2.gz RFGIRNHRLSVSRV-UHFFFAOYSA-N -1 1 413.262 3.725 20 5 HHBDMM CC[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000471453814 989640414 /nfs/dbraw/zinc/64/04/14/989640414.db2.gz VWNPYFZEQNAKEJ-NSHDSACASA-N -1 1 414.245 3.932 20 5 HHBDMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000471870434 990042329 /nfs/dbraw/zinc/04/23/29/990042329.db2.gz JJNXVCPZMRMKBP-ZDUSSCGKSA-N -1 1 416.459 3.555 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000467073109 992378941 /nfs/dbraw/zinc/37/89/41/992378941.db2.gz QLVVGJUZRDXAII-UHFFFAOYSA-N -1 1 408.476 3.566 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1csc(-c2ccccc2)n1 ZINC000481080587 993920237 /nfs/dbraw/zinc/92/02/37/993920237.db2.gz NJPFDYJPXQSVSC-UHFFFAOYSA-N -1 1 423.903 3.893 20 5 HHBDMM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000473349091 994211169 /nfs/dbraw/zinc/21/11/69/994211169.db2.gz VBZRSCGMOANTFI-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2noc([N-][C@H](CO)c3cccc(Br)c3)n2)cc1 ZINC000482033482 994951100 /nfs/dbraw/zinc/95/11/00/994951100.db2.gz OOGLWULWRJDAJM-CQSZACIVSA-N -1 1 405.208 3.553 20 5 HHBDMM O=[N+]([O-])c1cccnc1NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474780253 995706391 /nfs/dbraw/zinc/70/63/91/995706391.db2.gz KLDYNGWAAIHOKY-UHFFFAOYSA-N -1 1 402.407 3.542 20 5 HHBDMM O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484254537 996661456 /nfs/dbraw/zinc/66/14/56/996661456.db2.gz LQEDAEARDQKJKM-QGZVFWFLSA-N -1 1 402.410 3.739 20 5 HHBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000484552096 996883862 /nfs/dbraw/zinc/88/38/62/996883862.db2.gz LJICLOGISFTPKF-UHFFFAOYSA-N -1 1 424.740 3.766 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000476823306 997381549 /nfs/dbraw/zinc/38/15/49/997381549.db2.gz PKUMCJMPXOPMNP-MRXNPFEDSA-N -1 1 411.393 3.592 20 5 HHBDMM COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1SC ZINC000477097121 997750867 /nfs/dbraw/zinc/75/08/67/997750867.db2.gz ILUPNVBAGGMHRJ-UHFFFAOYSA-N -1 1 400.416 3.673 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)cc1C ZINC000485395868 997823946 /nfs/dbraw/zinc/82/39/46/997823946.db2.gz HUZMFBHHPHYVRS-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM CCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000486847841 998970804 /nfs/dbraw/zinc/97/08/04/998970804.db2.gz SFEMKCOWRADYFE-UHFFFAOYSA-N -1 1 403.460 3.833 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000488818181 999617428 /nfs/dbraw/zinc/61/74/28/999617428.db2.gz BINFSMOCAMOPOQ-UHFFFAOYSA-N -1 1 423.647 3.628 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1[N+](=O)[O-] ZINC000491721537 1000093480 /nfs/dbraw/zinc/09/34/80/1000093480.db2.gz STVJAGJSGFEZAL-RBUKOAKNSA-N -1 1 420.487 3.695 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000504508847 1000241292 /nfs/dbraw/zinc/24/12/92/1000241292.db2.gz YXLSBWXVCSLOCK-UHFFFAOYSA-N -1 1 420.756 3.944 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000504513826 1000244146 /nfs/dbraw/zinc/24/41/46/1000244146.db2.gz PRTHHGJOEUWQOJ-UHFFFAOYSA-N -1 1 400.338 3.599 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000500472522 1003735398 /nfs/dbraw/zinc/73/53/98/1003735398.db2.gz UJCIQSJYBQFAGD-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000512124529 1004039707 /nfs/dbraw/zinc/03/97/07/1004039707.db2.gz SLWDATUVZXKHHM-UKRRQHHQSA-N -1 1 419.503 3.868 20 5 HHBDMM CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000512840462 1004600949 /nfs/dbraw/zinc/60/09/49/1004600949.db2.gz NTSDYTYXZFELLI-UHFFFAOYSA-N -1 1 410.430 3.835 20 5 HHBDMM Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000513621326 1005053389 /nfs/dbraw/zinc/05/33/89/1005053389.db2.gz DUPQLDRVYXCIHL-UHFFFAOYSA-N -1 1 416.146 3.605 20 5 HHBDMM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000513850194 1005157990 /nfs/dbraw/zinc/15/79/90/1005157990.db2.gz OTXGIMMBBMDZBE-JTQLQIEISA-N -1 1 411.892 3.767 20 5 HHBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1I ZINC000511616110 1005245656 /nfs/dbraw/zinc/24/56/56/1005245656.db2.gz YIKDNSFKKUULTL-UHFFFAOYSA-N -1 1 418.574 3.811 20 5 HHBDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000503295242 1005385398 /nfs/dbraw/zinc/38/53/98/1005385398.db2.gz HUFHGJRYLOADFU-HUUCEWRRSA-N -1 1 405.476 3.623 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1F ZINC000514955733 1006216486 /nfs/dbraw/zinc/21/64/86/1006216486.db2.gz DHZWNOUQRXACHQ-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000533228817 1007550875 /nfs/dbraw/zinc/55/08/75/1007550875.db2.gz BPYBIGWBCBWDOS-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SCCC(=O)OC)c1 ZINC000535892080 1007912472 /nfs/dbraw/zinc/91/24/72/1007912472.db2.gz OCOFYPCQUYHHMO-UHFFFAOYSA-N -1 1 424.500 3.613 20 5 HHBDMM Cc1ccc(NC(=O)c2ccc(N3CCC(c4n[n-]c(=O)o4)CC3)c([N+](=O)[O-])c2)cc1 ZINC000518023398 1008109609 /nfs/dbraw/zinc/10/96/09/1008109609.db2.gz QWAUBGKMLXTICL-UHFFFAOYSA-N -1 1 423.429 3.628 20 5 HHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1OC ZINC000539956967 1008205224 /nfs/dbraw/zinc/20/52/24/1008205224.db2.gz AXGALJJTTOCTDA-UHFFFAOYSA-N -1 1 420.365 3.740 20 5 HHBDMM COCCC(C)(C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000546053019 1009077489 /nfs/dbraw/zinc/07/74/89/1009077489.db2.gz IVEPCJMHZDYCDD-UHFFFAOYSA-N -1 1 407.492 3.870 20 5 HHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000546538530 1009560504 /nfs/dbraw/zinc/56/05/04/1009560504.db2.gz LHWDRHSTTOHWRT-UHFFFAOYSA-N -1 1 408.766 3.664 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c2ncccc12 ZINC000546627130 1009637412 /nfs/dbraw/zinc/63/74/12/1009637412.db2.gz YTDWTWXGABKNLQ-INIZCTEOSA-N -1 1 411.361 3.725 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551475737 1010610124 /nfs/dbraw/zinc/61/01/24/1010610124.db2.gz VUFATWCFYKDQBT-UHFFFAOYSA-N -1 1 401.238 3.557 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000541127302 1011784471 /nfs/dbraw/zinc/78/44/71/1011784471.db2.gz REYKFWFUPPHRFB-UHFFFAOYSA-N -1 1 416.402 3.860 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2cccc(Cl)c2)CC1 ZINC000523518596 1012043859 /nfs/dbraw/zinc/04/38/59/1012043859.db2.gz IESCDMAHODKYHI-UHFFFAOYSA-N -1 1 401.271 3.912 20 5 HHBDMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000524149444 1012936114 /nfs/dbraw/zinc/93/61/14/1012936114.db2.gz QLFILKSNPBISDA-UHFFFAOYSA-N -1 1 408.785 3.788 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl ZINC000760334828 1072253503 /nfs/dbraw/zinc/25/35/03/1072253503.db2.gz LFCXMERTASCJRW-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM Cc1cc2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2[nH]c1=O ZINC000590597717 1073933727 /nfs/dbraw/zinc/93/37/27/1073933727.db2.gz UBGAPXSLVMGAIF-UHFFFAOYSA-N -1 1 407.835 3.507 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649004866 1074066100 /nfs/dbraw/zinc/06/61/00/1074066100.db2.gz CENUMDJIKPMXSK-CYBMUJFWSA-N -1 1 421.375 3.716 20 5 HHBDMM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000302935726 971405187 /nfs/dbraw/zinc/40/51/87/971405187.db2.gz JBUJREALAFWRIQ-UHFFFAOYSA-N -1 1 411.458 3.629 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000006897778 960949480 /nfs/dbraw/zinc/94/94/80/960949480.db2.gz MFMJIQJYQSLZAH-UHFFFAOYSA-N -1 1 414.439 3.983 20 5 HHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1OC ZINC000007420509 961174045 /nfs/dbraw/zinc/17/40/45/961174045.db2.gz IRTPHAHRUADLHZ-UHFFFAOYSA-N -1 1 400.840 3.683 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000014868984 962594707 /nfs/dbraw/zinc/59/47/07/962594707.db2.gz NAFNHKSXXFHNNB-UHFFFAOYSA-N -1 1 405.457 3.836 20 5 HHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cc1OC ZINC000019358127 963363217 /nfs/dbraw/zinc/36/32/17/963363217.db2.gz CGGUUHNSFULMEJ-UHFFFAOYSA-N -1 1 414.443 3.697 20 5 HHBDMM CSc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000025071458 964164022 /nfs/dbraw/zinc/16/40/22/964164022.db2.gz VMEHXHCDPSZNGR-UHFFFAOYSA-N -1 1 400.456 3.757 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000027362704 964863676 /nfs/dbraw/zinc/86/36/76/964863676.db2.gz PUFJVYHNZYDRNT-UHFFFAOYSA-N -1 1 419.503 3.870 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000031722476 966096376 /nfs/dbraw/zinc/09/63/76/966096376.db2.gz MBPMQUODZYRXFV-UHFFFAOYSA-N -1 1 406.851 3.602 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)c1 ZINC000542730453 1013642246 /nfs/dbraw/zinc/64/22/46/1013642246.db2.gz XSDFQDOEJMFXBT-UHFFFAOYSA-N -1 1 423.878 3.558 20 5 HHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)c(Br)c(F)c1 ZINC000538093836 1013664352 /nfs/dbraw/zinc/66/43/52/1013664352.db2.gz JVQVXNFBEAJJMN-UHFFFAOYSA-N -1 1 421.219 3.620 20 5 HHBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000045572119 967500107 /nfs/dbraw/zinc/50/01/07/967500107.db2.gz DDXWNWUEEINVEY-UHFFFAOYSA-N -1 1 406.324 3.596 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(C)(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000216129677 970064182 /nfs/dbraw/zinc/06/41/82/970064182.db2.gz BBBHSBULAVQGEJ-UHFFFAOYSA-N -1 1 404.448 3.578 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000142075282 970141016 /nfs/dbraw/zinc/14/10/16/970141016.db2.gz DBFJTYQERBUVDB-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000322855591 972704759 /nfs/dbraw/zinc/70/47/59/972704759.db2.gz YFWIGXUYTSFZHZ-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccnc(N2CCc3ccccc3C2)c1 ZINC000427636512 975219019 /nfs/dbraw/zinc/21/90/19/975219019.db2.gz BZTXUHFONZNQJY-UHFFFAOYSA-N -1 1 424.482 3.662 20 5 HHBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430049685 977297037 /nfs/dbraw/zinc/29/70/37/977297037.db2.gz HSLLLHNPKLVKIY-UHFFFAOYSA-N -1 1 406.221 3.523 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N(Cc1cccnc1)C1CC1 ZINC000432135634 978690116 /nfs/dbraw/zinc/69/01/16/978690116.db2.gz KIOQBSBDTGOBAT-UHFFFAOYSA-N -1 1 424.482 3.960 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000432297632 978750596 /nfs/dbraw/zinc/75/05/96/978750596.db2.gz KLZOQOLZSGBWFP-ZDUSSCGKSA-N -1 1 406.357 3.748 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000432494451 978847841 /nfs/dbraw/zinc/84/78/41/978847841.db2.gz ODOSKGIDDHSHAD-UHFFFAOYSA-N -1 1 400.416 3.631 20 5 HHBDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000436195707 981244184 /nfs/dbraw/zinc/24/41/84/981244184.db2.gz DVCTWNRIDWBQCQ-MRVPVSSYSA-N -1 1 416.381 3.791 20 5 HHBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436955922 981645194 /nfs/dbraw/zinc/64/51/94/981645194.db2.gz NPQNYEQKWQAQJI-UHFFFAOYSA-N -1 1 423.391 3.667 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436961983 981649537 /nfs/dbraw/zinc/64/95/37/981649537.db2.gz WAFANCUGXYYTDZ-KZULUSFZSA-N -1 1 407.829 3.516 20 5 HHBDMM CC[C@H](SC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000437944200 982477395 /nfs/dbraw/zinc/47/73/95/982477395.db2.gz VJVLPOXBEISIGF-KRWDZBQOSA-N -1 1 423.516 3.784 20 5 HHBDMM COc1ccc(Sc2nsc([N-]C(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)cc1 ZINC000439843803 983555829 /nfs/dbraw/zinc/55/58/29/983555829.db2.gz RVQDTLBRNDXSFG-UHFFFAOYSA-N -1 1 406.420 3.998 20 5 HHBDMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000442321420 984821627 /nfs/dbraw/zinc/82/16/27/984821627.db2.gz GBELRFPCGKFFNL-UHFFFAOYSA-N -1 1 403.441 3.709 20 5 HHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)c1 ZINC000442325106 984826571 /nfs/dbraw/zinc/82/65/71/984826571.db2.gz QVABTHSPZGCYFU-HHHXNRCGSA-N -1 1 422.528 3.977 20 5 HHBDMM CCOc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c([N+](=O)[O-])cc1OC ZINC000443565763 985740077 /nfs/dbraw/zinc/74/00/77/985740077.db2.gz ITDHHKFDYWSKHX-UHFFFAOYSA-N -1 1 416.308 3.859 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cccc(CO)c1 ZINC000468709588 986423880 /nfs/dbraw/zinc/42/38/80/986423880.db2.gz MUQSGPXMCKLULC-UHFFFAOYSA-N -1 1 413.455 3.500 20 5 HHBDMM C[C@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445013159 987145194 /nfs/dbraw/zinc/14/51/94/987145194.db2.gz TVOJUEHSOMUVTM-RMLUDKJBSA-N -1 1 424.276 3.671 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H](CCO)c1ccco1 ZINC000469563555 987233226 /nfs/dbraw/zinc/23/32/26/987233226.db2.gz KCMZZYJDUHZDCF-QGZVFWFLSA-N -1 1 417.443 3.524 20 5 HHBDMM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000445210898 987279109 /nfs/dbraw/zinc/27/91/09/987279109.db2.gz OCVZBYIZSMFCFA-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2)cs1 ZINC000471116766 989221029 /nfs/dbraw/zinc/22/10/29/989221029.db2.gz OYHOZMIQGDEKPF-UHFFFAOYSA-N -1 1 419.440 3.526 20 5 HHBDMM CC[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000471453813 989640480 /nfs/dbraw/zinc/64/04/80/989640480.db2.gz VWNPYFZEQNAKEJ-LLVKDONJSA-N -1 1 414.245 3.932 20 5 HHBDMM COC[C@@H]1CCCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000466619599 991935030 /nfs/dbraw/zinc/93/50/30/991935030.db2.gz QJPSNRIKRIMKQF-MRXNPFEDSA-N -1 1 419.503 3.649 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(Br)c1 ZINC000466974586 992286615 /nfs/dbraw/zinc/28/66/15/992286615.db2.gz LJROKFHTMPHEKN-UHFFFAOYSA-N -1 1 407.267 3.537 20 5 HHBDMM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000467795163 993030345 /nfs/dbraw/zinc/03/03/45/993030345.db2.gz BLNLMWKASAJPAK-DOTOQJQBSA-N -1 1 410.879 3.755 20 5 HHBDMM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])co2)cc1 ZINC000481041788 993886055 /nfs/dbraw/zinc/88/60/55/993886055.db2.gz SOQMJONUCJQTNP-UHFFFAOYSA-N -1 1 401.444 3.654 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(NC(=O)NC(C)C)cc1 ZINC000481963704 994851409 /nfs/dbraw/zinc/85/14/09/994851409.db2.gz KWKCNXDVCRIAPU-UHFFFAOYSA-N -1 1 406.464 3.542 20 5 HHBDMM Cc1c(Br)cc(S(=O)(=O)[N-]c2ncccc2Cl)cc1[N+](=O)[O-] ZINC000481991314 994891487 /nfs/dbraw/zinc/89/14/87/994891487.db2.gz SABMCTWGVHOCBU-UHFFFAOYSA-N -1 1 406.645 3.515 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC(F)(F)F ZINC000482045995 994968478 /nfs/dbraw/zinc/96/84/78/994968478.db2.gz IGDCSTBMLFWRRI-UHFFFAOYSA-N -1 1 420.365 3.654 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1[N+](=O)[O-] ZINC000485044750 997408941 /nfs/dbraw/zinc/40/89/41/997408941.db2.gz XHIZDKSRDZEOSO-UHFFFAOYSA-N -1 1 409.851 3.632 20 5 HHBDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1C ZINC000485395115 997824143 /nfs/dbraw/zinc/82/41/43/997824143.db2.gz CMURMSKCKJYWQW-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478566542 999027680 /nfs/dbraw/zinc/02/76/80/999027680.db2.gz QCLZBGHSQXJDRF-ACJLOTCBSA-N -1 1 407.829 3.516 20 5 HHBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000488264294 999415597 /nfs/dbraw/zinc/41/55/97/999415597.db2.gz OXWCUJHIIPMQEQ-UHFFFAOYSA-N -1 1 404.803 3.595 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1[N+](=O)[O-] ZINC000480199428 999742976 /nfs/dbraw/zinc/74/29/76/999742976.db2.gz VFMMYKPOBMYNEB-UHFFFAOYSA-N -1 1 412.851 3.827 20 5 HHBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000490368193 999945864 /nfs/dbraw/zinc/94/58/64/999945864.db2.gz NGDATGSXOXMDJI-UHFFFAOYSA-N -1 1 410.777 3.941 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000491575314 1000084955 /nfs/dbraw/zinc/08/49/55/1000084955.db2.gz ZGQNJUUUHNJXNW-UHFFFAOYSA-N -1 1 424.438 3.948 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1[N+](=O)[O-] ZINC000493311816 1000168592 /nfs/dbraw/zinc/16/85/92/1000168592.db2.gz VNYONUWEMVETOL-UHFFFAOYSA-N -1 1 424.438 3.948 20 5 HHBDMM COc1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c([N+](=O)[O-])cc1OC ZINC000504558724 1000269118 /nfs/dbraw/zinc/26/91/18/1000269118.db2.gz IZVXXDSXALIRQK-UHFFFAOYSA-N -1 1 406.464 3.839 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1[N+](=O)[O-] ZINC000505303907 1000686849 /nfs/dbraw/zinc/68/68/49/1000686849.db2.gz CZMKFOQKFVJWPH-UHFFFAOYSA-N -1 1 401.400 3.592 20 5 HHBDMM CCOC[C@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000505768533 1001013606 /nfs/dbraw/zinc/01/36/06/1001013606.db2.gz JKLWYVVLRNPKDF-INIZCTEOSA-N -1 1 419.503 3.649 20 5 HHBDMM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cs1 ZINC000497935296 1001570822 /nfs/dbraw/zinc/57/08/22/1001570822.db2.gz AKIIDXNITAWLOC-UHFFFAOYSA-N -1 1 403.913 3.523 20 5 HHBDMM Cc1sc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc1-c1ccc(Cl)cc1 ZINC000507920946 1002455717 /nfs/dbraw/zinc/45/57/17/1002455717.db2.gz VQSFPNYTTJIFBP-UHFFFAOYSA-N -1 1 404.835 3.711 20 5 HHBDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000508094644 1002619739 /nfs/dbraw/zinc/61/97/39/1002619739.db2.gz MCHFAJOVLHTDHF-UHFFFAOYSA-N -1 1 412.851 3.761 20 5 HHBDMM CCOc1cc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)c([N+](=O)[O-])cc1OC ZINC000509285059 1003681246 /nfs/dbraw/zinc/68/12/46/1003681246.db2.gz JCUXROWCTJFYKK-UHFFFAOYSA-N -1 1 420.443 3.748 20 5 HHBDMM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])co2)cc1 ZINC000509728788 1004056068 /nfs/dbraw/zinc/05/60/68/1004056068.db2.gz IUFFLNPOFIVSHO-UHFFFAOYSA-N -1 1 421.862 3.733 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4cccc([N+](=O)[O-])c4)nc3c2)cc1 ZINC000511193165 1005068450 /nfs/dbraw/zinc/06/84/50/1005068450.db2.gz STQBQCWSGSNGOZ-UHFFFAOYSA-N -1 1 424.438 3.948 20 5 HHBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccco1 ZINC000511676514 1005272174 /nfs/dbraw/zinc/27/21/74/1005272174.db2.gz WGNZHDKSZJQCNC-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000503295243 1005385376 /nfs/dbraw/zinc/38/53/76/1005385376.db2.gz HUFHGJRYLOADFU-LSDHHAIUSA-N -1 1 405.476 3.623 20 5 HHBDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)cc2[nH]1 ZINC000531195243 1006038900 /nfs/dbraw/zinc/03/89/00/1006038900.db2.gz JGJFWWQCRGBOOQ-UHFFFAOYSA-N -1 1 404.448 3.623 20 5 HHBDMM CCc1onc(C)c1[N-]C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000534775879 1006774391 /nfs/dbraw/zinc/77/43/91/1006774391.db2.gz AUIAFYPTRSRYGN-UHFFFAOYSA-N -1 1 418.431 3.750 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000532327160 1006795100 /nfs/dbraw/zinc/79/51/00/1006795100.db2.gz RTOJZGTWTXRPKF-UHFFFAOYSA-N -1 1 404.448 3.578 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)c([N+](=O)[O-])n1 ZINC000532856257 1007244747 /nfs/dbraw/zinc/24/47/47/1007244747.db2.gz PFPXJXGXEIUWTG-CQSZACIVSA-N -1 1 420.413 3.506 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCSCC3)cc2C)c([N+](=O)[O-])c1 ZINC000539234945 1007528761 /nfs/dbraw/zinc/52/87/61/1007528761.db2.gz XWZNLNRGYYQSNV-UHFFFAOYSA-N -1 1 421.544 3.561 20 5 HHBDMM COc1ccc([N-]C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)c([N+](=O)[O-])c1 ZINC000539945591 1008198787 /nfs/dbraw/zinc/19/87/87/1008198787.db2.gz WORQBKYZRMCCKQ-UHFFFAOYSA-N -1 1 411.370 3.625 20 5 HHBDMM CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000518660175 1008382875 /nfs/dbraw/zinc/38/28/75/1008382875.db2.gz AAFMYOJFNINPCU-UHFFFAOYSA-N -1 1 406.338 3.519 20 5 HHBDMM CSC[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000519513854 1008888767 /nfs/dbraw/zinc/88/87/67/1008888767.db2.gz ZVHXXWWMIHIZSA-CYBMUJFWSA-N -1 1 423.516 3.642 20 5 HHBDMM O=C(Nc1ccc(Br)cc1[O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000520378860 1009515591 /nfs/dbraw/zinc/51/55/91/1009515591.db2.gz WOGSZPBMJOGHPX-UHFFFAOYSA-N -1 1 404.176 3.569 20 5 HHBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc2ccccc2n1-c1ccccc1 ZINC000544740407 1010346002 /nfs/dbraw/zinc/34/60/02/1010346002.db2.gz CLJAJADSDQNBDB-UHFFFAOYSA-N -1 1 408.439 3.876 20 5 HHBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000521761594 1010598225 /nfs/dbraw/zinc/59/82/25/1010598225.db2.gz VWCPAGAVOJSHDN-UHFFFAOYSA-N -1 1 401.238 3.557 20 5 HHBDMM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000523459582 1011962546 /nfs/dbraw/zinc/96/25/46/1011962546.db2.gz LRVFFOXIQXFOIM-UHFFFAOYSA-N -1 1 421.544 3.561 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)c1 ZINC000541798658 1012675032 /nfs/dbraw/zinc/67/50/32/1012675032.db2.gz IKHBWBHXQDJPHK-UHFFFAOYSA-N -1 1 405.476 3.541 20 5 HHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3c(c2)nc2n3CCCCC2)s1 ZINC000542103896 1013036443 /nfs/dbraw/zinc/03/64/43/1013036443.db2.gz QKCBJYAKTMPTSB-UHFFFAOYSA-N -1 1 406.489 3.880 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)ccc1Br ZINC000760334602 1072253917 /nfs/dbraw/zinc/25/39/17/1072253917.db2.gz JQAHJFKVDDZCLA-UHFFFAOYSA-N -1 1 423.191 3.760 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1F ZINC000760337974 1072256218 /nfs/dbraw/zinc/25/62/18/1072256218.db2.gz DTGWSCFWHLFJMO-UHFFFAOYSA-N -1 1 416.814 3.658 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC(C)C ZINC000760525942 1072552582 /nfs/dbraw/zinc/55/25/82/1072552582.db2.gz RONLAJBJPRNKTD-UHFFFAOYSA-N -1 1 400.840 3.845 20 5 HHBDMM CCc1nocc1CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000555224850 1073264241 /nfs/dbraw/zinc/26/42/41/1073264241.db2.gz KXBMLYCDBPVGAI-UHFFFAOYSA-N -1 1 416.459 3.582 20 5 HHBDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000760854683 1074468925 /nfs/dbraw/zinc/46/89/25/1074468925.db2.gz CKVNLOQICVLXQM-UHFFFAOYSA-N -1 1 401.419 3.620 20 5 HHBDMM Cc1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001212171843 1075113364 /nfs/dbraw/zinc/11/33/64/1075113364.db2.gz MLGIVKHGNLBAQO-AWEZNQCLSA-N -1 1 410.320 3.763 20 5 HHBDMM Cc1ccc(F)cc1S(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001212171844 1075113375 /nfs/dbraw/zinc/11/33/75/1075113375.db2.gz MLGIVKHGNLBAQO-CQSZACIVSA-N -1 1 410.320 3.763 20 5 HHBDMM C[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000301285618 970849208 /nfs/dbraw/zinc/84/92/08/970849208.db2.gz OEIPFYNLURQWAW-UWVGGRQHSA-N -1 1 404.345 3.723 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@@H](O)c1ccsc1 ZINC000301388156 970901359 /nfs/dbraw/zinc/90/13/59/970901359.db2.gz XBFATMOJZDVBNI-GOSISDBHSA-N -1 1 419.484 3.603 20 5 HHBDMM CC[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCS1 ZINC000301461025 970941123 /nfs/dbraw/zinc/94/11/23/970941123.db2.gz ULKXUDGKHUVPQU-OAHLLOKOSA-N -1 1 407.517 3.727 20 5 HHBDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000301665078 971020417 /nfs/dbraw/zinc/02/04/17/971020417.db2.gz LPBBELSIICLDJY-AWEZNQCLSA-N -1 1 405.476 3.623 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1[N+](=O)[O-] ZINC000028251432 965063409 /nfs/dbraw/zinc/06/34/09/965063409.db2.gz WFOSPWNKUIHEFN-UHFFFAOYSA-N -1 1 409.851 3.706 20 5 HHBDMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc21 ZINC000538015858 1013588371 /nfs/dbraw/zinc/58/83/71/1013588371.db2.gz VMIYQMKLJOSSSM-UHFFFAOYSA-N -1 1 417.487 3.702 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)c1 ZINC000542728921 1013640876 /nfs/dbraw/zinc/64/08/76/1013640876.db2.gz MHLIPVGMQOHBIV-UHFFFAOYSA-N -1 1 413.455 3.986 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000047417185 968183109 /nfs/dbraw/zinc/18/31/09/968183109.db2.gz HHEGGIPYXRFHTG-UHFFFAOYSA-N -1 1 408.486 3.707 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000097513495 969150318 /nfs/dbraw/zinc/15/03/18/969150318.db2.gz XWFPGVCCONWQTA-MRVPVSSYSA-N -1 1 421.219 3.675 20 5 HHBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000427808655 975301864 /nfs/dbraw/zinc/30/18/64/975301864.db2.gz QRNNTCXRQKNHPS-GOSISDBHSA-N -1 1 422.846 3.918 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)(F)F)cc2)cc1[N+](=O)[O-] ZINC000429477344 976741033 /nfs/dbraw/zinc/74/10/33/976741033.db2.gz PWBFIHTWFLJJKO-UHFFFAOYSA-N -1 1 413.402 3.688 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000435595275 980953990 /nfs/dbraw/zinc/95/39/90/980953990.db2.gz ZPPLUYHAUMFMIO-MQMHXKEQSA-N -1 1 411.277 3.582 20 5 HHBDMM COc1cccc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c1[N+](=O)[O-] ZINC000435806599 981038929 /nfs/dbraw/zinc/03/89/29/981038929.db2.gz GAQZZGRYYCCLSA-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM COc1ccc(Sc2nsc([N-]C(=O)c3cccc(OC)c3[N+](=O)[O-])n2)cc1 ZINC000435815121 981042911 /nfs/dbraw/zinc/04/29/11/981042911.db2.gz AZFHUVYCKFFBJO-UHFFFAOYSA-N -1 1 418.456 3.867 20 5 HHBDMM COc1cc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])cc([N+](=O)[O-])c1O ZINC000436799711 981567611 /nfs/dbraw/zinc/56/76/11/981567611.db2.gz YYQGXHUMQCXEOU-QPEQYQDCSA-N -1 1 421.409 3.541 20 5 HHBDMM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(SCCC(=O)[O-])c1 ZINC000460452587 982246697 /nfs/dbraw/zinc/24/66/97/982246697.db2.gz RDUGSHMYDTUWBE-UHFFFAOYSA-N -1 1 424.500 3.888 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1C ZINC000461117437 982810989 /nfs/dbraw/zinc/81/09/89/982810989.db2.gz UWBXOCOGNUTIBY-VWLOTQADSA-N -1 1 416.908 3.544 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(-c2ccccn2)c1 ZINC000438945378 983170983 /nfs/dbraw/zinc/17/09/83/983170983.db2.gz TYAHLMPXWUYUOD-UHFFFAOYSA-N -1 1 403.847 3.789 20 5 HHBDMM CC[C@@H](C[C@@H](C)CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000439717386 983514015 /nfs/dbraw/zinc/51/40/15/983514015.db2.gz UJVOPZVXZYLYBC-CABCVRRESA-N -1 1 407.492 3.605 20 5 HHBDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)n1 ZINC000441710995 984409554 /nfs/dbraw/zinc/40/95/54/984409554.db2.gz ALYLVKVOPSMBEW-UHFFFAOYSA-N -1 1 414.443 3.903 20 5 HHBDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1 ZINC000441759539 984434664 /nfs/dbraw/zinc/43/46/64/984434664.db2.gz BSELFSLFGMCFDF-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1C ZINC000442231638 984751257 /nfs/dbraw/zinc/75/12/57/984751257.db2.gz AXNREYBWNOCQFB-RTBURBONSA-N -1 1 420.487 3.695 20 5 HHBDMM CCCCC1CCC(c2cc([N-]S(=O)(=O)c3cn(CC)nc3[N+](=O)[O-])[nH]n2)CC1 ZINC000443421669 985578907 /nfs/dbraw/zinc/57/89/07/985578907.db2.gz YWOPDBJPNJTCBU-UHFFFAOYSA-N -1 1 424.527 3.799 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)ccc1[O-] ZINC000443534222 985705282 /nfs/dbraw/zinc/70/52/82/985705282.db2.gz YOAVQDMZSQALFS-UHFFFAOYSA-N -1 1 424.328 3.572 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(S[C@H](C)[C@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000463015733 985971799 /nfs/dbraw/zinc/97/17/99/985971799.db2.gz WOJFUWSTPKPFQH-UONOGXRCSA-N -1 1 410.517 3.874 20 5 HHBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000444377471 986553499 /nfs/dbraw/zinc/55/34/99/986553499.db2.gz WRJKXCVQRNJFSF-UHFFFAOYSA-N -1 1 401.394 3.754 20 5 HHBDMM COc1ccccc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000444994922 987123955 /nfs/dbraw/zinc/12/39/55/987123955.db2.gz FVYBMSGIEOCVDU-SFHVURJKSA-N -1 1 413.817 3.877 20 5 HHBDMM COc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2Cl)cc1 ZINC000444997512 987127427 /nfs/dbraw/zinc/12/74/27/987127427.db2.gz OMCAMDOOXCYCSN-GOSISDBHSA-N -1 1 413.817 3.877 20 5 HHBDMM O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445207038 987276322 /nfs/dbraw/zinc/27/63/22/987276322.db2.gz BBSFEMVCLXRFQK-CYBMUJFWSA-N -1 1 414.418 3.765 20 5 HHBDMM COc1cc(-c2noc(CCc3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000445397813 987454709 /nfs/dbraw/zinc/45/47/09/987454709.db2.gz MIRMVZICRGYTFY-UHFFFAOYSA-N -1 1 420.219 3.907 20 5 HHBDMM O=c1oc2cc([N+](=O)[O-])ccc2n1CCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445446474 987516610 /nfs/dbraw/zinc/51/66/10/987516610.db2.gz LUKOTTDTAAIVFN-UHFFFAOYSA-N -1 1 416.777 3.545 20 5 HHBDMM CC[C@@H](CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccc(Cl)c(Cl)c1 ZINC000470724739 988752680 /nfs/dbraw/zinc/75/26/80/988752680.db2.gz WCNMPAAJWODRIJ-NSHDSACASA-N -1 1 414.245 3.932 20 5 HHBDMM CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471113822 989216916 /nfs/dbraw/zinc/21/69/16/989216916.db2.gz QHRXJBTXHLGQBY-UHFFFAOYSA-N -1 1 416.864 3.859 20 5 HHBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1nc(C(F)(F)F)cs1 ZINC000467063885 992371642 /nfs/dbraw/zinc/37/16/42/992371642.db2.gz LHDDWACDOAHAEM-ZETCQYMHSA-N -1 1 415.440 3.870 20 5 HHBDMM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000473340058 994202810 /nfs/dbraw/zinc/20/28/10/994202810.db2.gz PFDJOLUFKRUOSE-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM CCSc1cccc(F)c1[N-]C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000484925720 997300474 /nfs/dbraw/zinc/30/04/74/997300474.db2.gz ORRHROIIZSNKAW-UHFFFAOYSA-N -1 1 417.418 3.752 20 5 HHBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000484961083 997337792 /nfs/dbraw/zinc/33/77/92/997337792.db2.gz ASGKIWKEEDKFGZ-UHFFFAOYSA-N -1 1 400.260 3.822 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC000477255688 997931577 /nfs/dbraw/zinc/93/15/77/997931577.db2.gz VZASQVGDBJBHGU-LBPRGKRZSA-N -1 1 404.416 3.614 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)cc1[N+](=O)[O-] ZINC000486133641 998581594 /nfs/dbraw/zinc/58/15/94/998581594.db2.gz ZESHCCASBWTVQU-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000488261526 999414661 /nfs/dbraw/zinc/41/46/61/999414661.db2.gz XPVQQCYBYIWFAU-UHFFFAOYSA-N -1 1 418.830 3.984 20 5 HHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3c(F)cccc3F)n2)cc1SC ZINC000479758909 999576079 /nfs/dbraw/zinc/57/60/79/999576079.db2.gz YZVCLALQMVYLGF-UHFFFAOYSA-N -1 1 421.385 3.641 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1[N+](=O)[O-] ZINC000480211692 999746610 /nfs/dbraw/zinc/74/66/10/999746610.db2.gz YKJJUBWNBSYFHJ-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1[N+](=O)[O-] ZINC000491571967 1000084683 /nfs/dbraw/zinc/08/46/83/1000084683.db2.gz JKJBCSOQVIVPNU-KRWDZBQOSA-N -1 1 416.459 3.740 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000491584012 1000086024 /nfs/dbraw/zinc/08/60/24/1000086024.db2.gz PCANXBOEEARWES-KRWDZBQOSA-N -1 1 406.460 3.570 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000491609631 1000090240 /nfs/dbraw/zinc/09/02/40/1000090240.db2.gz JCCIYOPQTQTFSV-UHFFFAOYSA-N -1 1 417.487 3.685 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1[N+](=O)[O-] ZINC000491720762 1000093304 /nfs/dbraw/zinc/09/33/04/1000093304.db2.gz OUPKJGOQZOMOMP-UHFFFAOYSA-N -1 1 414.443 3.940 20 5 HHBDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1)C1CC1 ZINC000491822207 1000095791 /nfs/dbraw/zinc/09/57/91/1000095791.db2.gz URZLOZRSBYMXDL-UHFFFAOYSA-N -1 1 417.487 3.523 20 5 HHBDMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000494307361 1000423812 /nfs/dbraw/zinc/42/38/12/1000423812.db2.gz FJDHKZSGVJMQSE-QMMMGPOBSA-N -1 1 419.219 3.757 20 5 HHBDMM CCOC[C@@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000505768534 1001013581 /nfs/dbraw/zinc/01/35/81/1001013581.db2.gz JKLWYVVLRNPKDF-MRXNPFEDSA-N -1 1 419.503 3.649 20 5 HHBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Br)c1 ZINC000507826436 1002369952 /nfs/dbraw/zinc/36/99/52/1002369952.db2.gz BEDHGSSXVAAFKE-UHFFFAOYSA-N -1 1 419.322 3.675 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c(F)c1 ZINC000507906901 1002441202 /nfs/dbraw/zinc/44/12/02/1002441202.db2.gz DOWVOPQQIWZSJR-ZDUSSCGKSA-N -1 1 410.320 3.845 20 5 HHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508090909 1002614307 /nfs/dbraw/zinc/61/43/07/1002614307.db2.gz YOUOVRSVWLCLAY-UHFFFAOYSA-N -1 1 406.645 3.515 20 5 HHBDMM CC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCOCC1 ZINC000499705014 1003054153 /nfs/dbraw/zinc/05/41/53/1003054153.db2.gz MTOJPTCFWHLCCG-UHFFFAOYSA-N -1 1 405.476 3.624 20 5 HHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cc([N+](=O)[O-])c1 ZINC000509091169 1003545839 /nfs/dbraw/zinc/54/58/39/1003545839.db2.gz YYYVIPOFCSDHJY-UHFFFAOYSA-N -1 1 418.349 3.509 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)c1C ZINC000500329169 1003628359 /nfs/dbraw/zinc/62/83/59/1003628359.db2.gz UFKCAHCOKXRLKF-UHFFFAOYSA-N -1 1 417.487 3.557 20 5 HHBDMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000512566112 1004389249 /nfs/dbraw/zinc/38/92/49/1004389249.db2.gz RVZWUHVVFADTCP-UHFFFAOYSA-N -1 1 409.299 3.714 20 5 HHBDMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1csc([N+](=O)[O-])c1 ZINC000515793722 1006676536 /nfs/dbraw/zinc/67/65/36/1006676536.db2.gz PXHJAFISHOBAJB-UHFFFAOYSA-N -1 1 421.431 3.849 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Br)c1 ZINC000533327473 1007638825 /nfs/dbraw/zinc/63/88/25/1007638825.db2.gz OPWAKYMNWTWNSF-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(F)ccc21 ZINC000539637224 1007954421 /nfs/dbraw/zinc/95/44/21/1007954421.db2.gz KPJPTIOYUDNLPZ-CYBMUJFWSA-N -1 1 400.815 3.580 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3ccc(F)cc3)cc2)c([N+](=O)[O-])n1 ZINC000539859874 1008145084 /nfs/dbraw/zinc/14/50/84/1008145084.db2.gz WAMBANMZODMXCB-CYBMUJFWSA-N -1 1 418.450 3.657 20 5 HHBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cc2)n[nH]1 ZINC000543660815 1009269323 /nfs/dbraw/zinc/26/93/23/1009269323.db2.gz BECUVGMMYZXCTL-UHFFFAOYSA-N -1 1 402.432 3.836 20 5 HHBDMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000520285618 1009405888 /nfs/dbraw/zinc/40/58/88/1009405888.db2.gz UPARZLOEBUCXGE-UHFFFAOYSA-N -1 1 414.281 3.533 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c2ncccc12 ZINC000546627131 1009637158 /nfs/dbraw/zinc/63/71/58/1009637158.db2.gz YTDWTWXGABKNLQ-MRXNPFEDSA-N -1 1 411.361 3.725 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000544645724 1010270636 /nfs/dbraw/zinc/27/06/36/1010270636.db2.gz RJJKHDARXSNLQN-UHFFFAOYSA-N -1 1 422.503 3.874 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000521937297 1010724782 /nfs/dbraw/zinc/72/47/82/1010724782.db2.gz ZNIRNCVQPZKLPI-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM CCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n[nH]c1-c1ccc(Br)cc1 ZINC000522038675 1010770774 /nfs/dbraw/zinc/77/07/74/1010770774.db2.gz MRMRFQVJJYHPLL-UHFFFAOYSA-N -1 1 404.224 3.890 20 5 HHBDMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000523130164 1011598616 /nfs/dbraw/zinc/59/86/16/1011598616.db2.gz MSGWOVXFGALFLT-UHFFFAOYSA-N -1 1 423.450 3.599 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000541826072 1012712614 /nfs/dbraw/zinc/71/26/14/1012712614.db2.gz QSGPZCHPUSRTTQ-AWEZNQCLSA-N -1 1 424.784 3.839 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541831991 1012718371 /nfs/dbraw/zinc/71/83/71/1012718371.db2.gz WLVNGUKFQWJRMZ-CZUORRHYSA-N -1 1 414.842 3.586 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000488223659 1072145517 /nfs/dbraw/zinc/14/55/17/1072145517.db2.gz ATBMXBKZXZKULM-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000488238151 1072154023 /nfs/dbraw/zinc/15/40/23/1072154023.db2.gz SXRNQDAATSREHZ-UHFFFAOYSA-N -1 1 412.292 3.701 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1[N+](=O)[O-] ZINC000602079423 1075695892 /nfs/dbraw/zinc/69/58/92/1075695892.db2.gz HPGURYCJIAXDEI-UHFFFAOYSA-N -1 1 424.866 3.641 20 5 HHBDMM C[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000301285620 970849190 /nfs/dbraw/zinc/84/91/90/970849190.db2.gz OEIPFYNLURQWAW-ZJUUUORDSA-N -1 1 404.345 3.723 20 5 HHBDMM C[C@@H](c1ccccn1)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000302003528 971149730 /nfs/dbraw/zinc/14/97/30/971149730.db2.gz YEFSMZAZLGXOKA-HNNXBMFYSA-N -1 1 412.471 3.988 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000302187451 971202303 /nfs/dbraw/zinc/20/23/03/971202303.db2.gz WFIRPVGSFJUVFX-OXQOHEQNSA-N -1 1 417.487 3.765 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000303218305 971565582 /nfs/dbraw/zinc/56/55/82/971565582.db2.gz UHNPCGNQJACEAB-UHFFFAOYSA-N -1 1 419.684 3.532 20 5 HHBDMM Cc1c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000008033535 961405911 /nfs/dbraw/zinc/40/59/11/961405911.db2.gz OLKOMEHASDPBTF-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000015390233 962744702 /nfs/dbraw/zinc/74/47/02/962744702.db2.gz JTYDZFLPDUGVCE-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000021363436 963455900 /nfs/dbraw/zinc/45/59/00/963455900.db2.gz VPMQMKGQPHYKSZ-UHFFFAOYSA-N -1 1 420.365 3.909 20 5 HHBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 ZINC000057115573 965287137 /nfs/dbraw/zinc/28/71/37/965287137.db2.gz KDRZJHWMOZYMPP-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029250687 965319582 /nfs/dbraw/zinc/31/95/82/965319582.db2.gz DLKAGCHWERYROG-UHFFFAOYSA-N -1 1 423.450 3.599 20 5 HHBDMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029890897 965544069 /nfs/dbraw/zinc/54/40/69/965544069.db2.gz VHJHDPOMLCIVKS-UHFFFAOYSA-N -1 1 423.450 3.599 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000029965115 965578020 /nfs/dbraw/zinc/57/80/20/965578020.db2.gz COUOCQQSHXBXGG-LBPRGKRZSA-N -1 1 402.856 3.903 20 5 HHBDMM CC(C)(C)c1nnc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000055977334 966164403 /nfs/dbraw/zinc/16/44/03/966164403.db2.gz SDRLYWYIYPMWQO-UHFFFAOYSA-N -1 1 404.370 3.937 20 5 HHBDMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000032096231 966192691 /nfs/dbraw/zinc/19/26/91/966192691.db2.gz BCFVRIKUVDEKEZ-UHFFFAOYSA-N -1 1 421.866 3.636 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)c1 ZINC000542733127 1013645337 /nfs/dbraw/zinc/64/53/37/1013645337.db2.gz GXVQLLWSAPLAMU-UHFFFAOYSA-N -1 1 420.487 3.879 20 5 HHBDMM Cc1sc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000063497078 966875651 /nfs/dbraw/zinc/87/56/51/966875651.db2.gz PUURNBBGMWKBFI-UHFFFAOYSA-N -1 1 408.237 3.765 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1[N+](=O)[O-] ZINC000047417164 968182868 /nfs/dbraw/zinc/18/28/68/968182868.db2.gz OEBFFLYIXDAJOB-UHFFFAOYSA-N -1 1 408.486 3.707 20 5 HHBDMM COc1cc(C)c([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC ZINC000146809616 970309452 /nfs/dbraw/zinc/30/94/52/970309452.db2.gz RDZKWPULVLPGNV-NSHDSACASA-N -1 1 414.867 3.613 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)cc1[N+](=O)[O-] ZINC000410340520 973925288 /nfs/dbraw/zinc/92/52/88/973925288.db2.gz PFKWYMNFBPMXHZ-UHFFFAOYSA-N -1 1 405.457 3.836 20 5 HHBDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000410419127 974016788 /nfs/dbraw/zinc/01/67/88/974016788.db2.gz PKMGQNBVVSJJIR-UHFFFAOYSA-N -1 1 400.460 3.721 20 5 HHBDMM O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1F ZINC000427300157 975036319 /nfs/dbraw/zinc/03/63/19/975036319.db2.gz CADAQSXOLGUCKJ-UHFFFAOYSA-N -1 1 409.178 3.540 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cc1C ZINC000432964801 979027101 /nfs/dbraw/zinc/02/71/01/979027101.db2.gz BWUTWTQONWDZGM-OAHLLOKOSA-N -1 1 406.357 3.775 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c1[N+](=O)[O-] ZINC000432966101 979027712 /nfs/dbraw/zinc/02/77/12/979027712.db2.gz JJYNRUQVHSUQTH-CYBMUJFWSA-N -1 1 406.357 3.775 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000435967728 981120686 /nfs/dbraw/zinc/12/06/86/981120686.db2.gz UOOUYBFTDPZKMH-ZDUSSCGKSA-N -1 1 410.199 3.574 20 5 HHBDMM CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cc(Br)c1[O-] ZINC000436779424 981558102 /nfs/dbraw/zinc/55/81/02/981558102.db2.gz WIWUFGMZSDFHOO-UHFFFAOYSA-N -1 1 421.207 3.882 20 5 HHBDMM CSc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1[N+](=O)[O-] ZINC000436922355 981626191 /nfs/dbraw/zinc/62/61/91/981626191.db2.gz ZYSPITSTEIPHTE-UHFFFAOYSA-N -1 1 405.823 3.713 20 5 HHBDMM CSc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000436922355 981626194 /nfs/dbraw/zinc/62/61/94/981626194.db2.gz ZYSPITSTEIPHTE-UHFFFAOYSA-N -1 1 405.823 3.713 20 5 HHBDMM COc1ccc([O-])c(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1 ZINC000436941954 981636408 /nfs/dbraw/zinc/63/64/08/981636408.db2.gz GZNCUXNANITBOU-UHFFFAOYSA-N -1 1 406.192 3.712 20 5 HHBDMM Cc1cc(-c2ncccc2NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cs1 ZINC000437656896 982274115 /nfs/dbraw/zinc/27/41/15/982274115.db2.gz KHBFOHVJSKUQDB-UHFFFAOYSA-N -1 1 405.457 3.842 20 5 HHBDMM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000461060316 982758046 /nfs/dbraw/zinc/75/80/46/982758046.db2.gz DJRBLMILMJBRRT-UHFFFAOYSA-N -1 1 401.762 3.942 20 5 HHBDMM CC[C@@H](C[C@H](C)CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000439717387 983513925 /nfs/dbraw/zinc/51/39/25/983513925.db2.gz UJVOPZVXZYLYBC-GJZGRUSLSA-N -1 1 407.492 3.605 20 5 HHBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000462396127 985375324 /nfs/dbraw/zinc/37/53/24/985375324.db2.gz NVRPYNYQUYKMFZ-CQSZACIVSA-N -1 1 401.897 3.751 20 5 HHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)c1 ZINC000443414857 985570758 /nfs/dbraw/zinc/57/07/58/985570758.db2.gz JOMQYIBVISGCDH-UHFFFAOYSA-N -1 1 410.757 3.990 20 5 HHBDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463778039 986768390 /nfs/dbraw/zinc/76/83/90/986768390.db2.gz LPGKLDNJZDTCAI-UHFFFAOYSA-N -1 1 404.423 3.903 20 5 HHBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)n[nH]1 ZINC000469164827 986889582 /nfs/dbraw/zinc/88/95/82/986889582.db2.gz ZEARFAJANBDPJM-UHFFFAOYSA-N -1 1 402.432 3.836 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000469354338 987056449 /nfs/dbraw/zinc/05/64/49/987056449.db2.gz YNEKGXDPZNSBMO-UHFFFAOYSA-N -1 1 402.432 3.548 20 5 HHBDMM C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445013157 987145244 /nfs/dbraw/zinc/14/52/44/987145244.db2.gz TVOJUEHSOMUVTM-CLAHSXSESA-N -1 1 424.276 3.671 20 5 HHBDMM O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445173040 987258362 /nfs/dbraw/zinc/25/83/62/987258362.db2.gz MLALCAZKZRJTEI-CYBMUJFWSA-N -1 1 414.418 3.765 20 5 HHBDMM COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445175850 987259870 /nfs/dbraw/zinc/25/98/70/987259870.db2.gz UEMFGEGOXPDFOQ-SFHVURJKSA-N -1 1 411.389 3.557 20 5 HHBDMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000445698841 987764461 /nfs/dbraw/zinc/76/44/61/987764461.db2.gz FCSZZXBIOWJRAS-JTQLQIEISA-N -1 1 408.320 3.869 20 5 HHBDMM COC(=O)c1cc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)cc([N+](=O)[O-])c1 ZINC000463922863 988031930 /nfs/dbraw/zinc/03/19/30/988031930.db2.gz FVAQTOOADCUNBH-UHFFFAOYSA-N -1 1 404.247 3.931 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(-c2cccnc2)c1 ZINC000464192246 988312974 /nfs/dbraw/zinc/31/29/74/988312974.db2.gz LNWSLPPBJYDLOL-UHFFFAOYSA-N -1 1 403.847 3.789 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000464355151 988507770 /nfs/dbraw/zinc/50/77/70/988507770.db2.gz WMBHLWGGOQNOGY-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000464831519 989071322 /nfs/dbraw/zinc/07/13/22/989071322.db2.gz AZLJBHWPZYRIEX-UHFFFAOYSA-N -1 1 404.366 3.899 20 5 HHBDMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000471867161 990039190 /nfs/dbraw/zinc/03/91/90/990039190.db2.gz ABENSPAHCQIHSD-ZDUSSCGKSA-N -1 1 416.459 3.555 20 5 HHBDMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)n2)cc1 ZINC000471875703 990048015 /nfs/dbraw/zinc/04/80/15/990048015.db2.gz KQWYPOOOEQYAFJ-ZDUSSCGKSA-N -1 1 416.459 3.555 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000467077908 992384072 /nfs/dbraw/zinc/38/40/72/992384072.db2.gz DSHIUVQRDSRLLQ-UHFFFAOYSA-N -1 1 408.476 3.566 20 5 HHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000482634438 995629135 /nfs/dbraw/zinc/62/91/35/995629135.db2.gz FVDJWJSWQUHHGD-UHFFFAOYSA-N -1 1 417.219 3.809 20 5 HHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000482673558 995665286 /nfs/dbraw/zinc/66/52/86/995665286.db2.gz NALGAFXGXBPHBP-UHFFFAOYSA-N -1 1 417.219 3.809 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1C ZINC000484153855 996603196 /nfs/dbraw/zinc/60/31/96/996603196.db2.gz ALUGOOVYEDCIFM-UHFFFAOYSA-N -1 1 423.454 3.951 20 5 HHBDMM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000484252425 996659998 /nfs/dbraw/zinc/65/99/98/996659998.db2.gz HLTGPQBSVFBNCW-UHFFFAOYSA-N -1 1 411.458 3.629 20 5 HHBDMM CCSc1cccc(F)c1[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000484930489 997305992 /nfs/dbraw/zinc/30/59/92/997305992.db2.gz AGOSDCLYUXLMAC-UHFFFAOYSA-N -1 1 401.423 3.987 20 5 HHBDMM COCc1cccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000485396025 997823607 /nfs/dbraw/zinc/82/36/07/997823607.db2.gz IRYZUNXQEUEIQN-UHFFFAOYSA-N -1 1 415.265 3.613 20 5 HHBDMM CCC1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CCC1 ZINC000477351725 998039875 /nfs/dbraw/zinc/03/98/75/998039875.db2.gz KJCLHMQMPAJADA-UHFFFAOYSA-N -1 1 417.487 3.767 20 5 HHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c(C)c([N+](=O)[O-])c1 ZINC000485989547 998431402 /nfs/dbraw/zinc/43/14/02/998431402.db2.gz KFVWERPTESENCN-UHFFFAOYSA-N -1 1 422.459 3.586 20 5 HHBDMM C[C@]12CCN(c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000488429876 999484968 /nfs/dbraw/zinc/48/49/68/999484968.db2.gz FMTRFQOGTLWVLQ-MSOLQXFVSA-N -1 1 423.441 3.877 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000491572543 1000084671 /nfs/dbraw/zinc/08/46/71/1000084671.db2.gz NKCPTITTZOONNG-UHFFFAOYSA-N -1 1 413.455 3.986 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000504512866 1000243628 /nfs/dbraw/zinc/24/36/28/1000243628.db2.gz KRKUUGWRTSPFCB-UHFFFAOYSA-N -1 1 420.756 3.944 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506265129 1001316781 /nfs/dbraw/zinc/31/67/81/1001316781.db2.gz VHEGFFFNNJCJBK-HNNXBMFYSA-N -1 1 424.910 3.916 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000498041545 1001618512 /nfs/dbraw/zinc/61/85/12/1001618512.db2.gz JWZUFYGGYCJBOR-AWEZNQCLSA-N -1 1 405.476 3.935 20 5 HHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000499292755 1002703386 /nfs/dbraw/zinc/70/33/86/1002703386.db2.gz UYYQSIGYNDTGKP-UHFFFAOYSA-N -1 1 419.484 3.615 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509375449 1003803772 /nfs/dbraw/zinc/80/37/72/1003803772.db2.gz LADRGFTZSVPBQG-UHFFFAOYSA-N -1 1 417.365 3.595 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)ccc1[N+](=O)[O-] ZINC000512761928 1004543615 /nfs/dbraw/zinc/54/36/15/1004543615.db2.gz KZFKZILFZKUSHO-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000512984248 1004744252 /nfs/dbraw/zinc/74/42/52/1004744252.db2.gz CFBQCMOVGPFEHJ-CJNGLKHVSA-N -1 1 410.879 3.694 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000512984249 1004744441 /nfs/dbraw/zinc/74/44/41/1004744441.db2.gz CFBQCMOVGPFEHJ-CZUORRHYSA-N -1 1 410.879 3.694 20 5 HHBDMM O=c1nc(Cn2cc(Br)c([N+](=O)[O-])n2)[n-]c2scc(-c3ccco3)c21 ZINC000502845535 1005241791 /nfs/dbraw/zinc/24/17/91/1005241791.db2.gz VSZZYZDBXYSJPE-UHFFFAOYSA-N -1 1 422.220 3.572 20 5 HHBDMM COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1OC ZINC000534706511 1006694128 /nfs/dbraw/zinc/69/41/28/1006694128.db2.gz XARMQXRNYJOWES-UHFFFAOYSA-N -1 1 410.810 3.548 20 5 HHBDMM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000532393266 1006841355 /nfs/dbraw/zinc/84/13/55/1006841355.db2.gz UISRPICTUSZJNC-UHFFFAOYSA-N -1 1 406.221 3.523 20 5 HHBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000533360945 1007669446 /nfs/dbraw/zinc/66/94/46/1007669446.db2.gz ZRTYNAUZUYUTFJ-CQSZACIVSA-N -1 1 403.382 3.684 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Oc2ccccc2)c([N+](=O)[O-])n1 ZINC000533636577 1007943359 /nfs/dbraw/zinc/94/33/59/1007943359.db2.gz BAHAQGLBDPMDKT-AWEZNQCLSA-N -1 1 416.459 3.643 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000539637228 1007953975 /nfs/dbraw/zinc/95/39/75/1007953975.db2.gz KPJPTIOYUDNLPZ-ZDUSSCGKSA-N -1 1 400.815 3.580 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3cn4ccccc4n3)cc2)cc1 ZINC000517975665 1008081814 /nfs/dbraw/zinc/08/18/14/1008081814.db2.gz WBSLOHVSTXPHMJ-UHFFFAOYSA-N -1 1 424.438 3.622 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](COc2ccccc2)c2ccccc2)s1 ZINC000520777810 1009846058 /nfs/dbraw/zinc/84/60/58/1009846058.db2.gz LWQMSSAQAKAYNT-INIZCTEOSA-N -1 1 404.469 3.755 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](COc2ccccc2)c2ccccc2)s1 ZINC000520777811 1009846669 /nfs/dbraw/zinc/84/66/69/1009846669.db2.gz LWQMSSAQAKAYNT-MRXNPFEDSA-N -1 1 404.469 3.755 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000522512815 1011057246 /nfs/dbraw/zinc/05/72/46/1011057246.db2.gz YFLDKMWUPOHQGR-SANMLTNESA-N -1 1 410.517 3.751 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)c1C ZINC000523643592 1012235056 /nfs/dbraw/zinc/23/50/56/1012235056.db2.gz OMXPYCABRGVMPC-UHFFFAOYSA-N -1 1 423.454 3.722 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] ZINC000542000194 1012879629 /nfs/dbraw/zinc/87/96/29/1012879629.db2.gz DUPVGYPXMGWXJM-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1[N+](=O)[O-] ZINC000488220652 1072135752 /nfs/dbraw/zinc/13/57/52/1072135752.db2.gz UNIMFNPVDYTARL-UHFFFAOYSA-N -1 1 421.406 3.815 20 5 HHBDMM Cc1cccc(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1[N+](=O)[O-] ZINC001648999240 1072613039 /nfs/dbraw/zinc/61/30/39/1072613039.db2.gz MQSSNOMSGXRMFE-CYBMUJFWSA-N -1 1 421.375 3.716 20 5 HHBDMM CC1(C)CC[C@@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])O1 ZINC000302470881 971241837 /nfs/dbraw/zinc/24/18/37/971241837.db2.gz WAHJBSCJESKDRM-HNNXBMFYSA-N -1 1 405.476 3.765 20 5 HHBDMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000303060784 971482529 /nfs/dbraw/zinc/48/25/29/971482529.db2.gz XJTUUJKLGVDITQ-UHFFFAOYSA-N -1 1 424.906 3.583 20 5 HHBDMM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303199262 971556420 /nfs/dbraw/zinc/55/64/20/971556420.db2.gz HCKLYHNKICVSFX-SECBINFHSA-N -1 1 402.407 3.757 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1[N+](=O)[O-] ZINC000303376993 971670303 /nfs/dbraw/zinc/67/03/03/971670303.db2.gz LOTDUBXESNHESP-UHFFFAOYSA-N -1 1 406.851 3.758 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1[N+](=O)[O-] ZINC000017320023 963186801 /nfs/dbraw/zinc/18/68/01/963186801.db2.gz RULKRBLTAFXLBM-UHFFFAOYSA-N -1 1 412.514 3.883 20 5 HHBDMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000058144316 965637548 /nfs/dbraw/zinc/63/75/48/965637548.db2.gz SCSXKGYTIUBOOV-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000112689015 969824522 /nfs/dbraw/zinc/82/45/22/969824522.db2.gz AEJDEBHAGAWEIO-INIZCTEOSA-N -1 1 420.422 3.571 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000146683166 970306451 /nfs/dbraw/zinc/30/64/51/970306451.db2.gz CMOYQUAVAHDQNL-VIFPVBQESA-N -1 1 406.794 3.889 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(Br)cs1 ZINC000146862395 970311046 /nfs/dbraw/zinc/31/10/46/970311046.db2.gz MCTFTFZCLCETOU-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM COc1ccc(Br)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000324871396 972726895 /nfs/dbraw/zinc/72/68/95/972726895.db2.gz ITKVYNYLZBOLQQ-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000391260057 972838593 /nfs/dbraw/zinc/83/85/93/972838593.db2.gz DIQBWWHBRMFJDU-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000410100932 973576162 /nfs/dbraw/zinc/57/61/62/973576162.db2.gz QVTWOLQWONMEBW-UHFFFAOYSA-N -1 1 413.327 3.815 20 5 HHBDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000410417141 974015061 /nfs/dbraw/zinc/01/50/61/974015061.db2.gz IVGAKAYKOCABMA-UHFFFAOYSA-N -1 1 400.460 3.721 20 5 HHBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000427805002 975299296 /nfs/dbraw/zinc/29/92/96/975299296.db2.gz NXKWIPNUOMIZGQ-SFHVURJKSA-N -1 1 402.428 3.573 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000427807282 975300382 /nfs/dbraw/zinc/30/03/82/975300382.db2.gz MDZKLDPPOOPEAH-DOTOQJQBSA-N -1 1 410.879 3.664 20 5 HHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc([N+](=O)[O-])c1 ZINC000432770245 978968785 /nfs/dbraw/zinc/96/87/85/978968785.db2.gz GNJHMQWQVVVRQA-UHFFFAOYSA-N -1 1 422.459 3.623 20 5 HHBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)n1 ZINC000432928339 979014043 /nfs/dbraw/zinc/01/40/43/979014043.db2.gz MHXBKYQHZJUCQU-UHFFFAOYSA-N -1 1 418.413 3.717 20 5 HHBDMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000434965339 980536354 /nfs/dbraw/zinc/53/63/54/980536354.db2.gz DQSBFDMWXQMUEG-UHFFFAOYSA-N -1 1 409.427 3.642 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000435603586 980957991 /nfs/dbraw/zinc/95/79/91/980957991.db2.gz KCNOGMPXJKWZSP-PWSUYJOCSA-N -1 1 418.805 3.684 20 5 HHBDMM O=C(c1ccc(Br)cc1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000436573938 981453336 /nfs/dbraw/zinc/45/33/36/981453336.db2.gz KKAIDTRUQXBKKJ-UHFFFAOYSA-N -1 1 421.247 3.747 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436810036 981571276 /nfs/dbraw/zinc/57/12/76/981571276.db2.gz WABVTAUPXKKGRD-UHFFFAOYSA-N -1 1 413.430 3.624 20 5 HHBDMM Cc1c(=O)[n-]c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000460429795 982219045 /nfs/dbraw/zinc/21/90/45/982219045.db2.gz VHMLYWPQLQHJSM-UHFFFAOYSA-N -1 1 410.455 3.821 20 5 HHBDMM Cc1c(=O)[n-]c(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc1-c1ccccc1 ZINC000460443353 982234281 /nfs/dbraw/zinc/23/42/81/982234281.db2.gz LBZBQNHXMUNYCT-QGZVFWFLSA-N -1 1 422.466 3.963 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c1O ZINC000438793784 983074746 /nfs/dbraw/zinc/07/47/46/983074746.db2.gz QECZOZDTXFSBQN-UHFFFAOYSA-N -1 1 415.265 3.789 20 5 HHBDMM Cc1nn(C)cc1[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000443437782 985596549 /nfs/dbraw/zinc/59/65/49/985596549.db2.gz CNRSQZOEEZPXOD-CYBMUJFWSA-N -1 1 415.475 3.611 20 5 HHBDMM CCCc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c1[N+](=O)[O-] ZINC000463175048 986147557 /nfs/dbraw/zinc/14/75/57/986147557.db2.gz YBVNWRZDUIOEAY-UHFFFAOYSA-N -1 1 410.221 3.615 20 5 HHBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000444471704 986655967 /nfs/dbraw/zinc/65/59/67/986655967.db2.gz GEQFFSPSLSRMKD-UHFFFAOYSA-N -1 1 413.444 3.521 20 5 HHBDMM O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445000727 987130485 /nfs/dbraw/zinc/13/04/85/987130485.db2.gz OTUKTLKOYSXIPS-UHFFFAOYSA-N -1 1 424.360 3.768 20 5 HHBDMM COCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000445184501 987265197 /nfs/dbraw/zinc/26/51/97/987265197.db2.gz NWAJSCLYFMWGPX-LLVKDONJSA-N -1 1 413.352 3.564 20 5 HHBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000445190387 987269034 /nfs/dbraw/zinc/26/90/34/987269034.db2.gz PZCSSSCMQFNBLX-LBPRGKRZSA-N -1 1 424.388 3.578 20 5 HHBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c1 ZINC000464327471 988462670 /nfs/dbraw/zinc/46/26/70/988462670.db2.gz MBXIVBIQMPDYOS-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000467756760 993001746 /nfs/dbraw/zinc/00/17/46/993001746.db2.gz WEVLYBKBJGAKBB-UHFFFAOYSA-N -1 1 418.383 3.788 20 5 HHBDMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000481086377 993924578 /nfs/dbraw/zinc/92/45/78/993924578.db2.gz DFAZKTHJRAUTDI-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1[N+](=O)[O-] ZINC000481094121 993932031 /nfs/dbraw/zinc/93/20/31/993932031.db2.gz QERZWRCXQRCPGH-UHFFFAOYSA-N -1 1 421.475 3.697 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000473775811 994698314 /nfs/dbraw/zinc/69/83/14/994698314.db2.gz ZGRPSELBEHBKLH-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCC(F)(F)F ZINC000482045869 994968125 /nfs/dbraw/zinc/96/81/25/994968125.db2.gz TXYZBLXRJOYADP-UHFFFAOYSA-N -1 1 420.365 3.654 20 5 HHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000482639344 995634110 /nfs/dbraw/zinc/63/41/10/995634110.db2.gz ZGDNPVMVBRBVMK-UHFFFAOYSA-N -1 1 417.219 3.809 20 5 HHBDMM Cc1ccc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2)o1 ZINC000475827856 996397183 /nfs/dbraw/zinc/39/71/83/996397183.db2.gz CWALQZINZAKCCI-UHFFFAOYSA-N -1 1 416.411 3.971 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)cc1F ZINC000485393491 997821043 /nfs/dbraw/zinc/82/10/43/997821043.db2.gz AUYHXPWRLVGJCD-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000488255618 999412203 /nfs/dbraw/zinc/41/22/03/999412203.db2.gz PBKHEHPIJBOIPI-UHFFFAOYSA-N -1 1 419.390 3.731 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000488305548 999432049 /nfs/dbraw/zinc/43/20/49/999432049.db2.gz YIUNPGLALQHPQM-UHFFFAOYSA-N -1 1 408.329 3.648 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000489002392 999669182 /nfs/dbraw/zinc/66/91/82/999669182.db2.gz REXOSQFTTZGQFP-MRVPVSSYSA-N -1 1 421.219 3.675 20 5 HHBDMM CCc1nc(C)c(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])o1 ZINC000489068443 999688773 /nfs/dbraw/zinc/68/87/73/999688773.db2.gz HGPMOVMIXXQUHU-UHFFFAOYSA-N -1 1 416.459 3.867 20 5 HHBDMM CCc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000480225043 999749841 /nfs/dbraw/zinc/74/98/41/999749841.db2.gz LTADYUKLEXPRHJ-UHFFFAOYSA-N -1 1 422.850 3.503 20 5 HHBDMM COc1ccc(Br)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480225973 999750090 /nfs/dbraw/zinc/75/00/90/999750090.db2.gz NXTFKCBYIQCTHN-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc(C(=O)CC)cc3[N+](=O)[O-])c2)n1 ZINC000480508025 999814635 /nfs/dbraw/zinc/81/46/35/999814635.db2.gz CQNICUAKGNVGBG-UHFFFAOYSA-N -1 1 423.429 3.761 20 5 HHBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2cccc(Cl)c2)on1 ZINC000490361590 999944540 /nfs/dbraw/zinc/94/45/40/999944540.db2.gz DZRBNMHYQMBXKP-UHFFFAOYSA-N -1 1 410.777 3.941 20 5 HHBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000491410327 1000072675 /nfs/dbraw/zinc/07/26/75/1000072675.db2.gz QKGCZSUUHWHKIE-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1[N+](=O)[O-] ZINC000491549424 1000082876 /nfs/dbraw/zinc/08/28/76/1000082876.db2.gz VONDEEFKBKPKMM-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCOC1CCCC1 ZINC000496841633 1001235844 /nfs/dbraw/zinc/23/58/44/1001235844.db2.gz UDLPKCYJKALARH-UHFFFAOYSA-N -1 1 405.476 3.767 20 5 HHBDMM Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000509180594 1003608219 /nfs/dbraw/zinc/60/82/19/1003608219.db2.gz UWLCVMYOECTUBO-INIZCTEOSA-N -1 1 403.822 3.506 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509386727 1003815461 /nfs/dbraw/zinc/81/54/61/1003815461.db2.gz SBFALMFYYRIWQZ-UHFFFAOYSA-N -1 1 417.365 3.595 20 5 HHBDMM Cc1c[nH]cc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000512106549 1004027751 /nfs/dbraw/zinc/02/77/51/1004027751.db2.gz PWSDHRLADQUZLX-UHFFFAOYSA-N -1 1 414.443 3.593 20 5 HHBDMM COCCC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000509710659 1004044155 /nfs/dbraw/zinc/04/41/55/1004044155.db2.gz IJVCXUPSBOXOHH-CYBMUJFWSA-N -1 1 418.924 3.798 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(F)cc1Br ZINC000512959091 1004729075 /nfs/dbraw/zinc/72/90/75/1004729075.db2.gz TWIUVJBOJQDZBH-UHFFFAOYSA-N -1 1 423.647 3.628 20 5 HHBDMM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000513850195 1005157899 /nfs/dbraw/zinc/15/78/99/1005157899.db2.gz OTXGIMMBBMDZBE-SNVBAGLBSA-N -1 1 411.892 3.767 20 5 HHBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000514700934 1006087769 /nfs/dbraw/zinc/08/77/69/1006087769.db2.gz FPAAAQGTOUFJKY-UHFFFAOYSA-N -1 1 420.834 3.629 20 5 HHBDMM CC(C)CNS(=O)(=O)c1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1 ZINC000535390238 1007456228 /nfs/dbraw/zinc/45/62/28/1007456228.db2.gz VKCFMSAMYFQPQH-UHFFFAOYSA-N -1 1 407.495 3.678 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)c([N+](=O)[O-])n1 ZINC000533175664 1007517833 /nfs/dbraw/zinc/51/78/33/1007517833.db2.gz LLLWMQOZKJNCTG-CQSZACIVSA-N -1 1 420.413 3.506 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1OCC(F)(F)F ZINC000517913109 1008053349 /nfs/dbraw/zinc/05/33/49/1008053349.db2.gz YRJWMMXTMJKZTH-UHFFFAOYSA-N -1 1 424.784 3.668 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000517914517 1008053777 /nfs/dbraw/zinc/05/37/77/1008053777.db2.gz LZUDYCJLDOHQTR-UHFFFAOYSA-N -1 1 402.831 3.525 20 5 HHBDMM CCCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cnn1-c1ccccc1 ZINC000543022326 1008602177 /nfs/dbraw/zinc/60/21/77/1008602177.db2.gz DZCKTSHERFFCNG-UHFFFAOYSA-N -1 1 416.459 3.548 20 5 HHBDMM CCOC(=O)c1sc(-c2ccc(F)cc2)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000543716697 1009317449 /nfs/dbraw/zinc/31/74/49/1009317449.db2.gz PMMCLEPQJIVSMQ-UHFFFAOYSA-N -1 1 418.406 3.625 20 5 HHBDMM CCOc1cc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1OCC(F)(F)F ZINC000546383229 1009390739 /nfs/dbraw/zinc/39/07/39/1009390739.db2.gz HIXCCCJCDMXFPT-UHFFFAOYSA-N -1 1 412.324 3.904 20 5 HHBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 ZINC000543859707 1009425780 /nfs/dbraw/zinc/42/57/80/1009425780.db2.gz UNYJJWHRVNVBGL-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(C)c1F ZINC000543960668 1009564367 /nfs/dbraw/zinc/56/43/67/1009564367.db2.gz ORDAXTNHLNFWRU-UHFFFAOYSA-N -1 1 408.329 3.871 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000520738156 1009808355 /nfs/dbraw/zinc/80/83/55/1009808355.db2.gz DQDHQTWEJNVFHD-NVXWUHKLSA-N -1 1 414.842 3.586 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000520738158 1009808795 /nfs/dbraw/zinc/80/87/95/1009808795.db2.gz DQDHQTWEJNVFHD-WBVHZDCISA-N -1 1 414.842 3.586 20 5 HHBDMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)ccc21 ZINC000544631572 1010254537 /nfs/dbraw/zinc/25/45/37/1010254537.db2.gz ZIRDFUMDVMUTBU-UHFFFAOYSA-N -1 1 417.487 3.702 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(Cc2ccccc2)Cc2ccccc2)s1 ZINC000521772087 1010605914 /nfs/dbraw/zinc/60/59/14/1010605914.db2.gz NBLKMMZOWKWHMM-UHFFFAOYSA-N -1 1 402.497 3.789 20 5 HHBDMM COC1CCC(N(C)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000523752374 1012377644 /nfs/dbraw/zinc/37/76/44/1012377644.db2.gz YRGJSFMNFSDPTC-UHFFFAOYSA-N -1 1 419.503 3.789 20 5 HHBDMM C/C=C/C=C\C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000913461992 1072393417 /nfs/dbraw/zinc/39/34/17/1072393417.db2.gz YXLUROZUHITMJL-ICWBMWKASA-N -1 1 401.444 3.775 20 5 HHBDMM CCOc1cc([N-]C(=O)c2cc(C(=O)OC)c(CC)o2)c([N+](=O)[O-])cc1OCC ZINC000554884886 1072924892 /nfs/dbraw/zinc/92/48/92/1072924892.db2.gz ZJQPODVRILYAPJ-UHFFFAOYSA-N -1 1 406.391 3.587 20 5 HHBDMM CC[C@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCS1 ZINC000301461024 970940951 /nfs/dbraw/zinc/94/09/51/970940951.db2.gz ULKXUDGKHUVPQU-HNNXBMFYSA-N -1 1 407.517 3.727 20 5 HHBDMM C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000301480564 970950172 /nfs/dbraw/zinc/95/01/72/970950172.db2.gz WEVZNOYEBPYAQL-ZIAGYGMSSA-N -1 1 407.517 3.726 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3c2)cc1 ZINC000301604999 970998001 /nfs/dbraw/zinc/99/80/01/970998001.db2.gz JWOWYHJEFLAELN-UHFFFAOYSA-N -1 1 424.438 3.948 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H](CO)c1ccsc1 ZINC000302229253 971212745 /nfs/dbraw/zinc/21/27/45/971212745.db2.gz BBAAEFJXEGZIPE-QGZVFWFLSA-N -1 1 419.484 3.603 20 5 HHBDMM CC1(C)CC[C@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])O1 ZINC000302470884 971241445 /nfs/dbraw/zinc/24/14/45/971241445.db2.gz WAHJBSCJESKDRM-OAHLLOKOSA-N -1 1 405.476 3.765 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1[N+](=O)[O-] ZINC000005256504 960687305 /nfs/dbraw/zinc/68/73/05/960687305.db2.gz MQZQGVCRMMCTAC-UHFFFAOYSA-N -1 1 405.457 3.836 20 5 HHBDMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000017322809 963188397 /nfs/dbraw/zinc/18/83/97/963188397.db2.gz HNNMYEIFMGGULR-UHFFFAOYSA-N -1 1 405.476 3.624 20 5 HHBDMM CCCc1cc(=O)[n-]c(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])n1 ZINC000024959228 964124899 /nfs/dbraw/zinc/12/48/99/964124899.db2.gz PXCLNEZHIJVBML-UHFFFAOYSA-N -1 1 401.391 3.945 20 5 HHBDMM COc1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000055976270 966164171 /nfs/dbraw/zinc/16/41/71/966164171.db2.gz ZCYUIPLXESZCFX-UHFFFAOYSA-N -1 1 402.379 3.606 20 5 HHBDMM Cc1c([C@@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cnn1C ZINC000538084354 1013656729 /nfs/dbraw/zinc/65/67/29/1013656729.db2.gz VHHYZIDHQFXLFP-CYBMUJFWSA-N -1 1 415.475 3.611 20 5 HHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3)ns2)cc1OC ZINC000042090710 966713829 /nfs/dbraw/zinc/71/38/29/966713829.db2.gz BFLUKGUSHQQQFQ-UHFFFAOYSA-N -1 1 400.416 3.773 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000097513494 969150587 /nfs/dbraw/zinc/15/05/87/969150587.db2.gz XWFPGVCCONWQTA-QMMMGPOBSA-N -1 1 421.219 3.675 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] ZINC000325240530 972729346 /nfs/dbraw/zinc/72/93/46/972729346.db2.gz XHCDKIRWRZFEDZ-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)cc1[N+](=O)[O-] ZINC000392327562 972851459 /nfs/dbraw/zinc/85/14/59/972851459.db2.gz SJYVQRBXVPWSKX-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(C)(C)C ZINC000410403106 974003127 /nfs/dbraw/zinc/00/31/27/974003127.db2.gz RIECBCJSWRLLRG-UHFFFAOYSA-N -1 1 407.448 3.613 20 5 HHBDMM CCCc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000432054710 978662697 /nfs/dbraw/zinc/66/26/97/978662697.db2.gz MPKNFOYXYCQKFX-UHFFFAOYSA-N -1 1 416.459 3.548 20 5 HHBDMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000432074932 978670246 /nfs/dbraw/zinc/67/02/46/978670246.db2.gz GXNGLPMCYJBLQL-UHFFFAOYSA-N -1 1 401.227 3.831 20 5 HHBDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000432184616 978704333 /nfs/dbraw/zinc/70/43/33/978704333.db2.gz GSFINTPRCBEPCX-UHFFFAOYSA-N -1 1 402.432 3.625 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000432639777 978921149 /nfs/dbraw/zinc/92/11/49/978921149.db2.gz AHOMBYANBJRKBL-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)c1C ZINC000432969237 979028842 /nfs/dbraw/zinc/02/88/42/979028842.db2.gz DWOZAFVVJWSNCW-AWEZNQCLSA-N -1 1 406.357 3.775 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCCc1ccccn1 ZINC000434946251 980520682 /nfs/dbraw/zinc/52/06/82/980520682.db2.gz IPYOBLWQBFALTC-UHFFFAOYSA-N -1 1 412.471 3.835 20 5 HHBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000436504343 981406262 /nfs/dbraw/zinc/40/62/62/981406262.db2.gz MXIIGOBNXIHJOC-UHFFFAOYSA-N -1 1 424.359 3.704 20 5 HHBDMM Cc1nn(C)c(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1[N+](=O)[O-] ZINC000436611413 981474178 /nfs/dbraw/zinc/47/41/78/981474178.db2.gz ZZWKZZDRHDWKBC-UHFFFAOYSA-N -1 1 409.427 3.871 20 5 HHBDMM CC(C)([C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000436707073 981522803 /nfs/dbraw/zinc/52/28/03/981522803.db2.gz UFVGGSIKHFXRFU-IBGZPJMESA-N -1 1 419.428 3.924 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436986487 981668219 /nfs/dbraw/zinc/66/82/19/981668219.db2.gz JTXIEAGUPIPSJC-SCLBCKFNSA-N -1 1 407.829 3.516 20 5 HHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000438727046 983027788 /nfs/dbraw/zinc/02/77/88/983027788.db2.gz RIYFFTCJRAPIGK-UHFFFAOYSA-N -1 1 422.459 3.607 20 5 HHBDMM CC(C)(C)OC(=O)CCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442249595 984771358 /nfs/dbraw/zinc/77/13/58/984771358.db2.gz KSWBAVGOGBASFT-UHFFFAOYSA-N -1 1 406.460 3.670 20 5 HHBDMM CO[C@@](C)(CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000461887019 984910231 /nfs/dbraw/zinc/91/02/31/984910231.db2.gz RNDKYVFCODSMBX-IBGZPJMESA-N -1 1 405.476 3.623 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(SC[C@H](C)CO)c([N+](=O)[O-])c2)c(C)c1 ZINC000462108662 985078944 /nfs/dbraw/zinc/07/89/44/985078944.db2.gz GXAIYDFYZTXVOI-CYBMUJFWSA-N -1 1 410.517 3.733 20 5 HHBDMM C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1cccs1 ZINC000462495518 985448375 /nfs/dbraw/zinc/44/83/75/985448375.db2.gz OXHQEVYMSHJRET-JTQLQIEISA-N -1 1 419.322 3.576 20 5 HHBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000462715737 985661654 /nfs/dbraw/zinc/66/16/54/985661654.db2.gz OKIKUGOTACEWRK-JTQLQIEISA-N -1 1 405.259 3.647 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(S[C@H](C)[C@@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000463015734 985971875 /nfs/dbraw/zinc/97/18/75/985971875.db2.gz WOJFUWSTPKPFQH-ZIAGYGMSSA-N -1 1 410.517 3.874 20 5 HHBDMM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000445253204 987309847 /nfs/dbraw/zinc/30/98/47/987309847.db2.gz XMBDAFSECUTYSC-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470375159 988337347 /nfs/dbraw/zinc/33/73/47/988337347.db2.gz MCOUDBGWCGIKLD-UHFFFAOYSA-N -1 1 406.383 3.988 20 5 HHBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000470968515 989032479 /nfs/dbraw/zinc/03/24/79/989032479.db2.gz QSNCJOCJBGWQGK-UHFFFAOYSA-N -1 1 401.810 3.539 20 5 HHBDMM CC(C)c1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2s1 ZINC000471125303 989232420 /nfs/dbraw/zinc/23/24/20/989232420.db2.gz PUFQILBHIKKYPV-UHFFFAOYSA-N -1 1 421.456 3.827 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000466975213 992286700 /nfs/dbraw/zinc/28/67/00/992286700.db2.gz OCXPVNIFDUVWQY-UHFFFAOYSA-N -1 1 415.456 3.704 20 5 HHBDMM Cc1sc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1 ZINC000472303329 993316003 /nfs/dbraw/zinc/31/60/03/993316003.db2.gz CHBMFWCIABZUDT-UHFFFAOYSA-N -1 1 409.514 3.609 20 5 HHBDMM Cc1cc(C)n(-c2ccccc2C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000472334724 993343169 /nfs/dbraw/zinc/34/31/69/993343169.db2.gz JFWFQMNQGPPBRP-UHFFFAOYSA-N -1 1 420.878 3.529 20 5 HHBDMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3C)cc2c1C ZINC000473507696 994358176 /nfs/dbraw/zinc/35/81/76/994358176.db2.gz UMJDUDYCMNKMAF-UHFFFAOYSA-N -1 1 418.427 3.935 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000481947670 994826781 /nfs/dbraw/zinc/82/67/81/994826781.db2.gz NCZKJVIYEYKOCP-UHFFFAOYSA-N -1 1 420.487 3.818 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000481979833 994875151 /nfs/dbraw/zinc/87/51/51/994875151.db2.gz IPMOSKDBNUHWKK-UHFFFAOYSA-N -1 1 413.455 3.986 20 5 HHBDMM Cc1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(SCCC(=O)[O-])c1 ZINC000484504013 996832477 /nfs/dbraw/zinc/83/24/77/996832477.db2.gz SUKKXCQOASSGJD-UHFFFAOYSA-N -1 1 424.500 3.888 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c(Cl)c1 ZINC000484792966 997143909 /nfs/dbraw/zinc/14/39/09/997143909.db2.gz ZCMYEWLLWMVPAU-KOLCDFICSA-N -1 1 400.806 3.895 20 5 HHBDMM COC(=O)c1c(F)ccc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1F ZINC000485178709 997558941 /nfs/dbraw/zinc/55/89/41/997558941.db2.gz XHJJBBFFXSYVFB-UHFFFAOYSA-N -1 1 404.247 3.931 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)ccc1F ZINC000485395424 997823773 /nfs/dbraw/zinc/82/37/73/997823773.db2.gz FCFYZWHLKXQIOO-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000477214570 997886917 /nfs/dbraw/zinc/88/69/17/997886917.db2.gz ZYZWOMLZHMEUHZ-CYBMUJFWSA-N -1 1 403.460 3.689 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1sccc1Br ZINC000477281286 997961422 /nfs/dbraw/zinc/96/14/22/997961422.db2.gz VUQUNBCWPQCZSE-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000485688018 998148044 /nfs/dbraw/zinc/14/80/44/998148044.db2.gz XXJRQNDASMBPGF-UHFFFAOYSA-N -1 1 414.215 3.814 20 5 HHBDMM CC[C@H](C)[C@@](C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000488151425 999394520 /nfs/dbraw/zinc/39/45/20/999394520.db2.gz RPKCNWUTURFTPQ-LIRRHRJNSA-N -1 1 407.492 3.605 20 5 HHBDMM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488722870 999588484 /nfs/dbraw/zinc/58/84/84/999588484.db2.gz HLYKFAYHXWYWFT-LBPRGKRZSA-N -1 1 413.293 3.575 20 5 HHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc(Cl)c1F ZINC000480207225 999745390 /nfs/dbraw/zinc/74/53/90/999745390.db2.gz DDOJOISFBPMDGA-UHFFFAOYSA-N -1 1 416.814 3.592 20 5 HHBDMM CCOc1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c([N+](=O)[O-])cc1OC ZINC000490302003 999931900 /nfs/dbraw/zinc/93/19/00/999931900.db2.gz QZQRPEIMSNIVJK-SREVYHEPSA-N -1 1 416.415 3.869 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] ZINC000491571449 1000084383 /nfs/dbraw/zinc/08/43/83/1000084383.db2.gz DOIIESFYOHCIAD-UHFFFAOYSA-N -1 1 424.438 3.948 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1[N+](=O)[O-] ZINC000491571968 1000084621 /nfs/dbraw/zinc/08/46/21/1000084621.db2.gz JKJBCSOQVIVPNU-QGZVFWFLSA-N -1 1 416.459 3.740 20 5 HHBDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1 ZINC000491585702 1000086332 /nfs/dbraw/zinc/08/63/32/1000086332.db2.gz GLECSHSTMRZYSZ-OAHLLOKOSA-N -1 1 419.503 3.849 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000491604868 1000089240 /nfs/dbraw/zinc/08/92/40/1000089240.db2.gz QAMBBPWQFZLWOL-UHFFFAOYSA-N -1 1 405.476 3.541 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000504549298 1000264844 /nfs/dbraw/zinc/26/48/44/1000264844.db2.gz UCQWSGRIKYTMAH-UHFFFAOYSA-N -1 1 400.338 3.599 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1[N+](=O)[O-] ZINC000507595183 1002202108 /nfs/dbraw/zinc/20/21/08/1002202108.db2.gz HFGYMBCOYPZRIU-UHFFFAOYSA-N -1 1 415.399 3.952 20 5 HHBDMM Cc1occc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000507598826 1002205573 /nfs/dbraw/zinc/20/55/73/1002205573.db2.gz IRKGFTWABGTYOE-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000508110573 1002637530 /nfs/dbraw/zinc/63/75/30/1002637530.db2.gz QNAMJSMCSPHGCQ-UHFFFAOYSA-N -1 1 412.851 3.761 20 5 HHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)cc1SC ZINC000500941055 1004066342 /nfs/dbraw/zinc/06/63/42/1004066342.db2.gz FEXFXSGFZPDPSD-UHFFFAOYSA-N -1 1 403.395 3.502 20 5 HHBDMM COC(=O)c1c(F)cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000512543738 1004373154 /nfs/dbraw/zinc/37/31/54/1004373154.db2.gz BMXCQQKMPNEMKJ-UHFFFAOYSA-N -1 1 421.175 3.736 20 5 HHBDMM C[C@H]1C[C@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000538927170 1007211966 /nfs/dbraw/zinc/21/19/66/1007211966.db2.gz IYZFEDXGHAXKJE-LSDHHAIUSA-N -1 1 405.476 3.623 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000532859978 1007249468 /nfs/dbraw/zinc/24/94/68/1007249468.db2.gz VZSLWPYOACKYFJ-KRWDZBQOSA-N -1 1 420.878 3.533 20 5 HHBDMM CCC(CC)[C@@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000518399898 1008288603 /nfs/dbraw/zinc/28/86/03/1008288603.db2.gz TWEUORHKZLKMIB-IBGZPJMESA-N -1 1 407.492 3.605 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000518657948 1008381851 /nfs/dbraw/zinc/38/18/51/1008381851.db2.gz IVAVRIPIMMREER-NSHDSACASA-N -1 1 423.878 3.636 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccc(C(F)(F)F)cc1 ZINC000518660516 1008383281 /nfs/dbraw/zinc/38/32/81/1008383281.db2.gz SLALQZBEDRDBHR-UHFFFAOYSA-N -1 1 424.784 3.624 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000520057745 1009219805 /nfs/dbraw/zinc/21/98/05/1009219805.db2.gz UGKGOFXKCMSXOV-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccncc1 ZINC000521147613 1010174432 /nfs/dbraw/zinc/17/44/32/1010174432.db2.gz NHRHCUYKUZEXGO-KRWDZBQOSA-N -1 1 403.847 3.711 20 5 HHBDMM CC(C)(c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1)c1ccccc1 ZINC000521250505 1010256640 /nfs/dbraw/zinc/25/66/40/1010256640.db2.gz ZVMYGODGDDTRSG-UHFFFAOYSA-N -1 1 412.427 3.753 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ncccn2)cc1C ZINC000521415260 1010362915 /nfs/dbraw/zinc/36/29/15/1010362915.db2.gz RVGIVJMQBQURDA-UHFFFAOYSA-N -1 1 414.443 3.849 20 5 HHBDMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000547973310 1010490598 /nfs/dbraw/zinc/49/05/98/1010490598.db2.gz BVVFYBYOZNVQSO-UHFFFAOYSA-N -1 1 418.818 3.672 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc([N+](=O)[O-])c1C ZINC000522510025 1011056233 /nfs/dbraw/zinc/05/62/33/1011056233.db2.gz BZBLTLUHZZQHCW-CYBMUJFWSA-N -1 1 422.459 3.588 20 5 HHBDMM CCOc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001212082901 1072068963 /nfs/dbraw/zinc/06/89/63/1072068963.db2.gz RQFNXLUCLVEDKX-CYBMUJFWSA-N -1 1 410.467 3.598 20 5 HHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC001212088288 1072073245 /nfs/dbraw/zinc/07/32/45/1072073245.db2.gz LGSCZAHDSFLPAG-SFHVURJKSA-N -1 1 424.906 3.821 20 5 HHBDMM Cc1cc(F)cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)c1[N+](=O)[O-] ZINC000760321372 1072246455 /nfs/dbraw/zinc/24/64/55/1072246455.db2.gz PNOOPLYGAWWJIY-UHFFFAOYSA-N -1 1 420.198 3.842 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(Br)c1 ZINC000760354835 1072268187 /nfs/dbraw/zinc/26/81/87/1072268187.db2.gz DYZTWKRRIQCGKE-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1F ZINC000760343899 1072265856 /nfs/dbraw/zinc/26/58/56/1072265856.db2.gz JBMCBMLDWKFGPL-OAHLLOKOSA-N -1 1 420.422 3.571 20 5 HHBDMM COc1ccc(Br)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000760354593 1072273337 /nfs/dbraw/zinc/27/33/37/1072273337.db2.gz AJXRPMVQYGWALO-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)n[nH]2)c([N+](=O)[O-])c1 ZINC000591577839 1074421544 /nfs/dbraw/zinc/42/15/44/1074421544.db2.gz XHWCTEIAZYXCMI-UHFFFAOYSA-N -1 1 416.459 3.720 20 5 HHBDMM Cn1c(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)ccc1[N+](=O)[O-] ZINC000761057463 1075298292 /nfs/dbraw/zinc/29/82/92/1075298292.db2.gz YETQCFPOVPQVEC-UHFFFAOYSA-N -1 1 410.411 3.668 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000006328784 960886037 /nfs/dbraw/zinc/88/60/37/960886037.db2.gz BRFWZMVOTVQBCJ-UHFFFAOYSA-N -1 1 408.766 3.659 20 5 HHBDMM Cc1ccc(CN(C)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])o1 ZINC000008051266 961410795 /nfs/dbraw/zinc/41/07/95/961410795.db2.gz DDUOWROZLBCCRW-UHFFFAOYSA-N -1 1 401.444 3.933 20 5 HHBDMM CCOC(=O)CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000015208941 962687434 /nfs/dbraw/zinc/68/74/34/962687434.db2.gz DVPZHFUFXIWEOX-UHFFFAOYSA-N -1 1 424.500 3.668 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000015411068 962751568 /nfs/dbraw/zinc/75/15/68/962751568.db2.gz XUEPDLOJWJHMMN-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM CCOc1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c([N+](=O)[O-])cc1OC ZINC000026787659 964676179 /nfs/dbraw/zinc/67/61/79/964676179.db2.gz QPXYYWGCVUUAEG-UHFFFAOYSA-N -1 1 400.416 3.773 20 5 HHBDMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])o1 ZINC000028492359 965118379 /nfs/dbraw/zinc/11/83/79/965118379.db2.gz HRHWOPXDCADKOB-UHFFFAOYSA-N -1 1 421.818 3.894 20 5 HHBDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000538049675 1013622723 /nfs/dbraw/zinc/62/27/23/1013622723.db2.gz RCTXRSHBMOFVFN-UHFFFAOYSA-N -1 1 409.439 3.655 20 5 HHBDMM Cc1c([C@H](C)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cnn1C ZINC000538084355 1013656824 /nfs/dbraw/zinc/65/68/24/1013656824.db2.gz VHHYZIDHQFXLFP-ZDUSSCGKSA-N -1 1 415.475 3.611 20 5 HHBDMM CC(C)Cc1nnc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000042216209 966747653 /nfs/dbraw/zinc/74/76/53/966747653.db2.gz UDZVQNOGSXHJKQ-UHFFFAOYSA-N -1 1 404.370 3.838 20 5 HHBDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000065223824 967412670 /nfs/dbraw/zinc/41/26/70/967412670.db2.gz NBVVHGZWBASQBS-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)cs1 ZINC000432190897 978706849 /nfs/dbraw/zinc/70/68/49/978706849.db2.gz GPLYFLJIVWDDPX-UHFFFAOYSA-N -1 1 419.440 3.526 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000432644149 978923374 /nfs/dbraw/zinc/92/33/74/978923374.db2.gz RTNVFJJHTDSSOI-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433635255 979440481 /nfs/dbraw/zinc/44/04/81/979440481.db2.gz XGXMJVXJSJFANA-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM CCC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000434779484 980395075 /nfs/dbraw/zinc/39/50/75/980395075.db2.gz VUXRDNYVXHIHOZ-AWEZNQCLSA-N -1 1 416.825 3.825 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434971154 980541079 /nfs/dbraw/zinc/54/10/79/980541079.db2.gz HQXUNROLGSCETQ-UHFFFAOYSA-N -1 1 423.248 3.548 20 5 HHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccccc3Br)[nH]n2)c1 ZINC000434973923 980542353 /nfs/dbraw/zinc/54/23/53/980542353.db2.gz PLKCRHXUNMULQQ-UHFFFAOYSA-N -1 1 423.248 3.548 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436893098 981603861 /nfs/dbraw/zinc/60/38/61/981603861.db2.gz NQPUZKRGOZNJJB-SGTLLEGYSA-N -1 1 407.829 3.516 20 5 HHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000436912418 981618441 /nfs/dbraw/zinc/61/84/41/981618441.db2.gz CVYJYVVBZSBRTA-UHFFFAOYSA-N -1 1 405.823 3.713 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436961984 981649468 /nfs/dbraw/zinc/64/94/68/981649468.db2.gz WAFANCUGXYYTDZ-SGTLLEGYSA-N -1 1 407.829 3.516 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000438726528 983028150 /nfs/dbraw/zinc/02/81/50/983028150.db2.gz UTMNTCLKYMNWIK-UHFFFAOYSA-N -1 1 401.400 3.592 20 5 HHBDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000441726018 984417469 /nfs/dbraw/zinc/41/74/69/984417469.db2.gz FXTKSFLSGVPSDJ-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000444325992 986505685 /nfs/dbraw/zinc/50/56/85/986505685.db2.gz ZGXCACNJLBEFKC-CXAGYDPISA-N -1 1 417.487 3.622 20 5 HHBDMM O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445173041 987258508 /nfs/dbraw/zinc/25/85/08/987258508.db2.gz MLALCAZKZRJTEI-ZDUSSCGKSA-N -1 1 414.418 3.765 20 5 HHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]n1 ZINC000471505932 989704076 /nfs/dbraw/zinc/70/40/76/989704076.db2.gz YZXIEVUHADGCPT-SECBINFHSA-N -1 1 417.285 3.785 20 5 HHBDMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466994399 992303203 /nfs/dbraw/zinc/30/32/03/992303203.db2.gz DUMLIGDKOLYHEC-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000467419313 992720851 /nfs/dbraw/zinc/72/08/51/992720851.db2.gz NKTWNYPLLXZKRC-UHFFFAOYSA-N -1 1 404.448 3.578 20 5 HHBDMM CC(C)(NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nn[n-]n1 ZINC000467798481 993033749 /nfs/dbraw/zinc/03/37/49/993033749.db2.gz MHHMBRIZFHHUQZ-UHFFFAOYSA-N -1 1 418.866 3.578 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000473763708 994678573 /nfs/dbraw/zinc/67/85/73/994678573.db2.gz JMPDBKIVISRLKH-AWEZNQCLSA-N -1 1 424.450 3.567 20 5 HHBDMM Cc1cc([N+](=O)[O-])cnc1NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000474783717 995708778 /nfs/dbraw/zinc/70/87/78/995708778.db2.gz LUWHEVOEVPLRJQ-UHFFFAOYSA-N -1 1 416.434 3.850 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3C[C@H]3C(C)C)cc2)cc1[N+](=O)[O-] ZINC000475320636 996068440 /nfs/dbraw/zinc/06/84/40/996068440.db2.gz VBXABZVTYYFJPG-ROUUACIJSA-N -1 1 417.487 3.935 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1[N+](=O)[O-] ZINC000475823544 996393924 /nfs/dbraw/zinc/39/39/24/996393924.db2.gz DPIGWKUBKZKKJI-UHFFFAOYSA-N -1 1 417.418 3.914 20 5 HHBDMM CCOc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)C)cc1OCC ZINC000484521655 996853121 /nfs/dbraw/zinc/85/31/21/996853121.db2.gz CUHNTCNYJRZJKR-GOSISDBHSA-N -1 1 403.435 3.620 20 5 HHBDMM Cn1cc(-c2csc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])n2)cn1 ZINC000485906984 998358857 /nfs/dbraw/zinc/35/88/57/998358857.db2.gz NSANHZBUVQSRKG-UHFFFAOYSA-N -1 1 414.266 3.528 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000486845865 998969982 /nfs/dbraw/zinc/96/99/82/998969982.db2.gz XECSOQKFLRSXAM-LURJTMIESA-N -1 1 415.802 3.763 20 5 HHBDMM CCOC(=O)c1ccnc([N-]c2cnn(-c3ncc(Cl)cc3Cl)c2)c1[N+](=O)[O-] ZINC000486913955 999003819 /nfs/dbraw/zinc/00/38/19/999003819.db2.gz PBVJBXNCAJGMRP-UHFFFAOYSA-N -1 1 423.216 3.798 20 5 HHBDMM C[C@@H](Cc1ccncc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000487639504 999238417 /nfs/dbraw/zinc/23/84/17/999238417.db2.gz WILNIUJBOKDEGD-HNNXBMFYSA-N -1 1 412.471 3.834 20 5 HHBDMM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488722867 999588567 /nfs/dbraw/zinc/58/85/67/999588567.db2.gz HLYKFAYHXWYWFT-GFCCVEGCSA-N -1 1 413.293 3.575 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000488853246 999627704 /nfs/dbraw/zinc/62/77/04/999627704.db2.gz LZMLGTKSQRALGO-UHFFFAOYSA-N -1 1 411.277 3.715 20 5 HHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cc1OC ZINC000490240346 999919163 /nfs/dbraw/zinc/91/91/63/999919163.db2.gz ILQNGUJXVGPVPL-VOTSOKGWSA-N -1 1 416.415 3.869 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000492977440 1000152260 /nfs/dbraw/zinc/15/22/60/1000152260.db2.gz SQPZTKHLAOSFNW-HZPDHXFCSA-N -1 1 419.503 3.626 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)cc1[N+](=O)[O-] ZINC000493102587 1000157391 /nfs/dbraw/zinc/15/73/91/1000157391.db2.gz CJTHAKFBTPCPLH-UHFFFAOYSA-N -1 1 400.460 3.777 20 5 HHBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000497830261 1001528536 /nfs/dbraw/zinc/52/85/36/1001528536.db2.gz AEZRCBRRKXTSAA-LBPRGKRZSA-N -1 1 424.388 3.578 20 5 HHBDMM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccn2)c1 ZINC000497938795 1001572055 /nfs/dbraw/zinc/57/20/55/1001572055.db2.gz OMFQMVRCVLKSFB-IBGZPJMESA-N -1 1 401.419 3.505 20 5 HHBDMM C[C@H](Nc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507250454 1001933727 /nfs/dbraw/zinc/93/37/27/1001933727.db2.gz AIUFPMUARYEFOW-VIFPVBQESA-N -1 1 421.339 3.552 20 5 HHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000499168382 1002554279 /nfs/dbraw/zinc/55/42/79/1002554279.db2.gz IWGMXLOWOJTODN-UHFFFAOYSA-N -1 1 404.366 3.520 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000509617107 1003983525 /nfs/dbraw/zinc/98/35/25/1003983525.db2.gz ICAFPQPHSYXUFL-UHFFFAOYSA-N -1 1 412.423 3.635 20 5 HHBDMM COCCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000509710664 1004044285 /nfs/dbraw/zinc/04/42/85/1004044285.db2.gz IJVCXUPSBOXOHH-ZDUSSCGKSA-N -1 1 418.924 3.798 20 5 HHBDMM CCCSCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000513835063 1005151822 /nfs/dbraw/zinc/15/18/22/1005151822.db2.gz FVBOXJPQYBXTSV-UHFFFAOYSA-N -1 1 423.516 3.786 20 5 HHBDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000503295240 1005385163 /nfs/dbraw/zinc/38/51/63/1005385163.db2.gz HUFHGJRYLOADFU-CABCVRRESA-N -1 1 405.476 3.623 20 5 HHBDMM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000531780672 1006421859 /nfs/dbraw/zinc/42/18/59/1006421859.db2.gz IHSMVDCKUUDBHU-UHFFFAOYSA-N -1 1 404.448 3.623 20 5 HHBDMM O=C([N-]c1nnc(-c2cc(Br)ccc2F)s1)c1ccc([N+](=O)[O-])cn1 ZINC000531882250 1006496911 /nfs/dbraw/zinc/49/69/11/1006496911.db2.gz WFXHGVRARNXBSJ-UHFFFAOYSA-N -1 1 424.211 3.662 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000532854377 1007243923 /nfs/dbraw/zinc/24/39/23/1007243923.db2.gz GWKJJDYJPAYEIO-INIZCTEOSA-N -1 1 412.899 3.674 20 5 HHBDMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3CC)ccc21 ZINC000540213807 1008338732 /nfs/dbraw/zinc/33/87/32/1008338732.db2.gz XYZOKLFEMCZIKK-UHFFFAOYSA-N -1 1 417.487 3.647 20 5 HHBDMM Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2[N+](=O)[O-])cc1 ZINC000540423043 1008427065 /nfs/dbraw/zinc/42/70/65/1008427065.db2.gz OCJMCMXRYYBNDZ-OAHLLOKOSA-N -1 1 424.486 3.587 20 5 HHBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000544646604 1010271377 /nfs/dbraw/zinc/27/13/77/1010271377.db2.gz LTIFXEQPYLMBKL-UHFFFAOYSA-N -1 1 420.777 3.773 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000522956984 1011403160 /nfs/dbraw/zinc/40/31/60/1011403160.db2.gz QSUKJOGXUGBPAX-UHFFFAOYSA-N -1 1 406.460 3.509 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000523534234 1012065358 /nfs/dbraw/zinc/06/53/58/1012065358.db2.gz VSVDROTUVGQCQM-CQSZACIVSA-N -1 1 412.851 3.525 20 5 HHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[nH]n1 ZINC000760322595 1072248094 /nfs/dbraw/zinc/24/80/94/1072248094.db2.gz KLKGESXHYFIZFV-VIFPVBQESA-N -1 1 417.285 3.785 20 5 HHBDMM Cc1cc(C(=O)N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)ccc1[N+](=O)[O-] ZINC001649006182 1074189247 /nfs/dbraw/zinc/18/92/47/1074189247.db2.gz NNTOWLRJOHBWAE-CQSZACIVSA-N -1 1 421.375 3.716 20 5 HHBDMM C[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCS1 ZINC000302734515 971294882 /nfs/dbraw/zinc/29/48/82/971294882.db2.gz OGGBGTZMSNKTCS-AWEZNQCLSA-N -1 1 407.517 3.727 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1C ZINC000303183190 971547130 /nfs/dbraw/zinc/54/71/30/971547130.db2.gz LEGHQJBKJAMARW-UHFFFAOYSA-N -1 1 406.851 3.852 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@@H](O)C1CCCCC1 ZINC000524324462 1013144635 /nfs/dbraw/zinc/14/46/35/1013144635.db2.gz GKXHTWOGYZDGKC-HXUWFJFHSA-N -1 1 419.503 3.749 20 5 HHBDMM C[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000054980471 965718303 /nfs/dbraw/zinc/71/83/03/965718303.db2.gz BHMAWNLOLRWHRV-SNVBAGLBSA-N -1 1 412.324 3.639 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000060341794 966098397 /nfs/dbraw/zinc/09/83/97/966098397.db2.gz NJIGETJSLUDMPH-UHFFFAOYSA-N -1 1 405.457 3.740 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCCOCCc1ccccc1 ZINC000146893214 970311852 /nfs/dbraw/zinc/31/18/52/970311852.db2.gz MJYZIOGTDIWDFZ-UHFFFAOYSA-N -1 1 412.895 3.566 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000146935079 970314014 /nfs/dbraw/zinc/31/40/14/970314014.db2.gz ULZIMNPKWAWOCV-HOTGVXAUSA-N -1 1 414.842 3.586 20 5 HHBDMM O=C([O-])c1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000237990293 970412908 /nfs/dbraw/zinc/41/29/08/970412908.db2.gz PELDPHBGHNJPEK-HXUWFJFHSA-N -1 1 416.393 3.689 20 5 HHBDMM Cc1[nH]ccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000426056240 974179165 /nfs/dbraw/zinc/17/91/65/974179165.db2.gz YQIMMAKQBFKGLJ-UHFFFAOYSA-N -1 1 414.443 3.593 20 5 HHBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000426280450 974366697 /nfs/dbraw/zinc/36/66/97/974366697.db2.gz MBYYFGKJEXNCOW-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000436508422 981409198 /nfs/dbraw/zinc/40/91/98/981409198.db2.gz ZPBFURQBOQXYOF-UHFFFAOYSA-N -1 1 413.430 3.576 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436961985 981650348 /nfs/dbraw/zinc/65/03/48/981650348.db2.gz WAFANCUGXYYTDZ-XIKOKIGWSA-N -1 1 407.829 3.516 20 5 HHBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438791698 983073150 /nfs/dbraw/zinc/07/31/50/983073150.db2.gz NUEVNNIUWPHMMN-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000442248463 984770758 /nfs/dbraw/zinc/77/07/58/984770758.db2.gz HLFQIVJHTZCEIO-RTBURBONSA-N -1 1 420.487 3.695 20 5 HHBDMM CO[C@](C)(CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000461887021 984910941 /nfs/dbraw/zinc/91/09/41/984910941.db2.gz RNDKYVFCODSMBX-LJQANCHMSA-N -1 1 405.476 3.623 20 5 HHBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])c(C)cc3C)cc2F)c1 ZINC000463434352 986409701 /nfs/dbraw/zinc/40/97/01/986409701.db2.gz GGUFXNNCFVBUEY-UHFFFAOYSA-N -1 1 404.423 3.646 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000444325998 986505701 /nfs/dbraw/zinc/50/57/01/986505701.db2.gz ZGXCACNJLBEFKC-SUMWQHHRSA-N -1 1 417.487 3.622 20 5 HHBDMM COc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)ccc1[N+](=O)[O-] ZINC000444392520 986569078 /nfs/dbraw/zinc/56/90/78/986569078.db2.gz OLMIOIIYMKJEDG-UHFFFAOYSA-N -1 1 413.430 3.624 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000469064847 986776613 /nfs/dbraw/zinc/77/66/13/986776613.db2.gz VTSMHMKALGDIBC-UHFFFAOYSA-N -1 1 424.438 3.743 20 5 HHBDMM COc1cc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000445179840 987261976 /nfs/dbraw/zinc/26/19/76/987261976.db2.gz JVIINLNDUZLAFL-AWEZNQCLSA-N -1 1 423.425 3.774 20 5 HHBDMM CCc1ccc(-c2csc(NC(=O)Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)n2)cc1 ZINC000445423495 987492021 /nfs/dbraw/zinc/49/20/21/987492021.db2.gz KVGDNYNCULGXGU-UHFFFAOYSA-N -1 1 424.442 3.840 20 5 HHBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000470706493 988727607 /nfs/dbraw/zinc/72/76/07/988727607.db2.gz GDIZLZAWEPACNA-UHFFFAOYSA-N -1 1 413.262 3.725 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(Cl)cc1F ZINC000471116629 989220858 /nfs/dbraw/zinc/22/08/58/989220858.db2.gz OLRBULFCUCAELO-UHFFFAOYSA-N -1 1 410.814 3.887 20 5 HHBDMM CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)ccc2o1 ZINC000471119142 989223853 /nfs/dbraw/zinc/22/38/53/989223853.db2.gz PALSBPBDKATYPS-UHFFFAOYSA-N -1 1 419.415 3.533 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000471134000 989243301 /nfs/dbraw/zinc/24/33/01/989243301.db2.gz PJHRDKDKUXEPGP-UHFFFAOYSA-N -1 1 412.423 3.685 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000466541199 991847445 /nfs/dbraw/zinc/84/74/45/991847445.db2.gz JAXYXEIDOZPLEL-NSHDSACASA-N -1 1 417.306 3.775 20 5 HHBDMM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000466859897 992179936 /nfs/dbraw/zinc/17/99/36/992179936.db2.gz TXRMMRMODXOMFJ-VIFPVBQESA-N -1 1 409.411 3.808 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)C)ccc2Cl)cc1[N+](=O)[O-] ZINC000466961942 992272295 /nfs/dbraw/zinc/27/22/95/992272295.db2.gz RBYVWZGMNHFPDB-UHFFFAOYSA-N -1 1 417.896 3.557 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000467084228 992390871 /nfs/dbraw/zinc/39/08/71/992390871.db2.gz XJUQHFGIPHMUJW-UHFFFAOYSA-N -1 1 408.476 3.566 20 5 HHBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000467091440 992397318 /nfs/dbraw/zinc/39/73/18/992397318.db2.gz QNULMHNBHUSLPG-QGZVFWFLSA-N -1 1 408.457 3.634 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCC(C(F)F)CC1 ZINC000481825599 994676771 /nfs/dbraw/zinc/67/67/71/994676771.db2.gz SEDGOINBSLQJAL-UHFFFAOYSA-N -1 1 411.430 3.877 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000473763709 994678125 /nfs/dbraw/zinc/67/81/25/994678125.db2.gz JMPDBKIVISRLKH-CQSZACIVSA-N -1 1 424.450 3.567 20 5 HHBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000481881030 994745825 /nfs/dbraw/zinc/74/58/25/994745825.db2.gz NWNMKJVDMOUBMD-UHFFFAOYSA-N -1 1 406.324 3.596 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3C[C@@H]3C(C)C)cc2)cc1[N+](=O)[O-] ZINC000475320634 996068417 /nfs/dbraw/zinc/06/84/17/996068417.db2.gz VBXABZVTYYFJPG-MSOLQXFVSA-N -1 1 417.487 3.935 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(F)c1 ZINC000476399805 996855803 /nfs/dbraw/zinc/85/58/03/996855803.db2.gz VIJMJBNGZGAHDO-UHFFFAOYSA-N -1 1 417.418 3.817 20 5 HHBDMM COC(=O)c1cc([N-]C(=O)c2c(F)ccc(Br)c2F)cc([N+](=O)[O-])c1 ZINC000485492891 997945310 /nfs/dbraw/zinc/94/53/10/997945310.db2.gz RIMMAMXYWXPIPQ-UHFFFAOYSA-N -1 1 415.146 3.674 20 5 HHBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486565976 998829880 /nfs/dbraw/zinc/82/98/80/998829880.db2.gz XNGRUQZQKDIGFP-UHFFFAOYSA-N -1 1 407.192 3.577 20 5 HHBDMM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486613975 998857835 /nfs/dbraw/zinc/85/78/35/998857835.db2.gz CDDGSUVUZQBJRR-JGVFFNPUSA-N -1 1 422.294 3.573 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CCOC2(CCC2)C1 ZINC000486912037 999003040 /nfs/dbraw/zinc/00/30/40/999003040.db2.gz IMSSDESBHSZVGB-INIZCTEOSA-N -1 1 417.487 3.909 20 5 HHBDMM CC(C)(C)[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000489741067 999828965 /nfs/dbraw/zinc/82/89/65/999828965.db2.gz XWIICSCJPSPXIS-ZDUSSCGKSA-N -1 1 402.469 3.567 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000491597996 1000087911 /nfs/dbraw/zinc/08/79/11/1000087911.db2.gz BHNUOWWXGSKVOW-UHFFFAOYSA-N -1 1 409.178 3.540 20 5 HHBDMM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000504585367 1000280946 /nfs/dbraw/zinc/28/09/46/1000280946.db2.gz HEEWKMJAVSYDPD-UHFFFAOYSA-N -1 1 404.448 3.593 20 5 HHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)CCc3cccc(Cl)c3)n[nH]2)c1 ZINC000506807631 1001541099 /nfs/dbraw/zinc/54/10/99/1001541099.db2.gz UIJUHPWWEXCGDO-UHFFFAOYSA-N -1 1 406.851 3.623 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C(C)C)CC3)cc2)cc1[N+](=O)[O-] ZINC000508596144 1003054852 /nfs/dbraw/zinc/05/48/52/1003054852.db2.gz BKJSJBBRAMTVHY-UHFFFAOYSA-N -1 1 417.487 3.622 20 5 HHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3nccc3C(F)(F)F)cc2)c1 ZINC000511262888 1005096484 /nfs/dbraw/zinc/09/64/84/1005096484.db2.gz WCKCVNHXZCFFDO-UHFFFAOYSA-N -1 1 412.349 3.600 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000531562964 1006274489 /nfs/dbraw/zinc/27/44/89/1006274489.db2.gz ANPGUUAYOSLBSP-UHFFFAOYSA-N -1 1 404.448 3.578 20 5 HHBDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2[nH]1 ZINC000534682351 1006661525 /nfs/dbraw/zinc/66/15/25/1006661525.db2.gz PCQKKEXIZOEKCR-UHFFFAOYSA-N -1 1 400.338 3.599 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Sc2ccccc2)cc1 ZINC000532620407 1007044034 /nfs/dbraw/zinc/04/40/34/1007044034.db2.gz GZSFIALWHOQDCQ-UHFFFAOYSA-N -1 1 401.469 3.620 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000518657947 1008381965 /nfs/dbraw/zinc/38/19/65/1008381965.db2.gz IVAVRIPIMMREER-LLVKDONJSA-N -1 1 423.878 3.636 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000543635214 1009239357 /nfs/dbraw/zinc/23/93/57/1009239357.db2.gz JTMNXUALCQXIBT-UHFFFAOYSA-N -1 1 406.464 3.542 20 5 HHBDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)cc1C ZINC000551017435 1010319618 /nfs/dbraw/zinc/31/96/18/1010319618.db2.gz PDVQJDHLUICZQP-UHFFFAOYSA-N -1 1 416.814 3.673 20 5 HHBDMM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548469338 1010636371 /nfs/dbraw/zinc/63/63/71/1010636371.db2.gz JQCGTOCXMAAZSE-UHFFFAOYSA-N -1 1 422.781 3.887 20 5 HHBDMM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548749034 1010722243 /nfs/dbraw/zinc/72/22/43/1010722243.db2.gz HWHOGXKQRXQCJU-UHFFFAOYSA-N -1 1 422.781 3.887 20 5 HHBDMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)s2)c1 ZINC000522315598 1010926179 /nfs/dbraw/zinc/92/61/79/1010926179.db2.gz ILNWAIMIFBIOJJ-UHFFFAOYSA-N -1 1 412.427 3.754 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000541073355 1011713762 /nfs/dbraw/zinc/71/37/62/1011713762.db2.gz TXUKBAVYQCTTOY-UHFFFAOYSA-N -1 1 415.427 3.516 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537439060 1012928775 /nfs/dbraw/zinc/92/87/75/1012928775.db2.gz FPZYTRWFOBQARP-KGLIPLIRSA-N -1 1 415.393 3.623 20 5 HHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000611655191 1072146149 /nfs/dbraw/zinc/14/61/49/1072146149.db2.gz SQBSNLKJZRJWLN-UHFFFAOYSA-N -1 1 420.368 3.637 20 5 HHBDMM CC(C)(C)Sc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000760357594 1072275818 /nfs/dbraw/zinc/27/58/18/1072275818.db2.gz VYMWKBHIYBNQBM-UHFFFAOYSA-N -1 1 410.473 3.984 20 5 HHBDMM O=[N+]([O-])c1c(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc2sccn21 ZINC000301406207 970912379 /nfs/dbraw/zinc/91/23/79/970912379.db2.gz GWYAXMYVWUWEFC-UHFFFAOYSA-N -1 1 416.440 3.897 20 5 HHBDMM O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303190350 971550893 /nfs/dbraw/zinc/55/08/93/971550893.db2.gz FMABKTRMELQQHQ-AWEZNQCLSA-N -1 1 414.418 3.765 20 5 HHBDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000008286347 961506009 /nfs/dbraw/zinc/50/60/09/961506009.db2.gz ZVTBSPZQEJMCST-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM CCCCc1nnc([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC000023364318 963808138 /nfs/dbraw/zinc/80/81/38/963808138.db2.gz PWEGEDJFUOTXLY-UHFFFAOYSA-N -1 1 402.379 3.651 20 5 HHBDMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000050534710 964349105 /nfs/dbraw/zinc/34/91/05/964349105.db2.gz YXTLSRLUGYBUIJ-UHFFFAOYSA-N -1 1 407.517 3.566 20 5 HHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccccc3)s2)cc1OC ZINC000028251195 965062485 /nfs/dbraw/zinc/06/24/85/965062485.db2.gz FVFGFDQDSMWADJ-UHFFFAOYSA-N -1 1 400.416 3.773 20 5 HHBDMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029890929 965544217 /nfs/dbraw/zinc/54/42/17/965544217.db2.gz RVNBYDPFGBUVBW-UHFFFAOYSA-N -1 1 423.450 3.599 20 5 HHBDMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)ccc21 ZINC000538012943 1013585588 /nfs/dbraw/zinc/58/55/88/1013585588.db2.gz YXSATYJJXFOBTE-UHFFFAOYSA-N -1 1 417.487 3.702 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCCOCC1CC1 ZINC000061174457 966389468 /nfs/dbraw/zinc/38/94/68/966389468.db2.gz NAGPBLNHDZDMCX-UHFFFAOYSA-N -1 1 405.476 3.624 20 5 HHBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591977 967871992 /nfs/dbraw/zinc/87/19/92/967871992.db2.gz NRTSTAQIZKLILF-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000047339391 968145826 /nfs/dbraw/zinc/14/58/26/968145826.db2.gz BTPJTBDVNRPDSG-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000065832830 968669739 /nfs/dbraw/zinc/66/97/39/968669739.db2.gz RFLBNEQXQHZERN-UHFFFAOYSA-N -1 1 408.476 3.646 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCc2ccccc2)s1 ZINC000066000902 968764249 /nfs/dbraw/zinc/76/42/49/968764249.db2.gz ZKXCPYZKNWEGCK-UHFFFAOYSA-N -1 1 404.469 3.714 20 5 HHBDMM CC(C)n1c(C2CCN(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000097555041 969162021 /nfs/dbraw/zinc/16/20/21/969162021.db2.gz PCYRPSJBPWMSLN-VMPITWQZSA-N -1 1 401.492 3.849 20 5 HHBDMM CCn1c(C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)n[n-]c1=S ZINC000097570239 969163995 /nfs/dbraw/zinc/16/39/95/969163995.db2.gz OHAFHLIQOZCNTJ-UHFFFAOYSA-N -1 1 410.887 3.934 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000146593145 970300456 /nfs/dbraw/zinc/30/04/56/970300456.db2.gz IJPGKHOEHAWYLH-GFCCVEGCSA-N -1 1 402.856 3.903 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOc2c(Cl)cccc21 ZINC000146993130 970314793 /nfs/dbraw/zinc/31/47/93/970314793.db2.gz MNGVJAJLPCOYFR-GFCCVEGCSA-N -1 1 403.243 3.704 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000326631508 972745702 /nfs/dbraw/zinc/74/57/02/972745702.db2.gz VBOZHBSMSBYCEX-UHFFFAOYSA-N -1 1 415.265 3.729 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000409601638 973049406 /nfs/dbraw/zinc/04/94/06/973049406.db2.gz RHACGBGQGKZZKV-UHFFFAOYSA-N -1 1 402.457 4.000 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000426274676 974362876 /nfs/dbraw/zinc/36/28/76/974362876.db2.gz AUJIRDYRVSFGSB-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2s1 ZINC000427273133 975018281 /nfs/dbraw/zinc/01/82/81/975018281.db2.gz FBWKDVWTOOYYHC-UHFFFAOYSA-N -1 1 415.456 3.704 20 5 HHBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000427797446 975294712 /nfs/dbraw/zinc/29/47/12/975294712.db2.gz AVFDHUXMGVIDAF-IBGZPJMESA-N -1 1 416.455 3.881 20 5 HHBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccco1 ZINC000427801650 975297971 /nfs/dbraw/zinc/29/79/71/975297971.db2.gz JDGSTCRHKSRKPL-IBGZPJMESA-N -1 1 402.428 3.573 20 5 HHBDMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000429109524 976390901 /nfs/dbraw/zinc/39/09/01/976390901.db2.gz MHDGHTYQQHHGNZ-UHFFFAOYSA-N -1 1 416.397 3.606 20 5 HHBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000431635087 978398581 /nfs/dbraw/zinc/39/85/81/978398581.db2.gz PEOZXJCZLJAKKS-CYBMUJFWSA-N -1 1 421.219 3.642 20 5 HHBDMM Cc1nc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)cs1 ZINC000432179227 978702119 /nfs/dbraw/zinc/70/21/19/978702119.db2.gz WRYCKOCAYPIVBX-UHFFFAOYSA-N -1 1 419.440 3.526 20 5 HHBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000436501928 981405288 /nfs/dbraw/zinc/40/52/88/981405288.db2.gz BLRORJYEIDYBTK-UHFFFAOYSA-N -1 1 424.359 3.704 20 5 HHBDMM CC(C)([C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000436707074 981522832 /nfs/dbraw/zinc/52/28/32/981522832.db2.gz UFVGGSIKHFXRFU-LJQANCHMSA-N -1 1 419.428 3.924 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436893097 981603456 /nfs/dbraw/zinc/60/34/56/981603456.db2.gz NQPUZKRGOZNJJB-KZULUSFZSA-N -1 1 407.829 3.516 20 5 HHBDMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000436945843 981637820 /nfs/dbraw/zinc/63/78/20/981637820.db2.gz NZHVSYQPGQZCLA-UHFFFAOYSA-N -1 1 410.386 3.718 20 5 HHBDMM CC[C@@H](SC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000437944203 982477349 /nfs/dbraw/zinc/47/73/49/982477349.db2.gz VJVLPOXBEISIGF-QGZVFWFLSA-N -1 1 423.516 3.784 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c1[N+](=O)[O-] ZINC000461112954 982802891 /nfs/dbraw/zinc/80/28/91/982802891.db2.gz NZNPPTJKXMGWSU-VWLOTQADSA-N -1 1 416.908 3.544 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-]c2cc(C3CCC(C(C)(C)C)CC3)n[nH]2)c([N+](=O)[O-])n1 ZINC000443405995 985560950 /nfs/dbraw/zinc/56/09/50/985560950.db2.gz CPWRJYPLRVXNHE-UHFFFAOYSA-N -1 1 424.527 3.655 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000443422214 985578710 /nfs/dbraw/zinc/57/87/10/985578710.db2.gz HCGMTKDJPMVBJE-UHFFFAOYSA-N -1 1 408.329 3.784 20 5 HHBDMM CC(C)[C@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCS1 ZINC000463004519 985955843 /nfs/dbraw/zinc/95/58/43/985955843.db2.gz ACCKKXITKAQIPU-LJQANCHMSA-N -1 1 421.544 3.973 20 5 HHBDMM CCCOc1ccc(CN(CCC)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000444860837 987018003 /nfs/dbraw/zinc/01/80/03/987018003.db2.gz RAFYLNCLZSGWLC-UHFFFAOYSA-N -1 1 403.435 3.545 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000444992758 987121249 /nfs/dbraw/zinc/12/12/49/987121249.db2.gz OORXBVQZFBNJQG-OAHLLOKOSA-N -1 1 413.821 3.716 20 5 HHBDMM Cc1cc(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ncc1[N+](=O)[O-] ZINC000470863470 988935337 /nfs/dbraw/zinc/93/53/37/988935337.db2.gz UBUFMGUZDVXGCB-UHFFFAOYSA-N -1 1 412.471 3.735 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000471883596 990057043 /nfs/dbraw/zinc/05/70/43/990057043.db2.gz KQEFAVWXFNIQBP-INIZCTEOSA-N -1 1 409.876 3.773 20 5 HHBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000466860337 992179814 /nfs/dbraw/zinc/17/98/14/992179814.db2.gz YXSSRSMZPQWBBR-VIFPVBQESA-N -1 1 409.411 3.808 20 5 HHBDMM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000467795165 993030511 /nfs/dbraw/zinc/03/05/11/993030511.db2.gz BLNLMWKASAJPAK-RDJZCZTQSA-N -1 1 410.879 3.755 20 5 HHBDMM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000475494580 996178618 /nfs/dbraw/zinc/17/86/18/996178618.db2.gz RPMAOZYVIUHGCG-UHFFFAOYSA-N -1 1 423.391 3.667 20 5 HHBDMM CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000484212716 996638317 /nfs/dbraw/zinc/63/83/17/996638317.db2.gz RBUORRZSIMLGIL-AWEZNQCLSA-N -1 1 409.446 3.646 20 5 HHBDMM O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484263328 996666981 /nfs/dbraw/zinc/66/69/81/996666981.db2.gz VKWSYWUXNZFUFU-HHKQBGFESA-N -1 1 401.422 3.723 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c(Cl)c1 ZINC000484792970 997144227 /nfs/dbraw/zinc/14/42/27/997144227.db2.gz ZCMYEWLLWMVPAU-ONGXEEELSA-N -1 1 400.806 3.895 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000485037237 997402390 /nfs/dbraw/zinc/40/23/90/997402390.db2.gz WZWQOPOOJFGERR-UHFFFAOYSA-N -1 1 405.215 3.709 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000479281047 999363187 /nfs/dbraw/zinc/36/31/87/999363187.db2.gz LXPAQFHXJNOKNP-UHFFFAOYSA-N -1 1 413.864 3.976 20 5 HHBDMM CCOC1(C)CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000488450524 999490336 /nfs/dbraw/zinc/49/03/36/999490336.db2.gz SJUJZOYWXYRRBT-UHFFFAOYSA-N -1 1 419.503 3.791 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000488649340 999558129 /nfs/dbraw/zinc/55/81/29/999558129.db2.gz ZPPLUYHAUMFMIO-UHFFFAOYSA-N -1 1 411.277 3.582 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1[N+](=O)[O-] ZINC000480224059 999749756 /nfs/dbraw/zinc/74/97/56/999749756.db2.gz LNGNVNJEZQOIQZ-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM CC(C)(C)[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000489741066 999828850 /nfs/dbraw/zinc/82/88/50/999828850.db2.gz XWIICSCJPSPXIS-CYBMUJFWSA-N -1 1 402.469 3.567 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000491591810 1000087068 /nfs/dbraw/zinc/08/70/68/1000087068.db2.gz OQTKIIOIBGAIAB-UHFFFAOYSA-N -1 1 424.438 3.948 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000491608966 1000090047 /nfs/dbraw/zinc/09/00/47/1000090047.db2.gz CTLPYZJWTMBZHL-UHFFFAOYSA-N -1 1 423.878 3.558 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1[N+](=O)[O-] ZINC000491721536 1000093400 /nfs/dbraw/zinc/09/34/00/1000093400.db2.gz STVJAGJSGFEZAL-OALUTQOASA-N -1 1 420.487 3.695 20 5 HHBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)n[nH]1 ZINC000491833822 1000096602 /nfs/dbraw/zinc/09/66/02/1000096602.db2.gz WYRDTGQFYJTLDY-UHFFFAOYSA-N -1 1 402.432 3.836 20 5 HHBDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000491853024 1000097430 /nfs/dbraw/zinc/09/74/30/1000097430.db2.gz PLHOZYUSDZAKIP-CQSZACIVSA-N -1 1 405.476 3.541 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)cc1[N+](=O)[O-] ZINC000493107307 1000158053 /nfs/dbraw/zinc/15/80/53/1000158053.db2.gz RDOHZHWHXPWEQH-UHFFFAOYSA-N -1 1 423.454 3.722 20 5 HHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000504512824 1000243700 /nfs/dbraw/zinc/24/37/00/1000243700.db2.gz KCGDEXBSJQCHFM-UHFFFAOYSA-N -1 1 400.338 3.599 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c(Br)c1 ZINC000508130642 1002662455 /nfs/dbraw/zinc/66/24/55/1002662455.db2.gz HEDMYGUVXWLYGC-UHFFFAOYSA-N -1 1 413.240 3.604 20 5 HHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1O ZINC000499286363 1002696999 /nfs/dbraw/zinc/69/69/99/1002696999.db2.gz KPFNSERGKNCURO-UHFFFAOYSA-N -1 1 412.467 3.876 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccoc2)c1 ZINC000500366107 1003663437 /nfs/dbraw/zinc/66/34/37/1003663437.db2.gz WNXIEYBQBOCMIN-UHFFFAOYSA-N -1 1 401.400 3.549 20 5 HHBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)c1[N+](=O)[O-] ZINC000512355141 1004242149 /nfs/dbraw/zinc/24/21/49/1004242149.db2.gz RGSPTPWARMBTRH-UHFFFAOYSA-N -1 1 424.895 3.686 20 5 HHBDMM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)s1 ZINC000539410208 1007717386 /nfs/dbraw/zinc/71/73/86/1007717386.db2.gz UFDTXYAICWSDLN-UHFFFAOYSA-N -1 1 419.492 3.701 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2nc(C)no2)ccc1C ZINC000520768001 1009836572 /nfs/dbraw/zinc/83/65/72/1009836572.db2.gz OLWOJWDTKAWZOJ-UHFFFAOYSA-N -1 1 402.432 3.625 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOc1cccc2cccnc21 ZINC000520895636 1009949817 /nfs/dbraw/zinc/94/98/17/1009949817.db2.gz PLXCZRFDEUPMKB-UHFFFAOYSA-N -1 1 421.862 3.544 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c1 ZINC000544621641 1010245131 /nfs/dbraw/zinc/24/51/31/1010245131.db2.gz DBKVGLRSEXCDLP-UHFFFAOYSA-N -1 1 413.455 3.986 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(NC(=O)C2CC2)ccc1C ZINC000521415731 1010362831 /nfs/dbraw/zinc/36/28/31/1010362831.db2.gz FVXDKZYNRNTLGJ-UHFFFAOYSA-N -1 1 403.460 3.615 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(NC(=O)C(C)C)ccc1C ZINC000521415786 1010362935 /nfs/dbraw/zinc/36/29/35/1010362935.db2.gz KYESNWBMYHEYLM-UHFFFAOYSA-N -1 1 405.476 3.861 20 5 HHBDMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000548205802 1010561066 /nfs/dbraw/zinc/56/10/66/1010561066.db2.gz MPMILUDROCEHCW-UHFFFAOYSA-N -1 1 418.349 3.729 20 5 HHBDMM O=C([O-])c1cc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000548240455 1010569655 /nfs/dbraw/zinc/56/96/55/1010569655.db2.gz FBXWFYCWKXYLLQ-UHFFFAOYSA-N -1 1 405.215 3.542 20 5 HHBDMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C1 ZINC000545184543 1010675239 /nfs/dbraw/zinc/67/52/39/1010675239.db2.gz PHUHLFLTCOEFPS-UHFFFAOYSA-N -1 1 405.476 3.520 20 5 HHBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OCC(F)(F)F ZINC000523123413 1011589795 /nfs/dbraw/zinc/58/97/95/1011589795.db2.gz FFPVMSPJJNVLKN-UHFFFAOYSA-N -1 1 404.366 3.954 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] ZINC000541074917 1011715520 /nfs/dbraw/zinc/71/55/20/1011715520.db2.gz WRLXGDRPABUCQI-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000523837646 1012527812 /nfs/dbraw/zinc/52/78/12/1012527812.db2.gz LOTGGSXQQZBDAD-AREMUKBSSA-N -1 1 410.517 3.751 20 5 HHBDMM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(C2CCC2)CCC1 ZINC001212080136 1072064978 /nfs/dbraw/zinc/06/49/78/1072064978.db2.gz OBSSWXZMQHXVPF-UHFFFAOYSA-N -1 1 421.288 3.745 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)Cc2cn(C)c3ccc(F)cc23)cc1F ZINC001212145708 1072565328 /nfs/dbraw/zinc/56/53/28/1072565328.db2.gz QHSHJUDSOSFANB-LBPRGKRZSA-N -1 1 423.441 3.583 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000571604669 1072678265 /nfs/dbraw/zinc/67/82/65/1072678265.db2.gz HYNLHWVUEJUKLC-GFCCVEGCSA-N -1 1 408.423 3.664 20 5 HHBDMM O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000590356346 1073759757 /nfs/dbraw/zinc/75/97/57/1073759757.db2.gz NJRAKOIYKJBBFJ-UHFFFAOYSA-N -1 1 418.475 3.738 20 5 HHBDMM CO[C@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301432763 970925471 /nfs/dbraw/zinc/92/54/71/970925471.db2.gz GLTRQDHIQWUTEL-MJGOQNOKSA-N -1 1 405.476 3.765 20 5 HHBDMM Cn1c2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2nc1C(C)(C)C ZINC000302073694 971169515 /nfs/dbraw/zinc/16/95/15/971169515.db2.gz HWZSGFOOWXQMBJ-UHFFFAOYSA-N -1 1 408.505 3.988 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000302187454 971202119 /nfs/dbraw/zinc/20/21/19/971202119.db2.gz WFIRPVGSFJUVFX-UZLBHIALSA-N -1 1 417.487 3.765 20 5 HHBDMM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302926723 971401052 /nfs/dbraw/zinc/40/10/52/971401052.db2.gz AVNMZWVNUCWBFX-UHFFFAOYSA-N -1 1 409.446 3.571 20 5 HHBDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 ZINC000542217297 1013166109 /nfs/dbraw/zinc/16/61/09/1013166109.db2.gz GLDMVCSDDQTZFI-UHFFFAOYSA-N -1 1 400.460 3.521 20 5 HHBDMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000022405444 963645779 /nfs/dbraw/zinc/64/57/79/963645779.db2.gz DVQKJLBTBGOEOW-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)c1C ZINC000050534247 964348753 /nfs/dbraw/zinc/34/87/53/964348753.db2.gz POXLSKZSALFWFB-UHFFFAOYSA-N -1 1 417.487 3.525 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000025801779 964359438 /nfs/dbraw/zinc/35/94/38/964359438.db2.gz FUCABPWHKLNKKO-UHFFFAOYSA-N -1 1 419.503 3.870 20 5 HHBDMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000028781908 965180756 /nfs/dbraw/zinc/18/07/56/965180756.db2.gz OJNKLCKOFZZVSO-JXMROGBWSA-N -1 1 404.444 3.589 20 5 HHBDMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000058141752 965636350 /nfs/dbraw/zinc/63/63/50/965636350.db2.gz PZKOCCYASNZEDL-UHFFFAOYSA-N -1 1 423.353 3.519 20 5 HHBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000058255504 965666308 /nfs/dbraw/zinc/66/63/08/965666308.db2.gz IZDVZLAIXGUBAW-UHFFFAOYSA-N -1 1 411.439 3.577 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000055619857 965966781 /nfs/dbraw/zinc/96/67/81/965966781.db2.gz POIMJSGGEMFULW-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cc([N+](=O)[O-])c1 ZINC000056248674 966273006 /nfs/dbraw/zinc/27/30/06/966273006.db2.gz KZFVVIYIAHXKEZ-UHFFFAOYSA-N -1 1 418.818 3.806 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000065079898 967368511 /nfs/dbraw/zinc/36/85/11/967368511.db2.gz IEBKZDZNHOFEHW-UHFFFAOYSA-N -1 1 401.400 3.592 20 5 HHBDMM COc1cc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)c([N+](=O)[O-])cc1OC ZINC000065083414 967369712 /nfs/dbraw/zinc/36/97/12/967369712.db2.gz YTXDBYCNKMOHNF-UHFFFAOYSA-N -1 1 414.443 4.000 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000146248699 970284510 /nfs/dbraw/zinc/28/45/10/970284510.db2.gz NXWIDTXCTPCQHS-YOEHRIQHSA-N -1 1 410.879 3.694 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000318555537 972663796 /nfs/dbraw/zinc/66/37/96/972663796.db2.gz NDXWTGWARKKCOV-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410421894 974019581 /nfs/dbraw/zinc/01/95/81/974019581.db2.gz WUTLKKAFMIGMPR-UHFFFAOYSA-N -1 1 423.205 3.628 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000427340719 975064272 /nfs/dbraw/zinc/06/42/72/975064272.db2.gz WTVFXNNXYQFOCZ-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(N2CCc3ccccc3C2)c1 ZINC000427644972 975221880 /nfs/dbraw/zinc/22/18/80/975221880.db2.gz LGCFNLNNIOFPMZ-UHFFFAOYSA-N -1 1 424.482 3.662 20 5 HHBDMM Cc1sc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] ZINC000432579237 978897897 /nfs/dbraw/zinc/89/78/97/978897897.db2.gz OAYNSGKCZOKJGF-CYBMUJFWSA-N -1 1 400.485 4.537 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)c(Cl)c1 ZINC000432973978 979030414 /nfs/dbraw/zinc/03/04/14/979030414.db2.gz XQCYSFMAMOBNGI-ZDUSSCGKSA-N -1 1 412.748 3.811 20 5 HHBDMM Cc1cc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)co1 ZINC000435819798 981044867 /nfs/dbraw/zinc/04/48/67/981044867.db2.gz TZXYJBOWGGMQPU-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM COc1cccc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1[N+](=O)[O-] ZINC000436012604 981154252 /nfs/dbraw/zinc/15/42/52/981154252.db2.gz JZXXXXVAZKDHHT-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436986482 981668634 /nfs/dbraw/zinc/66/86/34/981668634.db2.gz JTXIEAGUPIPSJC-ACJLOTCBSA-N -1 1 407.829 3.516 20 5 HHBDMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000462382821 985366124 /nfs/dbraw/zinc/36/61/24/985366124.db2.gz FCMUMTKWFXKSMD-UHFFFAOYSA-N -1 1 401.444 3.979 20 5 HHBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000462396126 985374972 /nfs/dbraw/zinc/37/49/72/985374972.db2.gz NVRPYNYQUYKMFZ-AWEZNQCLSA-N -1 1 401.897 3.751 20 5 HHBDMM O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444382114 986556710 /nfs/dbraw/zinc/55/67/10/986556710.db2.gz PPQNEZZJGFLNDD-UHFFFAOYSA-N -1 1 415.421 3.683 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000444992756 987121043 /nfs/dbraw/zinc/12/10/43/987121043.db2.gz OORXBVQZFBNJQG-HNNXBMFYSA-N -1 1 413.821 3.716 20 5 HHBDMM O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445183563 987264392 /nfs/dbraw/zinc/26/43/92/987264392.db2.gz NAHXVCIEMBSGFA-HXUWFJFHSA-N -1 1 405.410 3.540 20 5 HHBDMM COc1cc(-c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000445399417 987456632 /nfs/dbraw/zinc/45/66/32/987456632.db2.gz BGQWVLXAXPBBED-UHFFFAOYSA-N -1 1 410.155 3.928 20 5 HHBDMM C[C@@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccc(Cl)cc1Cl ZINC000445767471 987829609 /nfs/dbraw/zinc/82/96/09/987829609.db2.gz SOFSHENIDJCXQC-MRVPVSSYSA-N -1 1 410.217 3.700 20 5 HHBDMM CC(C)C[C@H](CCO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000467011477 992319150 /nfs/dbraw/zinc/31/91/50/992319150.db2.gz YCVCSSASXKGMOV-INIZCTEOSA-N -1 1 421.519 3.852 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1CC(=O)OC(C)(C)C ZINC000467082050 992387924 /nfs/dbraw/zinc/38/79/24/992387924.db2.gz RWQQWKDCUPFPEJ-UHFFFAOYSA-N -1 1 406.460 3.588 20 5 HHBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000467091439 992397542 /nfs/dbraw/zinc/39/75/42/992397542.db2.gz QNULMHNBHUSLPG-KRWDZBQOSA-N -1 1 408.457 3.634 20 5 HHBDMM CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nn[n-]n1 ZINC000467789245 993024956 /nfs/dbraw/zinc/02/49/56/993024956.db2.gz PFHMEFJXNRJNCY-UHFFFAOYSA-N -1 1 418.866 3.578 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H](CO)c3ccccc3OC(F)(F)F)n2)cc1 ZINC000480784969 993653157 /nfs/dbraw/zinc/65/31/57/993653157.db2.gz FMPRKEBBIXLWEZ-ZDUSSCGKSA-N -1 1 410.308 3.689 20 5 HHBDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1)C(C)C ZINC000481978137 994872323 /nfs/dbraw/zinc/87/23/23/994872323.db2.gz ZKHXCBWRKMLQMH-UHFFFAOYSA-N -1 1 419.503 3.769 20 5 HHBDMM O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)nc1 ZINC000474779272 995705503 /nfs/dbraw/zinc/70/55/03/995705503.db2.gz GWUGIRLULKSMLW-UHFFFAOYSA-N -1 1 402.407 3.542 20 5 HHBDMM Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC000475828400 996397820 /nfs/dbraw/zinc/39/78/20/996397820.db2.gz PTTYEUWYCIQIMG-UHFFFAOYSA-N -1 1 419.440 3.526 20 5 HHBDMM COc1cc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000484250428 996658763 /nfs/dbraw/zinc/65/87/63/996658763.db2.gz COAPEVFXKHNUGZ-GFCCVEGCSA-N -1 1 401.419 3.516 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)ccc1F ZINC000485398414 997828012 /nfs/dbraw/zinc/82/80/12/997828012.db2.gz KPMJRFIQQMHRPO-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM O=C([N-]c1cc2c(cc1F)NC(=O)CC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000485704715 998169166 /nfs/dbraw/zinc/16/91/66/998169166.db2.gz LVLHCYAUUBPMHV-UHFFFAOYSA-N -1 1 414.212 3.695 20 5 HHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000486091399 998538058 /nfs/dbraw/zinc/53/80/58/998538058.db2.gz XLOVMONPGJFGLV-UHFFFAOYSA-N -1 1 410.496 3.776 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000488276908 999420740 /nfs/dbraw/zinc/42/07/40/999420740.db2.gz FQBQTCIEMMDZHD-UHFFFAOYSA-N -1 1 410.423 3.865 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000479558442 999477390 /nfs/dbraw/zinc/47/73/90/999477390.db2.gz XKAMEFXDNJBGHR-UHFFFAOYSA-N -1 1 424.740 3.766 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000488818202 999617412 /nfs/dbraw/zinc/61/74/12/999617412.db2.gz BJXRHRKKLHBSHI-UHFFFAOYSA-N -1 1 419.684 3.532 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000480063144 999706437 /nfs/dbraw/zinc/70/64/37/999706437.db2.gz BDIRHRYKYBLEQT-ZDUSSCGKSA-N -1 1 400.815 3.580 20 5 HHBDMM O=C(Nc1nnc(-c2cc(Br)ccc2F)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000500852794 1004003253 /nfs/dbraw/zinc/00/32/53/1004003253.db2.gz LUYHLJXEOLZUPY-UHFFFAOYSA-N -1 1 412.200 3.595 20 5 HHBDMM CS[C@@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000535232854 1007286147 /nfs/dbraw/zinc/28/61/47/1007286147.db2.gz FQDGCCAOKUZOLK-ZDUSSCGKSA-N -1 1 423.516 3.784 20 5 HHBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Cl ZINC000544098269 1009708654 /nfs/dbraw/zinc/70/86/54/1009708654.db2.gz DYCFOQHWZIYAHY-UHFFFAOYSA-N -1 1 419.242 3.797 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000520838938 1009894667 /nfs/dbraw/zinc/89/46/67/1009894667.db2.gz UAPBGCPSIVVAFP-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000544647421 1010272406 /nfs/dbraw/zinc/27/24/06/1010272406.db2.gz KTTBOHHIQRURDA-UHFFFAOYSA-N -1 1 424.500 3.668 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000551357304 1010536974 /nfs/dbraw/zinc/53/69/74/1010536974.db2.gz BVMQGQDYTZWVRZ-UHFFFAOYSA-N -1 1 419.503 3.868 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnc(-c3ccc(Cl)cc3)s2)s1 ZINC000551481921 1010613819 /nfs/dbraw/zinc/61/38/19/1010613819.db2.gz BCXJVVHLUQIMPR-UHFFFAOYSA-N -1 1 415.905 3.912 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1Br ZINC000536460083 1011679444 /nfs/dbraw/zinc/67/94/44/1011679444.db2.gz QKYLKUIOJDMDPW-UHFFFAOYSA-N -1 1 415.265 3.865 20 5 HHBDMM O=C(COc1ccccc1[N+](=O)[O-])Nc1c([O-])cc(Br)cc1Cl ZINC000552026450 1012053954 /nfs/dbraw/zinc/05/39/54/1012053954.db2.gz OZUANXFZJGNGAL-UHFFFAOYSA-N -1 1 401.600 3.734 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000523534233 1012064022 /nfs/dbraw/zinc/06/40/22/1012064022.db2.gz VSVDROTUVGQCQM-AWEZNQCLSA-N -1 1 412.851 3.525 20 5 HHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(CN2CCSCC2)cc1C ZINC000537031002 1012344255 /nfs/dbraw/zinc/34/42/55/1012344255.db2.gz RZDDBGBWZGCPDH-UHFFFAOYSA-N -1 1 421.544 3.561 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 ZINC000541799694 1012676565 /nfs/dbraw/zinc/67/65/65/1012676565.db2.gz YQEQMEPUTPLQHQ-UHFFFAOYSA-N -1 1 413.459 3.675 20 5 HHBDMM CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000541805182 1012687858 /nfs/dbraw/zinc/68/78/58/1012687858.db2.gz WANPJOMEILSBHJ-UHFFFAOYSA-N -1 1 422.459 3.799 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1F ZINC000760340153 1072262620 /nfs/dbraw/zinc/26/26/20/1072262620.db2.gz WVEQKYUOFWLZTD-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM CNc1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000571013946 1072546937 /nfs/dbraw/zinc/54/69/37/1072546937.db2.gz VIKUIVBSIKKSRH-UHFFFAOYSA-N -1 1 421.207 3.830 20 5 HHBDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1F ZINC000555129323 1073180364 /nfs/dbraw/zinc/18/03/64/1073180364.db2.gz JRRJXSPNGMATGR-UHFFFAOYSA-N -1 1 416.814 3.592 20 5 HHBDMM O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000590348006 1073753328 /nfs/dbraw/zinc/75/33/28/1073753328.db2.gz CQZBRQLLGNNYTI-GFCCVEGCSA-N -1 1 418.475 3.738 20 5 HHBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 ZINC000590355327 1073759371 /nfs/dbraw/zinc/75/93/71/1073759371.db2.gz OOKLEJOMHPSTDM-UHFFFAOYSA-N -1 1 404.448 3.782 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c(F)cc1[N+](=O)[O-] ZINC000590598305 1073933750 /nfs/dbraw/zinc/93/37/50/1073933750.db2.gz VDDNOKJKWKTZDW-UHFFFAOYSA-N -1 1 416.814 3.658 20 5 HHBDMM Cc1ccc(NCCCNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c([N+](=O)[O-])c1 ZINC000301395933 970907118 /nfs/dbraw/zinc/90/71/18/970907118.db2.gz MDRMZWVBFYCFAW-UHFFFAOYSA-N -1 1 408.462 3.992 20 5 HHBDMM CC1(C)C[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000301819659 971075404 /nfs/dbraw/zinc/07/54/04/971075404.db2.gz LBMQVGRSVNUEGP-OAHLLOKOSA-N -1 1 405.476 3.765 20 5 HHBDMM C[C@H](c1ccccn1)N(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000302003529 971149810 /nfs/dbraw/zinc/14/98/10/971149810.db2.gz YEFSMZAZLGXOKA-OAHLLOKOSA-N -1 1 412.471 3.988 20 5 HHBDMM CN(Cc1ccc(O)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000302659768 971273389 /nfs/dbraw/zinc/27/33/89/971273389.db2.gz OSGUSLQRLRYKMZ-UHFFFAOYSA-N -1 1 413.455 3.738 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H](O)C1CCCCC1 ZINC000524324461 1013143199 /nfs/dbraw/zinc/14/31/99/1013143199.db2.gz GKXHTWOGYZDGKC-FQEVSTJZSA-N -1 1 419.503 3.749 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000008202119 961473835 /nfs/dbraw/zinc/47/38/35/961473835.db2.gz CIAOTBSHCISQIL-UHFFFAOYSA-N -1 1 417.487 3.767 20 5 HHBDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000553570186 1013466942 /nfs/dbraw/zinc/46/69/42/1013466942.db2.gz RADRQQGABLLENA-VXJOIVPMSA-N -1 1 420.340 3.553 20 5 HHBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050333082 964311665 /nfs/dbraw/zinc/31/16/65/964311665.db2.gz RNTWEVRZAWHDTL-UHFFFAOYSA-N -1 1 410.440 3.884 20 5 HHBDMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000054779024 965642046 /nfs/dbraw/zinc/64/20/46/965642046.db2.gz BSLQRIIBUGTSPD-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM C[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000054980469 965717906 /nfs/dbraw/zinc/71/79/06/965717906.db2.gz BHMAWNLOLRWHRV-JTQLQIEISA-N -1 1 412.324 3.639 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC000058511553 965763669 /nfs/dbraw/zinc/76/36/69/965763669.db2.gz VZASQVGDBJBHGU-GFCCVEGCSA-N -1 1 404.416 3.614 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000065832787 968669695 /nfs/dbraw/zinc/66/96/95/968669695.db2.gz YQTKZIUKEYNUCJ-UHFFFAOYSA-N -1 1 422.503 3.900 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000108028211 969352298 /nfs/dbraw/zinc/35/22/98/969352298.db2.gz DNRZCPGXICZNPZ-UHFFFAOYSA-N -1 1 406.851 3.602 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccnc(Oc2ccccc2)c1 ZINC000146820111 970309652 /nfs/dbraw/zinc/30/96/52/970309652.db2.gz LRLOIGLUEGZBCO-UHFFFAOYSA-N -1 1 419.846 3.914 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c([N+](=O)[O-])c1 ZINC000322258555 972698995 /nfs/dbraw/zinc/69/89/95/972698995.db2.gz RXRHKDNOWHBQSE-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431635089 978398682 /nfs/dbraw/zinc/39/86/82/978398682.db2.gz PEOZXJCZLJAKKS-ZDUSSCGKSA-N -1 1 421.219 3.642 20 5 HHBDMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431857585 978554975 /nfs/dbraw/zinc/55/49/75/978554975.db2.gz ZEZNQRUSXLWNGU-UHFFFAOYSA-N -1 1 406.171 3.534 20 5 HHBDMM CCC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000434779485 980394985 /nfs/dbraw/zinc/39/49/85/980394985.db2.gz VUXRDNYVXHIHOZ-CQSZACIVSA-N -1 1 416.825 3.825 20 5 HHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)[nH]n2)c1 ZINC000434969418 980539752 /nfs/dbraw/zinc/53/97/52/980539752.db2.gz YFGWWPFNAFIILB-UHFFFAOYSA-N -1 1 412.349 3.805 20 5 HHBDMM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436636582 981486353 /nfs/dbraw/zinc/48/63/53/981486353.db2.gz ZEQBUQOXAHRDSM-UHFFFAOYSA-N -1 1 403.866 3.596 20 5 HHBDMM Cc1c(=O)[n-]c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nc1-c1ccccc1 ZINC000460423510 982210854 /nfs/dbraw/zinc/21/08/54/982210854.db2.gz CNRPIHHTUWDCHZ-UHFFFAOYSA-N -1 1 422.466 3.747 20 5 HHBDMM Cc1c(=O)[n-]c(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nc1-c1ccccc1 ZINC000460443352 982234565 /nfs/dbraw/zinc/23/45/65/982234565.db2.gz LBZBQNHXMUNYCT-KRWDZBQOSA-N -1 1 422.466 3.963 20 5 HHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442840037 985239580 /nfs/dbraw/zinc/23/95/80/985239580.db2.gz ZIWOYXUAAYVOSJ-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM CCN(Cc1ccccn1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000443506877 985677462 /nfs/dbraw/zinc/67/74/62/985677462.db2.gz DJSRSDDFPPXBKB-UHFFFAOYSA-N -1 1 412.471 3.817 20 5 HHBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000443963245 986170564 /nfs/dbraw/zinc/17/05/64/986170564.db2.gz SNCDDZIRSSCVGC-UHFFFAOYSA-N -1 1 423.391 3.667 20 5 HHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000463438256 986415819 /nfs/dbraw/zinc/41/58/19/986415819.db2.gz WNVBOZVVXLZKIV-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(Cl)c1 ZINC000463519661 986496705 /nfs/dbraw/zinc/49/67/05/986496705.db2.gz VFPVIQZUGRZQIE-UHFFFAOYSA-N -1 1 420.834 3.556 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000444830211 986987492 /nfs/dbraw/zinc/98/74/92/986987492.db2.gz UTZOBPUGZZKBNW-UHFFFAOYSA-N -1 1 418.862 3.978 20 5 HHBDMM O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445183562 987264305 /nfs/dbraw/zinc/26/43/05/987264305.db2.gz NAHXVCIEMBSGFA-FQEVSTJZSA-N -1 1 405.410 3.540 20 5 HHBDMM O=C([N-]c1cc2c(cc1F)CCC(=O)N2)c1sc(Br)cc1[N+](=O)[O-] ZINC000445256643 987311541 /nfs/dbraw/zinc/31/15/41/987311541.db2.gz ASOLLDFQCRFQOU-UHFFFAOYSA-N -1 1 414.212 3.695 20 5 HHBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(OC)c3)n2)cc(Br)c1[O-] ZINC000445396243 987453228 /nfs/dbraw/zinc/45/32/28/987453228.db2.gz WFUXNQCAKCXFGZ-UHFFFAOYSA-N -1 1 422.191 3.797 20 5 HHBDMM C[C@H](NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccc(Cl)cc1Cl ZINC000445767472 987829664 /nfs/dbraw/zinc/82/96/64/987829664.db2.gz SOFSHENIDJCXQC-QMMMGPOBSA-N -1 1 410.217 3.700 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000470441815 988416213 /nfs/dbraw/zinc/41/62/13/988416213.db2.gz GRIOZZQRDDJXFT-UHFFFAOYSA-N -1 1 415.265 3.865 20 5 HHBDMM C[C@H](CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccc(Cl)c(Cl)c1 ZINC000470726490 988755126 /nfs/dbraw/zinc/75/51/26/988755126.db2.gz NIIOOXXCDZBPEO-SECBINFHSA-N -1 1 400.218 3.542 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000471113521 989216653 /nfs/dbraw/zinc/21/66/53/989216653.db2.gz AUJRIPBBQNNWBW-UHFFFAOYSA-N -1 1 420.443 3.553 20 5 HHBDMM Cc1c(COC(C)(C)C)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471119506 989225023 /nfs/dbraw/zinc/22/50/23/989225023.db2.gz VFDODNZMSRQDPB-UHFFFAOYSA-N -1 1 422.459 3.717 20 5 HHBDMM CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000471131162 989240106 /nfs/dbraw/zinc/24/01/06/989240106.db2.gz AQBBNULCBZMFNJ-UHFFFAOYSA-N -1 1 414.823 3.536 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)ccc1[N+](=O)[O-] ZINC000471134531 989244474 /nfs/dbraw/zinc/24/44/74/989244474.db2.gz TWVOSIGBEKJBIF-UHFFFAOYSA-N -1 1 419.440 3.581 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccc2)ccc1[N+](=O)[O-] ZINC000471138218 989248770 /nfs/dbraw/zinc/24/87/70/989248770.db2.gz WBHVVHQUDRTILZ-UHFFFAOYSA-N -1 1 421.818 3.538 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC1(CCO)CCCC1 ZINC000467029396 992337985 /nfs/dbraw/zinc/33/79/85/992337985.db2.gz UCECBZLOZGLKEV-UHFFFAOYSA-N -1 1 419.503 3.750 20 5 HHBDMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481953059 994834897 /nfs/dbraw/zinc/83/48/97/994834897.db2.gz BJUORUJWRYXTII-UHFFFAOYSA-N -1 1 421.544 3.874 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000481960738 994847322 /nfs/dbraw/zinc/84/73/22/994847322.db2.gz DOBGIUMCRZUFJR-UHFFFAOYSA-N -1 1 422.503 3.874 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000481971378 994862658 /nfs/dbraw/zinc/86/26/58/994862658.db2.gz SJBFNSJLNYZLQE-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1Br ZINC000475788730 996371701 /nfs/dbraw/zinc/37/17/01/996371701.db2.gz GYZSZJIDKPLDDK-UHFFFAOYSA-N -1 1 419.228 3.696 20 5 HHBDMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2s1 ZINC000475790806 996373427 /nfs/dbraw/zinc/37/34/27/996373427.db2.gz AXYASVQIRDEFQU-UHFFFAOYSA-N -1 1 406.441 3.787 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000475797555 996377289 /nfs/dbraw/zinc/37/72/89/996377289.db2.gz MEJUTRAEJKQTTR-UHFFFAOYSA-N -1 1 423.344 3.518 20 5 HHBDMM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000484212717 996638423 /nfs/dbraw/zinc/63/84/23/996638423.db2.gz RBUORRZSIMLGIL-CQSZACIVSA-N -1 1 409.446 3.646 20 5 HHBDMM CCCCCOc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000484263308 996666866 /nfs/dbraw/zinc/66/68/66/996666866.db2.gz VGOJENCIRHLMCZ-CYBMUJFWSA-N -1 1 403.435 3.764 20 5 HHBDMM CCCCCOc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000484263309 996666991 /nfs/dbraw/zinc/66/69/91/996666991.db2.gz VGOJENCIRHLMCZ-ZDUSSCGKSA-N -1 1 403.435 3.764 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000484620254 996954664 /nfs/dbraw/zinc/95/46/64/996954664.db2.gz NRXLLWOLZVIEGE-RBUKOAKNSA-N -1 1 420.487 3.695 20 5 HHBDMM Cc1ccc(Sc2ccc(/C=C/c3cc(=O)n4[n-]cnc4n3)cc2[N+](=O)[O-])cc1 ZINC000486121039 998569597 /nfs/dbraw/zinc/56/95/97/998569597.db2.gz AHMYCCCCPWJUET-GQCTYLIASA-N -1 1 405.439 3.956 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1[N+](=O)[O-] ZINC000488275623 999420524 /nfs/dbraw/zinc/42/05/24/999420524.db2.gz APQBBNRHWWAYKY-UHFFFAOYSA-N -1 1 417.418 3.914 20 5 HHBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000488327981 999442458 /nfs/dbraw/zinc/44/24/58/999442458.db2.gz FURJFGHZGUBHMP-UHFFFAOYSA-N -1 1 401.238 3.557 20 5 HHBDMM CCn1nc(C)c([N+](=O)[O-])c1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000480008933 999684583 /nfs/dbraw/zinc/68/45/83/999684583.db2.gz BPRDUMSXMJCQBR-UHFFFAOYSA-N -1 1 402.432 3.713 20 5 HHBDMM Cc1ccc(NCCCNC(=O)c2ccc(Br)c([O-])c2)c([N+](=O)[O-])c1 ZINC000489581260 999796787 /nfs/dbraw/zinc/79/67/87/999796787.db2.gz XJCOSICOWIUQJM-UHFFFAOYSA-N -1 1 408.252 3.603 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000491579644 1000085430 /nfs/dbraw/zinc/08/54/30/1000085430.db2.gz STZQSZGAYHYQLM-UHFFFAOYSA-N -1 1 416.484 3.954 20 5 HHBDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491587379 1000086454 /nfs/dbraw/zinc/08/64/54/1000086454.db2.gz XJBRNZIXHSYDLN-UHFFFAOYSA-N -1 1 403.460 3.669 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000491605705 1000089427 /nfs/dbraw/zinc/08/94/27/1000089427.db2.gz YIKZQNPUSQUXDJ-UHFFFAOYSA-N -1 1 406.464 3.542 20 5 HHBDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)n1 ZINC000491610760 1000090433 /nfs/dbraw/zinc/09/04/33/1000090433.db2.gz ULAOFSIBKICIBP-UHFFFAOYSA-N -1 1 414.443 3.903 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1[N+](=O)[O-] ZINC000491678877 1000092283 /nfs/dbraw/zinc/09/22/83/1000092283.db2.gz SMDBDHSNTJCJKL-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)c1C ZINC000504512000 1000243020 /nfs/dbraw/zinc/24/30/20/1000243020.db2.gz DQDGJYFKDMMFIL-UHFFFAOYSA-N -1 1 414.365 3.908 20 5 HHBDMM C[C@@H]1CCc2c(sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c2C(=O)c2ccco2)C1 ZINC000495294527 1000956266 /nfs/dbraw/zinc/95/62/66/1000956266.db2.gz KIYCJFBEUIJUES-SNVBAGLBSA-N -1 1 414.443 3.591 20 5 HHBDMM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505923089 1001104077 /nfs/dbraw/zinc/10/40/77/1001104077.db2.gz PRJXJISZCQHXPX-UHFFFAOYSA-N -1 1 423.391 3.667 20 5 HHBDMM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)s2)cc1 ZINC000506028486 1001173721 /nfs/dbraw/zinc/17/37/21/1001173721.db2.gz UQCCBZGVWCVMRJ-JTQLQIEISA-N -1 1 414.443 3.627 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000497967721 1001583257 /nfs/dbraw/zinc/58/32/57/1001583257.db2.gz WINUABRVIUBHFH-KRWDZBQOSA-N -1 1 421.837 3.850 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000507514756 1002126087 /nfs/dbraw/zinc/12/60/87/1002126087.db2.gz ZPPKZNYYDSQMRE-AWEZNQCLSA-N -1 1 409.876 3.773 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)cc1[N+](=O)[O-] ZINC000509389980 1003819124 /nfs/dbraw/zinc/81/91/24/1003819124.db2.gz WBXBVFCZCRPUBY-UHFFFAOYSA-N -1 1 417.418 3.914 20 5 HHBDMM CN(CCc1nccs1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000513181339 1004848241 /nfs/dbraw/zinc/84/82/41/1004848241.db2.gz PTGNIJXBVVUTGV-UHFFFAOYSA-N -1 1 418.500 3.531 20 5 HHBDMM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000513787664 1005127073 /nfs/dbraw/zinc/12/70/73/1005127073.db2.gz CPJFJUHKVAXTFV-UHFFFAOYSA-N -1 1 420.672 3.823 20 5 HHBDMM O=C(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)N1CCCc2ccccc21 ZINC000503815973 1005496454 /nfs/dbraw/zinc/49/64/54/1005496454.db2.gz MHDJRORELZOFJX-UHFFFAOYSA-N -1 1 404.426 3.697 20 5 HHBDMM Cc1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000532045327 1006598131 /nfs/dbraw/zinc/59/81/31/1006598131.db2.gz JINIZMZZINBBFN-UHFFFAOYSA-N -1 1 407.835 3.690 20 5 HHBDMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532545920 1006978630 /nfs/dbraw/zinc/97/86/30/1006978630.db2.gz FEJRMLBKEFFTEV-UHFFFAOYSA-N -1 1 404.791 3.748 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000516378174 1007050984 /nfs/dbraw/zinc/05/09/84/1007050984.db2.gz MXXKGUQCLACARL-UHFFFAOYSA-N -1 1 418.283 3.990 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000535070248 1007090830 /nfs/dbraw/zinc/09/08/30/1007090830.db2.gz OEMISDOGYALMLB-JSGCOSHPSA-N -1 1 415.393 3.623 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])n1 ZINC000533633907 1007940098 /nfs/dbraw/zinc/94/00/98/1007940098.db2.gz MHCJIGCXFSZSMC-CQSZACIVSA-N -1 1 416.459 3.643 20 5 HHBDMM Cc1ccc(CSCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000517914836 1008054574 /nfs/dbraw/zinc/05/45/74/1008054574.db2.gz DBIRHZXBXFGURK-UHFFFAOYSA-N -1 1 400.909 3.768 20 5 HHBDMM COc1cccc(-c2nc(C)c(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH]2)c1 ZINC000539748591 1008063807 /nfs/dbraw/zinc/06/38/07/1008063807.db2.gz RTOMCCRWDGUZBK-UHFFFAOYSA-N -1 1 402.794 3.913 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000540321896 1008379698 /nfs/dbraw/zinc/37/96/98/1008379698.db2.gz ZDTIUKILNRBUTN-UKRRQHHQSA-N -1 1 417.270 3.710 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1cccc2ccccc21 ZINC000518661415 1008383423 /nfs/dbraw/zinc/38/34/23/1008383423.db2.gz CUFGRCYNQYBTHI-UHFFFAOYSA-N -1 1 406.847 3.759 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)cc1[N+](=O)[O-] ZINC000543147224 1008720641 /nfs/dbraw/zinc/72/06/41/1008720641.db2.gz IJAZUQUXZLZHMG-UHFFFAOYSA-N -1 1 419.503 3.766 20 5 HHBDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1)C(C)C ZINC000543656926 1009264708 /nfs/dbraw/zinc/26/47/08/1009264708.db2.gz LRVODYNJCOWVOG-UHFFFAOYSA-N -1 1 419.503 3.769 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000544639798 1010264656 /nfs/dbraw/zinc/26/46/56/1010264656.db2.gz LYCOZDPGAPJBPN-QGZVFWFLSA-N -1 1 406.460 3.570 20 5 HHBDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc21 ZINC000551114266 1010378711 /nfs/dbraw/zinc/37/87/11/1010378711.db2.gz BHPVVKVUZQMBMI-UHFFFAOYSA-N -1 1 417.487 3.602 20 5 HHBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000551117223 1010380935 /nfs/dbraw/zinc/38/09/35/1010380935.db2.gz WLTOMPKSJAKKTK-UHFFFAOYSA-N -1 1 417.487 3.820 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000536184249 1011320375 /nfs/dbraw/zinc/32/03/75/1011320375.db2.gz UVVGAFVYZLAVLI-UHFFFAOYSA-N -1 1 402.766 3.863 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000522958332 1011405500 /nfs/dbraw/zinc/40/55/00/1011405500.db2.gz OMJULDLSKXVNKT-UHFFFAOYSA-N -1 1 406.460 3.509 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)c1 ZINC000541799726 1012676483 /nfs/dbraw/zinc/67/64/83/1012676483.db2.gz LTWGCLAPXSRQCB-UHFFFAOYSA-N -1 1 414.443 3.903 20 5 HHBDMM COCCOc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1Cl ZINC000541801024 1012679316 /nfs/dbraw/zinc/67/93/16/1012679316.db2.gz AHLOQVPFRHJQNO-UHFFFAOYSA-N -1 1 414.867 3.691 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000541826073 1012712229 /nfs/dbraw/zinc/71/22/29/1012712229.db2.gz QSGPZCHPUSRTTQ-CQSZACIVSA-N -1 1 424.784 3.839 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1F ZINC000760357425 1072275269 /nfs/dbraw/zinc/27/52/69/1072275269.db2.gz VDJUHDDNDWNLLK-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000555412924 1073436215 /nfs/dbraw/zinc/43/62/15/1073436215.db2.gz WOENFZLEUXFLPY-JTQLQIEISA-N -1 1 415.802 3.595 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ncccc1F ZINC000301795360 971068928 /nfs/dbraw/zinc/06/89/28/971068928.db2.gz PPGTWYLSGUJINH-UHFFFAOYSA-N -1 1 402.407 3.542 20 5 HHBDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000553570185 1013467063 /nfs/dbraw/zinc/46/70/63/1013467063.db2.gz RADRQQGABLLENA-GLEZIHRCSA-N -1 1 420.340 3.553 20 5 HHBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000542581158 1013522263 /nfs/dbraw/zinc/52/22/63/1013522263.db2.gz BWAGLIDVZWEJBQ-UHFFFAOYSA-N -1 1 413.356 3.885 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000030384098 965682722 /nfs/dbraw/zinc/68/27/22/965682722.db2.gz WJVLWOQGAAJSIP-GFCCVEGCSA-N -1 1 402.856 3.903 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000542731883 1013643776 /nfs/dbraw/zinc/64/37/76/1013643776.db2.gz ODRRDRBYUFICAL-UHFFFAOYSA-N -1 1 403.382 3.987 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)c1 ZINC000542732194 1013644785 /nfs/dbraw/zinc/64/47/85/1013644785.db2.gz QLLUFYSWHIVKSW-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM CCCCc1nnc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000042218322 966748392 /nfs/dbraw/zinc/74/83/92/966748392.db2.gz DRMQMHKKTZNSJQ-UHFFFAOYSA-N -1 1 404.370 3.982 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000045499958 967480703 /nfs/dbraw/zinc/48/07/03/967480703.db2.gz KOKUGYGBXQEBTB-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000390340161 972821609 /nfs/dbraw/zinc/82/16/09/972821609.db2.gz GAQGWYSAWWOLSZ-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000410329488 973898735 /nfs/dbraw/zinc/89/87/35/973898735.db2.gz ZJMPSPJXHJSMOI-UHFFFAOYSA-N -1 1 405.476 3.783 20 5 HHBDMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426798375 974668643 /nfs/dbraw/zinc/66/86/43/974668643.db2.gz ICRFOIBWFBUKDA-IBGZPJMESA-N -1 1 414.849 3.966 20 5 HHBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccco1 ZINC000427811683 975303282 /nfs/dbraw/zinc/30/32/82/975303282.db2.gz NKQLSPINDJEBNW-FQEVSTJZSA-N -1 1 416.455 3.881 20 5 HHBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000432050193 978661410 /nfs/dbraw/zinc/66/14/10/978661410.db2.gz PHPNKKUCIGEZQZ-UHFFFAOYSA-N -1 1 405.819 3.800 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c1C ZINC000432969238 979028612 /nfs/dbraw/zinc/02/86/12/979028612.db2.gz DWOZAFVVJWSNCW-CQSZACIVSA-N -1 1 406.357 3.775 20 5 HHBDMM CCCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1cc(F)c(OC)cc1F ZINC000435191794 980710228 /nfs/dbraw/zinc/71/02/28/980710228.db2.gz NMIHTRUVUXEZAM-UHFFFAOYSA-N -1 1 405.361 3.600 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc([N+](=O)[O-])c1C ZINC000435713815 980997397 /nfs/dbraw/zinc/99/73/97/980997397.db2.gz GPRWFOUDTPVQFL-UHFFFAOYSA-N -1 1 422.459 3.506 20 5 HHBDMM Cc1cc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Br ZINC000435967467 981120138 /nfs/dbraw/zinc/12/01/38/981120138.db2.gz OHDRQHIVHLIHMS-AWEZNQCLSA-N -1 1 406.236 3.744 20 5 HHBDMM O=[N+]([O-])c1ccc(Cc2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)nc1 ZINC000436945150 981637749 /nfs/dbraw/zinc/63/77/49/981637749.db2.gz SCORBVQBLFEBCS-UHFFFAOYSA-N -1 1 404.382 3.915 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000437314524 981966022 /nfs/dbraw/zinc/96/60/22/981966022.db2.gz ISEAYVVNNTXQHQ-NXEZZACHSA-N -1 1 400.806 3.895 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000437314526 981966201 /nfs/dbraw/zinc/96/62/01/981966201.db2.gz ISEAYVVNNTXQHQ-VHSXEESVSA-N -1 1 400.806 3.895 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c1C ZINC000461117436 982810390 /nfs/dbraw/zinc/81/03/90/982810390.db2.gz UWBXOCOGNUTIBY-RUZDIDTESA-N -1 1 416.908 3.544 20 5 HHBDMM O=C(c1cc(Br)ccc1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000440335497 983727011 /nfs/dbraw/zinc/72/70/11/983727011.db2.gz CRWAESUHNYPVKI-UHFFFAOYSA-N -1 1 421.247 3.747 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000440820127 983921234 /nfs/dbraw/zinc/92/12/34/983921234.db2.gz XQBHOUIRGUPYFO-UHFFFAOYSA-N -1 1 413.411 3.837 20 5 HHBDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n1 ZINC000441716557 984412626 /nfs/dbraw/zinc/41/26/26/984412626.db2.gz QVRLYHIMZLKRST-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCc3cn4ccccc4n3)cc2)c1 ZINC000442326429 984828249 /nfs/dbraw/zinc/82/82/49/984828249.db2.gz QXPOLHHMCBWSOE-UHFFFAOYSA-N -1 1 424.438 3.622 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c([N+](=O)[O-])c1 ZINC000442832115 985234495 /nfs/dbraw/zinc/23/44/95/985234495.db2.gz COOUBICYEZMTDL-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(F)c1 ZINC000443415140 985570841 /nfs/dbraw/zinc/57/08/41/985570841.db2.gz FAXXMJRRLUHOCM-UHFFFAOYSA-N -1 1 408.329 3.784 20 5 HHBDMM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000462716642 985662633 /nfs/dbraw/zinc/66/26/33/985662633.db2.gz FANXMMCZOFLGSE-UHFFFAOYSA-N -1 1 408.785 3.788 20 5 HHBDMM CCC[C@H](CCO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000463057122 986015529 /nfs/dbraw/zinc/01/55/29/986015529.db2.gz SGXDTYFFLMVSJN-OAHLLOKOSA-N -1 1 407.492 3.606 20 5 HHBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000468381475 986081354 /nfs/dbraw/zinc/08/13/54/986081354.db2.gz DZOVXCPJUFSKMT-UHFFFAOYSA-N -1 1 420.777 3.773 20 5 HHBDMM COc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1[N+](=O)[O-] ZINC000444384517 986559615 /nfs/dbraw/zinc/55/96/15/986559615.db2.gz WAVHIIXCGNKFQT-UHFFFAOYSA-N -1 1 413.430 3.624 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000469250117 986968946 /nfs/dbraw/zinc/96/89/46/986968946.db2.gz DEKGUNIQVFWJMQ-UHFFFAOYSA-N -1 1 404.448 3.578 20 5 HHBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)c1ccc(Cl)s1 ZINC000469304344 987019539 /nfs/dbraw/zinc/01/95/39/987019539.db2.gz WFJNCKAJRHSZEA-NSHDSACASA-N -1 1 418.880 3.526 20 5 HHBDMM C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444963318 987096856 /nfs/dbraw/zinc/09/68/56/987096856.db2.gz GNTSCRSDRDCNBP-QVKFZJNVSA-N -1 1 403.438 3.914 20 5 HHBDMM C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445013161 987145231 /nfs/dbraw/zinc/14/52/31/987145231.db2.gz TVOJUEHSOMUVTM-RTHLEPHNSA-N -1 1 424.276 3.671 20 5 HHBDMM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445186053 987265825 /nfs/dbraw/zinc/26/58/25/987265825.db2.gz QVWSXZDBWJJARG-UHFFFAOYSA-N -1 1 409.446 3.571 20 5 HHBDMM CC(=O)Nc1ccc(F)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000445257272 987312394 /nfs/dbraw/zinc/31/23/94/987312394.db2.gz YMXAEHKGBXLDCB-UHFFFAOYSA-N -1 1 402.201 3.769 20 5 HHBDMM Cc1ccc(C)c(-c2csc(NC(=O)Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)n2)c1 ZINC000445418225 987484955 /nfs/dbraw/zinc/48/49/55/987484955.db2.gz NIKNZTFZHXDSCO-UHFFFAOYSA-N -1 1 424.442 3.894 20 5 HHBDMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000445707673 987773532 /nfs/dbraw/zinc/77/35/32/987773532.db2.gz QVAZTPWYBZXZNQ-JTQLQIEISA-N -1 1 419.219 3.613 20 5 HHBDMM CC(C)CCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471119563 989224836 /nfs/dbraw/zinc/22/48/36/989224836.db2.gz WKFDKOFVIBQTSR-UHFFFAOYSA-N -1 1 408.432 3.519 20 5 HHBDMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)n2)cc1 ZINC000471875702 990048252 /nfs/dbraw/zinc/04/82/52/990048252.db2.gz KQWYPOOOEQYAFJ-CYBMUJFWSA-N -1 1 416.459 3.555 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C=CCCC3)cc2)cc1[N+](=O)[O-] ZINC000467276026 992597646 /nfs/dbraw/zinc/59/76/46/992597646.db2.gz WUSJXJZCHYBYDA-INIZCTEOSA-N -1 1 415.471 3.543 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000481967246 994856986 /nfs/dbraw/zinc/85/69/86/994856986.db2.gz QRAVUEUOZWSKDK-UHFFFAOYSA-N -1 1 416.434 3.850 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000484620251 996953998 /nfs/dbraw/zinc/95/39/98/996953998.db2.gz NRXLLWOLZVIEGE-MOPGFXCFSA-N -1 1 420.487 3.695 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)CC1CC1 ZINC000476565600 997059635 /nfs/dbraw/zinc/05/96/35/997059635.db2.gz ULZDNFQLYNIRHP-UHFFFAOYSA-N -1 1 406.236 3.510 20 5 HHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486100398 998548601 /nfs/dbraw/zinc/54/86/01/998548601.db2.gz LKKLITHJNMIIBV-UHFFFAOYSA-N -1 1 416.459 3.719 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000488285958 999424256 /nfs/dbraw/zinc/42/42/56/999424256.db2.gz ZZGJMMHQHOGDJE-UHFFFAOYSA-N -1 1 408.329 3.648 20 5 HHBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488821022 999618489 /nfs/dbraw/zinc/61/84/89/999618489.db2.gz FOHLSWGCOHSMOD-JTQLQIEISA-N -1 1 417.256 3.578 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCOc2c(F)cccc21 ZINC000480063142 999706361 /nfs/dbraw/zinc/70/63/61/999706361.db2.gz BDIRHRYKYBLEQT-CYBMUJFWSA-N -1 1 400.815 3.580 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000480185732 999739402 /nfs/dbraw/zinc/73/94/02/999739402.db2.gz WVUXJQJTJMDXAN-MRXNPFEDSA-N -1 1 416.459 3.740 20 5 HHBDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000491592793 1000087128 /nfs/dbraw/zinc/08/71/28/1000087128.db2.gz YUNYROHSZPKFKB-UHFFFAOYSA-N -1 1 419.503 3.931 20 5 HHBDMM COCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1Cl ZINC000491830878 1000096194 /nfs/dbraw/zinc/09/61/94/1000096194.db2.gz GHCGMQLEEKZKKE-UHFFFAOYSA-N -1 1 414.867 3.691 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccc(F)cc21 ZINC000507295084 1001979325 /nfs/dbraw/zinc/97/93/25/1001979325.db2.gz KOQMRBONCPBOEA-CYBMUJFWSA-N -1 1 400.815 3.580 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)cs1 ZINC000500446906 1003724087 /nfs/dbraw/zinc/72/40/87/1003724087.db2.gz IIEZABJMAQHULY-NSHDSACASA-N -1 1 407.448 3.897 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000510868237 1004901301 /nfs/dbraw/zinc/90/13/01/1004901301.db2.gz RSEFOEYUVTYULC-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCC1CCOCC1 ZINC000511676711 1005272107 /nfs/dbraw/zinc/27/21/07/1005272107.db2.gz ZDYSPFSLYMROJK-UHFFFAOYSA-N -1 1 405.476 3.624 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000516786297 1007287905 /nfs/dbraw/zinc/28/79/05/1007287905.db2.gz MSJGBDBEGCQTJP-LBPRGKRZSA-N -1 1 402.856 3.903 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000516786296 1007288281 /nfs/dbraw/zinc/28/82/81/1007288281.db2.gz MSJGBDBEGCQTJP-GFCCVEGCSA-N -1 1 402.856 3.903 20 5 HHBDMM COc1cc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)c([N+](=O)[O-])cc1OC ZINC000517436535 1007658359 /nfs/dbraw/zinc/65/83/59/1007658359.db2.gz LWYAKSDGJUTWIX-UHFFFAOYSA-N -1 1 414.443 3.615 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])n1 ZINC000533633906 1007940282 /nfs/dbraw/zinc/94/02/82/1007940282.db2.gz MHCJIGCXFSZSMC-AWEZNQCLSA-N -1 1 416.459 3.643 20 5 HHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3cccc(OC)c3)s2)c1 ZINC000549295948 1008870029 /nfs/dbraw/zinc/87/00/29/1008870029.db2.gz ODGGUAZZAUCBOE-UHFFFAOYSA-N -1 1 414.443 3.697 20 5 HHBDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2)n1 ZINC000543656370 1009262706 /nfs/dbraw/zinc/26/27/06/1009262706.db2.gz BUMCXHFPJCZCBV-UHFFFAOYSA-N -1 1 402.432 3.679 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1C ZINC000536893177 1012145953 /nfs/dbraw/zinc/14/59/53/1012145953.db2.gz KUWJOKUYEJDHLS-UHFFFAOYSA-N -1 1 406.460 3.806 20 5 HHBDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1)C1CC1 ZINC000541805532 1012687916 /nfs/dbraw/zinc/68/79/16/1012687916.db2.gz VGDRLMSMDQHWFX-UHFFFAOYSA-N -1 1 417.487 3.523 20 5 HHBDMM Cc1cc(C)n(-c2ccccc2C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000760609705 1072032077 /nfs/dbraw/zinc/03/20/77/1072032077.db2.gz JWXZWRCUFGQCMU-UHFFFAOYSA-N -1 1 420.878 3.529 20 5 HHBDMM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1(C)C ZINC001212134357 1072035328 /nfs/dbraw/zinc/03/53/28/1072035328.db2.gz IDLJFDRGWZGNFU-UONOGXRCSA-N -1 1 408.879 3.648 20 5 HHBDMM C/C=C/C=C/C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000913461993 1072393618 /nfs/dbraw/zinc/39/36/18/1072393618.db2.gz YXLUROZUHITMJL-VNKDHWASSA-N -1 1 401.444 3.775 20 5 HHBDMM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1noc(-c2cccc(F)c2)n1 ZINC000586835952 1072449036 /nfs/dbraw/zinc/44/90/36/1072449036.db2.gz JARGJODRNLNUFY-UHFFFAOYSA-N -1 1 407.155 3.799 20 5 HHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000577017680 1072670386 /nfs/dbraw/zinc/67/03/86/1072670386.db2.gz DGYNWSYDGBSVQU-UHFFFAOYSA-N -1 1 422.793 3.707 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000555130204 1073182329 /nfs/dbraw/zinc/18/23/29/1073182329.db2.gz ZITWWUARNRSTNH-UHFFFAOYSA-N -1 1 403.229 3.860 20 5 HHBDMM O=C(c1nc[n-]c1-c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccccc1 ZINC000589136588 1073450623 /nfs/dbraw/zinc/45/06/23/1073450623.db2.gz BRSJBMMIWBTTGL-UHFFFAOYSA-N -1 1 414.381 3.671 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc(OC(F)(F)F)cc1 ZINC000303011721 971453109 /nfs/dbraw/zinc/45/31/09/971453109.db2.gz MYGWNJPTENYDMK-UHFFFAOYSA-N -1 1 424.784 3.668 20 5 HHBDMM Cc1cc(Br)ccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303443076 971733962 /nfs/dbraw/zinc/73/39/62/971733962.db2.gz GGEYXBNZQCOTMM-UHFFFAOYSA-N -1 1 419.684 3.798 20 5 HHBDMM CCc1cc2c(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2cc1[O-] ZINC000010667186 961879955 /nfs/dbraw/zinc/87/99/55/961879955.db2.gz OAJODCYFUNEREB-UHFFFAOYSA-N -1 1 403.774 3.980 20 5 HHBDMM CCc1cc2c(COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(=O)oc2cc1[O-] ZINC000011025488 961987547 /nfs/dbraw/zinc/98/75/47/961987547.db2.gz ZWXBBEVLQYALMU-UHFFFAOYSA-N -1 1 403.774 3.980 20 5 HHBDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc2C)c1 ZINC000052949331 965028418 /nfs/dbraw/zinc/02/84/18/965028418.db2.gz ZLVMBWIGLRMMMX-UHFFFAOYSA-N -1 1 414.443 3.593 20 5 HHBDMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc([N+](=O)[O-])s1 ZINC000060401425 966130765 /nfs/dbraw/zinc/13/07/65/966130765.db2.gz WFUVFWGEZAMUJR-UHFFFAOYSA-N -1 1 403.441 3.709 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000033054258 966362164 /nfs/dbraw/zinc/36/21/64/966362164.db2.gz MHWVFAVIBSPJEH-UHFFFAOYSA-N -1 1 417.487 3.624 20 5 HHBDMM Cc1csc(CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000042098053 966717470 /nfs/dbraw/zinc/71/74/70/966717470.db2.gz AZYQBEFBMMPARA-UHFFFAOYSA-N -1 1 418.500 3.815 20 5 HHBDMM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046592004 967872015 /nfs/dbraw/zinc/87/20/15/967872015.db2.gz RVZKKBLAADFYDN-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046612037 967881600 /nfs/dbraw/zinc/88/16/00/967881600.db2.gz POPMRDYBUYZVKT-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)cc1[N+](=O)[O-] ZINC000065832879 968671020 /nfs/dbraw/zinc/67/10/20/968671020.db2.gz MIPGFHUQSSETND-UHFFFAOYSA-N -1 1 408.476 3.646 20 5 HHBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2F)n1 ZINC000217210603 970083399 /nfs/dbraw/zinc/08/33/99/970083399.db2.gz SLKKRYYWXSBSHP-UHFFFAOYSA-N -1 1 404.423 3.646 20 5 HHBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccco1 ZINC000427811684 975303267 /nfs/dbraw/zinc/30/32/67/975303267.db2.gz NKQLSPINDJEBNW-HXUWFJFHSA-N -1 1 416.455 3.881 20 5 HHBDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)n1 ZINC000432182964 978703422 /nfs/dbraw/zinc/70/34/22/978703422.db2.gz SUOOWWKSKXOWFD-UHFFFAOYSA-N -1 1 402.432 3.625 20 5 HHBDMM CC(C)(C)c1nc2cc(NS(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc2o1 ZINC000432201220 978711147 /nfs/dbraw/zinc/71/11/47/978711147.db2.gz JUXQNYBRDWQKPC-UHFFFAOYSA-N -1 1 419.415 3.533 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCc1ccc(O)cc1 ZINC000433800606 979583615 /nfs/dbraw/zinc/58/36/15/979583615.db2.gz WDEMAWXSSBZMNV-UHFFFAOYSA-N -1 1 413.455 3.756 20 5 HHBDMM CCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000434963268 980535092 /nfs/dbraw/zinc/53/50/92/980535092.db2.gz KLZYEGFTLJVCNV-UHFFFAOYSA-N -1 1 402.432 3.575 20 5 HHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)[nH]n2)c1 ZINC000434977906 980545161 /nfs/dbraw/zinc/54/51/61/980545161.db2.gz SKTMRGKQVCFPAZ-UHFFFAOYSA-N -1 1 412.349 3.805 20 5 HHBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1C ZINC000435730602 981006509 /nfs/dbraw/zinc/00/65/09/981006509.db2.gz GBVUGWGWQWNOOE-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000441720874 984414729 /nfs/dbraw/zinc/41/47/29/984414729.db2.gz SDIZCNXGGGYYRR-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)on1 ZINC000462403956 985380640 /nfs/dbraw/zinc/38/06/40/985380640.db2.gz UZGQFZWCVJSBSX-UHFFFAOYSA-N -1 1 401.872 3.927 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(F)c1 ZINC000443419843 985576630 /nfs/dbraw/zinc/57/66/30/985576630.db2.gz RNQGROZQDYHHAV-UHFFFAOYSA-N -1 1 408.329 3.784 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c1C ZINC000444037149 986234385 /nfs/dbraw/zinc/23/43/85/986234385.db2.gz ZWDJMDIURRAYSY-UHFFFAOYSA-N -1 1 421.544 3.561 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000445155609 987245784 /nfs/dbraw/zinc/24/57/84/987245784.db2.gz CXFQKUYLQPGBDO-HNNXBMFYSA-N -1 1 409.402 3.503 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000445155611 987245921 /nfs/dbraw/zinc/24/59/21/987245921.db2.gz CXFQKUYLQPGBDO-OAHLLOKOSA-N -1 1 409.402 3.503 20 5 HHBDMM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445209360 987277536 /nfs/dbraw/zinc/27/75/36/987277536.db2.gz GKXIZXLPEFVCLQ-ZDUSSCGKSA-N -1 1 408.252 3.551 20 5 HHBDMM COc1cc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000445393534 987450334 /nfs/dbraw/zinc/45/03/34/987450334.db2.gz PEIXQTHURQXUBC-UHFFFAOYSA-N -1 1 406.192 3.712 20 5 HHBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc(C(F)(F)F)cs1 ZINC000466856514 992174389 /nfs/dbraw/zinc/17/43/89/992174389.db2.gz RFHWAFIYFQHIKH-LURJTMIESA-N -1 1 401.413 3.561 20 5 HHBDMM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 ZINC000466911687 992226502 /nfs/dbraw/zinc/22/65/02/992226502.db2.gz WZTUXUCDVLCQST-UHFFFAOYSA-N -1 1 407.835 3.690 20 5 HHBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(C)c([N+](=O)[O-])cc3C)cc2F)c1 ZINC000473766436 994683452 /nfs/dbraw/zinc/68/34/52/994683452.db2.gz QIPVIWIHRBUVFZ-UHFFFAOYSA-N -1 1 404.423 3.646 20 5 HHBDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481971845 994863780 /nfs/dbraw/zinc/86/37/80/994863780.db2.gz LGZKCUAMCIKAMI-UHFFFAOYSA-N -1 1 403.460 3.669 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccoc2)c1 ZINC000481983826 994881863 /nfs/dbraw/zinc/88/18/63/994881863.db2.gz UAGLRXIPTWGHHW-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM Cc1cc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)ncc1[N+](=O)[O-] ZINC000474771600 995700563 /nfs/dbraw/zinc/70/05/63/995700563.db2.gz BAIKLGNBURGUFJ-UHFFFAOYSA-N -1 1 416.434 3.850 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000483191880 996029213 /nfs/dbraw/zinc/02/92/13/996029213.db2.gz NDKNPDYABDTAOQ-UHFFFAOYSA-N -1 1 401.400 3.592 20 5 HHBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000484981742 997345585 /nfs/dbraw/zinc/34/55/85/997345585.db2.gz UKZMJBFNJSLQEY-UHFFFAOYSA-N -1 1 415.378 3.927 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000477421991 998111409 /nfs/dbraw/zinc/11/14/09/998111409.db2.gz VFLQWGLBZGPMOB-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000485945291 998389255 /nfs/dbraw/zinc/38/92/55/998389255.db2.gz FUEZLTNPUBFHGP-LBPRGKRZSA-N -1 1 408.785 3.873 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478566546 999027738 /nfs/dbraw/zinc/02/77/38/999027738.db2.gz QCLZBGHSQXJDRF-SCLBCKFNSA-N -1 1 407.829 3.516 20 5 HHBDMM CC(C)([C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487112156 999065622 /nfs/dbraw/zinc/06/56/22/999065622.db2.gz JUSVEZRGRSDBHD-IBGZPJMESA-N -1 1 419.428 3.924 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)cc([N+](=O)[O-])c1C ZINC000478699135 999094963 /nfs/dbraw/zinc/09/49/63/999094963.db2.gz WJIULRHFGZZTBJ-UHFFFAOYSA-N -1 1 422.459 3.506 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000479285804 999365777 /nfs/dbraw/zinc/36/57/77/999365777.db2.gz QUNCNYAXYBHQGP-UHFFFAOYSA-N -1 1 413.864 3.976 20 5 HHBDMM CC[C@@H](C)[C@@](C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000488151422 999394507 /nfs/dbraw/zinc/39/45/07/999394507.db2.gz RPKCNWUTURFTPQ-KUHUBIRLSA-N -1 1 407.492 3.605 20 5 HHBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000479516483 999455412 /nfs/dbraw/zinc/45/54/12/999455412.db2.gz LXMLGPOFHOUDRO-UHFFFAOYSA-N -1 1 400.260 3.822 20 5 HHBDMM O=C(c1ccc(Br)c([O-])c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491029785 1000036464 /nfs/dbraw/zinc/03/64/64/1000036464.db2.gz XACWRSRNFQPTEO-UHFFFAOYSA-N -1 1 421.247 3.747 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491604665 1000089209 /nfs/dbraw/zinc/08/92/09/1000089209.db2.gz OLASSTOPGVMGEA-UHFFFAOYSA-N -1 1 408.476 3.566 20 5 HHBDMM C[C@H]1CCc2c(sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c2C(=O)c2ccco2)C1 ZINC000495294526 1000955988 /nfs/dbraw/zinc/95/59/88/1000955988.db2.gz KIYCJFBEUIJUES-JTQLQIEISA-N -1 1 414.443 3.591 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000498041546 1001618480 /nfs/dbraw/zinc/61/84/80/1001618480.db2.gz JWZUFYGGYCJBOR-CQSZACIVSA-N -1 1 405.476 3.935 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000500044219 1003376735 /nfs/dbraw/zinc/37/67/35/1003376735.db2.gz QALUMJSVKILKJA-UGSOOPFHSA-N -1 1 417.487 3.622 20 5 HHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)s1 ZINC000512153742 1004062066 /nfs/dbraw/zinc/06/20/66/1004062066.db2.gz KTNRHDGBZULTSS-SECBINFHSA-N -1 1 418.880 3.511 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000512984250 1004744483 /nfs/dbraw/zinc/74/44/83/1004744483.db2.gz CFBQCMOVGPFEHJ-XJKSGUPXSA-N -1 1 410.879 3.694 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CC(C)C)cc2)cc1[N+](=O)[O-] ZINC000502069893 1004888555 /nfs/dbraw/zinc/88/85/55/1004888555.db2.gz WFBDEZIDBMMEER-OAHLLOKOSA-N -1 1 419.503 3.868 20 5 HHBDMM COc1cc(CSc2nc(C)c(C)c(=O)[n-]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000502447744 1005079193 /nfs/dbraw/zinc/07/91/93/1005079193.db2.gz UOUXPONLMJBTBE-UHFFFAOYSA-N -1 1 401.391 3.652 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)cc1[N+](=O)[O-] ZINC000514700938 1006088161 /nfs/dbraw/zinc/08/81/61/1006088161.db2.gz GAWBREJIFCHBQJ-HNNXBMFYSA-N -1 1 415.471 3.999 20 5 HHBDMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000515629837 1006567820 /nfs/dbraw/zinc/56/78/20/1006567820.db2.gz JUWCIVCCNNUBAH-UHFFFAOYSA-N -1 1 419.390 3.688 20 5 HHBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000539151509 1007448687 /nfs/dbraw/zinc/44/86/87/1007448687.db2.gz DBLWVDQSZDTRLK-UHFFFAOYSA-N -1 1 409.420 3.572 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccccc2-c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000533637179 1007944778 /nfs/dbraw/zinc/94/47/78/1007944778.db2.gz LVCCXYYAPPYZAW-UHFFFAOYSA-N -1 1 420.878 3.610 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)c1 ZINC000543654414 1009259810 /nfs/dbraw/zinc/25/98/10/1009259810.db2.gz XKDDBDYPLUXSCQ-UHFFFAOYSA-N -1 1 414.443 3.903 20 5 HHBDMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])n[nH]2)cc1C ZINC000546795559 1009761818 /nfs/dbraw/zinc/76/18/18/1009761818.db2.gz MSWVCGSUQTYUGZ-UHFFFAOYSA-N -1 1 400.460 3.852 20 5 HHBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1coc(-c2ccccc2Cl)n1 ZINC000540680578 1011333587 /nfs/dbraw/zinc/33/35/87/1011333587.db2.gz GQMXWEXACRBZHJ-UHFFFAOYSA-N -1 1 410.777 3.941 20 5 HHBDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000540698893 1011351796 /nfs/dbraw/zinc/35/17/96/1011351796.db2.gz WAWKGXGGMYPFIX-UHFFFAOYSA-N -1 1 421.862 3.761 20 5 HHBDMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000522971004 1011419430 /nfs/dbraw/zinc/41/94/30/1011419430.db2.gz VDYLXHOSBCBXIN-BONVTDFDSA-N -1 1 419.286 3.956 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000541070548 1011709290 /nfs/dbraw/zinc/70/92/90/1011709290.db2.gz KZXMTVSBSVDKRK-UHFFFAOYSA-N -1 1 401.238 3.557 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1F ZINC000760343885 1072265646 /nfs/dbraw/zinc/26/56/46/1072265646.db2.gz JBMCBMLDWKFGPL-HNNXBMFYSA-N -1 1 420.422 3.571 20 5 HHBDMM CCOc1cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c([N+](=O)[O-])cc1OC ZINC000026767994 964672078 /nfs/dbraw/zinc/67/20/78/964672078.db2.gz QFFGZUUKHRWBSW-UHFFFAOYSA-N -1 1 414.443 3.697 20 5 HHBDMM Cc1ccc(CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])o1 ZINC000029623298 965433269 /nfs/dbraw/zinc/43/32/69/965433269.db2.gz WKQWCQSIYHESSB-UHFFFAOYSA-N -1 1 401.444 3.952 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)c1C ZINC000055592143 965947021 /nfs/dbraw/zinc/94/70/21/965947021.db2.gz XKAJWUFCNOUZMY-UHFFFAOYSA-N -1 1 405.476 3.915 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCOc2ccc(F)cc21 ZINC000064959350 967338671 /nfs/dbraw/zinc/33/86/71/967338671.db2.gz KOQMRBONCPBOEA-ZDUSSCGKSA-N -1 1 400.815 3.580 20 5 HHBDMM Cc1occc1CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000065587541 967536846 /nfs/dbraw/zinc/53/68/46/967536846.db2.gz DTQVUOIYMGEQBM-UHFFFAOYSA-N -1 1 401.444 3.933 20 5 HHBDMM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000046588474 967870739 /nfs/dbraw/zinc/87/07/39/967870739.db2.gz SKQADYAIVQUKJJ-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1csc(Br)c1 ZINC000146786471 970308653 /nfs/dbraw/zinc/30/86/53/970308653.db2.gz FQWSAJQTGHDSLG-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000146817467 970309486 /nfs/dbraw/zinc/30/94/86/970309486.db2.gz QUVFJDXQGYXQLV-VIFPVBQESA-N -1 1 406.794 3.889 20 5 HHBDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000554687446 1014013628 /nfs/dbraw/zinc/01/36/28/1014013628.db2.gz SYODIGGGWCTBDR-UHFFFAOYSA-N -1 1 419.503 3.785 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1[N+](=O)[O-] ZINC000321668117 972693501 /nfs/dbraw/zinc/69/35/01/972693501.db2.gz HIGZTJIVJNKSTP-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)c1 ZINC000410420291 974018802 /nfs/dbraw/zinc/01/88/02/974018802.db2.gz RWLCORPJKVVIMI-UHFFFAOYSA-N -1 1 400.460 3.721 20 5 HHBDMM Cc1csc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)n1 ZINC000432190771 978706896 /nfs/dbraw/zinc/70/68/96/978706896.db2.gz GXRAJQFAOIWWQA-UHFFFAOYSA-N -1 1 419.440 3.526 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2)cc1[N+](=O)[O-] ZINC000434216222 979986374 /nfs/dbraw/zinc/98/63/74/979986374.db2.gz ZXSQXXBPPYSFBX-ZWKOTPCHSA-N -1 1 415.471 3.689 20 5 HHBDMM Cc1cc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Br ZINC000435967469 981120048 /nfs/dbraw/zinc/12/00/48/981120048.db2.gz OHDRQHIVHLIHMS-CQSZACIVSA-N -1 1 406.236 3.744 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436729995 981535688 /nfs/dbraw/zinc/53/56/88/981535688.db2.gz DCJLCKLZIWZGTM-SJCJKPOMSA-N -1 1 407.829 3.516 20 5 HHBDMM O=[N+]([O-])c1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1N1CCOCC1 ZINC000436874680 981598797 /nfs/dbraw/zinc/59/87/97/981598797.db2.gz UUNYGCHWSWRLTO-UHFFFAOYSA-N -1 1 402.794 3.507 20 5 HHBDMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000438808146 983083770 /nfs/dbraw/zinc/08/37/70/983083770.db2.gz RWXOSVLCNDVNHO-UHFFFAOYSA-N -1 1 413.249 3.669 20 5 HHBDMM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000438808821 983084257 /nfs/dbraw/zinc/08/42/57/983084257.db2.gz HGMASGZYXUBRHO-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM Cc1c(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cccc1[N+](=O)[O-] ZINC000444358611 986538345 /nfs/dbraw/zinc/53/83/45/986538345.db2.gz BVUFPIDESNEOGU-UHFFFAOYSA-N -1 1 411.458 3.853 20 5 HHBDMM O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445207039 987276114 /nfs/dbraw/zinc/27/61/14/987276114.db2.gz BBSFEMVCLXRFQK-ZDUSSCGKSA-N -1 1 414.418 3.765 20 5 HHBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000469894516 987531005 /nfs/dbraw/zinc/53/10/05/987531005.db2.gz WRQBWZGHRILVKH-UHFFFAOYSA-N -1 1 416.390 3.584 20 5 HHBDMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000471877383 990049859 /nfs/dbraw/zinc/04/98/59/990049859.db2.gz NCQCHXBMCKUUNU-CYBMUJFWSA-N -1 1 416.459 3.555 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000471883597 990057297 /nfs/dbraw/zinc/05/72/97/990057297.db2.gz KQEFAVWXFNIQBP-MRXNPFEDSA-N -1 1 409.876 3.773 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000466955922 992265365 /nfs/dbraw/zinc/26/53/65/992265365.db2.gz RCXCWJGLKUZIBO-UHFFFAOYSA-N -1 1 404.429 3.902 20 5 HHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1nc(C(F)(F)F)cs1 ZINC000467063884 992371865 /nfs/dbraw/zinc/37/18/65/992371865.db2.gz LHDDWACDOAHAEM-SSDOTTSWSA-N -1 1 415.440 3.870 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000481240807 994069111 /nfs/dbraw/zinc/06/91/11/994069111.db2.gz IMUJQTJYIPNHMX-WCQYABFASA-N -1 1 418.805 3.684 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000473261056 994111711 /nfs/dbraw/zinc/11/17/11/994111711.db2.gz QCOAVJCWEXJQLR-UHFFFAOYSA-N -1 1 417.487 3.624 20 5 HHBDMM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000473361894 994222908 /nfs/dbraw/zinc/22/29/08/994222908.db2.gz SRRSPEADIPUHDM-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000473489416 994334062 /nfs/dbraw/zinc/33/40/62/994334062.db2.gz KBYKBDTVYCVIGN-UHFFFAOYSA-N -1 1 404.400 3.627 20 5 HHBDMM COc1ccc(Br)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000481611819 994468373 /nfs/dbraw/zinc/46/83/73/994468373.db2.gz LGARDFYFDJCPGM-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481977019 994871197 /nfs/dbraw/zinc/87/11/97/994871197.db2.gz MMZCNMATBAPDIO-UHFFFAOYSA-N -1 1 408.476 3.566 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1C ZINC000481986768 994886008 /nfs/dbraw/zinc/88/60/08/994886008.db2.gz ZTQSTXSTJFNAJX-UHFFFAOYSA-N -1 1 417.487 3.557 20 5 HHBDMM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(SCCC(=O)[O-])c1 ZINC000484495457 996819801 /nfs/dbraw/zinc/81/98/01/996819801.db2.gz FTARHUGDOQPUCZ-UHFFFAOYSA-N -1 1 410.473 3.579 20 5 HHBDMM CCOc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)C)cc1OCC ZINC000484521657 996853622 /nfs/dbraw/zinc/85/36/22/996853622.db2.gz CUHNTCNYJRZJKR-SFHVURJKSA-N -1 1 403.435 3.620 20 5 HHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)c([N+](=O)[O-])c1 ZINC000486015416 998460812 /nfs/dbraw/zinc/46/08/12/998460812.db2.gz IXPMJHWARHSAEU-UHFFFAOYSA-N -1 1 418.349 3.509 20 5 HHBDMM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486613977 998857992 /nfs/dbraw/zinc/85/79/92/998857992.db2.gz CDDGSUVUZQBJRR-YUMQZZPRSA-N -1 1 422.294 3.573 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000486842963 998968762 /nfs/dbraw/zinc/96/87/62/998968762.db2.gz RCTBXUHINSRQSK-ZCFIWIBFSA-N -1 1 415.802 3.763 20 5 HHBDMM CC(C)([C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487112162 999065846 /nfs/dbraw/zinc/06/58/46/999065846.db2.gz JUSVEZRGRSDBHD-LJQANCHMSA-N -1 1 419.428 3.924 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1[N+](=O)[O-] ZINC000488257667 999413010 /nfs/dbraw/zinc/41/30/10/999413010.db2.gz RJXSVLRQVVVZPI-UHFFFAOYSA-N -1 1 408.329 3.871 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1[N+](=O)[O-] ZINC000488270157 999418172 /nfs/dbraw/zinc/41/81/72/999418172.db2.gz VTICQAOFDCTEIQ-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1N1CCCCC1 ZINC000479954839 999661898 /nfs/dbraw/zinc/66/18/98/999661898.db2.gz ZTCZYMOUUYIAGD-UHFFFAOYSA-N -1 1 409.895 3.717 20 5 HHBDMM CCc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000480243489 999754900 /nfs/dbraw/zinc/75/49/00/999754900.db2.gz DVMFIPWHMVOBIC-UHFFFAOYSA-N -1 1 422.850 3.503 20 5 HHBDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1 ZINC000491585701 1000086310 /nfs/dbraw/zinc/08/63/10/1000086310.db2.gz GLECSHSTMRZYSZ-HNNXBMFYSA-N -1 1 419.503 3.849 20 5 HHBDMM COc1c(S(=O)(=O)[N-]c2ccccc2F)cc(Br)c(C)c1[N+](=O)[O-] ZINC000491610281 1000090270 /nfs/dbraw/zinc/09/02/70/1000090270.db2.gz PEWGWTVJRMXVCS-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000491853023 1000097447 /nfs/dbraw/zinc/09/74/47/1000097447.db2.gz PLHOZYUSDZAKIP-AWEZNQCLSA-N -1 1 405.476 3.541 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000493541322 1000178707 /nfs/dbraw/zinc/17/87/07/1000178707.db2.gz FKBOLSOISYQKSV-CQSZACIVSA-N -1 1 414.377 3.532 20 5 HHBDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 ZINC000508136277 1002668907 /nfs/dbraw/zinc/66/89/07/1002668907.db2.gz ZPTBHUDECVTRCZ-UHFFFAOYSA-N -1 1 419.242 3.797 20 5 HHBDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000508145068 1002679458 /nfs/dbraw/zinc/67/94/58/1002679458.db2.gz RTWCGVABQJJCDH-UHFFFAOYSA-N -1 1 419.242 3.797 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000499738902 1003084177 /nfs/dbraw/zinc/08/41/77/1003084177.db2.gz NKBHZRFFMZJBJI-SECBINFHSA-N -1 1 402.341 3.717 20 5 HHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2SC)OCCO3)cc1OC ZINC000509282222 1003678279 /nfs/dbraw/zinc/67/82/79/1003678279.db2.gz BODXUWXQCOOHPG-UHFFFAOYSA-N -1 1 420.443 3.748 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)cc1[N+](=O)[O-] ZINC000514700939 1006087707 /nfs/dbraw/zinc/08/77/07/1006087707.db2.gz GAWBREJIFCHBQJ-OAHLLOKOSA-N -1 1 415.471 3.999 20 5 HHBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000531433191 1006193517 /nfs/dbraw/zinc/19/35/17/1006193517.db2.gz TYNJTLVGJJBOKU-UHFFFAOYSA-N -1 1 402.363 3.671 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000517158559 1007469340 /nfs/dbraw/zinc/46/93/40/1007469340.db2.gz JOQBAWQSNRPYHK-UHFFFAOYSA-N -1 1 413.455 3.932 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCSCc1ccc(Cl)cc1Cl ZINC000539220748 1007514185 /nfs/dbraw/zinc/51/41/85/1007514185.db2.gz FJCHUWSADORGHH-UHFFFAOYSA-N -1 1 422.315 3.508 20 5 HHBDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000545927991 1009001592 /nfs/dbraw/zinc/00/15/92/1009001592.db2.gz WTODQNLAUVUMKB-UHFFFAOYSA-N -1 1 419.242 3.797 20 5 HHBDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000519994854 1009145589 /nfs/dbraw/zinc/14/55/89/1009145589.db2.gz ZFURWEUJJLQKLE-CQSZACIVSA-N -1 1 405.476 3.541 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(Br)ccc1F ZINC000549904503 1009524684 /nfs/dbraw/zinc/52/46/84/1009524684.db2.gz ZKJFVRKSTQPMAC-UHFFFAOYSA-N -1 1 423.647 3.628 20 5 HHBDMM CC(C)n1ccc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000520659160 1009730804 /nfs/dbraw/zinc/73/08/04/1009730804.db2.gz XFUAZQHNILGCIY-UHFFFAOYSA-N -1 1 415.475 3.785 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000520738157 1009808044 /nfs/dbraw/zinc/80/80/44/1009808044.db2.gz DQDHQTWEJNVFHD-RDJZCZTQSA-N -1 1 414.842 3.586 20 5 HHBDMM Cc1ccc(-c2noc(CCc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)cc1[N+](=O)[O-] ZINC000544954608 1010517393 /nfs/dbraw/zinc/51/73/93/1010517393.db2.gz FSXLPGHNUQFBCK-UHFFFAOYSA-N -1 1 418.413 3.604 20 5 HHBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1[N+](=O)[O-] ZINC000551474883 1010609111 /nfs/dbraw/zinc/60/91/11/1010609111.db2.gz TUHISZBZEDQRCS-UHFFFAOYSA-N -1 1 401.444 3.535 20 5 HHBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000548417966 1010620559 /nfs/dbraw/zinc/62/05/59/1010620559.db2.gz HKXWNZYHQHMHHW-UHFFFAOYSA-N -1 1 402.363 3.542 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc([N+](=O)[O-])c1C ZINC000522508944 1011055108 /nfs/dbraw/zinc/05/51/08/1011055108.db2.gz FMVNMRVNKLYRIR-UHFFFAOYSA-N -1 1 424.500 3.744 20 5 HHBDMM Cc1ccc(-c2nc([N-]C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000523674684 1012273613 /nfs/dbraw/zinc/27/36/13/1012273613.db2.gz MAMKBJYLFRSBRB-UHFFFAOYSA-N -1 1 421.335 3.882 20 5 HHBDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1)C(C)C ZINC000523955835 1012697705 /nfs/dbraw/zinc/69/77/05/1012697705.db2.gz MXSXAIHATOAOLM-UHFFFAOYSA-N -1 1 419.503 3.769 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H]1CCC[C@@H](CO)C1 ZINC000575947949 1071769668 /nfs/dbraw/zinc/76/96/68/1071769668.db2.gz BQJBZBCLWOAMGY-JKSUJKDBSA-N -1 1 419.503 3.606 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2SC(F)(F)F)ccc1[N+](=O)[O-] ZINC000760344900 1072267152 /nfs/dbraw/zinc/26/71/52/1072267152.db2.gz VPLJAFXOSOUSFJ-UHFFFAOYSA-N -1 1 422.362 3.706 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c(F)cc1[N+](=O)[O-] ZINC000590597487 1073933714 /nfs/dbraw/zinc/93/37/14/1073933714.db2.gz GEHGTQOLOHKDCH-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM O=[N+]([O-])c1ccc(CNc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)cc1 ZINC000301507788 970960413 /nfs/dbraw/zinc/96/04/13/970960413.db2.gz AGJODQIBGZSKPQ-UHFFFAOYSA-N -1 1 420.397 3.681 20 5 HHBDMM CC1(C)C[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000301819658 971075579 /nfs/dbraw/zinc/07/55/79/971075579.db2.gz LBMQVGRSVNUEGP-HNNXBMFYSA-N -1 1 405.476 3.765 20 5 HHBDMM C[C@H]1CC(Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301975644 971138882 /nfs/dbraw/zinc/13/88/82/971138882.db2.gz VWWCVCROPHZSGM-KBPBESRZSA-N -1 1 405.476 3.764 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H](CO)c1ccsc1 ZINC000302229252 971212542 /nfs/dbraw/zinc/21/25/42/971212542.db2.gz BBAAEFJXEGZIPE-KRWDZBQOSA-N -1 1 419.484 3.603 20 5 HHBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000009903630 961708783 /nfs/dbraw/zinc/70/87/83/961708783.db2.gz VXZOCMCEMMMECB-UHFFFAOYSA-N -1 1 403.441 3.709 20 5 HHBDMM CCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000014062674 962414601 /nfs/dbraw/zinc/41/46/01/962414601.db2.gz LLLNVJMONGVXHD-AWEZNQCLSA-N -1 1 405.476 3.622 20 5 HHBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000020448491 963389458 /nfs/dbraw/zinc/38/94/58/963389458.db2.gz QXIVWMLLVYQFLV-UHFFFAOYSA-N -1 1 421.818 3.894 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCc1nccs1 ZINC000050953837 964430320 /nfs/dbraw/zinc/43/03/20/964430320.db2.gz KVYALDXVSHRAIY-UHFFFAOYSA-N -1 1 404.473 3.507 20 5 HHBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000027504908 964913278 /nfs/dbraw/zinc/91/32/78/964913278.db2.gz OPPTZKZEDFSOPK-UHFFFAOYSA-N -1 1 412.423 3.753 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)cc1[N+](=O)[O-] ZINC000028842452 965197632 /nfs/dbraw/zinc/19/76/32/965197632.db2.gz YGXNKTGUYWAARH-UHFFFAOYSA-N -1 1 404.473 3.589 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccccn1 ZINC000029938563 965567534 /nfs/dbraw/zinc/56/75/34/965567534.db2.gz OSXFACBRIHYLMM-GOSISDBHSA-N -1 1 403.847 3.711 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000030384095 965682789 /nfs/dbraw/zinc/68/27/89/965682789.db2.gz WJVLWOQGAAJSIP-LBPRGKRZSA-N -1 1 402.856 3.903 20 5 HHBDMM COCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000055643569 965986993 /nfs/dbraw/zinc/98/69/93/965986993.db2.gz OKPUHQCIHDVOPU-UHFFFAOYSA-N -1 1 414.867 3.691 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cc1C ZINC000060442054 966145376 /nfs/dbraw/zinc/14/53/76/966145376.db2.gz BFPLBYZKEWQKPT-UHFFFAOYSA-N -1 1 412.851 3.827 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)s1 ZINC000060925696 966328876 /nfs/dbraw/zinc/32/88/76/966328876.db2.gz GYYOFHKCTBGBIO-UHFFFAOYSA-N -1 1 416.480 3.737 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C ZINC000065080038 967368358 /nfs/dbraw/zinc/36/83/58/967368358.db2.gz URBYTYXLPRWCQF-UHFFFAOYSA-N -1 1 421.544 3.820 20 5 HHBDMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000046588520 967870307 /nfs/dbraw/zinc/87/03/07/967870307.db2.gz CBDYYVVTFSXCCG-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1[N+](=O)[O-] ZINC000046588571 967871396 /nfs/dbraw/zinc/87/13/96/967871396.db2.gz GQZGZQSKUUVBGH-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1C ZINC000065857425 968684256 /nfs/dbraw/zinc/68/42/56/968684256.db2.gz DVIGBSKEGBASCX-QGZVFWFLSA-N -1 1 416.459 3.740 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000146935249 970313698 /nfs/dbraw/zinc/31/36/98/970313698.db2.gz ULZIMNPKWAWOCV-JKSUJKDBSA-N -1 1 414.842 3.586 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c(Cl)c1 ZINC000318515852 972663668 /nfs/dbraw/zinc/66/36/68/972663668.db2.gz HHMOOQRMKZNDQQ-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2Br)cc1C ZINC000320058855 972675947 /nfs/dbraw/zinc/67/59/47/972675947.db2.gz UJEVQXHUZMMBQL-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000323453884 972711504 /nfs/dbraw/zinc/71/15/04/972711504.db2.gz ULIIEAOHWAHVTG-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000326604213 972744333 /nfs/dbraw/zinc/74/43/33/972744333.db2.gz MRIWVVLACDOXCZ-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)ccc1Br ZINC000430019468 977275937 /nfs/dbraw/zinc/27/59/37/977275937.db2.gz FGLIBMOOICFDQU-UHFFFAOYSA-N -1 1 420.263 3.786 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)c1[N+](=O)[O-] ZINC000432966102 979027644 /nfs/dbraw/zinc/02/76/44/979027644.db2.gz JJYNRUQVHSUQTH-ZDUSSCGKSA-N -1 1 406.357 3.775 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c(Cl)c1 ZINC000432973977 979030272 /nfs/dbraw/zinc/03/02/72/979030272.db2.gz XQCYSFMAMOBNGI-CYBMUJFWSA-N -1 1 412.748 3.811 20 5 HHBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000434972044 980541555 /nfs/dbraw/zinc/54/15/55/980541555.db2.gz MHVZAFLEEREPJH-UHFFFAOYSA-N -1 1 423.248 3.548 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)c([N+](=O)[O-])c1 ZINC000436148873 981221556 /nfs/dbraw/zinc/22/15/56/981221556.db2.gz CULMKHDJGPGLMC-UHFFFAOYSA-N -1 1 400.840 3.845 20 5 HHBDMM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc([O-])c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000436879740 981600020 /nfs/dbraw/zinc/60/00/20/981600020.db2.gz NPVPNRKYFDIKAJ-MRXNPFEDSA-N -1 1 412.377 3.775 20 5 HHBDMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000436912761 981618397 /nfs/dbraw/zinc/61/83/97/981618397.db2.gz IDEVCQGSBOEIMD-UHFFFAOYSA-N -1 1 414.809 3.566 20 5 HHBDMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000436912761 981618401 /nfs/dbraw/zinc/61/84/01/981618401.db2.gz IDEVCQGSBOEIMD-UHFFFAOYSA-N -1 1 414.809 3.566 20 5 HHBDMM COc1cc(C(=O)[N-]c2cc(-c3ccccc3F)on2)c([N+](=O)[O-])cc1OC(F)F ZINC000448492564 981830397 /nfs/dbraw/zinc/83/03/97/981830397.db2.gz NZWOPSIYPYQPOY-UHFFFAOYSA-N -1 1 423.303 4.251 20 5 HHBDMM CC[C@H](C[C@H](C)CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000439717389 983513852 /nfs/dbraw/zinc/51/38/52/983513852.db2.gz UJVOPZVXZYLYBC-LSDHHAIUSA-N -1 1 407.492 3.605 20 5 HHBDMM Cc1cc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl ZINC000443465723 985639582 /nfs/dbraw/zinc/63/95/82/985639582.db2.gz OKQWATATOSXTJA-UHFFFAOYSA-N -1 1 419.242 3.782 20 5 HHBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)c1ccc(Cl)s1 ZINC000469304325 987019182 /nfs/dbraw/zinc/01/91/82/987019182.db2.gz WFJNCKAJRHSZEA-LLVKDONJSA-N -1 1 418.880 3.526 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cc(C)[nH]n2)cc1 ZINC000469335510 987042435 /nfs/dbraw/zinc/04/24/35/987042435.db2.gz MHEFGVGOFHAOHU-UHFFFAOYSA-N -1 1 402.432 3.782 20 5 HHBDMM CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445187577 987266781 /nfs/dbraw/zinc/26/67/81/987266781.db2.gz SSHOIQMAWJGYMS-UHFFFAOYSA-N -1 1 410.430 3.835 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000471113798 989216771 /nfs/dbraw/zinc/21/67/71/989216771.db2.gz QFPAWLXNVQYGEM-UHFFFAOYSA-N -1 1 418.349 3.589 20 5 HHBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)cs1 ZINC000466869444 992189661 /nfs/dbraw/zinc/18/96/61/992189661.db2.gz AGJORDSOWGXPKP-VIFPVBQESA-N -1 1 413.374 3.639 20 5 HHBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000466913466 992228501 /nfs/dbraw/zinc/22/85/01/992228501.db2.gz JGEIPPXFNJJGPO-UHFFFAOYSA-N -1 1 415.258 3.565 20 5 HHBDMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466985493 992295155 /nfs/dbraw/zinc/29/51/55/992295155.db2.gz LTLLWKUIONCSCO-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467294298 992619499 /nfs/dbraw/zinc/61/94/99/992619499.db2.gz WQMHLPLCFGXCCM-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM Cc1nc(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC000475824082 996394437 /nfs/dbraw/zinc/39/44/37/996394437.db2.gz BZYRKVBTIVPHDE-UHFFFAOYSA-N -1 1 419.440 3.526 20 5 HHBDMM O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484254532 996661514 /nfs/dbraw/zinc/66/15/14/996661514.db2.gz LQEDAEARDQKJKM-KRWDZBQOSA-N -1 1 402.410 3.739 20 5 HHBDMM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000484521206 996851904 /nfs/dbraw/zinc/85/19/04/996851904.db2.gz BCJRIQBABFHZPG-UHFFFAOYSA-N -1 1 409.178 3.540 20 5 HHBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1Br ZINC000484947544 997325805 /nfs/dbraw/zinc/32/58/05/997325805.db2.gz IVEIVAMTORFVGM-UHFFFAOYSA-N -1 1 411.159 3.566 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)cc1F ZINC000485394414 997822106 /nfs/dbraw/zinc/82/21/06/997822106.db2.gz HUWIIGZOSLIBRY-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000485945289 998389052 /nfs/dbraw/zinc/38/90/52/998389052.db2.gz FUEZLTNPUBFHGP-GFCCVEGCSA-N -1 1 408.785 3.873 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CSc3ccc(Br)cc32)s1 ZINC000486825630 998958192 /nfs/dbraw/zinc/95/81/92/998958192.db2.gz NOBZTZKSPHYJDG-VIFPVBQESA-N -1 1 421.319 3.544 20 5 HHBDMM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000487004457 999032774 /nfs/dbraw/zinc/03/27/74/999032774.db2.gz CYTGATQXRGNLQW-UHFFFAOYSA-N -1 1 401.400 3.644 20 5 HHBDMM CC[C@H](C)[C@](C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000488151420 999394670 /nfs/dbraw/zinc/39/46/70/999394670.db2.gz RPKCNWUTURFTPQ-IFXJQAMLSA-N -1 1 407.492 3.605 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)ccc1[N+](=O)[O-] ZINC000479343328 999395034 /nfs/dbraw/zinc/39/50/34/999395034.db2.gz LOQMWXWCAVGZAM-UHFFFAOYSA-N -1 1 410.423 3.798 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H](CO)c3ccc(Br)cc3)n2)cc1 ZINC000489018450 999673600 /nfs/dbraw/zinc/67/36/00/999673600.db2.gz UFAKKFWNJNLLTA-AWEZNQCLSA-N -1 1 405.208 3.553 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(Br)c1 ZINC000480193843 999741529 /nfs/dbraw/zinc/74/15/29/999741529.db2.gz HDNNMISASWHAKJ-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1csc([N+](=O)[O-])c1 ZINC000491419707 1000073332 /nfs/dbraw/zinc/07/33/32/1000073332.db2.gz BIZTZADTKHFQOL-UHFFFAOYSA-N -1 1 403.441 3.709 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)ccc1[N+](=O)[O-] ZINC000493337514 1000169377 /nfs/dbraw/zinc/16/93/77/1000169377.db2.gz OXDSIWSJFUECRT-UHFFFAOYSA-N -1 1 424.438 3.948 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1C ZINC000504507897 1000240621 /nfs/dbraw/zinc/24/06/21/1000240621.db2.gz PEDVFTGRTYGVAD-UHFFFAOYSA-N -1 1 414.365 3.908 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CC3CC3)cc2)cc1[N+](=O)[O-] ZINC000494050678 1000284649 /nfs/dbraw/zinc/28/46/49/1000284649.db2.gz SUZSDFDTLMSXHT-CQSZACIVSA-N -1 1 417.487 3.622 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000497566336 1001438264 /nfs/dbraw/zinc/43/82/64/1001438264.db2.gz QMKZVZAZUSQVIZ-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cccc(F)c1)c1ccccn1 ZINC000497956586 1001578749 /nfs/dbraw/zinc/57/87/49/1001578749.db2.gz CWLRGJZNGMFQLI-GOSISDBHSA-N -1 1 421.837 3.850 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1[N+](=O)[O-] ZINC000508072070 1002593507 /nfs/dbraw/zinc/59/35/07/1002593507.db2.gz DEMSGWDPVLCUPK-UHFFFAOYSA-N -1 1 420.672 3.823 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000500044216 1003376451 /nfs/dbraw/zinc/37/64/51/1003376451.db2.gz QALUMJSVKILKJA-ACJLOTCBSA-N -1 1 417.487 3.622 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)cc1[N+](=O)[O-] ZINC000509540664 1003933871 /nfs/dbraw/zinc/93/38/71/1003933871.db2.gz KTTUPUPEYKEKSA-UHFFFAOYSA-N -1 1 407.231 3.720 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000501154435 1004240146 /nfs/dbraw/zinc/24/01/46/1004240146.db2.gz HNADLHYALRCCGC-MRVPVSSYSA-N -1 1 421.219 3.675 20 5 HHBDMM CCOc1cc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c([N+](=O)[O-])cc1OCC ZINC000534057191 1006029180 /nfs/dbraw/zinc/02/91/80/1006029180.db2.gz XTXOFASEJHUGHT-ZDUSSCGKSA-N -1 1 407.448 3.953 20 5 HHBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC2CCCCC2)c1 ZINC000535025397 1007069976 /nfs/dbraw/zinc/06/99/76/1007069976.db2.gz ZTWLGWDSOVVRFF-UHFFFAOYSA-N -1 1 419.459 3.838 20 5 HHBDMM CS[C@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000535232834 1007286222 /nfs/dbraw/zinc/28/62/22/1007286222.db2.gz FQDGCCAOKUZOLK-CYBMUJFWSA-N -1 1 423.516 3.784 20 5 HHBDMM CC(C)(CCCO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000540038528 1008250751 /nfs/dbraw/zinc/25/07/51/1008250751.db2.gz HTZWIMHXNVRBFB-UHFFFAOYSA-N -1 1 407.492 3.606 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(F)ccc1Br ZINC000518660450 1008383439 /nfs/dbraw/zinc/38/34/39/1008383439.db2.gz ORDLRZRKGUVWOH-UHFFFAOYSA-N -1 1 423.647 3.628 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccncc1 ZINC000521147614 1010174376 /nfs/dbraw/zinc/17/43/76/1010174376.db2.gz NHRHCUYKUZEXGO-QGZVFWFLSA-N -1 1 403.847 3.711 20 5 HHBDMM O=C([O-])CCCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000541268954 1011958281 /nfs/dbraw/zinc/95/82/81/1011958281.db2.gz ZSYVSBCQXWDWOA-UHFFFAOYSA-N -1 1 403.504 3.696 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(-c2ccncc2)cc1 ZINC000523520988 1012047845 /nfs/dbraw/zinc/04/78/45/1012047845.db2.gz NKDZLYBMDIUNAR-UHFFFAOYSA-N -1 1 403.847 3.789 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000523837647 1012527418 /nfs/dbraw/zinc/52/74/18/1012527418.db2.gz LOTGGSXQQZBDAD-SANMLTNESA-N -1 1 410.517 3.751 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1[N+](=O)[O-] ZINC000488215406 1072130397 /nfs/dbraw/zinc/13/03/97/1072130397.db2.gz GHEZMBRYSWKAIZ-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1[N+](=O)[O-] ZINC000488249954 1072167349 /nfs/dbraw/zinc/16/73/49/1072167349.db2.gz ZEOBNNYJISWFQV-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM Cc1cccc(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1[N+](=O)[O-] ZINC001648999242 1072613025 /nfs/dbraw/zinc/61/30/25/1072613025.db2.gz MQSSNOMSGXRMFE-ZDUSSCGKSA-N -1 1 421.375 3.716 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000571604674 1072678239 /nfs/dbraw/zinc/67/82/39/1072678239.db2.gz HYNLHWVUEJUKLC-LBPRGKRZSA-N -1 1 408.423 3.664 20 5 HHBDMM Cc1noc(C)c1CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301213758 970812327 /nfs/dbraw/zinc/81/23/27/970812327.db2.gz YTULCLHPXQHTPK-UHFFFAOYSA-N -1 1 416.459 3.655 20 5 HHBDMM C[C@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000301480562 970950391 /nfs/dbraw/zinc/95/03/91/970950391.db2.gz WEVZNOYEBPYAQL-KBPBESRZSA-N -1 1 407.517 3.726 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000301651051 971014735 /nfs/dbraw/zinc/01/47/35/971014735.db2.gz JUWKNSRVSBENJR-MBOZVWFJSA-N -1 1 417.487 3.765 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000301651056 971014926 /nfs/dbraw/zinc/01/49/26/971014926.db2.gz JUWKNSRVSBENJR-QKLQHJQFSA-N -1 1 417.487 3.765 20 5 HHBDMM CCc1cc2c(COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000006011948 960818436 /nfs/dbraw/zinc/81/84/36/960818436.db2.gz LCMFVFHQHQNBFA-UHFFFAOYSA-N -1 1 403.774 3.980 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000537657898 1013218188 /nfs/dbraw/zinc/21/81/88/1013218188.db2.gz ZOVWVGUZKGCCNU-ZDUSSCGKSA-N -1 1 401.419 3.835 20 5 HHBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000022846211 963727352 /nfs/dbraw/zinc/72/73/52/963727352.db2.gz YHYIZFOVSBKXSU-UHFFFAOYSA-N -1 1 412.423 3.753 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000024103212 963942745 /nfs/dbraw/zinc/94/27/45/963942745.db2.gz YDMYKHNPUQKAMG-UHFFFAOYSA-N -1 1 401.400 3.549 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000029965110 965577306 /nfs/dbraw/zinc/57/73/06/965577306.db2.gz COUOCQQSHXBXGG-GFCCVEGCSA-N -1 1 402.856 3.903 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1Br ZINC000326199160 972738883 /nfs/dbraw/zinc/73/88/83/972738883.db2.gz NJIFFZKMGVRFMA-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c(F)c1 ZINC000389081677 972808656 /nfs/dbraw/zinc/80/86/56/972808656.db2.gz YZHIMCOCHRMLJV-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c2c(ccc1Cl)CC(C)(C)O2 ZINC000430352329 977496855 /nfs/dbraw/zinc/49/68/55/977496855.db2.gz KKISWNIHUNYKBU-UHFFFAOYSA-N -1 1 412.851 3.771 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(C(F)(F)F)c1 ZINC000431162930 978063592 /nfs/dbraw/zinc/06/35/92/978063592.db2.gz LDLMHNDHUMACJB-UHFFFAOYSA-N -1 1 400.256 3.832 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)cc1[N+](=O)[O-] ZINC000431323127 978208591 /nfs/dbraw/zinc/20/85/91/978208591.db2.gz ZPAJUJJLLBUGFP-UHFFFAOYSA-N -1 1 424.438 3.743 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c1C ZINC000432490737 978845121 /nfs/dbraw/zinc/84/51/21/978845121.db2.gz DOLLFDCMZVIMFS-UHFFFAOYSA-N -1 1 414.443 3.940 20 5 HHBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000432937192 979016222 /nfs/dbraw/zinc/01/62/22/979016222.db2.gz GTQFTQATIDVOFL-UHFFFAOYSA-N -1 1 401.810 3.822 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000435597532 980955021 /nfs/dbraw/zinc/95/50/21/980955021.db2.gz MOUMKDZUQYXTRE-UMSPYCQHSA-N -1 1 406.407 3.900 20 5 HHBDMM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(SCCC(=O)[O-])c1 ZINC000460451629 982245671 /nfs/dbraw/zinc/24/56/71/982245671.db2.gz VDPTVUXMWKTFJO-UHFFFAOYSA-N -1 1 410.473 3.579 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000442234068 984754519 /nfs/dbraw/zinc/75/45/19/984754519.db2.gz NRXLLWOLZVIEGE-RTBURBONSA-N -1 1 420.487 3.695 20 5 HHBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000462577121 985524549 /nfs/dbraw/zinc/52/45/49/985524549.db2.gz HGBPNIXYCYOBGP-SNVBAGLBSA-N -1 1 405.259 3.647 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)c([N+](=O)[O-])n1 ZINC000443412973 985569029 /nfs/dbraw/zinc/56/90/29/985569029.db2.gz DSSRAIYVMMDBRG-UHFFFAOYSA-N -1 1 418.479 3.536 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c3ccccc32)c([N+](=O)[O-])n1 ZINC000462672916 985610633 /nfs/dbraw/zinc/61/06/33/985610633.db2.gz DPZBHJUJTKCSDB-NSHDSACASA-N -1 1 408.867 3.657 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCc1cccc(O)c1 ZINC000462800391 985732669 /nfs/dbraw/zinc/73/26/69/985732669.db2.gz BTYRNFJAIIWSHP-UHFFFAOYSA-N -1 1 413.455 3.756 20 5 HHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000463440769 986418723 /nfs/dbraw/zinc/41/87/23/986418723.db2.gz AFYCTAAVTGCNME-UHFFFAOYSA-N -1 1 411.439 3.756 20 5 HHBDMM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)cc1 ZINC000445013534 987145356 /nfs/dbraw/zinc/14/53/56/987145356.db2.gz USBSGAYAUDBZGO-JTQLQIEISA-N -1 1 414.443 3.627 20 5 HHBDMM COc1cc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1[O-] ZINC000445401996 987460018 /nfs/dbraw/zinc/46/00/18/987460018.db2.gz JFUDHNSAUMUQLS-UHFFFAOYSA-N -1 1 422.191 3.701 20 5 HHBDMM COc1cc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)c([N+](=O)[O-])cc1OC ZINC000469895286 987531869 /nfs/dbraw/zinc/53/18/69/987531869.db2.gz AZUUMFCCSYNHIF-UHFFFAOYSA-N -1 1 418.406 3.830 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2cccs2)ccc1[N+](=O)[O-] ZINC000471135135 989245837 /nfs/dbraw/zinc/24/58/37/989245837.db2.gz ZXZFHBXSJWOGBJ-UHFFFAOYSA-N -1 1 404.425 3.822 20 5 HHBDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2)n[nH]1 ZINC000484629619 996962256 /nfs/dbraw/zinc/96/22/56/996962256.db2.gz BXUAKLAXRVPTFB-UHFFFAOYSA-N -1 1 421.866 3.759 20 5 HHBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000484978010 997343760 /nfs/dbraw/zinc/34/37/60/997343760.db2.gz ZCLWZTCASTTZPY-UHFFFAOYSA-N -1 1 415.378 3.927 20 5 HHBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1F ZINC000478057066 998740580 /nfs/dbraw/zinc/74/05/80/998740580.db2.gz HMQIZTNIZVNUFY-UHFFFAOYSA-N -1 1 404.247 3.931 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000488293395 999426616 /nfs/dbraw/zinc/42/66/16/999426616.db2.gz FZVYJHKHPIWWNJ-UHFFFAOYSA-N -1 1 408.329 3.871 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1[N+](=O)[O-] ZINC000488304830 999431791 /nfs/dbraw/zinc/43/17/91/999431791.db2.gz YSUJTBVSAPEJJT-UHFFFAOYSA-N -1 1 408.329 3.871 20 5 HHBDMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000479763891 999579613 /nfs/dbraw/zinc/57/96/13/999579613.db2.gz CTFXIMHKXNBYEB-UHFFFAOYSA-N -1 1 413.262 3.929 20 5 HHBDMM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000490168659 999903717 /nfs/dbraw/zinc/90/37/17/999903717.db2.gz YGBWYXOREHZKQQ-UHFFFAOYSA-N -1 1 420.878 3.529 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)ccc1[O-] ZINC000491606568 1000089555 /nfs/dbraw/zinc/08/95/55/1000089555.db2.gz GUGXSLMZDOHVNU-UHFFFAOYSA-N -1 1 410.411 3.645 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)cc1[N+](=O)[O-] ZINC000491609627 1000090253 /nfs/dbraw/zinc/09/02/53/1000090253.db2.gz JBNHZDMNUYBVCE-UHFFFAOYSA-N -1 1 417.487 3.525 20 5 HHBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1OC1CCOCC1 ZINC000491800481 1000095201 /nfs/dbraw/zinc/09/52/01/1000095201.db2.gz CEPWZOIOTONDAE-UHFFFAOYSA-N -1 1 420.487 3.879 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000491854215 1000097587 /nfs/dbraw/zinc/09/75/87/1000097587.db2.gz SHJXCOLPAVPNHR-UHFFFAOYSA-N -1 1 403.382 3.987 20 5 HHBDMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000494307358 1000423931 /nfs/dbraw/zinc/42/39/31/1000423931.db2.gz FJDHKZSGVJMQSE-MRVPVSSYSA-N -1 1 419.219 3.757 20 5 HHBDMM C[C@@H](Nc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507250453 1001933712 /nfs/dbraw/zinc/93/37/12/1001933712.db2.gz AIUFPMUARYEFOW-SECBINFHSA-N -1 1 421.339 3.552 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1C ZINC000508089353 1002612286 /nfs/dbraw/zinc/61/22/86/1002612286.db2.gz OTVIBUBTORUTNU-UHFFFAOYSA-N -1 1 420.672 3.823 20 5 HHBDMM CC[C@@H](C)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000512124528 1004040041 /nfs/dbraw/zinc/04/00/41/1004040041.db2.gz SLWDATUVZXKHHM-HIFRSBDPSA-N -1 1 419.503 3.868 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2COCc2ccccc2)s1 ZINC000512529976 1004364066 /nfs/dbraw/zinc/36/40/66/1004364066.db2.gz WXBWQONBQUFXJK-UHFFFAOYSA-N -1 1 418.496 3.852 20 5 HHBDMM Cc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)[n-]c(=O)c1C ZINC000538516647 1006780865 /nfs/dbraw/zinc/78/08/65/1006780865.db2.gz KNWQTOABMOKHNN-SECBINFHSA-N -1 1 416.381 3.845 20 5 HHBDMM COCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1Cl ZINC000516418762 1007071621 /nfs/dbraw/zinc/07/16/21/1007071621.db2.gz ZOMRSMOTOJXYEC-UHFFFAOYSA-N -1 1 414.867 3.691 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000539105059 1007392275 /nfs/dbraw/zinc/39/22/75/1007392275.db2.gz BRQUUDFJTHCTOC-UHFFFAOYSA-N -1 1 404.366 3.954 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-]CC2(Sc3ccc(C)cc3)CCCC2)c([N+](=O)[O-])n1 ZINC000533175501 1007518358 /nfs/dbraw/zinc/51/83/58/1007518358.db2.gz ANADAGRFMLBKBK-UHFFFAOYSA-N -1 1 424.548 3.503 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000518000260 1008095322 /nfs/dbraw/zinc/09/53/22/1008095322.db2.gz TYOMFPZEKIPYOU-UHFFFAOYSA-N -1 1 418.283 3.990 20 5 HHBDMM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)s1 ZINC000548417685 1010620407 /nfs/dbraw/zinc/62/04/07/1010620407.db2.gz XNVYKGDBCKHOIF-UHFFFAOYSA-N -1 1 416.390 3.584 20 5 HHBDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)o1 ZINC000551681213 1010738519 /nfs/dbraw/zinc/73/85/19/1010738519.db2.gz IEYDYDIQVMXTSW-UHFFFAOYSA-N -1 1 423.491 3.814 20 5 HHBDMM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c([O-])cc(Br)cc1Cl ZINC000552025640 1012052010 /nfs/dbraw/zinc/05/20/10/1012052010.db2.gz FOUAPZBGCABMRN-UHFFFAOYSA-N -1 1 401.600 3.734 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537439054 1012928388 /nfs/dbraw/zinc/92/83/88/1012928388.db2.gz FPZYTRWFOBQARP-KBPBESRZSA-N -1 1 415.393 3.623 20 5 HHBDMM O=C([N-]c1nc2c(s1)CSCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000552976217 1012957858 /nfs/dbraw/zinc/95/78/58/1012957858.db2.gz PAGIDBHIRLATRH-UHFFFAOYSA-N -1 1 406.308 3.917 20 5 HHBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000760632770 1072219430 /nfs/dbraw/zinc/21/94/30/1072219430.db2.gz JMNWXGQBKUAWAK-QGZVFWFLSA-N -1 1 421.837 3.850 20 5 HHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000554968792 1073023598 /nfs/dbraw/zinc/02/35/98/1073023598.db2.gz SUJBIPYPJOIYRY-UHFFFAOYSA-N -1 1 402.407 3.827 20 5 HHBDMM O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000590348007 1073753183 /nfs/dbraw/zinc/75/31/83/1073753183.db2.gz CQZBRQLLGNNYTI-LBPRGKRZSA-N -1 1 418.475 3.738 20 5 HHBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000594744212 1075361471 /nfs/dbraw/zinc/36/14/71/1075361471.db2.gz XSBZVTBMWIZSCR-UHFFFAOYSA-N -1 1 400.456 3.514 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCOC2(CCCC2)C1 ZINC000301725424 971042983 /nfs/dbraw/zinc/04/29/83/971042983.db2.gz UTUWVQFKURPVAX-UHFFFAOYSA-N -1 1 417.487 3.545 20 5 HHBDMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000303445256 971738715 /nfs/dbraw/zinc/73/87/15/971738715.db2.gz IQWRGABKLXIBFX-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM CCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000014062672 962414911 /nfs/dbraw/zinc/41/49/11/962414911.db2.gz LLLNVJMONGVXHD-CQSZACIVSA-N -1 1 405.476 3.622 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000014097441 962421175 /nfs/dbraw/zinc/42/11/75/962421175.db2.gz HUYPAUDTHRZDNA-UHFFFAOYSA-N -1 1 409.851 3.706 20 5 HHBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)n1 ZINC000026538904 964594845 /nfs/dbraw/zinc/59/48/45/964594845.db2.gz XKYYMSYHGGMLHS-UHFFFAOYSA-N -1 1 400.460 3.815 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC000055619863 965968106 /nfs/dbraw/zinc/96/81/06/965968106.db2.gz RZIWGJSFRXZFIQ-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000055674304 966011525 /nfs/dbraw/zinc/01/15/25/966011525.db2.gz VLIDUTIFTFGBED-UHFFFAOYSA-N -1 1 411.867 3.933 20 5 HHBDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000042066013 966701384 /nfs/dbraw/zinc/70/13/84/966701384.db2.gz KWOHALZNYSLVAO-UHFFFAOYSA-N -1 1 405.476 3.622 20 5 HHBDMM Cc1noc(C)c1CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000042098605 966717247 /nfs/dbraw/zinc/71/72/47/966717247.db2.gz VFZJMMAHKNZSHD-UHFFFAOYSA-N -1 1 416.459 3.637 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)c1C ZINC000065223892 967412408 /nfs/dbraw/zinc/41/24/08/967412408.db2.gz PXWJWTQZBGKXRG-UHFFFAOYSA-N -1 1 414.443 3.903 20 5 HHBDMM CCC(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000046555107 967856866 /nfs/dbraw/zinc/85/68/66/967856866.db2.gz HKUKVPFOYNKNCQ-UHFFFAOYSA-N -1 1 405.476 3.622 20 5 HHBDMM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588280 967870288 /nfs/dbraw/zinc/87/02/88/967870288.db2.gz SMQGNDUGTQVATC-UHFFFAOYSA-N -1 1 411.439 3.577 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccccn1 ZINC000146515235 970294494 /nfs/dbraw/zinc/29/44/94/970294494.db2.gz RKSIQMPERKPKFE-KRWDZBQOSA-N -1 1 403.847 3.711 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000146935444 970314097 /nfs/dbraw/zinc/31/40/97/970314097.db2.gz ULZIMNPKWAWOCV-CVEARBPZSA-N -1 1 414.842 3.586 20 5 HHBDMM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000150292093 970440773 /nfs/dbraw/zinc/44/07/73/970440773.db2.gz AEUHEYUFWLPPGB-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM COCC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCC1 ZINC000409674780 973136036 /nfs/dbraw/zinc/13/60/36/973136036.db2.gz GLSSIUQQYBVQPA-UHFFFAOYSA-N -1 1 405.476 3.624 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(C)CCC3)cc2)cc1[N+](=O)[O-] ZINC000426053590 974175388 /nfs/dbraw/zinc/17/53/88/974175388.db2.gz CKEILUIFKCLSMO-UHFFFAOYSA-N -1 1 403.460 3.833 20 5 HHBDMM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000426829275 974694970 /nfs/dbraw/zinc/69/49/70/974694970.db2.gz ONFJLIMKCDKLGQ-AWEZNQCLSA-N -1 1 409.236 3.672 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccnc(N2CCc3ccccc3C2)c1 ZINC000427628375 975215647 /nfs/dbraw/zinc/21/56/47/975215647.db2.gz HNWLSPVRJXRZEW-UHFFFAOYSA-N -1 1 424.482 3.662 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000427807284 975300154 /nfs/dbraw/zinc/30/01/54/975300154.db2.gz MDZKLDPPOOPEAH-NVXWUHKLSA-N -1 1 410.879 3.664 20 5 HHBDMM CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)c1 ZINC000427895515 975337011 /nfs/dbraw/zinc/33/70/11/975337011.db2.gz LWCAVLYUTKITKX-UHFFFAOYSA-N -1 1 422.397 3.604 20 5 HHBDMM Cc1cc[nH]c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000435396237 980838232 /nfs/dbraw/zinc/83/82/32/980838232.db2.gz XEMIVPJFXIHUHS-UHFFFAOYSA-N -1 1 414.443 3.593 20 5 HHBDMM COc1cc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)ccc1F ZINC000436154630 981224472 /nfs/dbraw/zinc/22/44/72/981224472.db2.gz NPJNGOQJGOXTOJ-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc([O-])cc3F)no2)ccc1[N+](=O)[O-] ZINC000436870801 981597861 /nfs/dbraw/zinc/59/78/61/981597861.db2.gz FZEQNYVHDHGVGM-QGZVFWFLSA-N -1 1 412.377 3.775 20 5 HHBDMM Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc([O-])c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000436879739 981599975 /nfs/dbraw/zinc/59/99/75/981599975.db2.gz NPVPNRKYFDIKAJ-INIZCTEOSA-N -1 1 412.377 3.775 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436961982 981649354 /nfs/dbraw/zinc/64/93/54/981649354.db2.gz WAFANCUGXYYTDZ-KPZWWZAWSA-N -1 1 407.829 3.516 20 5 HHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000442334964 984838712 /nfs/dbraw/zinc/83/87/12/984838712.db2.gz FWGQMWUWOCSUNA-HHHXNRCGSA-N -1 1 416.480 3.703 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)ccc1Br ZINC000463439523 986416542 /nfs/dbraw/zinc/41/65/42/986416542.db2.gz LBRJRDUAESXNFU-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000463442417 986420884 /nfs/dbraw/zinc/42/08/84/986420884.db2.gz HCDGJEVGSKOKKE-UHFFFAOYSA-N -1 1 405.407 3.948 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)[nH]n2)ccc1[N+](=O)[O-] ZINC000469268666 986987676 /nfs/dbraw/zinc/98/76/76/986987676.db2.gz YQPMRGMUDLUHGX-UHFFFAOYSA-N -1 1 416.459 3.720 20 5 HHBDMM CC(C)CN(Cc1ccccc1Br)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444979879 987108839 /nfs/dbraw/zinc/10/88/39/987108839.db2.gz BHLNWEIJDNDKRL-UHFFFAOYSA-N -1 1 408.252 3.756 20 5 HHBDMM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445133456 987232460 /nfs/dbraw/zinc/23/24/60/987232460.db2.gz HJKCCPKEVSEULC-NSHDSACASA-N -1 1 409.242 3.748 20 5 HHBDMM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445177011 987260668 /nfs/dbraw/zinc/26/06/68/987260668.db2.gz WAUNYXSPUXYKFI-SECBINFHSA-N -1 1 402.407 3.757 20 5 HHBDMM COCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000445184502 987265079 /nfs/dbraw/zinc/26/50/79/987265079.db2.gz NWAJSCLYFMWGPX-NSHDSACASA-N -1 1 413.352 3.564 20 5 HHBDMM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445209359 987277784 /nfs/dbraw/zinc/27/77/84/987277784.db2.gz GKXIZXLPEFVCLQ-CYBMUJFWSA-N -1 1 408.252 3.551 20 5 HHBDMM COc1cc(-c2noc(CNc3ccccc3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000445390005 987447534 /nfs/dbraw/zinc/44/75/34/987447534.db2.gz HDRAMEQGUWITIQ-UHFFFAOYSA-N -1 1 421.207 3.734 20 5 HHBDMM COc1cc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000445397578 987454765 /nfs/dbraw/zinc/45/47/65/987454765.db2.gz JLPVTWKAVFIGCW-UHFFFAOYSA-N -1 1 422.191 3.701 20 5 HHBDMM CCOc1cc(-c2noc(COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc(Cl)c1[O-] ZINC000445429476 987500944 /nfs/dbraw/zinc/50/09/44/987500944.db2.gz DQASKPVWWQWOSU-UHFFFAOYSA-N -1 1 421.793 3.990 20 5 HHBDMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000445707674 987773603 /nfs/dbraw/zinc/77/36/03/987773603.db2.gz QVAZTPWYBZXZNQ-SNVBAGLBSA-N -1 1 419.219 3.613 20 5 HHBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n[nH]c1-c1ccccc1 ZINC000464401277 988567557 /nfs/dbraw/zinc/56/75/57/988567557.db2.gz CBNJDBYWWDSSCJ-UHFFFAOYSA-N -1 1 409.427 3.642 20 5 HHBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc(C(F)(F)F)cs1 ZINC000466856515 992174137 /nfs/dbraw/zinc/17/41/37/992174137.db2.gz RFHWAFIYFQHIKH-ZCFIWIBFSA-N -1 1 401.413 3.561 20 5 HHBDMM CCC(O)(CC)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000472439137 993441244 /nfs/dbraw/zinc/44/12/44/993441244.db2.gz KNUQNBJZEPPKKF-UHFFFAOYSA-N -1 1 407.492 3.749 20 5 HHBDMM CCOc1cc([N-]C(=O)c2cc(COC(C)(C)C)on2)c([N+](=O)[O-])cc1OCC ZINC000472523094 993513628 /nfs/dbraw/zinc/51/36/28/993513628.db2.gz PDLTZDDGIVHKJQ-UHFFFAOYSA-N -1 1 407.423 3.948 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c2ncccc12 ZINC000481870232 994732710 /nfs/dbraw/zinc/73/27/10/994732710.db2.gz SLUOGAZHWRUIME-UHFFFAOYSA-N -1 1 405.819 3.532 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000481954772 994836747 /nfs/dbraw/zinc/83/67/47/994836747.db2.gz CJOGKFFBCSHSTK-SFHVURJKSA-N -1 1 406.460 3.570 20 5 HHBDMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481962069 994849430 /nfs/dbraw/zinc/84/94/30/994849430.db2.gz PHTDGSUKBLRVGT-UHFFFAOYSA-N -1 1 405.476 3.915 20 5 HHBDMM Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1OC1CCOCC1 ZINC000481974277 994866903 /nfs/dbraw/zinc/86/69/03/994866903.db2.gz ORCDNAXYCWTBMZ-UHFFFAOYSA-N -1 1 420.487 3.879 20 5 HHBDMM COCCOc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1Cl ZINC000481982883 994880257 /nfs/dbraw/zinc/88/02/57/994880257.db2.gz RQCKWZJZTZRNOQ-UHFFFAOYSA-N -1 1 414.867 3.691 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H](CO)c3cccc(Br)c3)n2)cc1 ZINC000482033481 994951306 /nfs/dbraw/zinc/95/13/06/994951306.db2.gz OOGLWULWRJDAJM-AWEZNQCLSA-N -1 1 405.208 3.553 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2)cc1[N+](=O)[O-] ZINC000482999481 995911057 /nfs/dbraw/zinc/91/10/57/995911057.db2.gz RYLCHGIPBCGDSR-DZFIZOCASA-N -1 1 415.471 3.689 20 5 HHBDMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475789293 996372440 /nfs/dbraw/zinc/37/24/40/996372440.db2.gz ICZKCIDNCXPLRL-UHFFFAOYSA-N -1 1 402.425 3.592 20 5 HHBDMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000484768288 997113130 /nfs/dbraw/zinc/11/31/30/997113130.db2.gz LSKCEQMNNXUEME-UHFFFAOYSA-N -1 1 418.818 3.790 20 5 HHBDMM CCSCc1cccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488276163 999420586 /nfs/dbraw/zinc/42/05/86/999420586.db2.gz DFGSHTKCPGMCSZ-UHFFFAOYSA-N -1 1 400.453 3.796 20 5 HHBDMM C[C@@]12CCN(c3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000488429883 999484843 /nfs/dbraw/zinc/48/48/43/999484843.db2.gz FMTRFQOGTLWVLQ-ZWKOTPCHSA-N -1 1 423.441 3.877 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2noc([N-][C@@H](CO)c3ccc(Br)c(F)c3)n2)cc1 ZINC000488729861 999591144 /nfs/dbraw/zinc/59/11/44/999591144.db2.gz DQKUTIDJGYOBFX-AWEZNQCLSA-N -1 1 423.198 3.692 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000489002393 999669080 /nfs/dbraw/zinc/66/90/80/999669080.db2.gz REXOSQFTTZGQFP-QMMMGPOBSA-N -1 1 421.219 3.675 20 5 HHBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000480686636 999859190 /nfs/dbraw/zinc/85/91/90/999859190.db2.gz DLOSXYINCQOQLK-SFHVURJKSA-N -1 1 416.455 3.881 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)cc1[N+](=O)[O-] ZINC000491544807 1000082652 /nfs/dbraw/zinc/08/26/52/1000082652.db2.gz JLOBPKGDKVNILW-UHFFFAOYSA-N -1 1 424.482 3.928 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000493893692 1000203586 /nfs/dbraw/zinc/20/35/86/1000203586.db2.gz IKRZCACYBPAXJZ-OAHLLOKOSA-N -1 1 422.356 3.633 20 5 HHBDMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000504985065 1000489389 /nfs/dbraw/zinc/48/93/89/1000489389.db2.gz KVTQLMIFJMOIRB-UHFFFAOYSA-N -1 1 424.500 3.500 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1cccc(F)c1)c1ccccn1 ZINC000497967724 1001583130 /nfs/dbraw/zinc/58/31/30/1001583130.db2.gz WINUABRVIUBHFH-QGZVFWFLSA-N -1 1 421.837 3.850 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)c1 ZINC000507635430 1002237127 /nfs/dbraw/zinc/23/71/27/1002237127.db2.gz LINHOLBGTGIQJF-UHFFFAOYSA-N -1 1 404.444 3.756 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000508126767 1002657060 /nfs/dbraw/zinc/65/70/60/1002657060.db2.gz VXHKRQJCZAMWGQ-MRXNPFEDSA-N -1 1 413.377 3.966 20 5 HHBDMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000509558182 1003944333 /nfs/dbraw/zinc/94/43/33/1003944333.db2.gz MSIIGIHXHOHAGY-UHFFFAOYSA-N -1 1 416.484 3.954 20 5 HHBDMM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Cl)s1 ZINC000512153743 1004062368 /nfs/dbraw/zinc/06/23/68/1004062368.db2.gz KTNRHDGBZULTSS-VIFPVBQESA-N -1 1 418.880 3.511 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(OCc3ccccc3)cc2)s1 ZINC000512784577 1004558038 /nfs/dbraw/zinc/55/80/38/1004558038.db2.gz YZCYJNOKFVJAKH-UHFFFAOYSA-N -1 1 418.496 3.756 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000511119072 1005027420 /nfs/dbraw/zinc/02/74/20/1005027420.db2.gz FQOSKOMRGPXIGP-UHFFFAOYSA-N -1 1 418.427 3.714 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC3(C)C)cc2)cc1[N+](=O)[O-] ZINC000503341345 1005393916 /nfs/dbraw/zinc/39/39/16/1005393916.db2.gz SFGIUNQFCHMKTJ-INIZCTEOSA-N -1 1 403.460 3.689 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)c([N+](=O)[O-])n1 ZINC000532856254 1007244580 /nfs/dbraw/zinc/24/45/80/1007244580.db2.gz PFPXJXGXEIUWTG-AWEZNQCLSA-N -1 1 420.413 3.506 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2Cl)s1 ZINC000519152591 1008566495 /nfs/dbraw/zinc/56/64/95/1008566495.db2.gz OKNDUZMOCJBIAB-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1-c1noc(CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000545697550 1008792260 /nfs/dbraw/zinc/79/22/60/1008792260.db2.gz YUAGYTGLIHZLPF-UHFFFAOYSA-N -1 1 418.413 3.604 20 5 HHBDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000519774072 1009000728 /nfs/dbraw/zinc/00/07/28/1009000728.db2.gz GEAVOQAAUOYQOQ-UHFFFAOYSA-N -1 1 400.460 3.521 20 5 HHBDMM COC1(CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCC1 ZINC000549578235 1009203156 /nfs/dbraw/zinc/20/31/56/1009203156.db2.gz SWSRKDPLECWFEO-UHFFFAOYSA-N -1 1 405.476 3.767 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000544640070 1010265173 /nfs/dbraw/zinc/26/51/73/1010265173.db2.gz MYKMJCDTBVXUIQ-QGZVFWFLSA-N -1 1 406.460 3.570 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1 ZINC000544640932 1010265650 /nfs/dbraw/zinc/26/56/50/1010265650.db2.gz OCECPULISLRNQN-UHFFFAOYSA-N -1 1 413.455 3.986 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)c1 ZINC000544644175 1010269200 /nfs/dbraw/zinc/26/92/00/1010269200.db2.gz GZXLPKHOZYKESX-UHFFFAOYSA-N -1 1 420.487 3.897 20 5 HHBDMM COc1cc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)c([N+](=O)[O-])cc1OC ZINC000523719331 1012330099 /nfs/dbraw/zinc/33/00/99/1012330099.db2.gz IJVXIVSHPJQSMX-UHFFFAOYSA-N -1 1 414.443 4.000 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)c1 ZINC000541798451 1012674816 /nfs/dbraw/zinc/67/48/16/1012674816.db2.gz GFAYWAWJFSZYIK-UHFFFAOYSA-N -1 1 422.503 3.954 20 5 HHBDMM COc1cc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000541824612 1012711576 /nfs/dbraw/zinc/71/15/76/1012711576.db2.gz NCXXFJNQBUGKBD-AWEZNQCLSA-N -1 1 424.784 3.839 20 5 HHBDMM COCCOc1c(Cl)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000588838500 1073299452 /nfs/dbraw/zinc/29/94/52/1073299452.db2.gz QFAJZFVJVWAIPJ-UHFFFAOYSA-N -1 1 421.258 3.728 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c(F)cc1[N+](=O)[O-] ZINC000590598369 1073933691 /nfs/dbraw/zinc/93/36/91/1073933691.db2.gz WFTXDMKFOOVLTA-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C1CCOCC1 ZINC000301665080 971020578 /nfs/dbraw/zinc/02/05/78/971020578.db2.gz LPBBELSIICLDJY-CQSZACIVSA-N -1 1 405.476 3.623 20 5 HHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(OCc3ccccn3)c2)s1 ZINC000302191841 971203597 /nfs/dbraw/zinc/20/35/97/971203597.db2.gz RGDMRSTZDOUOKV-UHFFFAOYSA-N -1 1 405.457 3.777 20 5 HHBDMM C[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCS1 ZINC000302734518 971294911 /nfs/dbraw/zinc/29/49/11/971294911.db2.gz OGGBGTZMSNKTCS-CQSZACIVSA-N -1 1 407.517 3.727 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000303155346 971531936 /nfs/dbraw/zinc/53/19/36/971531936.db2.gz GRWLIMQNKFJYEI-INIZCTEOSA-N -1 1 411.277 3.787 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br ZINC000020921740 963404740 /nfs/dbraw/zinc/40/47/40/963404740.db2.gz DGFTWDYLJIUKBM-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM COc1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000542576927 1013518206 /nfs/dbraw/zinc/51/82/06/1013518206.db2.gz XKNJMIAGXOEEGL-UHFFFAOYSA-N -1 1 411.365 3.554 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OCCc2ccccc2)ccc1[O-] ZINC000032631565 966298323 /nfs/dbraw/zinc/29/83/23/966298323.db2.gz YXXFAQWANZFNGQ-UHFFFAOYSA-N -1 1 414.439 3.723 20 5 HHBDMM Cc1noc(C)c1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000063255140 966792567 /nfs/dbraw/zinc/79/25/67/966792567.db2.gz UYKFSVDRORCJND-UHFFFAOYSA-N -1 1 402.432 3.613 20 5 HHBDMM Cc1nc(CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cs1 ZINC000042633669 966814899 /nfs/dbraw/zinc/81/48/99/966814899.db2.gz WJSNEZXNPFACPH-UHFFFAOYSA-N -1 1 418.500 3.815 20 5 HHBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2)no1 ZINC000063849837 966977351 /nfs/dbraw/zinc/97/73/51/966977351.db2.gz FSBQVOXRNGHOCK-UHFFFAOYSA-N -1 1 408.823 3.716 20 5 HHBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064907139 967325569 /nfs/dbraw/zinc/32/55/69/967325569.db2.gz VTJYCFMFXWLQNG-UHFFFAOYSA-N -1 1 401.351 3.841 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000046341168 967751392 /nfs/dbraw/zinc/75/13/92/967751392.db2.gz IMPCYDWQOFBUKS-UHFFFAOYSA-N -1 1 418.500 3.897 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C)CCCC3)cc2)cc1[N+](=O)[O-] ZINC000150153702 970430531 /nfs/dbraw/zinc/43/05/31/970430531.db2.gz NVQCKKFOGLSKHE-UHFFFAOYSA-N -1 1 417.487 3.767 20 5 HHBDMM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410418484 974016694 /nfs/dbraw/zinc/01/66/94/974016694.db2.gz KQQOVTHLBSWIIT-UHFFFAOYSA-N -1 1 423.205 3.628 20 5 HHBDMM COc1ccc(Br)cc1[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000426751007 974634992 /nfs/dbraw/zinc/63/49/92/974634992.db2.gz RVUDMDDZOANHSQ-MRXNPFEDSA-N -1 1 409.236 3.590 20 5 HHBDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2)n1 ZINC000432178276 978701843 /nfs/dbraw/zinc/70/18/43/978701843.db2.gz PVIDBTJPTVUQOX-UHFFFAOYSA-N -1 1 416.459 3.933 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436729997 981535325 /nfs/dbraw/zinc/53/53/25/981535325.db2.gz DCJLCKLZIWZGTM-YVEFUNNKSA-N -1 1 407.829 3.516 20 5 HHBDMM COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c([O-])c1 ZINC000436950841 981641430 /nfs/dbraw/zinc/64/14/30/981641430.db2.gz WKACZOJZPFLWNV-UHFFFAOYSA-N -1 1 406.192 3.712 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436986484 981668312 /nfs/dbraw/zinc/66/83/12/981668312.db2.gz JTXIEAGUPIPSJC-FZKQIMNGSA-N -1 1 407.829 3.516 20 5 HHBDMM COc1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)c([N+](=O)[O-])cc1OC ZINC000443875962 986076270 /nfs/dbraw/zinc/07/62/70/986076270.db2.gz HKJSDNBVBAJUMK-UHFFFAOYSA-N -1 1 417.162 3.905 20 5 HHBDMM COc1ccccc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000444994921 987124020 /nfs/dbraw/zinc/12/40/20/987124020.db2.gz FVYBMSGIEOCVDU-GOSISDBHSA-N -1 1 413.817 3.877 20 5 HHBDMM COc1cc(-c2noc(COc3cccc([N+](=O)[O-])c3)n2)cc(Br)c1[O-] ZINC000445407386 987466067 /nfs/dbraw/zinc/46/60/67/987466067.db2.gz YVDYHNQHAQMTRD-UHFFFAOYSA-N -1 1 422.191 3.701 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)cc1[N+](=O)[O-] ZINC000470453859 988435823 /nfs/dbraw/zinc/43/58/23/988435823.db2.gz YBSATSYOUFWVLQ-UHFFFAOYSA-N -1 1 403.416 3.676 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c2ncccc12 ZINC000464416003 988587476 /nfs/dbraw/zinc/58/74/76/988587476.db2.gz DNFPZUHWDOJPIK-UHFFFAOYSA-N -1 1 416.434 3.683 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000471110504 989212698 /nfs/dbraw/zinc/21/26/98/989212698.db2.gz QZQRJLHONMEZLX-UHFFFAOYSA-N -1 1 418.349 3.589 20 5 HHBDMM Cc1nc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2)cs1 ZINC000471117052 989220948 /nfs/dbraw/zinc/22/09/48/989220948.db2.gz RWESKHSAGFOSNJ-UHFFFAOYSA-N -1 1 419.440 3.526 20 5 HHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH]n1 ZINC000471505942 989704058 /nfs/dbraw/zinc/70/40/58/989704058.db2.gz YZXIEVUHADGCPT-VIFPVBQESA-N -1 1 417.285 3.785 20 5 HHBDMM Cc1nccn1-c1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000465493148 989841591 /nfs/dbraw/zinc/84/15/91/989841591.db2.gz RYSICXHMYIEWTN-GFCCVEGCSA-N -1 1 420.878 3.782 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCCc2sccc21 ZINC000466541198 991847282 /nfs/dbraw/zinc/84/72/82/991847282.db2.gz JAXYXEIDOZPLEL-LLVKDONJSA-N -1 1 417.306 3.775 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)cc1[N+](=O)[O-] ZINC000466976157 992287755 /nfs/dbraw/zinc/28/77/55/992287755.db2.gz SBFILTJITCDCDV-UHFFFAOYSA-N -1 1 413.221 3.806 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2noc([N-][C@H](CO)c3ccccc3OC(F)(F)F)n2)cc1 ZINC000480784968 993652926 /nfs/dbraw/zinc/65/29/26/993652926.db2.gz FMPRKEBBIXLWEZ-CYBMUJFWSA-N -1 1 410.308 3.689 20 5 HHBDMM Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)c1 ZINC000472938412 993868862 /nfs/dbraw/zinc/86/88/62/993868862.db2.gz GBXJSJYLHPJZCU-UHFFFAOYSA-N -1 1 421.413 3.578 20 5 HHBDMM O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cn1 ZINC000474784709 995709622 /nfs/dbraw/zinc/70/96/22/995709622.db2.gz NKKYWFKGNNNDAL-UHFFFAOYSA-N -1 1 402.407 3.542 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccc(F)cn1 ZINC000477164828 997829601 /nfs/dbraw/zinc/82/96/01/997829601.db2.gz QYNSRYVTPPZUAB-UHFFFAOYSA-N -1 1 402.407 3.542 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000491822878 1000095689 /nfs/dbraw/zinc/09/56/89/1000095689.db2.gz YDXIZJGPLGIPHF-UHFFFAOYSA-N -1 1 420.487 3.818 20 5 HHBDMM COCCC1(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000493894329 1000203781 /nfs/dbraw/zinc/20/37/81/1000203781.db2.gz NGOLURRNFGPHFT-UHFFFAOYSA-N -1 1 405.476 3.624 20 5 HHBDMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000504979912 1000485424 /nfs/dbraw/zinc/48/54/24/1000485424.db2.gz SHONVWITUWKTQE-UHFFFAOYSA-N -1 1 424.500 3.500 20 5 HHBDMM O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000498870861 1002256668 /nfs/dbraw/zinc/25/66/68/1002256668.db2.gz DMSSIZFYKAMWNB-UHFFFAOYSA-N -1 1 410.817 3.918 20 5 HHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1OC[C@H]1CCCCO1 ZINC000499154249 1002538158 /nfs/dbraw/zinc/53/81/58/1002538158.db2.gz IWOZPWWPXUMAJS-QGZVFWFLSA-N -1 1 420.487 3.527 20 5 HHBDMM CC1(c2cccc(Br)c2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000509277958 1003675190 /nfs/dbraw/zinc/67/51/90/1003675190.db2.gz DEBGXFLPUDYVKE-UHFFFAOYSA-N -1 1 420.263 3.652 20 5 HHBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)cc1 ZINC000512763679 1004545232 /nfs/dbraw/zinc/54/52/32/1004545232.db2.gz SHAFMJDAAUCTDN-UHFFFAOYSA-N -1 1 419.322 3.675 20 5 HHBDMM CCOc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc(Cl)c1[O-] ZINC000516133607 1006907235 /nfs/dbraw/zinc/90/72/35/1006907235.db2.gz QOFJOFTVGIQCJM-UHFFFAOYSA-N -1 1 403.822 3.806 20 5 HHBDMM C[C@@H]1C[C@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000538927167 1007211922 /nfs/dbraw/zinc/21/19/22/1007211922.db2.gz IYZFEDXGHAXKJE-HUUCEWRRSA-N -1 1 405.476 3.623 20 5 HHBDMM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000517087443 1007400308 /nfs/dbraw/zinc/40/03/08/1007400308.db2.gz KJZRTKWMADBVOI-UHFFFAOYSA-N -1 1 403.913 3.523 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)cc1[N+](=O)[O-] ZINC000535987063 1008026138 /nfs/dbraw/zinc/02/61/38/1008026138.db2.gz CWWBRHAQHQKPHK-UHFFFAOYSA-N -1 1 410.455 3.619 20 5 HHBDMM Cn1cc(C(=O)Nc2ccc(Br)cc2[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518466881 1008318736 /nfs/dbraw/zinc/31/87/36/1008318736.db2.gz WTXNMGZWUKCPPM-UHFFFAOYSA-N -1 1 417.219 3.716 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000540321894 1008379529 /nfs/dbraw/zinc/37/95/29/1008379529.db2.gz ZDTIUKILNRBUTN-DZGCQCFKSA-N -1 1 417.270 3.710 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000520738155 1009808548 /nfs/dbraw/zinc/80/85/48/1009808548.db2.gz DQDHQTWEJNVFHD-DOTOQJQBSA-N -1 1 414.842 3.586 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCc4nnc5n4CCCCC5)cc3)no2)[n-]1 ZINC000546956222 1009913904 /nfs/dbraw/zinc/91/39/04/1009913904.db2.gz MGQOFGGJXWGILN-UHFFFAOYSA-N -1 1 421.417 3.537 20 5 HHBDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000547340222 1010260881 /nfs/dbraw/zinc/26/08/81/1010260881.db2.gz QUONTWFKFGWSMZ-UHFFFAOYSA-N -1 1 412.851 3.761 20 5 HHBDMM CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000544642760 1010267619 /nfs/dbraw/zinc/26/76/19/1010267619.db2.gz KCMQZNONNCNVBQ-UHFFFAOYSA-N -1 1 422.459 3.799 20 5 HHBDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2)n1 ZINC000544646271 1010271404 /nfs/dbraw/zinc/27/14/04/1010271404.db2.gz FIVKEWVCQJTADL-UHFFFAOYSA-N -1 1 416.459 3.933 20 5 HHBDMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000522971006 1011419636 /nfs/dbraw/zinc/41/96/36/1011419636.db2.gz VDYLXHOSBCBXIN-ZUZCIYMTSA-N -1 1 419.286 3.956 20 5 HHBDMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000522971005 1011419796 /nfs/dbraw/zinc/41/97/96/1011419796.db2.gz VDYLXHOSBCBXIN-MEBBXXQBSA-N -1 1 419.286 3.956 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1C ZINC000523822384 1012505857 /nfs/dbraw/zinc/50/58/57/1012505857.db2.gz RUHVONMNHRBLAB-UHFFFAOYSA-N -1 1 416.814 3.673 20 5 HHBDMM COc1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000541824613 1012711029 /nfs/dbraw/zinc/71/10/29/1012711029.db2.gz NCXXFJNQBUGKBD-CQSZACIVSA-N -1 1 424.784 3.839 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCc1cscn1 ZINC000301549521 970975370 /nfs/dbraw/zinc/97/53/70/970975370.db2.gz QEISZIACZFMVLG-UHFFFAOYSA-N -1 1 404.473 3.507 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC1(O)CCCCC1 ZINC000301975830 971139093 /nfs/dbraw/zinc/13/90/93/971139093.db2.gz DBTIIAXBRDJUIW-UHFFFAOYSA-N -1 1 405.476 3.503 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC[C@H]1CCCCO1 ZINC000302022306 971154593 /nfs/dbraw/zinc/15/45/93/971154593.db2.gz ISLQWXSKVNEQOH-MRXNPFEDSA-N -1 1 405.476 3.767 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-] ZINC000012652215 962307371 /nfs/dbraw/zinc/30/73/71/962307371.db2.gz AGHLMRPJCLDUSW-UHFFFAOYSA-N -1 1 418.500 3.914 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1cn2ccccc2n1 ZINC000015130672 962667597 /nfs/dbraw/zinc/66/75/97/962667597.db2.gz GTZXVQGNFUVXCX-UHFFFAOYSA-N -1 1 423.454 3.655 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(F)cc(Br)c1 ZINC000195669328 969945021 /nfs/dbraw/zinc/94/50/21/969945021.db2.gz FQQDBLJHSVXUAF-UHFFFAOYSA-N -1 1 423.647 3.628 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000146248904 970284613 /nfs/dbraw/zinc/28/46/13/970284613.db2.gz NXWIDTXCTPCQHS-RHSMWYFYSA-N -1 1 410.879 3.694 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000146935645 970313991 /nfs/dbraw/zinc/31/39/91/970313991.db2.gz ULZIMNPKWAWOCV-HZPDHXFCSA-N -1 1 414.842 3.586 20 5 HHBDMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2O1 ZINC000170551774 970492765 /nfs/dbraw/zinc/49/27/65/970492765.db2.gz WAVAPIRHZMIXRJ-UHFFFAOYSA-N -1 1 410.835 3.793 20 5 HHBDMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000322888676 972704959 /nfs/dbraw/zinc/70/49/59/972704959.db2.gz MKJSFRMCOGQCPL-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000323017184 972707494 /nfs/dbraw/zinc/70/74/94/972707494.db2.gz HRSZSQUJNWFBOM-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c(F)c1 ZINC000387530569 972801869 /nfs/dbraw/zinc/80/18/69/972801869.db2.gz SBXROQVEVZXDHC-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)[nH]c2c1 ZINC000427658312 975228193 /nfs/dbraw/zinc/22/81/93/975228193.db2.gz XFRKDSYMYDANLU-UHFFFAOYSA-N -1 1 400.338 3.599 20 5 HHBDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000427808656 975301934 /nfs/dbraw/zinc/30/19/34/975301934.db2.gz QRNNTCXRQKNHPS-SFHVURJKSA-N -1 1 422.846 3.918 20 5 HHBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc(Cl)cc3[N+](=O)[O-])c2)n1 ZINC000432930186 979014626 /nfs/dbraw/zinc/01/46/26/979014626.db2.gz WBMBBOVLPUWPMJ-UHFFFAOYSA-N -1 1 401.810 3.822 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)s1 ZINC000435589110 980951633 /nfs/dbraw/zinc/95/16/33/980951633.db2.gz PYEYQEZFRZVNPS-UMSPYCQHSA-N -1 1 406.407 3.900 20 5 HHBDMM O=C(c1ccc(Br)cc1[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436589077 981462726 /nfs/dbraw/zinc/46/27/26/981462726.db2.gz JQVWORLJIHGTHL-MRXNPFEDSA-N -1 1 409.261 3.951 20 5 HHBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436948110 981639315 /nfs/dbraw/zinc/63/93/15/981639315.db2.gz OFXMFIQQTLUTSM-UHFFFAOYSA-N -1 1 423.391 3.667 20 5 HHBDMM Cc1ccc(-c2ncccc2NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)s1 ZINC000437690589 982299277 /nfs/dbraw/zinc/29/92/77/982299277.db2.gz ZDTNTCJEGKEROY-UHFFFAOYSA-N -1 1 405.457 3.842 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CCCS3)cc2)cc1[N+](=O)[O-] ZINC000438895714 983141354 /nfs/dbraw/zinc/14/13/54/983141354.db2.gz KTGJRHIDKCPGMS-QGZVFWFLSA-N -1 1 421.500 3.538 20 5 HHBDMM COc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc(Cl)c1[O-] ZINC000443273602 985465588 /nfs/dbraw/zinc/46/55/88/985465588.db2.gz LXXALYRUROUPGA-UHFFFAOYSA-N -1 1 406.822 3.646 20 5 HHBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444371237 986547533 /nfs/dbraw/zinc/54/75/33/986547533.db2.gz GQBUFEHRGMSVNL-UHFFFAOYSA-N -1 1 411.458 3.934 20 5 HHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2C)o1 ZINC000463787178 986777985 /nfs/dbraw/zinc/77/79/85/986777985.db2.gz BFYUVFUPUHMTRK-UHFFFAOYSA-N -1 1 413.415 3.544 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2ccc(C[N-]c3nnc(C(F)F)o3)o2)c(Br)c1 ZINC000469456180 987141716 /nfs/dbraw/zinc/14/17/16/987141716.db2.gz DFIQGJRDEZXNEQ-UHFFFAOYSA-N -1 1 415.150 4.550 20 5 HHBDMM COc1cc(-c2noc(-c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000445398524 987455722 /nfs/dbraw/zinc/45/57/22/987455722.db2.gz VWLBDTIJNFPNTL-UHFFFAOYSA-N -1 1 424.211 3.635 20 5 HHBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000470697668 988721481 /nfs/dbraw/zinc/72/14/81/988721481.db2.gz UFKNHAQLAWNIPH-UHFFFAOYSA-N -1 1 413.262 3.725 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000471110945 989213662 /nfs/dbraw/zinc/21/36/62/989213662.db2.gz XUKVIRHKRVZVGD-UHFFFAOYSA-N -1 1 424.406 3.554 20 5 HHBDMM CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000471117810 989221611 /nfs/dbraw/zinc/22/16/11/989221611.db2.gz XMAQWXLHTDSQKR-UHFFFAOYSA-N -1 1 414.823 3.534 20 5 HHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH]n1 ZINC000471507304 989705786 /nfs/dbraw/zinc/70/57/86/989705786.db2.gz KMNPKMMKFZXDLE-SECBINFHSA-N -1 1 417.285 3.785 20 5 HHBDMM CCCCc1cc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000471518989 989718384 /nfs/dbraw/zinc/71/83/84/989718384.db2.gz DFWFZVOKJRLQFS-UHFFFAOYSA-N -1 1 417.285 3.532 20 5 HHBDMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000471868338 990040532 /nfs/dbraw/zinc/04/05/32/990040532.db2.gz BYLOHPQEMICCEM-CYBMUJFWSA-N -1 1 416.459 3.555 20 5 HHBDMM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)co2)cc1 ZINC000466927222 992239504 /nfs/dbraw/zinc/23/95/04/992239504.db2.gz YDASYEFMSMKVNW-UHFFFAOYSA-N -1 1 407.835 3.690 20 5 HHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466974574 992285835 /nfs/dbraw/zinc/28/58/35/992285835.db2.gz LFZTYACAZRGDDG-AWEZNQCLSA-N -1 1 424.450 3.567 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000467397459 992706861 /nfs/dbraw/zinc/70/68/61/992706861.db2.gz WLWIVRRAUFZJOI-UHFFFAOYSA-N -1 1 402.432 3.548 20 5 HHBDMM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(SCCC(=O)[O-])c1 ZINC000484500983 996827633 /nfs/dbraw/zinc/82/76/33/996827633.db2.gz IMXFHEQZIYIZHG-UHFFFAOYSA-N -1 1 410.473 3.579 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485948769 998392315 /nfs/dbraw/zinc/39/23/15/998392315.db2.gz CBJSJWJTWIGLKZ-LBPRGKRZSA-N -1 1 408.785 3.873 20 5 HHBDMM Cn1ccnc1-c1csc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000486281811 998694010 /nfs/dbraw/zinc/69/40/10/998694010.db2.gz JLDXFZFHMZJWAA-UHFFFAOYSA-N -1 1 414.266 3.528 20 5 HHBDMM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486613974 998858122 /nfs/dbraw/zinc/85/81/22/998858122.db2.gz CDDGSUVUZQBJRR-HTQZYQBOSA-N -1 1 422.294 3.573 20 5 HHBDMM O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000487648718 999241731 /nfs/dbraw/zinc/24/17/31/999241731.db2.gz LOPBSSMWJIWNFU-UHFFFAOYSA-N -1 1 407.249 3.985 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000488824277 999619356 /nfs/dbraw/zinc/61/93/56/999619356.db2.gz PAMVEIHJKBEOMK-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(Cl)c1F ZINC000491542337 1000082725 /nfs/dbraw/zinc/08/27/25/1000082725.db2.gz CPGDSUYTUOUJNU-UHFFFAOYSA-N -1 1 416.814 3.592 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000491604279 1000089055 /nfs/dbraw/zinc/08/90/55/1000089055.db2.gz KSUUOMBLVFHXGM-UHFFFAOYSA-N -1 1 405.476 3.541 20 5 HHBDMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491854506 1000097665 /nfs/dbraw/zinc/09/76/65/1000097665.db2.gz SXWMXPQDHNFQJJ-UHFFFAOYSA-N -1 1 424.500 3.668 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000492977439 1000152241 /nfs/dbraw/zinc/15/22/41/1000152241.db2.gz SQPZTKHLAOSFNW-HOTGVXAUSA-N -1 1 419.503 3.626 20 5 HHBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1NC(=O)c1ccco1 ZINC000497554999 1001432905 /nfs/dbraw/zinc/43/29/05/1001432905.db2.gz OYVHQTOCXUWYPA-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000497830259 1001528553 /nfs/dbraw/zinc/52/85/53/1001528553.db2.gz AEZRCBRRKXTSAA-GFCCVEGCSA-N -1 1 424.388 3.578 20 5 HHBDMM Cc1cccc2nc(C[N-]S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[nH]c21 ZINC000497948145 1001575775 /nfs/dbraw/zinc/57/57/75/1001575775.db2.gz FOKQPXRRRPPRSH-UHFFFAOYSA-N -1 1 415.258 3.565 20 5 HHBDMM Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000499271585 1002677360 /nfs/dbraw/zinc/67/73/60/1002677360.db2.gz IFODYZHVWTYVIE-UHFFFAOYSA-N -1 1 401.231 3.887 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccoc2)c1 ZINC000500285418 1003599298 /nfs/dbraw/zinc/59/92/98/1003599298.db2.gz FOAQPSNCKQNOSW-UHFFFAOYSA-N -1 1 401.400 3.549 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CCC2)s1 ZINC000512771226 1004550224 /nfs/dbraw/zinc/55/02/24/1004550224.db2.gz SJVDKQZSYLJUSK-UHFFFAOYSA-N -1 1 417.306 3.777 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000543170988 1008746269 /nfs/dbraw/zinc/74/62/69/1008746269.db2.gz QDESQRHMZKARLV-AWEZNQCLSA-N -1 1 410.320 3.763 20 5 HHBDMM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)s1 ZINC000549772791 1009385391 /nfs/dbraw/zinc/38/53/91/1009385391.db2.gz JUUCFIOVKMUVCH-UHFFFAOYSA-N -1 1 419.492 3.872 20 5 HHBDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000544079832 1009686220 /nfs/dbraw/zinc/68/62/20/1009686220.db2.gz VMXSNRNHJPGFEZ-UHFFFAOYSA-N -1 1 400.460 3.521 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000544639303 1010264257 /nfs/dbraw/zinc/26/42/57/1010264257.db2.gz BMDYUEHTGACBLH-UHFFFAOYSA-N -1 1 417.487 3.639 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)cc1[N+](=O)[O-] ZINC000523123587 1011589770 /nfs/dbraw/zinc/58/97/70/1011589770.db2.gz QWSQGFRKPJEJSW-UHFFFAOYSA-N -1 1 406.460 3.570 20 5 HHBDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000536892979 1012146022 /nfs/dbraw/zinc/14/60/22/1012146022.db2.gz JKRTTWNATCPGJT-UHFFFAOYSA-N -1 1 402.432 3.573 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2C)cc([N+](=O)[O-])c1C ZINC000523819647 1012501909 /nfs/dbraw/zinc/50/19/09/1012501909.db2.gz DYUXHFPYIGSLOU-UHFFFAOYSA-N -1 1 422.459 3.588 20 5 HHBDMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000524187549 1012990302 /nfs/dbraw/zinc/99/03/02/1012990302.db2.gz CKQCWLNEILYVJK-UHFFFAOYSA-N -1 1 407.517 3.566 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)cc1[N+](=O)[O-] ZINC000555579757 1073637206 /nfs/dbraw/zinc/63/72/06/1073637206.db2.gz KTQCPYUKDPZZKV-UHFFFAOYSA-N -1 1 423.454 3.722 20 5 HHBDMM Cn1cc([N+](=O)[O-])cc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000761020940 1075200302 /nfs/dbraw/zinc/20/03/02/1075200302.db2.gz ZQSHOMQRLFODSE-UHFFFAOYSA-N -1 1 410.411 3.668 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OCc2ccccc2)ccc1[O-] ZINC000593219173 1075574495 /nfs/dbraw/zinc/57/44/95/1075574495.db2.gz OLHJYULTPSPASR-UHFFFAOYSA-N -1 1 400.412 3.680 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC[C@@H]1CCCCO1 ZINC000302022305 971153458 /nfs/dbraw/zinc/15/34/58/971153458.db2.gz ISLQWXSKVNEQOH-INIZCTEOSA-N -1 1 405.476 3.767 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000537657897 1013217806 /nfs/dbraw/zinc/21/78/06/1013217806.db2.gz ZOVWVGUZKGCCNU-CYBMUJFWSA-N -1 1 401.419 3.835 20 5 HHBDMM CCc1cc2c(COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000007505834 961220342 /nfs/dbraw/zinc/22/03/42/961220342.db2.gz AGVSOCAJNLAQQD-UHFFFAOYSA-N -1 1 403.774 3.980 20 5 HHBDMM CC(C)CCOCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000553275963 1013238624 /nfs/dbraw/zinc/23/86/24/1013238624.db2.gz ASKXRBJYWWORFL-UHFFFAOYSA-N -1 1 407.492 3.870 20 5 HHBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050333050 964311414 /nfs/dbraw/zinc/31/14/14/964311414.db2.gz NHGXNSQPWAGYRL-UHFFFAOYSA-N -1 1 410.440 3.884 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)cc1[N+](=O)[O-] ZINC000026548121 964597068 /nfs/dbraw/zinc/59/70/68/964597068.db2.gz RGSLQIUNSQKUAQ-UHFFFAOYSA-N -1 1 415.427 3.937 20 5 HHBDMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])s1 ZINC000060850890 966308366 /nfs/dbraw/zinc/30/83/66/966308366.db2.gz CHNUMWLZUHPFNB-UHFFFAOYSA-N -1 1 421.431 3.849 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OCc3cccc(F)c3)cc2)s1 ZINC000064245225 967105232 /nfs/dbraw/zinc/10/52/32/967105232.db2.gz IMSXWNBOVOVUBO-UHFFFAOYSA-N -1 1 422.459 3.853 20 5 HHBDMM Cc1sc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)cc1[N+](=O)[O-] ZINC000064463001 967197801 /nfs/dbraw/zinc/19/78/01/967197801.db2.gz VXJXURDGAOMPGY-UHFFFAOYSA-N -1 1 422.264 3.619 20 5 HHBDMM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000047339395 968145877 /nfs/dbraw/zinc/14/58/77/968145877.db2.gz NKFKSVNTPFFKFK-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ccc2ccccc2c1 ZINC000195669214 969944911 /nfs/dbraw/zinc/94/49/11/969944911.db2.gz WOMVSRFGBSXYKK-UHFFFAOYSA-N -1 1 406.847 3.759 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)c(F)c1 ZINC000315508751 972645387 /nfs/dbraw/zinc/64/53/87/972645387.db2.gz DKDDCKMZGXEXCR-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncccc2Br)cc1[N+](=O)[O-] ZINC000315690914 972646565 /nfs/dbraw/zinc/64/65/65/972646565.db2.gz DPYYIYVKNPZHMA-UHFFFAOYSA-N -1 1 406.645 3.515 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC3CCC3)cc2)cc1[N+](=O)[O-] ZINC000409462843 972909326 /nfs/dbraw/zinc/90/93/26/972909326.db2.gz IBWKAZQLYCDAPS-UHFFFAOYSA-N -1 1 403.460 3.833 20 5 HHBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431158641 978059142 /nfs/dbraw/zinc/05/91/42/978059142.db2.gz CYCWYZWLNSJUED-UHFFFAOYSA-N -1 1 411.155 3.575 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)cc1[N+](=O)[O-] ZINC000431283715 978169198 /nfs/dbraw/zinc/16/91/98/978169198.db2.gz ZXSQXXBPPYSFBX-MSOLQXFVSA-N -1 1 415.471 3.689 20 5 HHBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000432178767 978702150 /nfs/dbraw/zinc/70/21/50/978702150.db2.gz UXRKMUQNALKNIO-UHFFFAOYSA-N -1 1 424.740 3.766 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)ccc1[N+](=O)[O-] ZINC000432642958 978922647 /nfs/dbraw/zinc/92/26/47/978922647.db2.gz MUVQEVMTYASZPS-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000435592741 980952696 /nfs/dbraw/zinc/95/26/96/980952696.db2.gz JEDOHIQJLRCVRR-MJHDQNEOSA-N -1 1 402.806 3.751 20 5 HHBDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000436501638 981404820 /nfs/dbraw/zinc/40/48/20/981404820.db2.gz DSZMAJFTRLQULT-CYBMUJFWSA-N -1 1 413.430 3.576 20 5 HHBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3OC)n2)cc(Br)c1[O-] ZINC000436878151 981599274 /nfs/dbraw/zinc/59/92/74/981599274.db2.gz IRGGTABJJWGHJR-UHFFFAOYSA-N -1 1 422.191 3.797 20 5 HHBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915242 981621045 /nfs/dbraw/zinc/62/10/45/981621045.db2.gz PKAJXXOPICXPPP-SECBINFHSA-N -1 1 419.850 3.858 20 5 HHBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915242 981621050 /nfs/dbraw/zinc/62/10/50/981621050.db2.gz PKAJXXOPICXPPP-SECBINFHSA-N -1 1 419.850 3.858 20 5 HHBDMM O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000438936672 983165020 /nfs/dbraw/zinc/16/50/20/983165020.db2.gz VTQMYJNYVKTBPP-UHFFFAOYSA-N -1 1 404.835 3.820 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000442214793 984733806 /nfs/dbraw/zinc/73/38/06/984733806.db2.gz NOHCGVHLOWROJG-RTBURBONSA-N -1 1 420.487 3.640 20 5 HHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c2cccnc21 ZINC000462360845 985348351 /nfs/dbraw/zinc/34/83/51/985348351.db2.gz QPVRTQLRQKUALD-UHFFFAOYSA-N -1 1 409.370 3.588 20 5 HHBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1cccs1 ZINC000462495519 985448541 /nfs/dbraw/zinc/44/85/41/985448541.db2.gz OXHQEVYMSHJRET-SNVBAGLBSA-N -1 1 419.322 3.576 20 5 HHBDMM CC(C)CO[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000469025540 986734939 /nfs/dbraw/zinc/73/49/39/986734939.db2.gz UCNARXGYWDTGRA-KRWDZBQOSA-N -1 1 419.503 3.647 20 5 HHBDMM C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444963317 987097069 /nfs/dbraw/zinc/09/70/69/987097069.db2.gz GNTSCRSDRDCNBP-BTYIYWSLSA-N -1 1 403.438 3.914 20 5 HHBDMM COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)cc1 ZINC000445013536 987145281 /nfs/dbraw/zinc/14/52/81/987145281.db2.gz USBSGAYAUDBZGO-SNVBAGLBSA-N -1 1 414.443 3.627 20 5 HHBDMM O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445025190 987156980 /nfs/dbraw/zinc/15/69/80/987156980.db2.gz ZWBHUVILVVPIBT-UHFFFAOYSA-N -1 1 401.325 3.696 20 5 HHBDMM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445177012 987260615 /nfs/dbraw/zinc/26/06/15/987260615.db2.gz WAUNYXSPUXYKFI-VIFPVBQESA-N -1 1 402.407 3.757 20 5 HHBDMM COc1cc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000445185542 987265845 /nfs/dbraw/zinc/26/58/45/987265845.db2.gz QGSYWQMLILZOCR-ZDUSSCGKSA-N -1 1 403.435 3.620 20 5 HHBDMM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000470378505 988339903 /nfs/dbraw/zinc/33/99/03/988339903.db2.gz BHVIUHFZWPUNPB-UHFFFAOYSA-N -1 1 424.394 3.883 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c2ncccc12 ZINC000464422237 988593623 /nfs/dbraw/zinc/59/36/23/988593623.db2.gz YJQQYNWOWMXPPI-UHFFFAOYSA-N -1 1 419.369 3.758 20 5 HHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH]n1 ZINC000471507305 989705602 /nfs/dbraw/zinc/70/56/02/989705602.db2.gz KMNPKMMKFZXDLE-VIFPVBQESA-N -1 1 417.285 3.785 20 5 HHBDMM CO[C@H](CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(C)(C)C ZINC000467006194 992314809 /nfs/dbraw/zinc/31/48/09/992314809.db2.gz SEOIRQLAXXDNMO-GOSISDBHSA-N -1 1 407.492 3.869 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1C ZINC000467078063 992384025 /nfs/dbraw/zinc/38/40/25/992384025.db2.gz FINWHKMSKUMJIX-UHFFFAOYSA-N -1 1 422.503 3.820 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1C ZINC000481609941 994464684 /nfs/dbraw/zinc/46/46/84/994464684.db2.gz NZECNTJNKLRPPL-QGZVFWFLSA-N -1 1 416.459 3.740 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1C ZINC000481618220 994479357 /nfs/dbraw/zinc/47/93/57/994479357.db2.gz CTBVANJUWYKBKF-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1)C1CC1 ZINC000481956695 994840440 /nfs/dbraw/zinc/84/04/40/994840440.db2.gz LXMBFWUOCZYWDA-UHFFFAOYSA-N -1 1 417.487 3.523 20 5 HHBDMM Cc1ccnc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1[N+](=O)[O-] ZINC000474780909 995707097 /nfs/dbraw/zinc/70/70/97/995707097.db2.gz OPCUIELCMFBPDR-UHFFFAOYSA-N -1 1 416.434 3.850 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@H]3C(C)C)cc2)cc1[N+](=O)[O-] ZINC000475320637 996068301 /nfs/dbraw/zinc/06/83/01/996068301.db2.gz VBXABZVTYYFJPG-ZWKOTPCHSA-N -1 1 417.487 3.935 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(-c3cc(C)cc(C)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000488313722 999436000 /nfs/dbraw/zinc/43/60/00/999436000.db2.gz XDLLFULLEAOEBE-UHFFFAOYSA-N -1 1 420.422 3.550 20 5 HHBDMM CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000479982380 999673429 /nfs/dbraw/zinc/67/34/29/999673429.db2.gz CDWZIFPIIGWKMF-UHFFFAOYSA-N -1 1 415.475 3.533 20 5 HHBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000480686632 999859170 /nfs/dbraw/zinc/85/91/70/999859170.db2.gz DLOSXYINCQOQLK-GOSISDBHSA-N -1 1 416.455 3.881 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-] ZINC000491582729 1000085809 /nfs/dbraw/zinc/08/58/09/1000085809.db2.gz BMTMIYLRHKKKMD-KRWDZBQOSA-N -1 1 406.460 3.570 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1[N+](=O)[O-] ZINC000491603402 1000088949 /nfs/dbraw/zinc/08/89/49/1000088949.db2.gz CFMHVRQZMYYMTL-UHFFFAOYSA-N -1 1 413.455 3.986 20 5 HHBDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1)C(C)C ZINC000491682465 1000092356 /nfs/dbraw/zinc/09/23/56/1000092356.db2.gz YMPYAUQMPJLVAT-UHFFFAOYSA-N -1 1 419.503 3.769 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000493541321 1000178638 /nfs/dbraw/zinc/17/86/38/1000178638.db2.gz FKBOLSOISYQKSV-AWEZNQCLSA-N -1 1 414.377 3.532 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000500044217 1003377127 /nfs/dbraw/zinc/37/71/27/1003377127.db2.gz QALUMJSVKILKJA-FZKQIMNGSA-N -1 1 417.487 3.622 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC1CCSCC1 ZINC000500421300 1003706797 /nfs/dbraw/zinc/70/67/97/1003706797.db2.gz GKFNDBLJWUFZRJ-UHFFFAOYSA-N -1 1 407.517 3.951 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000509393419 1003824293 /nfs/dbraw/zinc/82/42/93/1003824293.db2.gz ZAAIRJUHTQSDIO-UHFFFAOYSA-N -1 1 417.365 3.595 20 5 HHBDMM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000512215656 1004116986 /nfs/dbraw/zinc/11/69/86/1004116986.db2.gz VIGRVVYEBMVGOP-UHFFFAOYSA-N -1 1 419.322 3.675 20 5 HHBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510411834 1004547423 /nfs/dbraw/zinc/54/74/23/1004547423.db2.gz KKGVOIXQULCFNL-CYBMUJFWSA-N -1 1 414.867 3.695 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000512991343 1004748151 /nfs/dbraw/zinc/74/81/51/1004748151.db2.gz JPNNEQRWAXQYNC-CZUORRHYSA-N -1 1 410.879 3.694 20 5 HHBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000511672516 1005270472 /nfs/dbraw/zinc/27/04/72/1005270472.db2.gz CWADCRTUWJVVJN-UHFFFAOYSA-N -1 1 401.400 3.549 20 5 HHBDMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000534402011 1006377753 /nfs/dbraw/zinc/37/77/53/1006377753.db2.gz FSRXBPSBTMUESO-UHFFFAOYSA-N -1 1 424.500 3.668 20 5 HHBDMM C[C@H]1C[C@@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000538927161 1007212196 /nfs/dbraw/zinc/21/21/96/1007212196.db2.gz IYZFEDXGHAXKJE-GJZGRUSLSA-N -1 1 405.476 3.623 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(OCC(F)(F)F)c1 ZINC000518658328 1008382271 /nfs/dbraw/zinc/38/22/71/1008382271.db2.gz YCOYCPIMEBQICJ-UHFFFAOYSA-N -1 1 424.784 3.668 20 5 HHBDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000545927946 1009001928 /nfs/dbraw/zinc/00/19/28/1009001928.db2.gz RCOMUGOYZCGWBP-UHFFFAOYSA-N -1 1 412.851 3.761 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000544640510 1010265700 /nfs/dbraw/zinc/26/57/00/1010265700.db2.gz ZUQGIAWHFANINU-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000551116365 1010380174 /nfs/dbraw/zinc/38/01/74/1010380174.db2.gz XXLJRGBNNUVRHY-UHFFFAOYSA-N -1 1 417.487 3.585 20 5 HHBDMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000548200865 1010560059 /nfs/dbraw/zinc/56/00/59/1010560059.db2.gz STNNUACSNYYUSS-UHFFFAOYSA-N -1 1 402.787 3.503 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc([N+](=O)[O-])c1C ZINC000522511997 1011056733 /nfs/dbraw/zinc/05/67/33/1011056733.db2.gz ADUSFJYBFYQVBF-UHFFFAOYSA-N -1 1 412.851 3.843 20 5 HHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(CCc2ccccc2)ccn1 ZINC000540696630 1011349030 /nfs/dbraw/zinc/34/90/30/1011349030.db2.gz KYXKRPSZLTYMLU-UHFFFAOYSA-N -1 1 411.483 3.759 20 5 HHBDMM CCOc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])cc1 ZINC001212082902 1072069013 /nfs/dbraw/zinc/06/90/13/1072069013.db2.gz RQFNXLUCLVEDKX-ZDUSSCGKSA-N -1 1 410.467 3.598 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1[N+](=O)[O-] ZINC000488236682 1072152465 /nfs/dbraw/zinc/15/24/65/1072152465.db2.gz XRZMVCOANCJMEO-UHFFFAOYSA-N -1 1 407.379 3.507 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)c1[N+](=O)[O-] ZINC000479123757 1072761674 /nfs/dbraw/zinc/76/16/74/1072761674.db2.gz BENMEDLSJUHTSX-UHFFFAOYSA-N -1 1 414.365 3.908 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c(Br)c1 ZINC000590597481 1073933815 /nfs/dbraw/zinc/93/38/15/1073933815.db2.gz FCJFBTCUOBOBDI-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001649004868 1074066144 /nfs/dbraw/zinc/06/61/44/1074066144.db2.gz CENUMDJIKPMXSK-ZDUSSCGKSA-N -1 1 421.375 3.716 20 5 HHBDMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000591661109 1074460196 /nfs/dbraw/zinc/46/01/96/1074460196.db2.gz JAQJXFCXADDJGI-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1ncsc1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301195305 970801054 /nfs/dbraw/zinc/80/10/54/970801054.db2.gz NBSXCXGVMDKKJM-UHFFFAOYSA-N -1 1 404.473 3.773 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Sc3ncc[nH]3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301483777 970951955 /nfs/dbraw/zinc/95/19/55/970951955.db2.gz ZWXQVFKNQLVPCH-UHFFFAOYSA-N -1 1 404.473 3.887 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CCO[C@H](C2CC2)C1 ZINC000302187443 971202175 /nfs/dbraw/zinc/20/21/75/971202175.db2.gz WFIRPVGSFJUVFX-JXFKEZNVSA-N -1 1 417.487 3.765 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000303155347 971531743 /nfs/dbraw/zinc/53/17/43/971531743.db2.gz GRWLIMQNKFJYEI-MRXNPFEDSA-N -1 1 411.277 3.787 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000303215665 971564710 /nfs/dbraw/zinc/56/47/10/971564710.db2.gz SZDQCRIXFTWBMW-UHFFFAOYSA-N -1 1 423.647 3.628 20 5 HHBDMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1csc([N+](=O)[O-])c1 ZINC000058143919 965637280 /nfs/dbraw/zinc/63/72/80/965637280.db2.gz UXVYIXKATXBTDU-UHFFFAOYSA-N -1 1 403.441 3.709 20 5 HHBDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000055595490 965949842 /nfs/dbraw/zinc/94/98/42/965949842.db2.gz WJYSRBLDEJTRDL-UHFFFAOYSA-N -1 1 403.460 3.669 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nc(N3CCCC3)sc2c1 ZINC000031556036 966051050 /nfs/dbraw/zinc/05/10/50/966051050.db2.gz HVFRCVYMPYQESO-UHFFFAOYSA-N -1 1 418.500 3.914 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000031721543 966096442 /nfs/dbraw/zinc/09/64/42/966096442.db2.gz FLEMBQQHFIDPBM-UHFFFAOYSA-N -1 1 400.840 3.845 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c(Cl)c1 ZINC000046015586 967635945 /nfs/dbraw/zinc/63/59/45/967635945.db2.gz CVBRBFMYVQVRKC-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591980 967871899 /nfs/dbraw/zinc/87/18/99/967871899.db2.gz JYUSGQMWWATJKH-UHFFFAOYSA-N -1 1 401.400 3.549 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OCc3ccccc3)cc2)s1 ZINC000066000610 968764517 /nfs/dbraw/zinc/76/45/17/968764517.db2.gz BGQYQAOBQQDALS-UHFFFAOYSA-N -1 1 404.469 3.714 20 5 HHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccnc(N2CCCCCC2)c1 ZINC000216991149 970082040 /nfs/dbraw/zinc/08/20/40/970082040.db2.gz SKBYKGGONQKJGC-UHFFFAOYSA-N -1 1 424.910 3.502 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Br)s1 ZINC000146715297 970307117 /nfs/dbraw/zinc/30/71/17/970307117.db2.gz IMJJLYPRHDTGOJ-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC ZINC000146809444 970309422 /nfs/dbraw/zinc/30/94/22/970309422.db2.gz RDZKWPULVLPGNV-LLVKDONJSA-N -1 1 414.867 3.613 20 5 HHBDMM COc1cccc(Cc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)c1 ZINC000410300766 973837365 /nfs/dbraw/zinc/83/73/65/973837365.db2.gz DTUQGIWXIPQNHN-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM COc1ccc(Br)cc1[C@H](NCc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000426737671 974625012 /nfs/dbraw/zinc/62/50/12/974625012.db2.gz PAZHJEKBEGHMHK-INIZCTEOSA-N -1 1 409.236 3.590 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(C)CCC3)cc2)cc1[N+](=O)[O-] ZINC000427201563 974974943 /nfs/dbraw/zinc/97/49/43/974974943.db2.gz BCQKICIGTLBYKN-UHFFFAOYSA-N -1 1 417.487 3.624 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(Br)c1 ZINC000431164729 978065284 /nfs/dbraw/zinc/06/52/84/978065284.db2.gz ZDWVLMGQXLBSBW-UHFFFAOYSA-N -1 1 411.155 3.575 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000432491567 978845786 /nfs/dbraw/zinc/84/57/86/978845786.db2.gz WHUNLUSKPLLBQP-UHFFFAOYSA-N -1 1 400.416 3.631 20 5 HHBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)n1 ZINC000432928077 979013937 /nfs/dbraw/zinc/01/39/37/979013937.db2.gz KWTHBNXEXIKJQU-UHFFFAOYSA-N -1 1 418.413 3.717 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2)cc1[N+](=O)[O-] ZINC000434216219 979986517 /nfs/dbraw/zinc/98/65/17/979986517.db2.gz ZXSQXXBPPYSFBX-ROUUACIJSA-N -1 1 415.471 3.689 20 5 HHBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000460719119 982475244 /nfs/dbraw/zinc/47/52/44/982475244.db2.gz ZRMWNFJSLNCIMO-UHFFFAOYSA-N -1 1 411.439 3.577 20 5 HHBDMM Cc1nc(-c2ccc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)nc2)[n-]c(=O)c1C ZINC000462945301 985887409 /nfs/dbraw/zinc/88/74/09/985887409.db2.gz RPHVCYFFHQAVLB-UHFFFAOYSA-N -1 1 421.457 3.817 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(S[C@@H](C)[C@@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000463015732 985971299 /nfs/dbraw/zinc/97/12/99/985971299.db2.gz WOJFUWSTPKPFQH-KGLIPLIRSA-N -1 1 410.517 3.874 20 5 HHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000463440017 986418147 /nfs/dbraw/zinc/41/81/47/986418147.db2.gz MOVFTXWTFDXQSN-UHFFFAOYSA-N -1 1 404.366 3.954 20 5 HHBDMM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444963319 987096963 /nfs/dbraw/zinc/09/69/63/987096963.db2.gz GNTSCRSDRDCNBP-VFNWGFHPSA-N -1 1 403.438 3.914 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000445006823 987138030 /nfs/dbraw/zinc/13/80/30/987138030.db2.gz VRMXMYCCWRTNPK-GFCCVEGCSA-N -1 1 412.229 3.686 20 5 HHBDMM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445132950 987232480 /nfs/dbraw/zinc/23/24/80/987232480.db2.gz HJKCCPKEVSEULC-LLVKDONJSA-N -1 1 409.242 3.748 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H](CCO)c1ccco1 ZINC000469563554 987233478 /nfs/dbraw/zinc/23/34/78/987233478.db2.gz KCMZZYJDUHZDCF-KRWDZBQOSA-N -1 1 417.443 3.524 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000445209827 987278631 /nfs/dbraw/zinc/27/86/31/987278631.db2.gz HELKFGAHFDRYPW-CYBMUJFWSA-N -1 1 410.199 3.574 20 5 HHBDMM COc1cccc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c1[N+](=O)[O-] ZINC000445212732 987280658 /nfs/dbraw/zinc/28/06/58/987280658.db2.gz MQPKWDOPBXYVPR-UHFFFAOYSA-N -1 1 408.201 3.948 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)no2)[n-]1 ZINC000445812141 987873313 /nfs/dbraw/zinc/87/33/13/987873313.db2.gz UWQRPZJEWONHLQ-UHFFFAOYSA-N -1 1 423.229 3.995 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000471131563 989240274 /nfs/dbraw/zinc/24/02/74/989240274.db2.gz RGJUHRACEPPPSQ-UHFFFAOYSA-N -1 1 424.740 3.766 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] ZINC000466963597 992274436 /nfs/dbraw/zinc/27/44/36/992274436.db2.gz FDZORUMFTXIAFF-UHFFFAOYSA-N -1 1 404.853 3.580 20 5 HHBDMM CC(C)C[C@@H](CCO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000467011478 992319596 /nfs/dbraw/zinc/31/95/96/992319596.db2.gz YCVCSSASXKGMOV-MRXNPFEDSA-N -1 1 421.519 3.852 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000467075479 992381764 /nfs/dbraw/zinc/38/17/64/992381764.db2.gz PSSULNCDPKTIMQ-UHFFFAOYSA-N -1 1 422.503 3.874 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000467428509 992728193 /nfs/dbraw/zinc/72/81/93/992728193.db2.gz HWYKCRKCGJYUQB-UHFFFAOYSA-N -1 1 402.432 3.548 20 5 HHBDMM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])co2)cc1 ZINC000481018451 993862185 /nfs/dbraw/zinc/86/21/85/993862185.db2.gz XAQPSOLNMWNZFG-UHFFFAOYSA-N -1 1 401.444 3.654 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(Br)c1 ZINC000481608139 994461373 /nfs/dbraw/zinc/46/13/73/994461373.db2.gz LDHVXADIMVCBDR-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000482606040 995604189 /nfs/dbraw/zinc/60/41/89/995604189.db2.gz QRDHJHNYXSBZRY-UHFFFAOYSA-N -1 1 417.219 3.809 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484112306 996577281 /nfs/dbraw/zinc/57/72/81/996577281.db2.gz SRJKXMXYMFAZEZ-UHFFFAOYSA-N -1 1 409.427 3.642 20 5 HHBDMM O=C(Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000484196380 996629570 /nfs/dbraw/zinc/62/95/70/996629570.db2.gz QMQYZJHHYOUEEZ-UHFFFAOYSA-N -1 1 416.796 3.898 20 5 HHBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000484244696 996655411 /nfs/dbraw/zinc/65/54/11/996655411.db2.gz NCVOGXIYHJGUJS-CYBMUJFWSA-N -1 1 421.413 3.830 20 5 HHBDMM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000479186565 999316586 /nfs/dbraw/zinc/31/65/86/999316586.db2.gz LGXUCUKYZGSKJU-UHFFFAOYSA-N -1 1 424.740 3.766 20 5 HHBDMM Cc1ccc([C@H](C)NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1[N+](=O)[O-] ZINC000488063895 999364126 /nfs/dbraw/zinc/36/41/26/999364126.db2.gz KOWZXJSOYKJJHJ-AWEZNQCLSA-N -1 1 421.457 3.579 20 5 HHBDMM Cc1ccc([C@@H](C)NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)cc1[N+](=O)[O-] ZINC000488063898 999364139 /nfs/dbraw/zinc/36/41/39/999364139.db2.gz KOWZXJSOYKJJHJ-CQSZACIVSA-N -1 1 421.457 3.579 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1[N+](=O)[O-] ZINC000488313261 999435453 /nfs/dbraw/zinc/43/54/53/999435453.db2.gz WWERMXAYKZDGMG-UHFFFAOYSA-N -1 1 419.390 3.731 20 5 HHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cc1OC ZINC000490240342 999919182 /nfs/dbraw/zinc/91/91/82/999919182.db2.gz ILQNGUJXVGPVPL-SREVYHEPSA-N -1 1 416.415 3.869 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000491584709 1000086133 /nfs/dbraw/zinc/08/61/33/1000086133.db2.gz WRRYPTWWQBBQFH-UHFFFAOYSA-N -1 1 422.503 3.874 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)cc1[N+](=O)[O-] ZINC000491593158 1000087223 /nfs/dbraw/zinc/08/72/23/1000087223.db2.gz CFQYXLCKCHYPJU-UHFFFAOYSA-N -1 1 422.503 3.954 20 5 HHBDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)c2)n1 ZINC000491597342 1000087784 /nfs/dbraw/zinc/08/77/84/1000087784.db2.gz UHASGMKBLDCFEM-UHFFFAOYSA-N -1 1 416.459 3.933 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)cc1[N+](=O)[O-] ZINC000491720254 1000093117 /nfs/dbraw/zinc/09/31/17/1000093117.db2.gz MPQFQLYQTRFXRJ-UHFFFAOYSA-N -1 1 423.454 3.951 20 5 HHBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000497824717 1001526400 /nfs/dbraw/zinc/52/64/00/1001526400.db2.gz PWAFTKCUTRKXGI-ZDUSSCGKSA-N -1 1 421.413 3.830 20 5 HHBDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(Cl)c1 ZINC000508087833 1002610423 /nfs/dbraw/zinc/61/04/23/1002610423.db2.gz HSGLUYMSMLEGDF-UHFFFAOYSA-N -1 1 412.851 3.761 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000500044218 1003376188 /nfs/dbraw/zinc/37/61/88/1003376188.db2.gz QALUMJSVKILKJA-SCLBCKFNSA-N -1 1 417.487 3.622 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)c1C ZINC000500289568 1003601943 /nfs/dbraw/zinc/60/19/43/1003601943.db2.gz RDOLOQAUIHOREW-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc2ccccc2s1 ZINC000500473977 1003736813 /nfs/dbraw/zinc/73/68/13/1003736813.db2.gz FXLZLJIWYFUNKH-NSHDSACASA-N -1 1 420.468 3.620 20 5 HHBDMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000509559659 1003945384 /nfs/dbraw/zinc/94/53/84/1003945384.db2.gz UEQHXZLCZVEYSQ-UHFFFAOYSA-N -1 1 416.484 3.954 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000501154436 1004239994 /nfs/dbraw/zinc/23/99/94/1004239994.db2.gz HNADLHYALRCCGC-QMMMGPOBSA-N -1 1 421.219 3.675 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000512984247 1004744523 /nfs/dbraw/zinc/74/45/23/1004744523.db2.gz CFBQCMOVGPFEHJ-BBRMVZONSA-N -1 1 410.879 3.694 20 5 HHBDMM Cc1ccc(F)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1C(=O)[O-] ZINC000534147521 1006126858 /nfs/dbraw/zinc/12/68/58/1006126858.db2.gz IOZAKIHPWUZBEV-UHFFFAOYSA-N -1 1 423.205 3.848 20 5 HHBDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])cc2[nH]1 ZINC000531433713 1006193687 /nfs/dbraw/zinc/19/36/87/1006193687.db2.gz KKDBSNFTIFMKKK-UHFFFAOYSA-N -1 1 404.448 3.623 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000534289618 1006283809 /nfs/dbraw/zinc/28/38/09/1006283809.db2.gz RNJUQLHUQNMMTG-UHFFFAOYSA-N -1 1 419.459 3.838 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000534997368 1007057786 /nfs/dbraw/zinc/05/77/86/1007057786.db2.gz LYHWMNAPPHTKJW-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000535070247 1007090704 /nfs/dbraw/zinc/09/07/04/1007090704.db2.gz OEMISDOGYALMLB-GXTWGEPZSA-N -1 1 415.393 3.623 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCSc1ccc(Cl)cc1 ZINC000516787751 1007288179 /nfs/dbraw/zinc/28/81/79/1007288179.db2.gz LTXWRQUYFZKRPP-UHFFFAOYSA-N -1 1 407.300 3.972 20 5 HHBDMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000533690350 1008014689 /nfs/dbraw/zinc/01/46/89/1008014689.db2.gz TUEMVUDXZILWGS-UHFFFAOYSA-N -1 1 424.500 3.668 20 5 HHBDMM COc1ccc2cc(C[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2c1 ZINC000517912497 1008053272 /nfs/dbraw/zinc/05/32/72/1008053272.db2.gz OCEWIFWOIVERFS-UHFFFAOYSA-N -1 1 406.847 3.889 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000543170989 1008745870 /nfs/dbraw/zinc/74/58/70/1008745870.db2.gz QDESQRHMZKARLV-CQSZACIVSA-N -1 1 410.320 3.763 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)c(F)c1 ZINC000549993441 1009593016 /nfs/dbraw/zinc/59/30/16/1009593016.db2.gz GTBCYBCKQUJTPE-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000521280025 1010274913 /nfs/dbraw/zinc/27/49/13/1010274913.db2.gz LJMRLZXGMAPSEM-UHFFFAOYSA-N -1 1 423.191 3.760 20 5 HHBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1[N+](=O)[O-] ZINC000551115002 1010379020 /nfs/dbraw/zinc/37/90/20/1010379020.db2.gz SKSHFKZNXDTSBR-UHFFFAOYSA-N -1 1 417.487 3.923 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537439066 1012928349 /nfs/dbraw/zinc/92/83/49/1012928349.db2.gz FPZYTRWFOBQARP-ZIAGYGMSSA-N -1 1 415.393 3.623 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1[N+](=O)[O-] ZINC000488213013 1072128281 /nfs/dbraw/zinc/12/82/81/1072128281.db2.gz BLJMABNLXAWWGQ-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000488247040 1072162943 /nfs/dbraw/zinc/16/29/43/1072162943.db2.gz AJCYCJZERJGABB-UHFFFAOYSA-N -1 1 408.329 3.871 20 5 HHBDMM C[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000301480563 970950115 /nfs/dbraw/zinc/95/01/15/970950115.db2.gz WEVZNOYEBPYAQL-OKILXGFUSA-N -1 1 407.517 3.726 20 5 HHBDMM C[C@@H]1CC(Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301975646 971138943 /nfs/dbraw/zinc/13/89/43/971138943.db2.gz VWWCVCROPHZSGM-ZIAGYGMSSA-N -1 1 405.476 3.764 20 5 HHBDMM O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303190352 971550994 /nfs/dbraw/zinc/55/09/94/971550994.db2.gz FMABKTRMELQQHQ-CQSZACIVSA-N -1 1 414.418 3.765 20 5 HHBDMM O=C(Nc1nc(Cc2ccccc2Br)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000542372935 1013327268 /nfs/dbraw/zinc/32/72/68/1013327268.db2.gz OPSPKWGIKLPUJF-UHFFFAOYSA-N -1 1 407.249 3.985 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)c1C ZINC000024427915 963998766 /nfs/dbraw/zinc/99/87/66/963998766.db2.gz BAFZQBZMMABSEN-UHFFFAOYSA-N -1 1 406.464 3.542 20 5 HHBDMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000056249124 966274037 /nfs/dbraw/zinc/27/40/37/966274037.db2.gz KKLMFEXZCBXVAU-UHFFFAOYSA-N -1 1 404.791 3.748 20 5 HHBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064907135 967325173 /nfs/dbraw/zinc/32/51/73/967325173.db2.gz NUDXCFHNNMOUPH-UHFFFAOYSA-N -1 1 401.351 3.841 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)cc1[N+](=O)[O-] ZINC000065223569 967410951 /nfs/dbraw/zinc/41/09/51/967410951.db2.gz UIQJNFUUIPCQDI-UHFFFAOYSA-N -1 1 417.487 3.685 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCOc2ccc(F)cc21 ZINC000146984829 970314873 /nfs/dbraw/zinc/31/48/73/970314873.db2.gz KLVGNJYRZGSNLJ-ZDUSSCGKSA-N -1 1 400.815 3.580 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1[N+](=O)[O-] ZINC000323593989 972712717 /nfs/dbraw/zinc/71/27/17/972712717.db2.gz OJXUXJJHRWKZNM-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC000327324336 972757017 /nfs/dbraw/zinc/75/70/17/972757017.db2.gz CZHGTPAOWGIJRP-UHFFFAOYSA-N -1 1 405.215 3.709 20 5 HHBDMM COc1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000427601028 975207843 /nfs/dbraw/zinc/20/78/43/975207843.db2.gz WTUPJPPOMNGRNT-UHFFFAOYSA-N -1 1 404.728 3.911 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000427807285 975300303 /nfs/dbraw/zinc/30/03/03/975300303.db2.gz MDZKLDPPOOPEAH-RDJZCZTQSA-N -1 1 410.879 3.664 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000432306232 978754485 /nfs/dbraw/zinc/75/44/85/978754485.db2.gz LHJAORALGBETRX-LBPRGKRZSA-N -1 1 408.423 3.979 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1[N+](=O)[O-] ZINC000432490592 978845070 /nfs/dbraw/zinc/84/50/70/978845070.db2.gz POWCMUGJMRTESZ-UHFFFAOYSA-N -1 1 400.416 3.631 20 5 HHBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1Cl ZINC000432771285 978969526 /nfs/dbraw/zinc/96/95/26/978969526.db2.gz VXJRQCSCMJUNRN-UHFFFAOYSA-N -1 1 422.850 3.756 20 5 HHBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000432962551 979025942 /nfs/dbraw/zinc/02/59/42/979025942.db2.gz XCJWHQOQFXFSBN-UHFFFAOYSA-N -1 1 408.476 3.982 20 5 HHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)[nH]n2)c1 ZINC000434976831 980544652 /nfs/dbraw/zinc/54/46/52/980544652.db2.gz NDYWPABOFHZJOS-UHFFFAOYSA-N -1 1 423.248 3.548 20 5 HHBDMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000436253646 981270988 /nfs/dbraw/zinc/27/09/88/981270988.db2.gz PVDKKQZAHVPORP-UHFFFAOYSA-N -1 1 414.365 3.717 20 5 HHBDMM COc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3OC)n2)cc(Br)c1[O-] ZINC000436869554 981597655 /nfs/dbraw/zinc/59/76/55/981597655.db2.gz BEVFCFGUPSXTHK-UHFFFAOYSA-N -1 1 422.191 3.797 20 5 HHBDMM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])n3C)n2)cc(Br)c1[O-] ZINC000436893545 981603799 /nfs/dbraw/zinc/60/37/99/981603799.db2.gz PSNIGZLRAHEQGT-UHFFFAOYSA-N -1 1 409.196 3.517 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436893101 981603898 /nfs/dbraw/zinc/60/38/98/981603898.db2.gz NQPUZKRGOZNJJB-XIKOKIGWSA-N -1 1 407.829 3.516 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC(F)(F)F)ccc1[O-] ZINC000448550391 981875208 /nfs/dbraw/zinc/87/52/08/981875208.db2.gz VWVFFALQIOAYMY-UHFFFAOYSA-N -1 1 412.729 3.653 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(-c2cccnc2)cc1 ZINC000437694666 982301369 /nfs/dbraw/zinc/30/13/69/982301369.db2.gz NQWUDYMECGYVER-UHFFFAOYSA-N -1 1 403.847 3.789 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000438782092 983067986 /nfs/dbraw/zinc/06/79/86/983067986.db2.gz XJNIJNKFKVBPPE-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM COc1ccc(Sc2nsc([N-]C(=O)c3cc([N+](=O)[O-])ccc3OC)n2)cc1 ZINC000439738465 983520805 /nfs/dbraw/zinc/52/08/05/983520805.db2.gz JLHCKNPNTTUIQW-UHFFFAOYSA-N -1 1 418.456 3.867 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1[N+](=O)[O-] ZINC000442254404 984775114 /nfs/dbraw/zinc/77/51/14/984775114.db2.gz STVJAGJSGFEZAL-RTBURBONSA-N -1 1 420.487 3.695 20 5 HHBDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)c([N+](=O)[O-])c1 ZINC000443468091 985642305 /nfs/dbraw/zinc/64/23/05/985642305.db2.gz NBHJHBKMKYARQF-UHFFFAOYSA-N -1 1 419.242 3.797 20 5 HHBDMM CC(C)(CO)CCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000462868174 985793258 /nfs/dbraw/zinc/79/32/58/985793258.db2.gz PUJIZOHQCIKLAT-UHFFFAOYSA-N -1 1 407.492 3.606 20 5 HHBDMM CCC[C@@H](CCO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000463057121 986015271 /nfs/dbraw/zinc/01/52/71/986015271.db2.gz SGXDTYFFLMVSJN-HNNXBMFYSA-N -1 1 407.492 3.606 20 5 HHBDMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000445698842 987764514 /nfs/dbraw/zinc/76/45/14/987764514.db2.gz FCSZZXBIOWJRAS-SNVBAGLBSA-N -1 1 408.320 3.869 20 5 HHBDMM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)cc([N+](=O)[O-])c1 ZINC000470386430 988346120 /nfs/dbraw/zinc/34/61/20/988346120.db2.gz IBVYFLKDWAXNDF-UHFFFAOYSA-N -1 1 424.394 3.898 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Br ZINC000470442109 988416506 /nfs/dbraw/zinc/41/65/06/988416506.db2.gz JXMQUTITXURNNH-UHFFFAOYSA-N -1 1 401.238 3.557 20 5 HHBDMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000471868339 990040640 /nfs/dbraw/zinc/04/06/40/990040640.db2.gz BYLOHPQEMICCEM-ZDUSSCGKSA-N -1 1 416.459 3.555 20 5 HHBDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000473417263 994269607 /nfs/dbraw/zinc/26/96/07/994269607.db2.gz AVQFHNVGGCLZKC-UHFFFAOYSA-N -1 1 406.851 3.852 20 5 HHBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000484244697 996655538 /nfs/dbraw/zinc/65/55/38/996655538.db2.gz NCVOGXIYHJGUJS-ZDUSSCGKSA-N -1 1 421.413 3.830 20 5 HHBDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 ZINC000477192745 997863870 /nfs/dbraw/zinc/86/38/70/997863870.db2.gz MMZCDFFLPPPVSL-GOSISDBHSA-N -1 1 424.450 3.571 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478566548 999027667 /nfs/dbraw/zinc/02/76/67/999027667.db2.gz QCLZBGHSQXJDRF-UGSOOPFHSA-N -1 1 407.829 3.516 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(S[C@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000487107546 999064427 /nfs/dbraw/zinc/06/44/27/999064427.db2.gz CQLGHBZXBYHDQF-AWEZNQCLSA-N -1 1 408.501 3.893 20 5 HHBDMM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000488882839 999635925 /nfs/dbraw/zinc/63/59/25/999635925.db2.gz DNEDDLROAMWNDJ-UHFFFAOYSA-N -1 1 413.293 3.613 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000479919677 999649019 /nfs/dbraw/zinc/64/90/19/999649019.db2.gz PMNUMEOJBKTBIQ-ZDUSSCGKSA-N -1 1 400.815 3.580 20 5 HHBDMM CSC[C@@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000488947983 999654846 /nfs/dbraw/zinc/65/48/46/999654846.db2.gz YAINYSBNPXGRCT-OAHLLOKOSA-N -1 1 421.544 3.975 20 5 HHBDMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491610220 1000090267 /nfs/dbraw/zinc/09/02/67/1000090267.db2.gz OQQZTIIDARWQMX-UHFFFAOYSA-N -1 1 419.503 3.707 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)cc1[N+](=O)[O-] ZINC000491681761 1000092342 /nfs/dbraw/zinc/09/23/42/1000092342.db2.gz WBFTWXVLZZCFKF-UHFFFAOYSA-N -1 1 417.487 3.557 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1[N+](=O)[O-] ZINC000491831034 1000096212 /nfs/dbraw/zinc/09/62/12/1000096212.db2.gz HGIVFCHAPAQRKS-UHFFFAOYSA-N -1 1 413.459 3.675 20 5 HHBDMM O=C(Nc1ncc(Cc2cccc(Br)c2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000505426118 1000764870 /nfs/dbraw/zinc/76/48/70/1000764870.db2.gz WGBKOGXYSCCCDP-UHFFFAOYSA-N -1 1 407.249 3.985 20 5 HHBDMM Cc1csc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCCC2)n1 ZINC000497395725 1001334337 /nfs/dbraw/zinc/33/43/37/1001334337.db2.gz HJULCPIFSYNKEF-UHFFFAOYSA-N -1 1 401.897 3.761 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000507557130 1002163116 /nfs/dbraw/zinc/16/31/16/1002163116.db2.gz ZBWDGDWYMSINAF-HNNXBMFYSA-N -1 1 409.876 3.773 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1[N+](=O)[O-] ZINC000507586846 1002192135 /nfs/dbraw/zinc/19/21/35/1002192135.db2.gz XNJVKYWBACSPMM-UHFFFAOYSA-N -1 1 404.444 3.756 20 5 HHBDMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000509541866 1003934339 /nfs/dbraw/zinc/93/43/39/1003934339.db2.gz NPANVAFBFYZAKH-UHFFFAOYSA-N -1 1 416.484 3.954 20 5 HHBDMM COc1cccc(Cc2nnc([N-]C(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)c1 ZINC000500978980 1004091702 /nfs/dbraw/zinc/09/17/02/1004091702.db2.gz PMEULWMRGMHDDN-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc21 ZINC000501790001 1004732933 /nfs/dbraw/zinc/73/29/33/1004732933.db2.gz DSOBFCDAPYZZFO-UHFFFAOYSA-N -1 1 423.878 3.657 20 5 HHBDMM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000532037882 1006592753 /nfs/dbraw/zinc/59/27/53/1006592753.db2.gz KGDMSXYYAXCEML-UHFFFAOYSA-N -1 1 420.443 3.631 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(N2CCCCCC2)nc1 ZINC000516343596 1007029986 /nfs/dbraw/zinc/02/99/86/1007029986.db2.gz LPNMRUPNQKLZGR-UHFFFAOYSA-N -1 1 424.910 3.502 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000535030515 1007072779 /nfs/dbraw/zinc/07/27/79/1007072779.db2.gz RGPOYTLXGAHXJN-UHFFFAOYSA-N -1 1 417.487 3.622 20 5 HHBDMM C[C@@H]1C[C@@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCO1 ZINC000538927149 1007212258 /nfs/dbraw/zinc/21/22/58/1007212258.db2.gz IYZFEDXGHAXKJE-CABCVRRESA-N -1 1 405.476 3.623 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000532859979 1007249216 /nfs/dbraw/zinc/24/92/16/1007249216.db2.gz VZSLWPYOACKYFJ-QGZVFWFLSA-N -1 1 420.878 3.533 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(c2nccs2)C3)cc1[N+](=O)[O-] ZINC000535343933 1007398022 /nfs/dbraw/zinc/39/80/22/1007398022.db2.gz GILISJZLRIGPPW-UHFFFAOYSA-N -1 1 416.484 3.681 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1OC(F)(F)F ZINC000517912563 1008053095 /nfs/dbraw/zinc/05/30/95/1008053095.db2.gz VJMLUMAKBFLGBL-UHFFFAOYSA-N -1 1 410.757 3.625 20 5 HHBDMM Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2[N+](=O)[O-])cc1 ZINC000540423037 1008426522 /nfs/dbraw/zinc/42/65/22/1008426522.db2.gz OCJMCMXRYYBNDZ-HNNXBMFYSA-N -1 1 424.486 3.587 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc12 ZINC000543858509 1009425015 /nfs/dbraw/zinc/42/50/15/1009425015.db2.gz UDLHGYGWHGNDQC-UHFFFAOYSA-N -1 1 402.428 3.956 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3C)n[nH]2)c([N+](=O)[O-])c1 ZINC000544076674 1009682373 /nfs/dbraw/zinc/68/23/73/1009682373.db2.gz ZYPSETUDNROWLZ-UHFFFAOYSA-N -1 1 400.460 3.521 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000521414287 1010362095 /nfs/dbraw/zinc/36/20/95/1010362095.db2.gz AMPUZSDTLVSBGC-GOSISDBHSA-N -1 1 406.460 3.516 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)cc1[N+](=O)[O-] ZINC000522597066 1011101110 /nfs/dbraw/zinc/10/11/10/1011101110.db2.gz WBGIHEMQIWRMLC-UHFFFAOYSA-N -1 1 405.457 3.836 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c([N+](=O)[O-])c1 ZINC000536658124 1011806412 /nfs/dbraw/zinc/80/64/12/1011806412.db2.gz NTDNFHFSNARVGS-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])cc1Br ZINC000523488557 1012005993 /nfs/dbraw/zinc/00/59/93/1012005993.db2.gz MXYJFSYUMRCFDO-UHFFFAOYSA-N -1 1 406.221 3.523 20 5 HHBDMM CCOc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)c([N+](=O)[O-])cc1OC ZINC000541515711 1012296044 /nfs/dbraw/zinc/29/60/44/1012296044.db2.gz WJECXCBQKCSLLO-UHFFFAOYSA-N -1 1 417.809 3.693 20 5 HHBDMM COC(=O)c1cc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)cc([N+](=O)[O-])c1 ZINC000537344305 1012806078 /nfs/dbraw/zinc/80/60/78/1012806078.db2.gz XAXOOHABYLPZEG-UHFFFAOYSA-N -1 1 401.762 3.942 20 5 HHBDMM O=[N+]([O-])c1ccccc1CNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000301542044 970972154 /nfs/dbraw/zinc/97/21/54/970972154.db2.gz NRSQOUKHODDHAP-UHFFFAOYSA-N -1 1 420.397 3.681 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000301651046 971015117 /nfs/dbraw/zinc/01/51/17/971015117.db2.gz JUWKNSRVSBENJR-HLIPFELVSA-N -1 1 417.487 3.765 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)C(C)(C)C ZINC000303553293 971849483 /nfs/dbraw/zinc/84/94/83/971849483.db2.gz WFWMUTKFDHVSPH-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000524310819 1013126532 /nfs/dbraw/zinc/12/65/32/1013126532.db2.gz IUEYFCYLAWQEMB-UHFFFAOYSA-N -1 1 404.791 3.748 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)c1C ZINC000012647435 962307204 /nfs/dbraw/zinc/30/72/04/962307204.db2.gz GRCYEMBUVDRYBI-UHFFFAOYSA-N -1 1 418.500 3.897 20 5 HHBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015390314 962744457 /nfs/dbraw/zinc/74/44/57/962744457.db2.gz ZFNOOZFXIQNNDT-UHFFFAOYSA-N -1 1 415.402 3.787 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3nccc3C(F)(F)F)cc2)cc1 ZINC000057122235 965294613 /nfs/dbraw/zinc/29/46/13/965294613.db2.gz MFQCJOBPLHJTDV-UHFFFAOYSA-N -1 1 412.349 3.600 20 5 HHBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000058142579 965637402 /nfs/dbraw/zinc/63/74/02/965637402.db2.gz GHLXBIGTTGEZQM-UHFFFAOYSA-N -1 1 411.439 3.577 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1 ZINC000036798320 966455981 /nfs/dbraw/zinc/45/59/81/966455981.db2.gz UAMULBPWSVSXLZ-UHFFFAOYSA-N -1 1 404.473 3.589 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4ccc([N+](=O)[O-])o4)nc3c2)cc1 ZINC000215730401 970052480 /nfs/dbraw/zinc/05/24/80/970052480.db2.gz GVUHJBDFFLAGNN-UHFFFAOYSA-N -1 1 414.399 3.541 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000146248491 970284680 /nfs/dbraw/zinc/28/46/80/970284680.db2.gz NXWIDTXCTPCQHS-WMLDXEAASA-N -1 1 410.879 3.694 20 5 HHBDMM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000325362578 972731638 /nfs/dbraw/zinc/73/16/38/972731638.db2.gz PVUKHXOWXKLVDQ-UHFFFAOYSA-N -1 1 415.265 3.729 20 5 HHBDMM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000426829279 974694870 /nfs/dbraw/zinc/69/48/70/974694870.db2.gz ONFJLIMKCDKLGQ-CQSZACIVSA-N -1 1 409.236 3.672 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c(Br)c1 ZINC000431625289 978393931 /nfs/dbraw/zinc/39/39/31/978393931.db2.gz YWZVBSZPMVEZLL-ZDUSSCGKSA-N -1 1 421.219 3.642 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c(Br)c1 ZINC000431625288 978394281 /nfs/dbraw/zinc/39/42/81/978394281.db2.gz YWZVBSZPMVEZLL-CYBMUJFWSA-N -1 1 421.219 3.642 20 5 HHBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc4ncccc4c3[N+](=O)[O-])c2)n1 ZINC000432932088 979015077 /nfs/dbraw/zinc/01/50/77/979015077.db2.gz GCWFBZRZCQANCI-UHFFFAOYSA-N -1 1 418.413 3.717 20 5 HHBDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000434977107 980544683 /nfs/dbraw/zinc/54/46/83/980544683.db2.gz OVFMHFRXKKOCLL-UHFFFAOYSA-N -1 1 414.443 3.624 20 5 HHBDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000436501639 981404687 /nfs/dbraw/zinc/40/46/87/981404687.db2.gz DSZMAJFTRLQULT-ZDUSSCGKSA-N -1 1 413.430 3.576 20 5 HHBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000436504068 981406332 /nfs/dbraw/zinc/40/63/32/981406332.db2.gz IQMHBVXLTLRQEQ-UHFFFAOYSA-N -1 1 406.369 3.565 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436729994 981535402 /nfs/dbraw/zinc/53/54/02/981535402.db2.gz DCJLCKLZIWZGTM-PXAZEXFGSA-N -1 1 407.829 3.516 20 5 HHBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436883399 981600726 /nfs/dbraw/zinc/60/07/26/981600726.db2.gz FLNMTXMZQVLZEX-UHFFFAOYSA-N -1 1 423.391 3.667 20 5 HHBDMM CCOc1cc(N2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)ccc1[N+](=O)[O-] ZINC000436885872 981601376 /nfs/dbraw/zinc/60/13/76/981601376.db2.gz FNTGGUWJCJFBLK-UHFFFAOYSA-N -1 1 421.453 3.815 20 5 HHBDMM COc1ccc(Sc2nsc([N-]C(=O)c3cc([N+](=O)[O-])cnc3C)n2)cc1 ZINC000439760093 983527622 /nfs/dbraw/zinc/52/76/22/983527622.db2.gz MZHWGICDBYTRQT-UHFFFAOYSA-N -1 1 403.445 3.562 20 5 HHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440127744 983653350 /nfs/dbraw/zinc/65/33/50/983653350.db2.gz HTMUBOZIRXGPGL-GFCCVEGCSA-N -1 1 412.229 3.686 20 5 HHBDMM CC1(c2ccc(Br)cc2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000442974734 985311466 /nfs/dbraw/zinc/31/14/66/985311466.db2.gz RWEDDOGYAJDYQL-UHFFFAOYSA-N -1 1 420.263 3.652 20 5 HHBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462414587 985388246 /nfs/dbraw/zinc/38/82/46/985388246.db2.gz DOWQGABMMQOVHJ-AWEZNQCLSA-N -1 1 405.259 3.568 20 5 HHBDMM CC1(c2cccc(Br)c2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445133387 987232320 /nfs/dbraw/zinc/23/23/20/987232320.db2.gz HDRJRAVDVXJVOH-UHFFFAOYSA-N -1 1 420.263 3.652 20 5 HHBDMM O=C(N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445154671 987245147 /nfs/dbraw/zinc/24/51/47/987245147.db2.gz ANUOBRYHJPGBLW-LLVKDONJSA-N -1 1 409.242 3.748 20 5 HHBDMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000471870433 990042392 /nfs/dbraw/zinc/04/23/92/990042392.db2.gz JJNXVCPZMRMKBP-CYBMUJFWSA-N -1 1 416.459 3.555 20 5 HHBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466972845 992284665 /nfs/dbraw/zinc/28/46/65/992284665.db2.gz AUDBNBTWUZBCEM-UHFFFAOYSA-N -1 1 403.869 3.767 20 5 HHBDMM COc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc([N+](=O)[O-])c1OC ZINC000482611905 995609202 /nfs/dbraw/zinc/60/92/02/995609202.db2.gz ZBOOXOYGACGJTI-UHFFFAOYSA-N -1 1 411.208 3.641 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000484129525 996586609 /nfs/dbraw/zinc/58/66/09/996586609.db2.gz HVXZPXXPHWBCOJ-UHFFFAOYSA-N -1 1 409.427 3.642 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000484620252 996954159 /nfs/dbraw/zinc/95/41/59/996954159.db2.gz NRXLLWOLZVIEGE-OALUTQOASA-N -1 1 420.487 3.695 20 5 HHBDMM CC(C)(C)OC(=O)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000485188551 997567261 /nfs/dbraw/zinc/56/72/61/997567261.db2.gz OLYSOBRCAHLXEY-UHFFFAOYSA-N -1 1 421.475 3.539 20 5 HHBDMM COCc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000485398750 997827650 /nfs/dbraw/zinc/82/76/50/997827650.db2.gz MCWQSMVBBOVIQL-UHFFFAOYSA-N -1 1 415.265 3.613 20 5 HHBDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(F)cc1 ZINC000477192748 997863899 /nfs/dbraw/zinc/86/38/99/997863899.db2.gz MMZCDFFLPPPVSL-SFHVURJKSA-N -1 1 424.450 3.571 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)c(Br)c1 ZINC000487300872 999128515 /nfs/dbraw/zinc/12/85/15/999128515.db2.gz RHSZRPOWUPSXIF-UHFFFAOYSA-N -1 1 415.265 3.729 20 5 HHBDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491585056 1000086180 /nfs/dbraw/zinc/08/61/80/1000086180.db2.gz ZTLHEDZDJPQUPH-UHFFFAOYSA-N -1 1 414.443 3.903 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000491683313 1000092441 /nfs/dbraw/zinc/09/24/41/1000092441.db2.gz ZUMKCYJZQVKOKJ-UHFFFAOYSA-N -1 1 417.487 3.639 20 5 HHBDMM COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)s2)cc1 ZINC000506028487 1001173947 /nfs/dbraw/zinc/17/39/47/1001173947.db2.gz UQCCBZGVWCVMRJ-SNVBAGLBSA-N -1 1 414.443 3.627 20 5 HHBDMM O=[N+]([O-])c1ccc2c(c1)nc(SCc1nn[n-]n1)n2-c1cccc(C(F)(F)F)c1 ZINC000497359891 1001308963 /nfs/dbraw/zinc/30/89/63/1001308963.db2.gz BPICTFFVJKNFHZ-UHFFFAOYSA-N -1 1 421.364 3.758 20 5 HHBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000506488682 1001436672 /nfs/dbraw/zinc/43/66/72/1001436672.db2.gz RWRWISZLOQNPSE-UHFFFAOYSA-N -1 1 423.391 3.667 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509389945 1003819192 /nfs/dbraw/zinc/81/91/92/1003819192.db2.gz VZLIUOHKAMWFKC-UHFFFAOYSA-N -1 1 417.365 3.595 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOc2c(Cl)cccc21 ZINC000511898757 1003875592 /nfs/dbraw/zinc/87/55/92/1003875592.db2.gz ZOKPXRYMVOOJMB-GFCCVEGCSA-N -1 1 403.243 3.704 20 5 HHBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000533360944 1007668978 /nfs/dbraw/zinc/66/89/78/1007668978.db2.gz ZRTYNAUZUYUTFJ-AWEZNQCLSA-N -1 1 403.382 3.684 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000520038246 1009197358 /nfs/dbraw/zinc/19/73/58/1009197358.db2.gz RXABHUOLDRDWOR-UHFFFAOYSA-N -1 1 404.444 4.000 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1[N+](=O)[O-] ZINC000521535241 1010445711 /nfs/dbraw/zinc/44/57/11/1010445711.db2.gz HGGNVYNRPCGOHX-UHFFFAOYSA-N -1 1 420.472 3.913 20 5 HHBDMM O=c1nc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)[nH]c2scc(-c3ccccc3)c21 ZINC000544918845 1010491633 /nfs/dbraw/zinc/49/16/33/1010491633.db2.gz GSPMIICCNUQFNO-UHFFFAOYSA-N -1 1 420.410 3.941 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000545192306 1010679002 /nfs/dbraw/zinc/67/90/02/1010679002.db2.gz DHODJZWLWVXMJG-XYPYZODXSA-N -1 1 402.259 3.521 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000541074512 1011714364 /nfs/dbraw/zinc/71/43/64/1011714364.db2.gz NMMYMSIXLRJWHH-UHFFFAOYSA-N -1 1 408.766 3.659 20 5 HHBDMM COCC1(C)CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000536893477 1012145577 /nfs/dbraw/zinc/14/55/77/1012145577.db2.gz NYCFRMBXQXQOLC-UHFFFAOYSA-N -1 1 419.503 3.649 20 5 HHBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000760337229 1072261688 /nfs/dbraw/zinc/26/16/88/1072261688.db2.gz NAVYTIMAZBPTMM-UHFFFAOYSA-N -1 1 401.238 3.557 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(Br)c1 ZINC000570965055 1072525495 /nfs/dbraw/zinc/52/54/95/1072525495.db2.gz FRZALNQRGLFGAM-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000479114694 1072751508 /nfs/dbraw/zinc/75/15/08/1072751508.db2.gz LOXGYUWOSUNNKH-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM Cc1cc(C(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)ccc1[N+](=O)[O-] ZINC001649006179 1074189172 /nfs/dbraw/zinc/18/91/72/1074189172.db2.gz NNTOWLRJOHBWAE-AWEZNQCLSA-N -1 1 421.375 3.716 20 5 HHBDMM C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301975645 971139082 /nfs/dbraw/zinc/13/90/82/971139082.db2.gz VWWCVCROPHZSGM-MIFYACCESA-N -1 1 405.476 3.764 20 5 HHBDMM COc1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1Br ZINC000302146273 971186692 /nfs/dbraw/zinc/18/66/92/971186692.db2.gz GRFIXCIXZFOAOU-UHFFFAOYSA-N -1 1 407.267 3.575 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)s1 ZINC000537564948 1013102044 /nfs/dbraw/zinc/10/20/44/1013102044.db2.gz PFNOJQGDUJZOPY-SECBINFHSA-N -1 1 422.315 3.520 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1Cl ZINC000010516260 961837349 /nfs/dbraw/zinc/83/73/49/961837349.db2.gz ICZXHVOQGOEBKQ-UHFFFAOYSA-N -1 1 410.757 3.990 20 5 HHBDMM CCc1cc2c(COC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(=O)oc2cc1[O-] ZINC000011029008 961989319 /nfs/dbraw/zinc/98/93/19/961989319.db2.gz XVJKEXCWGCUJHT-UHFFFAOYSA-N -1 1 403.774 3.980 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)c1C ZINC000012970445 962357607 /nfs/dbraw/zinc/35/76/07/962357607.db2.gz IXOPNDIYEVRKCD-UHFFFAOYSA-N -1 1 423.878 3.793 20 5 HHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1Cl ZINC000014097722 962421399 /nfs/dbraw/zinc/42/13/99/962421399.db2.gz DATDHJPYEFGOOG-UHFFFAOYSA-N -1 1 418.258 3.969 20 5 HHBDMM COC(=O)CCSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000015210496 962686854 /nfs/dbraw/zinc/68/68/54/962686854.db2.gz PCSBUPKIMHWACD-UHFFFAOYSA-N -1 1 424.500 3.668 20 5 HHBDMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000015409917 962751625 /nfs/dbraw/zinc/75/16/25/962751625.db2.gz KPCJJTMSNJPOSG-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025845662 964371999 /nfs/dbraw/zinc/37/19/99/964371999.db2.gz RCIQVYTXUVZYLZ-UHFFFAOYSA-N -1 1 418.862 3.566 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1[N+](=O)[O-] ZINC000553663658 1013529907 /nfs/dbraw/zinc/52/99/07/1013529907.db2.gz YEBNNDORDBEQSL-UHFFFAOYSA-N -1 1 405.476 3.785 20 5 HHBDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2C)c1 ZINC000028700923 965167471 /nfs/dbraw/zinc/16/74/71/965167471.db2.gz YPTMNLNCDRBNNN-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000055315629 965814359 /nfs/dbraw/zinc/81/43/59/965814359.db2.gz OAVHUMGEERJQQH-UHFFFAOYSA-N -1 1 400.456 3.757 20 5 HHBDMM COc1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)ccc1[N-]S(C)(=O)=O ZINC000033070211 966364647 /nfs/dbraw/zinc/36/46/47/966364647.db2.gz NAUZTXXXJRUAMR-UHFFFAOYSA-N -1 1 421.475 3.525 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(COc3ccccc3)cc2)s1 ZINC000066000541 968764207 /nfs/dbraw/zinc/76/42/07/968764207.db2.gz XJQIVGGFTKPYLK-UHFFFAOYSA-N -1 1 404.469 3.714 20 5 HHBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000070213283 968850960 /nfs/dbraw/zinc/85/09/60/968850960.db2.gz KVGQCAFASLZPNA-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000112689018 969825014 /nfs/dbraw/zinc/82/50/14/969825014.db2.gz AEJDEBHAGAWEIO-MRXNPFEDSA-N -1 1 420.422 3.571 20 5 HHBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c1 ZINC000145479524 970262342 /nfs/dbraw/zinc/26/23/42/970262342.db2.gz AINKKSYUNXNFKB-UHFFFAOYSA-N -1 1 402.457 4.000 20 5 HHBDMM Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc([N+](=O)[O-])c1 ZINC000150331694 970443133 /nfs/dbraw/zinc/44/31/33/970443133.db2.gz CFCVVEAYYYWEMQ-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)c([N+](=O)[O-])c1 ZINC000320119235 972676302 /nfs/dbraw/zinc/67/63/02/972676302.db2.gz IIBMTJCGDAXCJV-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1C ZINC000391469601 972841008 /nfs/dbraw/zinc/84/10/08/972841008.db2.gz LCSNLCQUIDNTQM-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000432082601 978673195 /nfs/dbraw/zinc/67/31/95/978673195.db2.gz UMJZROLBYARMEU-UHFFFAOYSA-N -1 1 401.227 3.831 20 5 HHBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 ZINC000432210006 978715141 /nfs/dbraw/zinc/71/51/41/978715141.db2.gz IUXGFOBGJJCRGI-UHFFFAOYSA-N -1 1 419.440 3.581 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000432297631 978750537 /nfs/dbraw/zinc/75/05/37/978750537.db2.gz KLZOQOLZSGBWFP-CYBMUJFWSA-N -1 1 406.357 3.748 20 5 HHBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433184311 979125604 /nfs/dbraw/zinc/12/56/04/979125604.db2.gz VPBBYLBUPYXWPD-UHFFFAOYSA-N -1 1 403.192 3.705 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436154719 981224439 /nfs/dbraw/zinc/22/44/39/981224439.db2.gz NXHGMNNXYGYNLU-UHFFFAOYSA-N -1 1 400.840 3.845 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000460714157 982471156 /nfs/dbraw/zinc/47/11/56/982471156.db2.gz IHVWFVABNPDXPF-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000461118580 982813403 /nfs/dbraw/zinc/81/34/03/982813403.db2.gz LZEZBHSGGXNLGJ-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM COCc1cccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000438798372 983077346 /nfs/dbraw/zinc/07/73/46/983077346.db2.gz SIMFWZVOLXWEST-UHFFFAOYSA-N -1 1 415.265 3.613 20 5 HHBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000440127745 983653279 /nfs/dbraw/zinc/65/32/79/983653279.db2.gz HTMUBOZIRXGPGL-LBPRGKRZSA-N -1 1 412.229 3.686 20 5 HHBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462414588 985388704 /nfs/dbraw/zinc/38/87/04/985388704.db2.gz DOWQGABMMQOVHJ-CQSZACIVSA-N -1 1 405.259 3.568 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000462619683 985562995 /nfs/dbraw/zinc/56/29/95/985562995.db2.gz GORUKLYQRRRJAI-SNVBAGLBSA-N -1 1 423.661 3.967 20 5 HHBDMM Cc1nn(C)cc1[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000443437786 985596427 /nfs/dbraw/zinc/59/64/27/985596427.db2.gz CNRSQZOEEZPXOD-ZDUSSCGKSA-N -1 1 415.475 3.611 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)c3ccccc32)c([N+](=O)[O-])n1 ZINC000462672915 985610441 /nfs/dbraw/zinc/61/04/41/985610441.db2.gz DPZBHJUJTKCSDB-LLVKDONJSA-N -1 1 408.867 3.657 20 5 HHBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000462720247 985666766 /nfs/dbraw/zinc/66/67/66/985666766.db2.gz PJVAHAOXHNOXAB-JTQLQIEISA-N -1 1 405.259 3.647 20 5 HHBDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000444367588 986545275 /nfs/dbraw/zinc/54/52/75/986545275.db2.gz GRQDKCLHAOSBDS-UHFFFAOYSA-N -1 1 408.458 3.660 20 5 HHBDMM CC(C)CO[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000469025730 986735093 /nfs/dbraw/zinc/73/50/93/986735093.db2.gz UCNARXGYWDTGRA-QGZVFWFLSA-N -1 1 419.503 3.647 20 5 HHBDMM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000445208830 987277720 /nfs/dbraw/zinc/27/77/20/987277720.db2.gz FLZMZGNMWCVJMH-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000445365353 987420599 /nfs/dbraw/zinc/42/05/99/987420599.db2.gz KIGWHEOAOLORMJ-UHFFFAOYSA-N -1 1 405.370 3.946 20 5 HHBDMM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000471115576 989218944 /nfs/dbraw/zinc/21/89/44/989218944.db2.gz JGIKPLWWIZBPFD-UHFFFAOYSA-N -1 1 416.390 3.979 20 5 HHBDMM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000466859896 992179795 /nfs/dbraw/zinc/17/97/95/992179795.db2.gz TXRMMRMODXOMFJ-SECBINFHSA-N -1 1 409.411 3.808 20 5 HHBDMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3C)cc2c1C ZINC000473501381 994348835 /nfs/dbraw/zinc/34/88/35/994348835.db2.gz DFSUBEWMZWJKOC-UHFFFAOYSA-N -1 1 418.427 3.935 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(CN2CCCCC2=O)c1 ZINC000481974891 994868170 /nfs/dbraw/zinc/86/81/70/994868170.db2.gz UFPCEASAWACRQX-UHFFFAOYSA-N -1 1 417.487 3.525 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000481979495 994875691 /nfs/dbraw/zinc/87/56/91/994875691.db2.gz JYQFYHTZQOAYCP-UHFFFAOYSA-N -1 1 422.503 3.954 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC(F)(F)F ZINC000482130120 995079828 /nfs/dbraw/zinc/07/98/28/995079828.db2.gz LGIHAKKECXIJNI-UHFFFAOYSA-N -1 1 420.365 3.654 20 5 HHBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000482630502 995624645 /nfs/dbraw/zinc/62/46/45/995624645.db2.gz AGNBREOAUCVMNT-UHFFFAOYSA-N -1 1 417.219 3.809 20 5 HHBDMM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000484533780 996865928 /nfs/dbraw/zinc/86/59/28/996865928.db2.gz JWNOMSKPVAGRIK-UHFFFAOYSA-N -1 1 409.178 3.540 20 5 HHBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000484952097 997330048 /nfs/dbraw/zinc/33/00/48/997330048.db2.gz KCSAMMKEKISTIL-UHFFFAOYSA-N -1 1 411.159 3.566 20 5 HHBDMM Cc1c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc(Br)cc1[N+](=O)[O-] ZINC000485395141 997823634 /nfs/dbraw/zinc/82/36/34/997823634.db2.gz CRXQAKFDYBQEIE-UHFFFAOYSA-N -1 1 414.281 3.533 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1[N+](=O)[O-] ZINC000491832189 1000096384 /nfs/dbraw/zinc/09/63/84/1000096384.db2.gz OLMVEAWHDJIPRK-UHFFFAOYSA-N -1 1 413.459 3.675 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CC3CC3)cc2)cc1[N+](=O)[O-] ZINC000494050677 1000284319 /nfs/dbraw/zinc/28/43/19/1000284319.db2.gz SUZSDFDTLMSXHT-AWEZNQCLSA-N -1 1 417.487 3.622 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506264018 1001316247 /nfs/dbraw/zinc/31/62/47/1001316247.db2.gz MIGJMFXXARIDKX-OAHLLOKOSA-N -1 1 424.910 3.916 20 5 HHBDMM C[C@H](Nc1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507245499 1001930091 /nfs/dbraw/zinc/93/00/91/1001930091.db2.gz BLIHDHWKURRCSY-LBPRGKRZSA-N -1 1 419.401 3.793 20 5 HHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1OC(C)C ZINC000499262292 1002665123 /nfs/dbraw/zinc/66/51/23/1002665123.db2.gz BETJDKSXPVPKLD-UHFFFAOYSA-N -1 1 400.840 3.850 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC000509784212 1004094577 /nfs/dbraw/zinc/09/45/77/1004094577.db2.gz VZHGIJLXSWCLPA-AWEZNQCLSA-N -1 1 416.908 3.756 20 5 HHBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1F ZINC000510827134 1004877338 /nfs/dbraw/zinc/87/73/38/1004877338.db2.gz QVQWMFLPTPZKIE-UHFFFAOYSA-N -1 1 404.247 3.931 20 5 HHBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2F)n1 ZINC000515630033 1006567536 /nfs/dbraw/zinc/56/75/36/1006567536.db2.gz QPCFVVFOJJCSSJ-UHFFFAOYSA-N -1 1 418.450 3.954 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCOc2cc(F)ccc21 ZINC000538536724 1006798763 /nfs/dbraw/zinc/79/87/63/1006798763.db2.gz CYMULMGDDFTWSN-CYBMUJFWSA-N -1 1 400.815 3.580 20 5 HHBDMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000516627198 1007200404 /nfs/dbraw/zinc/20/04/04/1007200404.db2.gz ZDODPBWPKJUDQB-UHFFFAOYSA-N -1 1 418.818 3.790 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)c([N+](=O)[O-])n1 ZINC000539859891 1008145203 /nfs/dbraw/zinc/14/52/03/1008145203.db2.gz WAMBANMZODMXCB-ZDUSSCGKSA-N -1 1 418.450 3.657 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCOC)c(Cl)c1 ZINC000519201686 1008605920 /nfs/dbraw/zinc/60/59/20/1008605920.db2.gz AFJLDSAHYRGWQH-UHFFFAOYSA-N -1 1 414.867 3.637 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000520037906 1009195391 /nfs/dbraw/zinc/19/53/91/1009195391.db2.gz NLGKTVGPTXQITM-UHFFFAOYSA-N -1 1 418.450 3.900 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000522691552 1011161003 /nfs/dbraw/zinc/16/10/03/1011161003.db2.gz AGGRRWPZBLYNDD-UHFFFAOYSA-N -1 1 420.424 3.948 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000522959301 1011406572 /nfs/dbraw/zinc/40/65/72/1011406572.db2.gz ZYEUBMJSOYSQCV-UHFFFAOYSA-N -1 1 406.460 3.509 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000536901193 1012160903 /nfs/dbraw/zinc/16/09/03/1012160903.db2.gz QURBPYZMGCLKBG-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c1 ZINC000541806668 1012690121 /nfs/dbraw/zinc/69/01/21/1012690121.db2.gz RSHLUOMMSLFJMS-UHFFFAOYSA-N -1 1 420.487 3.818 20 5 HHBDMM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000524148983 1012935901 /nfs/dbraw/zinc/93/59/01/1012935901.db2.gz WCGLPGVBCYZXJB-UHFFFAOYSA-N -1 1 424.784 3.624 20 5 HHBDMM Cc1cc([N+](=O)[O-])cnc1N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000553010786 1012982984 /nfs/dbraw/zinc/98/29/84/1012982984.db2.gz ZLXMMYFHJANUMU-UHFFFAOYSA-N -1 1 412.471 3.735 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000729666719 1071779522 /nfs/dbraw/zinc/77/95/22/1071779522.db2.gz WSHAZFYRJHXQAB-UHFFFAOYSA-N -1 1 423.447 3.751 20 5 HHBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 ZINC000760343916 1072265605 /nfs/dbraw/zinc/26/56/05/1072265605.db2.gz JIPZBRUKENZZCV-UHFFFAOYSA-N -1 1 415.265 3.865 20 5 HHBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccc3ccccc3n2)n1 ZINC000590556696 1073892173 /nfs/dbraw/zinc/89/21/73/1073892173.db2.gz NGCWEGDYPYEQMC-UHFFFAOYSA-N -1 1 404.386 3.579 20 5 HHBDMM CO[C@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301432758 970925687 /nfs/dbraw/zinc/92/56/87/970925687.db2.gz GLTRQDHIQWUTEL-HKUYNNGSSA-N -1 1 405.476 3.765 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)C(C)(C)C ZINC000303446939 971742502 /nfs/dbraw/zinc/74/25/02/971742502.db2.gz DCDSQMLXMNQYGZ-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000303800209 972036826 /nfs/dbraw/zinc/03/68/26/972036826.db2.gz JMEJOLQMTKAOHQ-UHFFFAOYSA-N -1 1 419.322 3.720 20 5 HHBDMM CCc1cc2c(COC(=O)CSc3ccc([N+](=O)[O-])cc3)cc(=O)oc2cc1[O-] ZINC000009352569 961636601 /nfs/dbraw/zinc/63/66/01/961636601.db2.gz HBSSZVMBZNBWIM-UHFFFAOYSA-N -1 1 415.423 3.805 20 5 HHBDMM COc1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000010967820 961966622 /nfs/dbraw/zinc/96/66/22/961966622.db2.gz QHDRXBZWTQXYAI-UHFFFAOYSA-N -1 1 422.369 3.976 20 5 HHBDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000553570183 1013467273 /nfs/dbraw/zinc/46/72/73/1013467273.db2.gz RADRQQGABLLENA-ANRSDYALSA-N -1 1 420.340 3.553 20 5 HHBDMM COCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1F ZINC000057124264 965296738 /nfs/dbraw/zinc/29/67/38/965296738.db2.gz GGJNBPJFGNQFLY-UHFFFAOYSA-N -1 1 418.830 3.522 20 5 HHBDMM COc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000029579825 965419493 /nfs/dbraw/zinc/41/94/93/965419493.db2.gz ZJIGHPNJCBVSIU-UHFFFAOYSA-N -1 1 402.379 3.507 20 5 HHBDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cc21 ZINC000542731255 1013643331 /nfs/dbraw/zinc/64/33/31/1013643331.db2.gz JREOXGZDMPITBX-UHFFFAOYSA-N -1 1 403.460 3.614 20 5 HHBDMM COc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)n2)cc1 ZINC000542781543 1013679469 /nfs/dbraw/zinc/67/94/69/1013679469.db2.gz KAFUOUVTDCQEIR-UHFFFAOYSA-N -1 1 422.369 3.976 20 5 HHBDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000063443930 966860574 /nfs/dbraw/zinc/86/05/74/966860574.db2.gz FGCZJEXQJBVXEK-UHFFFAOYSA-N -1 1 418.258 3.969 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000065832901 968670809 /nfs/dbraw/zinc/67/08/09/968670809.db2.gz YZPCSLLOBQTQAT-UHFFFAOYSA-N -1 1 408.476 3.646 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(COc3ccccc3)c2)s1 ZINC000066001389 968765667 /nfs/dbraw/zinc/76/56/67/968765667.db2.gz RXWJVLLCCZKIJK-UHFFFAOYSA-N -1 1 404.469 3.714 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000146683352 970306119 /nfs/dbraw/zinc/30/61/19/970306119.db2.gz CMOYQUAVAHDQNL-SECBINFHSA-N -1 1 406.794 3.889 20 5 HHBDMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC ZINC000146746825 970307756 /nfs/dbraw/zinc/30/77/56/970307756.db2.gz SQOKIONXNNVSJK-LLVKDONJSA-N -1 1 414.867 3.695 20 5 HHBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000323186929 972709989 /nfs/dbraw/zinc/70/99/89/972709989.db2.gz LIBMDTSFHAGLPB-UHFFFAOYSA-N -1 1 407.192 3.577 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC3(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000429479703 976742050 /nfs/dbraw/zinc/74/20/50/976742050.db2.gz YIPWVHPIYDDCMW-UHFFFAOYSA-N -1 1 403.460 3.833 20 5 HHBDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000432181824 978703089 /nfs/dbraw/zinc/70/30/89/978703089.db2.gz GOLBNQFQXKCVOC-UHFFFAOYSA-N -1 1 402.432 3.625 20 5 HHBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1 ZINC000432184041 978704345 /nfs/dbraw/zinc/70/43/45/978704345.db2.gz BJMBESQTBNKNMF-UHFFFAOYSA-N -1 1 424.406 3.554 20 5 HHBDMM CCOC(=O)c1cnc(C(C)=Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[n-]c1=O ZINC000432704119 978941893 /nfs/dbraw/zinc/94/18/93/978941893.db2.gz CJJVICIKUGDLGN-YRNVUSSQSA-N -1 1 412.427 3.951 20 5 HHBDMM O=C(c1ccc(Br)cc1[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436589076 981462628 /nfs/dbraw/zinc/46/26/28/981462628.db2.gz JQVWORLJIHGTHL-INIZCTEOSA-N -1 1 409.261 3.951 20 5 HHBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2Nc2ccccc2)c1 ZINC000440822394 983922143 /nfs/dbraw/zinc/92/21/43/983922143.db2.gz UBEAGHDBNCXOEO-UHFFFAOYSA-N -1 1 413.411 3.837 20 5 HHBDMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCCC1 ZINC000442314052 984812037 /nfs/dbraw/zinc/81/20/37/984812037.db2.gz LJNNKKBQZJDKCD-UHFFFAOYSA-N -1 1 418.475 3.804 20 5 HHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)c1 ZINC000442325108 984826240 /nfs/dbraw/zinc/82/62/40/984826240.db2.gz QVABTHSPZGCYFU-MHZLTWQESA-N -1 1 422.528 3.977 20 5 HHBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000462720248 985666668 /nfs/dbraw/zinc/66/66/68/985666668.db2.gz PJVAHAOXHNOXAB-SNVBAGLBSA-N -1 1 405.259 3.647 20 5 HHBDMM C[C@@H](O)CC(C)(C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000462884941 985809297 /nfs/dbraw/zinc/80/92/97/985809297.db2.gz RSHGDDRBBJTKIZ-CQSZACIVSA-N -1 1 407.492 3.605 20 5 HHBDMM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Cl ZINC000468344983 986042104 /nfs/dbraw/zinc/04/21/04/986042104.db2.gz ZISHHCVHCISALJ-UHFFFAOYSA-N -1 1 419.242 3.797 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000444219170 986402690 /nfs/dbraw/zinc/40/26/90/986402690.db2.gz LXMVRHYFSRRRGT-UHFFFAOYSA-N -1 1 406.407 3.685 20 5 HHBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC000444374021 986550449 /nfs/dbraw/zinc/55/04/49/986550449.db2.gz MELNJXNVCOFMQZ-UHFFFAOYSA-N -1 1 413.430 3.624 20 5 HHBDMM COc1cccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2Cl)c1 ZINC000444997616 987127381 /nfs/dbraw/zinc/12/73/81/987127381.db2.gz PAQCWFHBPSFJBZ-SFHVURJKSA-N -1 1 413.817 3.877 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000445209828 987278333 /nfs/dbraw/zinc/27/83/33/987278333.db2.gz HELKFGAHFDRYPW-ZDUSSCGKSA-N -1 1 410.199 3.574 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2nc(C3(c4cccc(Br)c4)CCOCC3)no2)[n-]1 ZINC000445396189 987453081 /nfs/dbraw/zinc/45/30/81/987453081.db2.gz ZTSZELTZLQRYQO-UHFFFAOYSA-N -1 1 419.235 3.832 20 5 HHBDMM Cc1csc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2)n1 ZINC000471109139 989210253 /nfs/dbraw/zinc/21/02/53/989210253.db2.gz BWFPTASPCDOWOO-UHFFFAOYSA-N -1 1 419.440 3.526 20 5 HHBDMM CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000465252072 989603537 /nfs/dbraw/zinc/60/35/37/989603537.db2.gz INPGJSMYODYGQB-UHFFFAOYSA-N -1 1 415.427 3.761 20 5 HHBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000471442240 989625216 /nfs/dbraw/zinc/62/52/16/989625216.db2.gz GMCBAGUJBJUQHN-SECBINFHSA-N -1 1 400.218 3.542 20 5 HHBDMM COc1ccc(Br)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466953200 992262801 /nfs/dbraw/zinc/26/28/01/992262801.db2.gz DOEPEMSSXQQHNX-UHFFFAOYSA-N -1 1 407.267 3.537 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000481954770 994836700 /nfs/dbraw/zinc/83/67/00/994836700.db2.gz CJOGKFFBCSHSTK-GOSISDBHSA-N -1 1 406.460 3.570 20 5 HHBDMM O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000482185789 995156465 /nfs/dbraw/zinc/15/64/65/995156465.db2.gz YKKHOVIJYAHYCA-UHFFFAOYSA-N -1 1 401.728 3.787 20 5 HHBDMM CSC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000476033711 996556749 /nfs/dbraw/zinc/55/67/49/996556749.db2.gz ZPURPIMGUGIQNH-UHFFFAOYSA-N -1 1 421.500 3.538 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1[N+](=O)[O-] ZINC000477465257 998179257 /nfs/dbraw/zinc/17/92/57/998179257.db2.gz HSZSJWZUVGYRCA-UHFFFAOYSA-N -1 1 403.416 3.676 20 5 HHBDMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000486385961 998739888 /nfs/dbraw/zinc/73/98/88/998739888.db2.gz CBOVJZPHLCAKSK-UHFFFAOYSA-N -1 1 414.215 3.814 20 5 HHBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1F ZINC000478083101 998752973 /nfs/dbraw/zinc/75/29/73/998752973.db2.gz JMUDKTRREXAFRK-UHFFFAOYSA-N -1 1 412.370 3.642 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2noc([N-][C@H](CO)c3ccc(Br)c(F)c3)n2)cc1 ZINC000488729862 999591216 /nfs/dbraw/zinc/59/12/16/999591216.db2.gz DQKUTIDJGYOBFX-CQSZACIVSA-N -1 1 423.198 3.692 20 5 HHBDMM O=[N+]([O-])c1ccc(-c2noc([N-][C@H](CO)c3ccc(Br)cc3)n2)cc1 ZINC000489018451 999673688 /nfs/dbraw/zinc/67/36/88/999673688.db2.gz UFAKKFWNJNLLTA-CQSZACIVSA-N -1 1 405.208 3.553 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000480185731 999739370 /nfs/dbraw/zinc/73/93/70/999739370.db2.gz WVUXJQJTJMDXAN-INIZCTEOSA-N -1 1 416.459 3.740 20 5 HHBDMM Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2C(C)C)cc1 ZINC000480208032 999745719 /nfs/dbraw/zinc/74/57/19/999745719.db2.gz HHAPWASSRDHVEW-UHFFFAOYSA-N -1 1 416.459 3.719 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000491056568 1000040226 /nfs/dbraw/zinc/04/02/26/1000040226.db2.gz BSUUYXVODZKQAE-UHFFFAOYSA-N -1 1 419.242 3.864 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000491584013 1000085958 /nfs/dbraw/zinc/08/59/58/1000085958.db2.gz PCANXBOEEARWES-QGZVFWFLSA-N -1 1 406.460 3.570 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000491592543 1000087229 /nfs/dbraw/zinc/08/72/29/1000087229.db2.gz WNZPAOLHURGABJ-UHFFFAOYSA-N -1 1 413.455 3.986 20 5 HHBDMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc21 ZINC000491608036 1000089859 /nfs/dbraw/zinc/08/98/59/1000089859.db2.gz UBHRADQDPNHASX-UHFFFAOYSA-N -1 1 417.487 3.702 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)cc1[N+](=O)[O-] ZINC000497566160 1001438230 /nfs/dbraw/zinc/43/82/30/1001438230.db2.gz MBJYAXQTIXYCEU-UHFFFAOYSA-N -1 1 415.427 3.858 20 5 HHBDMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccn2)c1 ZINC000497938796 1001572114 /nfs/dbraw/zinc/57/21/14/1001572114.db2.gz OMFQMVRCVLKSFB-LJQANCHMSA-N -1 1 401.419 3.505 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c(F)c1 ZINC000507906899 1002441334 /nfs/dbraw/zinc/44/13/34/1002441334.db2.gz DOWVOPQQIWZSJR-CYBMUJFWSA-N -1 1 410.320 3.845 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1[N+](=O)[O-] ZINC000508011104 1002536627 /nfs/dbraw/zinc/53/66/27/1002536627.db2.gz MXIFZRUJEZDORN-UHFFFAOYSA-N -1 1 405.457 3.740 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000499738903 1003084543 /nfs/dbraw/zinc/08/45/43/1003084543.db2.gz NKBHZRFFMZJBJI-VIFPVBQESA-N -1 1 402.341 3.717 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1[N+](=O)[O-] ZINC000500300765 1003608713 /nfs/dbraw/zinc/60/87/13/1003608713.db2.gz WPANLKQUXNDYSO-UHFFFAOYSA-N -1 1 401.400 3.549 20 5 HHBDMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000509545505 1003935866 /nfs/dbraw/zinc/93/58/66/1003935866.db2.gz YXVSWVLDOOEJTH-UHFFFAOYSA-N -1 1 411.867 3.529 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000512161397 1004068105 /nfs/dbraw/zinc/06/81/05/1004068105.db2.gz WMMBGGJQUXTTBC-UHFFFAOYSA-N -1 1 411.233 3.582 20 5 HHBDMM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)cc1F ZINC000501469228 1004443977 /nfs/dbraw/zinc/44/39/77/1004443977.db2.gz VFQVXOWPOGPMQL-HAQNSBGRSA-N -1 1 414.842 3.620 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(COCc3ccccc3)cc2)s1 ZINC000512763024 1004545271 /nfs/dbraw/zinc/54/52/71/1004545271.db2.gz IAUQQKNVINFHBM-UHFFFAOYSA-N -1 1 418.496 3.852 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000512781610 1004556750 /nfs/dbraw/zinc/55/67/50/1004556750.db2.gz UVWVNDFFGFYGEP-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM CCC(CC)(CO)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000511605948 1005242268 /nfs/dbraw/zinc/24/22/68/1005242268.db2.gz XVRSAIQLAJHRJG-UHFFFAOYSA-N -1 1 407.492 3.606 20 5 HHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(Br)cc2nc[nH]c21 ZINC000503522644 1005443074 /nfs/dbraw/zinc/44/30/74/1005443074.db2.gz BNWTYPWKFXJRNN-UHFFFAOYSA-N -1 1 411.599 3.845 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000538536730 1006798843 /nfs/dbraw/zinc/79/88/43/1006798843.db2.gz CYMULMGDDFTWSN-ZDUSSCGKSA-N -1 1 400.815 3.580 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000535070250 1007090393 /nfs/dbraw/zinc/09/03/93/1007090393.db2.gz OEMISDOGYALMLB-TZMCWYRMSA-N -1 1 415.393 3.623 20 5 HHBDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000519994853 1009145864 /nfs/dbraw/zinc/14/58/64/1009145864.db2.gz ZFURWEUJJLQKLE-AWEZNQCLSA-N -1 1 405.476 3.541 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)c([N+](=O)[O-])c1 ZINC000550050389 1009650007 /nfs/dbraw/zinc/65/00/07/1009650007.db2.gz SWDPOSQBOHBWDP-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(CN2CCSCC2)cc1 ZINC000544661152 1010280725 /nfs/dbraw/zinc/28/07/25/1010280725.db2.gz PBUJJSULLVTVHT-UHFFFAOYSA-N -1 1 407.879 3.755 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000521669902 1010538151 /nfs/dbraw/zinc/53/81/51/1010538151.db2.gz RVUCQXWSRCMEHL-UHFFFAOYSA-N -1 1 419.390 3.731 20 5 HHBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc([N+](=O)[O-])c1 ZINC000522917855 1011364410 /nfs/dbraw/zinc/36/44/10/1011364410.db2.gz HEUPVNVEVPZZPI-UHFFFAOYSA-N -1 1 401.762 3.942 20 5 HHBDMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000522971000 1011419326 /nfs/dbraw/zinc/41/93/26/1011419326.db2.gz VDYLXHOSBCBXIN-BMIGLBTASA-N -1 1 419.286 3.956 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000541927242 1012787615 /nfs/dbraw/zinc/78/76/15/1012787615.db2.gz FPVKRVYASCCSGH-UHFFFAOYSA-N -1 1 412.851 3.765 20 5 HHBDMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1C ZINC000760336959 1072255754 /nfs/dbraw/zinc/25/57/54/1072255754.db2.gz BUOZWHRTDJHVPA-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM CSc1ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000760338902 1072262306 /nfs/dbraw/zinc/26/23/06/1072262306.db2.gz GVTRKOXJFBEXNM-UHFFFAOYSA-N -1 1 403.279 3.880 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)Cc2cn(C)c3ccc(F)cc23)cc1F ZINC001212145707 1072565258 /nfs/dbraw/zinc/56/52/58/1072565258.db2.gz QHSHJUDSOSFANB-GFCCVEGCSA-N -1 1 423.441 3.583 20 5 HHBDMM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000760895326 1074593433 /nfs/dbraw/zinc/59/34/33/1074593433.db2.gz WSMZNRKHKWKLEB-UHFFFAOYSA-N -1 1 420.672 3.823 20 5 HHBDMM O=c1[n-]c(Oc2ccc([N+](=O)[O-])c3ncccc23)nc2c1cnn2-c1ccccc1 ZINC000302235688 971215777 /nfs/dbraw/zinc/21/57/77/971215777.db2.gz FKIUHBFZKDVNQC-UHFFFAOYSA-N -1 1 400.354 3.770 20 5 HHBDMM CCc1cc2c(COC(=O)CCNc3ccccc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000011314410 962054111 /nfs/dbraw/zinc/05/41/11/962054111.db2.gz QILBXTYISIDZKY-UHFFFAOYSA-N -1 1 412.398 3.515 20 5 HHBDMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1csc([N+](=O)[O-])c1 ZINC000053158294 965075927 /nfs/dbraw/zinc/07/59/27/965075927.db2.gz QKUHBBNNQOFISZ-UHFFFAOYSA-N -1 1 403.441 3.709 20 5 HHBDMM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000028781710 965180493 /nfs/dbraw/zinc/18/04/93/965180493.db2.gz HCBFIYIWONZPPU-BJMVGYQFSA-N -1 1 410.835 3.625 20 5 HHBDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000065223942 967412314 /nfs/dbraw/zinc/41/23/14/967412314.db2.gz KHUYDLKCAWFVMQ-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000046611925 967880564 /nfs/dbraw/zinc/88/05/64/967880564.db2.gz KZPAZWKPDUTXKL-UHFFFAOYSA-N -1 1 401.400 3.549 20 5 HHBDMM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(Cl)cc2F)cc1OC ZINC000538248944 1013794114 /nfs/dbraw/zinc/79/41/14/1013794114.db2.gz LNQVGGICNFVBLI-UHFFFAOYSA-N -1 1 416.764 3.813 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1 ZINC000195669232 969944879 /nfs/dbraw/zinc/94/48/79/969944879.db2.gz BIMSEHMEQKARSC-UHFFFAOYSA-N -1 1 409.876 3.850 20 5 HHBDMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000426798376 974668564 /nfs/dbraw/zinc/66/85/64/974668564.db2.gz ICRFOIBWFBUKDA-LJQANCHMSA-N -1 1 414.849 3.966 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000427119597 974919888 /nfs/dbraw/zinc/91/98/88/974919888.db2.gz KSJDCZFOYPYENV-UHFFFAOYSA-N -1 1 402.457 4.000 20 5 HHBDMM Cc1cc2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2n(C)c1=O ZINC000427299919 975036256 /nfs/dbraw/zinc/03/62/56/975036256.db2.gz ARBBAQNMKSMAMF-UHFFFAOYSA-N -1 1 421.862 3.518 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000427386989 975088227 /nfs/dbraw/zinc/08/82/27/975088227.db2.gz MPDLURFZQYIBLQ-UHFFFAOYSA-N -1 1 404.835 3.951 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)ccc1[N+](=O)[O-] ZINC000427637558 975219549 /nfs/dbraw/zinc/21/95/49/975219549.db2.gz PTLCGAVBWVPTBH-UHFFFAOYSA-N -1 1 424.482 3.662 20 5 HHBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000427797447 975294539 /nfs/dbraw/zinc/29/45/39/975294539.db2.gz AVFDHUXMGVIDAF-LJQANCHMSA-N -1 1 416.455 3.881 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000427807286 975300440 /nfs/dbraw/zinc/30/04/40/975300440.db2.gz MDZKLDPPOOPEAH-WBVHZDCISA-N -1 1 410.879 3.664 20 5 HHBDMM CCCc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000431901477 978587467 /nfs/dbraw/zinc/58/74/67/978587467.db2.gz LZTJCGFJXQCZRB-UHFFFAOYSA-N -1 1 416.459 3.548 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2)cc1[N+](=O)[O-] ZINC000434216216 979986613 /nfs/dbraw/zinc/98/66/13/979986613.db2.gz ZXSQXXBPPYSFBX-QZTJIDSGSA-N -1 1 415.471 3.689 20 5 HHBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)[nH]n2)c1 ZINC000434975842 980543720 /nfs/dbraw/zinc/54/37/20/980543720.db2.gz GXHUUYOTVPNEAU-UHFFFAOYSA-N -1 1 412.349 3.805 20 5 HHBDMM Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc([O-])cc3F)no2)ccc1[N+](=O)[O-] ZINC000436870800 981597925 /nfs/dbraw/zinc/59/79/25/981597925.db2.gz FZEQNYVHDHGVGM-KRWDZBQOSA-N -1 1 412.377 3.775 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CCCS3)cc2)cc1[N+](=O)[O-] ZINC000438895712 983141438 /nfs/dbraw/zinc/14/14/38/983141438.db2.gz KTGJRHIDKCPGMS-KRWDZBQOSA-N -1 1 421.500 3.538 20 5 HHBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000442247799 984769949 /nfs/dbraw/zinc/76/99/49/984769949.db2.gz FLCYNEPGEANBOL-UHFFFAOYSA-N -1 1 401.238 3.557 20 5 HHBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000442334967 984838443 /nfs/dbraw/zinc/83/84/43/984838443.db2.gz FWGQMWUWOCSUNA-MHZLTWQESA-N -1 1 416.480 3.703 20 5 HHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1OC ZINC000442938594 985290617 /nfs/dbraw/zinc/29/06/17/985290617.db2.gz ZBGMKPMJBUCBAK-UHFFFAOYSA-N -1 1 416.308 3.859 20 5 HHBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000462577120 985524383 /nfs/dbraw/zinc/52/43/83/985524383.db2.gz HGBPNIXYCYOBGP-JTQLQIEISA-N -1 1 405.259 3.647 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000462619682 985562834 /nfs/dbraw/zinc/56/28/34/985562834.db2.gz GORUKLYQRRRJAI-JTQLQIEISA-N -1 1 423.661 3.967 20 5 HHBDMM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000462716199 985661745 /nfs/dbraw/zinc/66/17/45/985661745.db2.gz YFEITYRHZZMEBE-SNVBAGLBSA-N -1 1 417.281 3.558 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000444325996 986505673 /nfs/dbraw/zinc/50/56/73/986505673.db2.gz ZGXCACNJLBEFKC-GUYCJALGSA-N -1 1 417.487 3.622 20 5 HHBDMM COc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2Cl)cc1 ZINC000444997515 987127369 /nfs/dbraw/zinc/12/73/69/987127369.db2.gz OMCAMDOOXCYCSN-SFHVURJKSA-N -1 1 413.817 3.877 20 5 HHBDMM Cc1cc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)ccc1Br ZINC000445214101 987281383 /nfs/dbraw/zinc/28/13/83/987281383.db2.gz PAJFXLFKOAQFPT-UHFFFAOYSA-N -1 1 420.263 3.786 20 5 HHBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1ccccc1Oc1ccccc1 ZINC000445324102 987381253 /nfs/dbraw/zinc/38/12/53/987381253.db2.gz WWQPLBZOIFNFBP-UHFFFAOYSA-N -1 1 405.370 3.946 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)cc1[N+](=O)[O-] ZINC000469951169 987572773 /nfs/dbraw/zinc/57/27/73/987572773.db2.gz WABTWZHZCDOHOH-UHFFFAOYSA-N -1 1 421.866 3.835 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c2ncccc12 ZINC000464223802 988338581 /nfs/dbraw/zinc/33/85/81/988338581.db2.gz OAMPDSJCQQMATG-HNNXBMFYSA-N -1 1 403.382 3.542 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3=CCCC3)cc2)cc1[N+](=O)[O-] ZINC000471173305 989300592 /nfs/dbraw/zinc/30/05/92/989300592.db2.gz NPOPOTMQWJHTLL-UHFFFAOYSA-N -1 1 401.444 3.753 20 5 HHBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C(F)(F)F)cs1 ZINC000466869443 992189713 /nfs/dbraw/zinc/18/97/13/992189713.db2.gz AGJORDSOWGXPKP-SECBINFHSA-N -1 1 413.374 3.639 20 5 HHBDMM CC(C)=CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000481013270 993855854 /nfs/dbraw/zinc/85/58/54/993855854.db2.gz ZMDMZHFNVKGHCK-UHFFFAOYSA-N -1 1 417.487 3.790 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000473773934 994694882 /nfs/dbraw/zinc/69/48/82/994694882.db2.gz PXIMQMAJDAZKRT-UHFFFAOYSA-N -1 1 404.366 3.954 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000484195789 996629440 /nfs/dbraw/zinc/62/94/40/996629440.db2.gz ULFJVQDCLZAXEM-UHFFFAOYSA-N -1 1 410.448 3.545 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(F)c1 ZINC000476389931 996838421 /nfs/dbraw/zinc/83/84/21/996838421.db2.gz HEPFVLUMFXRSEC-UHFFFAOYSA-N -1 1 417.418 3.817 20 5 HHBDMM Cc1ccc(Sc2ccc(/C=C\c3cc(=O)n4[n-]cnc4n3)cc2[N+](=O)[O-])cc1 ZINC000486121041 998569435 /nfs/dbraw/zinc/56/94/35/998569435.db2.gz AHMYCCCCPWJUET-XQRVVYSFSA-N -1 1 405.439 3.956 20 5 HHBDMM O=c1cc(/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)nc2nc[n-]n21 ZINC000486174635 998619931 /nfs/dbraw/zinc/61/99/31/998619931.db2.gz XURGZKHDZSDBFP-ALCCZGGFSA-N -1 1 409.789 3.942 20 5 HHBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1F ZINC000478078425 998751144 /nfs/dbraw/zinc/75/11/44/998751144.db2.gz DARWNQMHJZRPSA-UHFFFAOYSA-N -1 1 402.256 3.513 20 5 HHBDMM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1F ZINC000478105362 998762191 /nfs/dbraw/zinc/76/21/91/998762191.db2.gz XPIQFEZBUNTBNS-UHFFFAOYSA-N -1 1 415.146 3.674 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000486842952 998968634 /nfs/dbraw/zinc/96/86/34/998968634.db2.gz RCTBXUHINSRQSK-LURJTMIESA-N -1 1 415.802 3.763 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)cs1 ZINC000486845867 998970103 /nfs/dbraw/zinc/97/01/03/998970103.db2.gz XECSOQKFLRSXAM-ZCFIWIBFSA-N -1 1 415.802 3.763 20 5 HHBDMM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000488296713 999427630 /nfs/dbraw/zinc/42/76/30/999427630.db2.gz NNGDALRRXKUADV-UHFFFAOYSA-N -1 1 418.830 3.986 20 5 HHBDMM CSC[C@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000488947981 999654937 /nfs/dbraw/zinc/65/49/37/999654937.db2.gz YAINYSBNPXGRCT-HNNXBMFYSA-N -1 1 421.544 3.975 20 5 HHBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c(C)c([N+](=O)[O-])c1 ZINC000489746708 999829902 /nfs/dbraw/zinc/82/99/02/999829902.db2.gz PZYUSWXHMLCJNR-UHFFFAOYSA-N -1 1 423.381 3.532 20 5 HHBDMM COc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)s2)cc1 ZINC000489992243 999874355 /nfs/dbraw/zinc/87/43/55/999874355.db2.gz ZATIRPDTURKTER-UHFFFAOYSA-N -1 1 422.369 3.976 20 5 HHBDMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2ccccc2Cl)on1 ZINC000490402653 999952065 /nfs/dbraw/zinc/95/20/65/999952065.db2.gz VHQWGBFGALCPND-UHFFFAOYSA-N -1 1 410.777 3.941 20 5 HHBDMM Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(SCCC(=O)[O-])c1 ZINC000491571588 1000084411 /nfs/dbraw/zinc/08/44/11/1000084411.db2.gz FXCXUFDPJOQJJW-UHFFFAOYSA-N -1 1 424.500 3.888 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-] ZINC000491582730 1000085817 /nfs/dbraw/zinc/08/58/17/1000085817.db2.gz BMTMIYLRHKKKMD-QGZVFWFLSA-N -1 1 406.460 3.570 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1C ZINC000508074094 1002596496 /nfs/dbraw/zinc/59/64/96/1002596496.db2.gz NRHCAAUCSHHXOK-UHFFFAOYSA-N -1 1 420.672 3.823 20 5 HHBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc2[nH]ncc21 ZINC000499263859 1002666193 /nfs/dbraw/zinc/66/61/93/1002666193.db2.gz LKACGYIFRMYGPD-UHFFFAOYSA-N -1 1 400.338 3.599 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1C ZINC000500301465 1003608839 /nfs/dbraw/zinc/60/88/39/1003608839.db2.gz HHWLNOWBVHLKGA-UHFFFAOYSA-N -1 1 417.487 3.502 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c(F)c1 ZINC000500474009 1003736693 /nfs/dbraw/zinc/73/66/93/1003736693.db2.gz GHQWLFBFVFOTMJ-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)cc1[N+](=O)[O-] ZINC000509393045 1003823693 /nfs/dbraw/zinc/82/36/93/1003823693.db2.gz WJZHSAHENQHJPM-UHFFFAOYSA-N -1 1 413.455 3.698 20 5 HHBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509529411 1003925642 /nfs/dbraw/zinc/92/56/42/1003925642.db2.gz NDPPIMVIWWZWTN-UHFFFAOYSA-N -1 1 407.430 3.649 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](COc2ccccc2F)c2ccccc2)s1 ZINC000512762813 1004544749 /nfs/dbraw/zinc/54/47/49/1004544749.db2.gz FTTADAOMWQZKNE-HNNXBMFYSA-N -1 1 422.459 3.894 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000512991341 1004748349 /nfs/dbraw/zinc/74/83/49/1004748349.db2.gz JPNNEQRWAXQYNC-BBRMVZONSA-N -1 1 410.879 3.694 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)s1 ZINC000503220812 1005371069 /nfs/dbraw/zinc/37/10/69/1005371069.db2.gz IZETVNGRFPWFFG-HNNXBMFYSA-N -1 1 423.903 3.967 20 5 HHBDMM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000503295241 1005385384 /nfs/dbraw/zinc/38/53/84/1005385384.db2.gz HUFHGJRYLOADFU-GJZGRUSLSA-N -1 1 405.476 3.623 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000531126610 1006007283 /nfs/dbraw/zinc/00/72/83/1006007283.db2.gz RGXOROBCIIKEJV-UHFFFAOYSA-N -1 1 414.399 3.541 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2ccc(F)cc2F)CC1 ZINC000534164930 1006148908 /nfs/dbraw/zinc/14/89/08/1006148908.db2.gz VWBKBEWJHZELSU-UHFFFAOYSA-N -1 1 402.806 3.537 20 5 HHBDMM CC(C)OC1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000531392753 1006169802 /nfs/dbraw/zinc/16/98/02/1006169802.db2.gz WELWCFWKEKLQOD-UHFFFAOYSA-N -1 1 419.503 3.789 20 5 HHBDMM Cc1c([N-]S(=O)(=O)CCc2cccs2)cc(Br)cc1[N+](=O)[O-] ZINC000514979774 1006234784 /nfs/dbraw/zinc/23/47/84/1006234784.db2.gz MLEXWCCJJRDHEI-UHFFFAOYSA-N -1 1 405.295 3.712 20 5 HHBDMM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2[O-])cc1OC ZINC000535414442 1007483102 /nfs/dbraw/zinc/48/31/02/1007483102.db2.gz OXFKZVHXVORCDS-UHFFFAOYSA-N -1 1 411.208 3.723 20 5 HHBDMM Cc1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[n-]c(=O)c1C ZINC000539619109 1007933818 /nfs/dbraw/zinc/93/38/18/1007933818.db2.gz ZULXFPYMRFVFRG-UHFFFAOYSA-N -1 1 417.472 3.562 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1NC(=O)C(C)(C)C ZINC000518389226 1008285439 /nfs/dbraw/zinc/28/54/39/1008285439.db2.gz JQUCSLDGRVXVGB-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM CSC[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000519513855 1008888361 /nfs/dbraw/zinc/88/83/61/1008888361.db2.gz ZVHXXWWMIHIZSA-ZDUSSCGKSA-N -1 1 423.516 3.642 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000543658699 1009266021 /nfs/dbraw/zinc/26/60/21/1009266021.db2.gz OVTIQMJGMWJZFU-UHFFFAOYSA-N -1 1 408.476 3.566 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000544640069 1010265129 /nfs/dbraw/zinc/26/51/29/1010265129.db2.gz MYKMJCDTBVXUIQ-KRWDZBQOSA-N -1 1 406.460 3.570 20 5 HHBDMM O=C([O-])c1c(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000548557716 1010664883 /nfs/dbraw/zinc/66/48/83/1010664883.db2.gz NDPCSVKFAHBXCN-UHFFFAOYSA-N -1 1 424.740 3.766 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000536901661 1012161528 /nfs/dbraw/zinc/16/15/28/1012161528.db2.gz VAYHNZOHWKJWIH-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537439062 1012928703 /nfs/dbraw/zinc/92/87/03/1012928703.db2.gz FPZYTRWFOBQARP-UONOGXRCSA-N -1 1 415.393 3.623 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Br ZINC000729666775 1071782412 /nfs/dbraw/zinc/78/24/12/1071782412.db2.gz ZPWGUHMCWPEMDC-UHFFFAOYSA-N -1 1 411.155 3.575 20 5 HHBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C1(CO)CCCC1 ZINC001212088287 1072073144 /nfs/dbraw/zinc/07/31/44/1072073144.db2.gz LGSCZAHDSFLPAG-GOSISDBHSA-N -1 1 424.906 3.821 20 5 HHBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[nH]n1 ZINC000760321539 1072246604 /nfs/dbraw/zinc/24/66/04/1072246604.db2.gz GUKIFPKWUVPUGD-VIFPVBQESA-N -1 1 417.285 3.785 20 5 HHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[nH]n1 ZINC000760322593 1072248190 /nfs/dbraw/zinc/24/81/90/1072248190.db2.gz KLKGESXHYFIZFV-SECBINFHSA-N -1 1 417.285 3.785 20 5 HHBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000588853875 1073308264 /nfs/dbraw/zinc/30/82/64/1073308264.db2.gz DNICFDDDQQQKHR-JTQLQIEISA-N -1 1 420.365 3.739 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-] ZINC000573952651 1074753920 /nfs/dbraw/zinc/75/39/20/1074753920.db2.gz QLEJSJBDYDUUJU-UHFFFAOYSA-N -1 1 401.400 3.592 20 5 HHBDMM C[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000301285619 970849397 /nfs/dbraw/zinc/84/93/97/970849397.db2.gz OEIPFYNLURQWAW-VHSXEESVSA-N -1 1 404.345 3.723 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC[C@H](O)c1ccsc1 ZINC000301388157 970901036 /nfs/dbraw/zinc/90/10/36/970901036.db2.gz XBFATMOJZDVBNI-SFHVURJKSA-N -1 1 419.484 3.603 20 5 HHBDMM CO[C@@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301432765 970925219 /nfs/dbraw/zinc/92/52/19/970925219.db2.gz GLTRQDHIQWUTEL-PKOBYXMFSA-N -1 1 405.476 3.765 20 5 HHBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(OCc3cccnc3)c2)s1 ZINC000302152483 971189316 /nfs/dbraw/zinc/18/93/16/971189316.db2.gz HYSKMEHVFQTPTL-UHFFFAOYSA-N -1 1 405.457 3.777 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC1(c2ccccn2)CC1 ZINC000302870870 971365479 /nfs/dbraw/zinc/36/54/79/971365479.db2.gz YREOJSBGNOIMBB-UHFFFAOYSA-N -1 1 424.482 3.934 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Br)c(F)c1 ZINC000303041207 971472680 /nfs/dbraw/zinc/47/26/80/971472680.db2.gz ZYJLNPGBZQSCAA-UHFFFAOYSA-N -1 1 423.647 3.628 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCOc1ccccc1 ZINC000008053091 961410610 /nfs/dbraw/zinc/41/06/10/961410610.db2.gz NOYSAZPGAAWJLY-UHFFFAOYSA-N -1 1 413.455 3.887 20 5 HHBDMM Cc1ncc(CN(C)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])s1 ZINC000052447248 964912440 /nfs/dbraw/zinc/91/24/40/964912440.db2.gz VAUCGMIJWNCUBE-UHFFFAOYSA-N -1 1 418.500 3.797 20 5 HHBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC000055619795 965966420 /nfs/dbraw/zinc/96/64/20/965966420.db2.gz RCTBCBJSXADDMW-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000033508075 966409166 /nfs/dbraw/zinc/40/91/66/966409166.db2.gz WEBVSHMDXQYMMT-UHFFFAOYSA-N -1 1 419.806 3.851 20 5 HHBDMM Cc1ccc(-c2nnc([N-]C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)s2)c(C)c1 ZINC000065083988 967369482 /nfs/dbraw/zinc/36/94/82/967369482.db2.gz LXNSODZAYUQNSM-UHFFFAOYSA-N -1 1 412.427 3.754 20 5 HHBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000097548728 969156593 /nfs/dbraw/zinc/15/65/93/969156593.db2.gz LMRPJGAECSYNHC-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCOc2c(Cl)cccc21 ZINC000146992955 970315226 /nfs/dbraw/zinc/31/52/26/970315226.db2.gz MNGVJAJLPCOYFR-LBPRGKRZSA-N -1 1 403.243 3.704 20 5 HHBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000321286235 972688214 /nfs/dbraw/zinc/68/82/14/972688214.db2.gz HVWJYIHIUIQISQ-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)cc1[N+](=O)[O-] ZINC000325652049 972734317 /nfs/dbraw/zinc/73/43/17/972734317.db2.gz HNEUTCCHOXFGPS-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)c([N+](=O)[O-])c1 ZINC000326623641 972745883 /nfs/dbraw/zinc/74/58/83/972745883.db2.gz SAFMIMXIETZJGU-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM COc1ccc(Br)c(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000410335923 973915704 /nfs/dbraw/zinc/91/57/04/973915704.db2.gz YISPWZOJQDHDNW-UHFFFAOYSA-N -1 1 415.265 3.616 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccnn2C)ccc1C ZINC000410417841 974015987 /nfs/dbraw/zinc/01/59/87/974015987.db2.gz LVVBDNBEBVTRLD-UHFFFAOYSA-N -1 1 400.460 3.667 20 5 HHBDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000427804998 975299335 /nfs/dbraw/zinc/29/93/35/975299335.db2.gz NXKWIPNUOMIZGQ-GOSISDBHSA-N -1 1 402.428 3.573 20 5 HHBDMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc21 ZINC000432082891 978673307 /nfs/dbraw/zinc/67/33/07/978673307.db2.gz WPQZGMFXSBFKDY-UHFFFAOYSA-N -1 1 417.830 3.726 20 5 HHBDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2)n1 ZINC000432210171 978715156 /nfs/dbraw/zinc/71/51/56/978715156.db2.gz KMHYYJOCVJRDJY-UHFFFAOYSA-N -1 1 416.459 3.933 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000437314527 981965886 /nfs/dbraw/zinc/96/58/86/981965886.db2.gz ISEAYVVNNTXQHQ-ZJUUUORDSA-N -1 1 400.806 3.895 20 5 HHBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c1[N+](=O)[O-] ZINC000461112953 982803177 /nfs/dbraw/zinc/80/31/77/982803177.db2.gz NZNPPTJKXMGWSU-RUZDIDTESA-N -1 1 416.908 3.544 20 5 HHBDMM COC(=O)c1cc([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c(F)cc1F ZINC000439262737 983337590 /nfs/dbraw/zinc/33/75/90/983337590.db2.gz ZCKUTLVSBXSTFM-UHFFFAOYSA-N -1 1 413.336 3.974 20 5 HHBDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)n1 ZINC000441759856 984435105 /nfs/dbraw/zinc/43/51/05/984435105.db2.gz CIAPSCTWZUUDFS-UHFFFAOYSA-N -1 1 414.443 3.903 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Br)cc3)C2)s1 ZINC000462150213 985121967 /nfs/dbraw/zinc/12/19/67/985121967.db2.gz LFTSQIOSPTVUHU-UMSPYCQHSA-N -1 1 417.306 3.643 20 5 HHBDMM Cc1cc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(C)c1OCC(F)(F)F ZINC000445172902 987258315 /nfs/dbraw/zinc/25/83/15/987258315.db2.gz LZWKVGYYQVPJHM-UHFFFAOYSA-N -1 1 413.352 3.526 20 5 HHBDMM CCCOc1ccccc1Oc1ncccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445177837 987261399 /nfs/dbraw/zinc/26/13/99/987261399.db2.gz ILBPWUQHCRWRGQ-UHFFFAOYSA-N -1 1 424.413 3.602 20 5 HHBDMM COc1cc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000445179842 987262197 /nfs/dbraw/zinc/26/21/97/987262197.db2.gz JVIINLNDUZLAFL-CQSZACIVSA-N -1 1 423.425 3.774 20 5 HHBDMM CCCOc1ccc(Oc2ncccc2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445181327 987263106 /nfs/dbraw/zinc/26/31/06/987263106.db2.gz BSGDJNGULXSJDA-UHFFFAOYSA-N -1 1 424.413 3.602 20 5 HHBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000445199308 987272859 /nfs/dbraw/zinc/27/28/59/987272859.db2.gz XTWZRJLCGCJLAY-CYBMUJFWSA-N -1 1 411.389 3.905 20 5 HHBDMM Cc1nccn1-c1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000465493151 989841694 /nfs/dbraw/zinc/84/16/94/989841694.db2.gz RYSICXHMYIEWTN-LBPRGKRZSA-N -1 1 420.878 3.782 20 5 HHBDMM COC[C@H]1CCCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000466619598 991935360 /nfs/dbraw/zinc/93/53/60/991935360.db2.gz QJPSNRIKRIMKQF-INIZCTEOSA-N -1 1 419.503 3.649 20 5 HHBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000466860336 992179916 /nfs/dbraw/zinc/17/99/16/992179916.db2.gz YXSSRSMZPQWBBR-SECBINFHSA-N -1 1 409.411 3.808 20 5 HHBDMM Cc1c(=O)[n-]c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc1-c1ccccc1 ZINC000467203705 992529045 /nfs/dbraw/zinc/52/90/45/992529045.db2.gz XGQXNAHKTNPYFC-UHFFFAOYSA-N -1 1 422.466 3.747 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C=CCCC3)cc2)cc1[N+](=O)[O-] ZINC000467276027 992597483 /nfs/dbraw/zinc/59/74/83/992597483.db2.gz WUSJXJZCHYBYDA-MRXNPFEDSA-N -1 1 415.471 3.543 20 5 HHBDMM CO[C@@]1(C)CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000480829510 993705307 /nfs/dbraw/zinc/70/53/07/993705307.db2.gz QIGNKMIAHNWAFS-FQEVSTJZSA-N -1 1 419.503 3.791 20 5 HHBDMM Cc1ccncc1CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000480844737 993718577 /nfs/dbraw/zinc/71/85/77/993718577.db2.gz PGIQVXRIBNDGHV-UHFFFAOYSA-N -1 1 412.471 3.735 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@@H]3C(C)C)cc2)cc1[N+](=O)[O-] ZINC000475320635 996068531 /nfs/dbraw/zinc/06/85/31/996068531.db2.gz VBXABZVTYYFJPG-QZTJIDSGSA-N -1 1 417.487 3.935 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1Br ZINC000476350383 996771954 /nfs/dbraw/zinc/77/19/54/996771954.db2.gz OAPRIEVJJOBXRT-UHFFFAOYSA-N -1 1 415.265 3.865 20 5 HHBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000477126737 997782136 /nfs/dbraw/zinc/78/21/36/997782136.db2.gz OYJMJUSSMXCITP-UHFFFAOYSA-N -1 1 403.192 3.705 20 5 HHBDMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000477274609 997953373 /nfs/dbraw/zinc/95/33/73/997953373.db2.gz FZBXGXVKDNWIDH-UHFFFAOYSA-N -1 1 409.427 3.642 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1Br ZINC000487249071 999112144 /nfs/dbraw/zinc/11/21/44/999112144.db2.gz GOYXIVXIGWYOGI-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCOc2c(F)cccc21 ZINC000479919672 999649141 /nfs/dbraw/zinc/64/91/41/999649141.db2.gz PMNUMEOJBKTBIQ-CYBMUJFWSA-N -1 1 400.815 3.580 20 5 HHBDMM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480619291 999842522 /nfs/dbraw/zinc/84/25/22/999842522.db2.gz ZDPALDANBGMSIA-OAHLLOKOSA-N -1 1 412.895 3.564 20 5 HHBDMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)o1 ZINC000491578581 1000085382 /nfs/dbraw/zinc/08/53/82/1000085382.db2.gz IFOXVSVLFXRFJC-UHFFFAOYSA-N -1 1 402.432 3.625 20 5 HHBDMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491587470 1000086475 /nfs/dbraw/zinc/08/64/75/1000086475.db2.gz YOAYOBUBIDOFAK-UHFFFAOYSA-N -1 1 405.476 3.915 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000491609509 1000090033 /nfs/dbraw/zinc/09/00/33/1000090033.db2.gz IEKSPFWNLBOHJX-UHFFFAOYSA-N -1 1 424.438 3.948 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000492977441 1000152324 /nfs/dbraw/zinc/15/23/24/1000152324.db2.gz SQPZTKHLAOSFNW-IYBDPMFKSA-N -1 1 419.503 3.626 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000497956589 1001578978 /nfs/dbraw/zinc/57/89/78/1001578978.db2.gz CWLRGJZNGMFQLI-SFHVURJKSA-N -1 1 421.837 3.850 20 5 HHBDMM CCOC(=O)c1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)cc([N+](=O)[O-])c1 ZINC000497984733 1001591018 /nfs/dbraw/zinc/59/10/18/1001591018.db2.gz MBMZWTFWJJZLCY-UHFFFAOYSA-N -1 1 404.429 3.604 20 5 HHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1OC[C@@H]1CCCCO1 ZINC000499154248 1002537695 /nfs/dbraw/zinc/53/76/95/1002537695.db2.gz IWOZPWWPXUMAJS-KRWDZBQOSA-N -1 1 420.487 3.527 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000508126766 1002657386 /nfs/dbraw/zinc/65/73/86/1002657386.db2.gz VXHKRQJCZAMWGQ-INIZCTEOSA-N -1 1 413.377 3.966 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c2ncccc12 ZINC000509396097 1003826136 /nfs/dbraw/zinc/82/61/36/1003826136.db2.gz HMPDLABBERPSHG-UHFFFAOYSA-N -1 1 413.333 3.684 20 5 HHBDMM CC[C@H](C)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000512124530 1004039759 /nfs/dbraw/zinc/03/97/59/1004039759.db2.gz SLWDATUVZXKHHM-ZFWWWQNUSA-N -1 1 419.503 3.868 20 5 HHBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510411835 1004547777 /nfs/dbraw/zinc/54/77/77/1004547777.db2.gz KKGVOIXQULCFNL-ZDUSSCGKSA-N -1 1 414.867 3.695 20 5 HHBDMM C[C@@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512778211 1004554240 /nfs/dbraw/zinc/55/42/40/1004554240.db2.gz DKOBTKZIKXTFIA-JTQLQIEISA-N -1 1 419.322 3.718 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000512991342 1004748281 /nfs/dbraw/zinc/74/82/81/1004748281.db2.gz JPNNEQRWAXQYNC-CJNGLKHVSA-N -1 1 410.879 3.694 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000531582631 1006284975 /nfs/dbraw/zinc/28/49/75/1006284975.db2.gz XJPMWXLOOAQINM-UHFFFAOYSA-N -1 1 414.399 3.541 20 5 HHBDMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531993012 1006565982 /nfs/dbraw/zinc/56/59/82/1006565982.db2.gz VEDLNLBFDZTCKA-UHFFFAOYSA-N -1 1 418.818 3.790 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000532854378 1007243399 /nfs/dbraw/zinc/24/33/99/1007243399.db2.gz GWKJJDYJPAYEIO-MRXNPFEDSA-N -1 1 412.899 3.674 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])cc1[N+](=O)[O-] ZINC000517346700 1007585604 /nfs/dbraw/zinc/58/56/04/1007585604.db2.gz XXEUQBQAWYIOLU-UHFFFAOYSA-N -1 1 409.807 3.537 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(OCC(F)(F)F)cc1 ZINC000517909962 1008052128 /nfs/dbraw/zinc/05/21/28/1008052128.db2.gz WDLQWZDVUPRPGN-UHFFFAOYSA-N -1 1 424.784 3.668 20 5 HHBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])ccc12 ZINC000539855167 1008143128 /nfs/dbraw/zinc/14/31/28/1008143128.db2.gz FYFUOLUNGRTUAU-UHFFFAOYSA-N -1 1 401.231 3.887 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000540321897 1008379435 /nfs/dbraw/zinc/37/94/35/1008379435.db2.gz ZDTIUKILNRBUTN-ZFWWWQNUSA-N -1 1 417.270 3.710 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000549524923 1009134717 /nfs/dbraw/zinc/13/47/17/1009134717.db2.gz QVNYXHGXRYSVKW-NSHDSACASA-N -1 1 424.841 3.613 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)c1 ZINC000544641567 1010266551 /nfs/dbraw/zinc/26/65/51/1010266551.db2.gz LQXWZHUCKRZJFD-UHFFFAOYSA-N -1 1 417.487 3.557 20 5 HHBDMM CCOc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000544742727 1010347653 /nfs/dbraw/zinc/34/76/53/1010347653.db2.gz OHVJTFLTEMRYJM-UHFFFAOYSA-N -1 1 404.366 3.954 20 5 HHBDMM Cc1ccc(CNC(=O)c2cccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)c2)cc1 ZINC000544948259 1010512741 /nfs/dbraw/zinc/51/27/41/1010512741.db2.gz JQLMBRZDFIKVGT-UHFFFAOYSA-N -1 1 403.398 3.878 20 5 HHBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1C(F)(F)F ZINC000541073025 1011712307 /nfs/dbraw/zinc/71/23/07/1011712307.db2.gz LZTHBBHNGCCSGU-UHFFFAOYSA-N -1 1 402.350 3.739 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1F ZINC000760364479 1072293197 /nfs/dbraw/zinc/29/31/97/1072293197.db2.gz AXBQBBCNUWOVFL-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM CCc1noc(C)c1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000555206973 1073258627 /nfs/dbraw/zinc/25/86/27/1073258627.db2.gz FHNXOUOFKBMUNQ-UHFFFAOYSA-N -1 1 416.459 3.867 20 5 HHBDMM Cc1sc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nc1-c1ccccc1 ZINC000760591838 1074088301 /nfs/dbraw/zinc/08/83/01/1074088301.db2.gz HFYBGZQGBVFWLW-UHFFFAOYSA-N -1 1 421.475 3.687 20 5 HHBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000591596826 1074434258 /nfs/dbraw/zinc/43/42/58/1074434258.db2.gz STZZPJJCNQTJGY-UHFFFAOYSA-N -1 1 423.469 3.636 20 5 HHBDMM COc1ccc(Cn2ccc([N-]c3ncc([N+](=O)[O-])cc3Br)n2)cc1 ZINC000302381377 971229612 /nfs/dbraw/zinc/22/96/12/971229612.db2.gz GSYQSXPVQALGIE-UHFFFAOYSA-N -1 1 404.224 3.749 20 5 HHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000014097607 962421303 /nfs/dbraw/zinc/42/13/03/962421303.db2.gz ULIJPIWQNSCSAB-UHFFFAOYSA-N -1 1 404.231 3.661 20 5 HHBDMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000056248652 966273126 /nfs/dbraw/zinc/27/31/26/966273126.db2.gz BCFVLVYRDDIZAR-UHFFFAOYSA-N -1 1 405.779 3.927 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOc2ccc(Cl)cc2Cl)s1 ZINC000063310963 966811496 /nfs/dbraw/zinc/81/14/96/966811496.db2.gz VFMCJWTUZLTPGO-UHFFFAOYSA-N -1 1 411.288 3.711 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000554278979 1013890720 /nfs/dbraw/zinc/89/07/20/1013890720.db2.gz CVYULESFWFFMFF-UHFFFAOYSA-N -1 1 421.475 3.697 20 5 HHBDMM O=C([O-])c1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000237988550 970411730 /nfs/dbraw/zinc/41/17/30/970411730.db2.gz PELDPHBGHNJPEK-FQEVSTJZSA-N -1 1 416.393 3.689 20 5 HHBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1occc1CS(=O)(=O)c1ccccc1 ZINC000247304485 970470393 /nfs/dbraw/zinc/47/03/93/970470393.db2.gz GAPCIUVTUSAYEP-UHFFFAOYSA-N -1 1 404.375 3.553 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c([N+](=O)[O-])c1 ZINC000323426763 972710840 /nfs/dbraw/zinc/71/08/40/972710840.db2.gz PQOQBTZWUKZPTA-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c([N+](=O)[O-])c1 ZINC000325437716 972731603 /nfs/dbraw/zinc/73/16/03/972731603.db2.gz TZJJYXRZIUIBJY-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1c[nH]c2ccc(F)cc12 ZINC000409904181 973366093 /nfs/dbraw/zinc/36/60/93/973366093.db2.gz KYFSUPQDDQANNT-UHFFFAOYSA-N -1 1 411.842 3.780 20 5 HHBDMM COc1ccc(Br)c(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000410350980 973939471 /nfs/dbraw/zinc/93/94/71/973939471.db2.gz GMAUCJFTBRRKNR-UHFFFAOYSA-N -1 1 415.265 3.616 20 5 HHBDMM CCOC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427109704 974910896 /nfs/dbraw/zinc/91/08/96/974910896.db2.gz VXSXLSJEIXIPOY-UHFFFAOYSA-N -1 1 414.443 3.969 20 5 HHBDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000428694561 975984344 /nfs/dbraw/zinc/98/43/44/975984344.db2.gz BWBPNKSWIALTHY-UHFFFAOYSA-N -1 1 417.472 3.507 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)ccc1[N+](=O)[O-] ZINC000430355138 977498150 /nfs/dbraw/zinc/49/81/50/977498150.db2.gz OTYLVWJJHYZXSA-UHFFFAOYSA-N -1 1 412.851 3.771 20 5 HHBDMM Cc1sc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)cc1[N+](=O)[O-] ZINC000432579238 978897736 /nfs/dbraw/zinc/89/77/36/978897736.db2.gz OAYNSGKCZOKJGF-ZDUSSCGKSA-N -1 1 400.485 4.537 20 5 HHBDMM CCc1ccnc(CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000435599709 980956418 /nfs/dbraw/zinc/95/64/18/980956418.db2.gz VKGWBUDDCAHFNM-UHFFFAOYSA-N -1 1 412.471 3.965 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000435967725 981120746 /nfs/dbraw/zinc/12/07/46/981120746.db2.gz UOOUYBFTDPZKMH-CYBMUJFWSA-N -1 1 410.199 3.574 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000460701762 982462713 /nfs/dbraw/zinc/46/27/13/982462713.db2.gz WHYZLDMHCLOUJR-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000460830413 982580936 /nfs/dbraw/zinc/58/09/36/982580936.db2.gz RGYYOUPNVZYCAP-UHFFFAOYSA-N -1 1 410.423 3.865 20 5 HHBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)n[nH]1 ZINC000468607514 986321167 /nfs/dbraw/zinc/32/11/67/986321167.db2.gz KICGOHCKWYUKKI-UHFFFAOYSA-N -1 1 402.432 3.836 20 5 HHBDMM C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445013164 987145406 /nfs/dbraw/zinc/14/54/06/987145406.db2.gz TVOJUEHSOMUVTM-XLKFXECMSA-N -1 1 424.276 3.671 20 5 HHBDMM O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445154673 987244827 /nfs/dbraw/zinc/24/48/27/987244827.db2.gz ANUOBRYHJPGBLW-NSHDSACASA-N -1 1 409.242 3.748 20 5 HHBDMM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000445184836 987265156 /nfs/dbraw/zinc/26/51/56/987265156.db2.gz PSGXPLATXUREBU-UHFFFAOYSA-N -1 1 402.251 3.647 20 5 HHBDMM COc1cc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000445185540 987266054 /nfs/dbraw/zinc/26/60/54/987266054.db2.gz QGSYWQMLILZOCR-CYBMUJFWSA-N -1 1 403.435 3.620 20 5 HHBDMM C[C@@H](CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccc(Cl)c(Cl)c1 ZINC000470726491 988755675 /nfs/dbraw/zinc/75/56/75/988755675.db2.gz NIIOOXXCDZBPEO-VIFPVBQESA-N -1 1 400.218 3.542 20 5 HHBDMM Cc1nc(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000471047135 989126035 /nfs/dbraw/zinc/12/60/35/989126035.db2.gz LBYMNKSJDRYKSH-UHFFFAOYSA-N -1 1 412.471 3.735 20 5 HHBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3cccs3)c2)ccc1[N+](=O)[O-] ZINC000471113936 989216852 /nfs/dbraw/zinc/21/68/52/989216852.db2.gz CSFUOTIPJCBDPU-UHFFFAOYSA-N -1 1 404.425 3.822 20 5 HHBDMM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])co2)cc1 ZINC000466920626 992233639 /nfs/dbraw/zinc/23/36/39/992233639.db2.gz RFFPJNADUDFNKJ-UHFFFAOYSA-N -1 1 401.444 3.654 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000467408387 992713874 /nfs/dbraw/zinc/71/38/74/992713874.db2.gz QOBHAVFHXODGBR-UHFFFAOYSA-N -1 1 402.432 3.548 20 5 HHBDMM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000467795164 993030268 /nfs/dbraw/zinc/03/02/68/993030268.db2.gz BLNLMWKASAJPAK-NVXWUHKLSA-N -1 1 410.879 3.755 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(CCOCc2ccccc2)CC1 ZINC000472637022 993576437 /nfs/dbraw/zinc/57/64/37/993576437.db2.gz HYZGFQBVKBULJD-UHFFFAOYSA-N -1 1 424.906 3.914 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1C ZINC000481564579 994399029 /nfs/dbraw/zinc/39/90/29/994399029.db2.gz GIHMDVVRQPZBNM-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM Cc1cc(Br)c([O-])c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000482541781 995549330 /nfs/dbraw/zinc/54/93/30/995549330.db2.gz ZXMDSHSQHQCDKJ-UHFFFAOYSA-N -1 1 404.220 3.965 20 5 HHBDMM COc1ccc(Sc2nsc([N-]C(=O)c3cccc([N+](=O)[O-])c3OC)n2)cc1 ZINC000483732777 996355647 /nfs/dbraw/zinc/35/56/47/996355647.db2.gz UYLARVHQYFRPHF-UHFFFAOYSA-N -1 1 418.456 3.867 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c(Cl)c1 ZINC000484792964 997144275 /nfs/dbraw/zinc/14/42/75/997144275.db2.gz ZCMYEWLLWMVPAU-GXSJLCMTSA-N -1 1 400.806 3.895 20 5 HHBDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc([N+](=O)[O-])c1 ZINC000485215979 997590331 /nfs/dbraw/zinc/59/03/31/997590331.db2.gz YGYDFGWGFCJBST-UHFFFAOYSA-N -1 1 424.740 3.766 20 5 HHBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000485394563 997821984 /nfs/dbraw/zinc/82/19/84/997821984.db2.gz INCWOWSDKDZXIF-UHFFFAOYSA-N -1 1 415.265 3.865 20 5 HHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c(C)c([N+](=O)[O-])c1 ZINC000485998335 998442447 /nfs/dbraw/zinc/44/24/47/998442447.db2.gz CFSYSICYHDRABJ-UHFFFAOYSA-N -1 1 422.459 3.525 20 5 HHBDMM O=c1cc(/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)nc2nc[n-]n21 ZINC000486174636 998619893 /nfs/dbraw/zinc/61/98/93/998619893.db2.gz XURGZKHDZSDBFP-FNORWQNLSA-N -1 1 409.789 3.942 20 5 HHBDMM Cc1nc(-c2ccc(Br)cc2)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1C ZINC000486446560 998772826 /nfs/dbraw/zinc/77/28/26/998772826.db2.gz OATWBJJWBFJOGY-UHFFFAOYSA-N -1 1 404.224 3.647 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486573279 998835066 /nfs/dbraw/zinc/83/50/66/998835066.db2.gz IEEZTRISVHVWAJ-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CCOC2(CCC2)C1 ZINC000486912038 999002981 /nfs/dbraw/zinc/00/29/81/999002981.db2.gz IMSSDESBHSZVGB-MRXNPFEDSA-N -1 1 417.487 3.909 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000478695627 999092847 /nfs/dbraw/zinc/09/28/47/999092847.db2.gz KKFUUFIKYXMNRQ-UHFFFAOYSA-N -1 1 404.423 3.552 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)c([N+](=O)[O-])c1 ZINC000479295801 999371207 /nfs/dbraw/zinc/37/12/07/999371207.db2.gz MGIGQPPQQXVQRP-UHFFFAOYSA-N -1 1 413.864 3.976 20 5 HHBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000479572753 999484751 /nfs/dbraw/zinc/48/47/51/999484751.db2.gz HGYDSQVRZMQBPK-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480619290 999842619 /nfs/dbraw/zinc/84/26/19/999842619.db2.gz ZDPALDANBGMSIA-HNNXBMFYSA-N -1 1 412.895 3.564 20 5 HHBDMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491608912 1000090007 /nfs/dbraw/zinc/09/00/07/1000090007.db2.gz CHOJAUOSTFWWAT-UHFFFAOYSA-N -1 1 417.487 3.557 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)cs1 ZINC000500446904 1003724152 /nfs/dbraw/zinc/72/41/52/1003724152.db2.gz IIEZABJMAQHULY-LLVKDONJSA-N -1 1 407.448 3.897 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N(Cc1ccccn1)C1CC1 ZINC000501942527 1004822063 /nfs/dbraw/zinc/82/20/63/1004822063.db2.gz DGEYJEKDSJDZAN-UHFFFAOYSA-N -1 1 424.482 3.960 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccc(Cl)cc2)c2ccccn2)s1 ZINC000503220813 1005371132 /nfs/dbraw/zinc/37/11/32/1005371132.db2.gz IZETVNGRFPWFFG-OAHLLOKOSA-N -1 1 423.903 3.967 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000531364667 1006151622 /nfs/dbraw/zinc/15/16/22/1006151622.db2.gz FUXLIJDEUMTPGE-UHFFFAOYSA-N -1 1 414.399 3.541 20 5 HHBDMM CCOc1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c([N+](=O)[O-])cc1OC ZINC000515459783 1006480463 /nfs/dbraw/zinc/48/04/63/1006480463.db2.gz PKJFUMFRVUSNJA-UHFFFAOYSA-N -1 1 406.445 3.834 20 5 HHBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2C)o1 ZINC000533228961 1007550515 /nfs/dbraw/zinc/55/05/15/1007550515.db2.gz QFTZDCGOMGFULO-UHFFFAOYSA-N -1 1 410.839 3.957 20 5 HHBDMM COc1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)ccc1Br ZINC000540211970 1008337901 /nfs/dbraw/zinc/33/79/01/1008337901.db2.gz FUFZTKPCJHVEKM-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000520038150 1009197173 /nfs/dbraw/zinc/19/71/73/1009197173.db2.gz JHTWMEGRKDQBDI-UHFFFAOYSA-N -1 1 404.366 3.899 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000544639797 1010265151 /nfs/dbraw/zinc/26/51/51/1010265151.db2.gz LYCOZDPGAPJBPN-KRWDZBQOSA-N -1 1 406.460 3.570 20 5 HHBDMM Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])n2)cc1 ZINC000544677865 1010293237 /nfs/dbraw/zinc/29/32/37/1010293237.db2.gz QFLGGORPTRWHID-UHFFFAOYSA-N -1 1 419.850 3.778 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000521414288 1010361664 /nfs/dbraw/zinc/36/16/64/1010361664.db2.gz AMPUZSDTLVSBGC-SFHVURJKSA-N -1 1 406.460 3.516 20 5 HHBDMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000545220149 1010689546 /nfs/dbraw/zinc/68/95/46/1010689546.db2.gz WDWLHWOPYIMQEC-UHFFFAOYSA-N -1 1 419.242 3.797 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c(Cl)c1 ZINC000536183971 1011319474 /nfs/dbraw/zinc/31/94/74/1011319474.db2.gz QHAMTLFXQVYILW-UHFFFAOYSA-N -1 1 402.766 3.863 20 5 HHBDMM O=C(COc1cccc([N+](=O)[O-])c1)Nc1c([O-])cc(Br)cc1Cl ZINC000552022606 1012051003 /nfs/dbraw/zinc/05/10/03/1012051003.db2.gz OGYFOMWMEMCYAP-UHFFFAOYSA-N -1 1 401.600 3.734 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541831989 1012718901 /nfs/dbraw/zinc/71/89/01/1012718901.db2.gz WLVNGUKFQWJRMZ-CJNGLKHVSA-N -1 1 414.842 3.586 20 5 HHBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1occc1CS(=O)(=O)c1ccccc1 ZINC000897587379 1072245971 /nfs/dbraw/zinc/24/59/71/1072245971.db2.gz OYIJLGQWWUVMGJ-UHFFFAOYSA-N -1 1 422.365 3.692 20 5 HHBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[nH]n1 ZINC000760321534 1072246651 /nfs/dbraw/zinc/24/66/51/1072246651.db2.gz GUKIFPKWUVPUGD-SECBINFHSA-N -1 1 417.285 3.785 20 5 HHBDMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000479123444 1072759567 /nfs/dbraw/zinc/75/95/67/1072759567.db2.gz JXTCOXGCEKZXJX-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000590397813 1073784485 /nfs/dbraw/zinc/78/44/85/1073784485.db2.gz GQJITZVVXQQXQD-UHFFFAOYSA-N -1 1 401.810 3.850 20 5 HHBDMM Cc1ccc(CN(C)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])nc1 ZINC000302698079 971283614 /nfs/dbraw/zinc/28/36/14/971283614.db2.gz UCUMWMTXASFRLT-UHFFFAOYSA-N -1 1 412.471 3.735 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCSCc1ccccc1F ZINC000302994945 971442864 /nfs/dbraw/zinc/44/28/64/971442864.db2.gz JYDJBUPUHTXOGK-UHFFFAOYSA-N -1 1 404.872 3.599 20 5 HHBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)cc([N+](=O)[O-])c1 ZINC000303658981 971937835 /nfs/dbraw/zinc/93/78/35/971937835.db2.gz APHYKVRNJZGNNV-UHFFFAOYSA-N -1 1 401.762 3.942 20 5 HHBDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000542219694 1013171406 /nfs/dbraw/zinc/17/14/06/1013171406.db2.gz MVHOMQBURGIVAC-UHFFFAOYSA-N -1 1 400.460 3.521 20 5 HHBDMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000015409110 962750520 /nfs/dbraw/zinc/75/05/20/962750520.db2.gz XPBIWXBOYPAUNE-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000022879844 963732437 /nfs/dbraw/zinc/73/24/37/963732437.db2.gz OKYNRZVUAHRTCT-UHFFFAOYSA-N -1 1 420.171 3.526 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)c1 ZINC000542714339 1013626780 /nfs/dbraw/zinc/62/67/80/1013626780.db2.gz ZRFAPOGDKXPSEQ-UHFFFAOYSA-N -1 1 423.454 3.722 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000032097467 966193733 /nfs/dbraw/zinc/19/37/33/966193733.db2.gz BZYLGZLJSQZBTC-UHFFFAOYSA-N -1 1 405.432 3.843 20 5 HHBDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000065223734 967410800 /nfs/dbraw/zinc/41/08/00/967410800.db2.gz UBMQDDCGLLHDQG-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000542930853 1013765734 /nfs/dbraw/zinc/76/57/34/1013765734.db2.gz VZFDHWTYFSTHBO-UHFFFAOYSA-N -1 1 414.439 3.983 20 5 HHBDMM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000097570421 969164794 /nfs/dbraw/zinc/16/47/94/969164794.db2.gz UFENHHOMYLGYFG-UHFFFAOYSA-N -1 1 407.883 3.857 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)c1C ZINC000110899823 969737575 /nfs/dbraw/zinc/73/75/75/969737575.db2.gz YUWLHYUIPGSLNY-UHFFFAOYSA-N -1 1 409.489 3.786 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(OC(F)(F)F)cc1 ZINC000195669223 969944806 /nfs/dbraw/zinc/94/48/06/969944806.db2.gz VRVAMGXXTFYJTC-UHFFFAOYSA-N -1 1 410.757 3.625 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccccn1 ZINC000146515434 970294400 /nfs/dbraw/zinc/29/44/00/970294400.db2.gz RKSIQMPERKPKFE-QGZVFWFLSA-N -1 1 403.847 3.711 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000146593327 970300028 /nfs/dbraw/zinc/30/00/28/970300028.db2.gz IJPGKHOEHAWYLH-LBPRGKRZSA-N -1 1 402.856 3.903 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000146817633 970309860 /nfs/dbraw/zinc/30/98/60/970309860.db2.gz QUVFJDXQGYXQLV-SECBINFHSA-N -1 1 406.794 3.889 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000303965119 972550619 /nfs/dbraw/zinc/55/06/19/972550619.db2.gz PPGQBURBXHQTRB-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)c1C ZINC000410416741 974015318 /nfs/dbraw/zinc/01/53/18/974015318.db2.gz HSSFTMXXQJORJH-UHFFFAOYSA-N -1 1 400.460 3.721 20 5 HHBDMM CCCc1[nH]nc(C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)c1[N+](=O)[O-] ZINC000427671196 975232770 /nfs/dbraw/zinc/23/27/70/975232770.db2.gz HYBYRUHPJYXBIU-UHFFFAOYSA-N -1 1 410.184 3.533 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cc1C ZINC000432964800 979027273 /nfs/dbraw/zinc/02/72/73/979027273.db2.gz BWUTWTQONWDZGM-HNNXBMFYSA-N -1 1 406.357 3.775 20 5 HHBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(-c2cc(C)c(C)cc2C)n[nH]1 ZINC000434969596 980539789 /nfs/dbraw/zinc/53/97/89/980539789.db2.gz RWGHWBRVQWOFGE-UHFFFAOYSA-N -1 1 416.459 3.720 20 5 HHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000435721382 981002278 /nfs/dbraw/zinc/00/22/78/981002278.db2.gz CDJBIVVAMVNHIU-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM CCc1cc(=O)[n-]c(SCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])n1 ZINC000436204322 981248303 /nfs/dbraw/zinc/24/83/03/981248303.db2.gz AQKZFVUFQIWLAU-UHFFFAOYSA-N -1 1 401.391 3.598 20 5 HHBDMM COc1cc(CSc2nc(C3CC3)cc(=O)[n-]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000436245175 981266671 /nfs/dbraw/zinc/26/66/71/981266671.db2.gz MAUSYKGUYKHPGU-UHFFFAOYSA-N -1 1 413.402 3.913 20 5 HHBDMM CCOc1cc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000436885893 981601509 /nfs/dbraw/zinc/60/15/09/981601509.db2.gz FRDGKCKGWHSLGW-UHFFFAOYSA-N -1 1 421.453 3.815 20 5 HHBDMM CN1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436986489 981669583 /nfs/dbraw/zinc/66/95/83/981669583.db2.gz JTXIEAGUPIPSJC-UGSOOPFHSA-N -1 1 407.829 3.516 20 5 HHBDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000438725252 983027333 /nfs/dbraw/zinc/02/73/33/983027333.db2.gz PUEYRMHJLPLICR-UHFFFAOYSA-N -1 1 418.349 3.509 20 5 HHBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC000438786833 983070411 /nfs/dbraw/zinc/07/04/11/983070411.db2.gz UANRWAOAGBUFSE-UHFFFAOYSA-N -1 1 415.265 3.865 20 5 HHBDMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000439251715 983332563 /nfs/dbraw/zinc/33/25/63/983332563.db2.gz XDWPAZXBFHNSMI-UHFFFAOYSA-N -1 1 424.161 3.673 20 5 HHBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000462683548 985622983 /nfs/dbraw/zinc/62/29/83/985622983.db2.gz UOSULGOMEKCBSM-CQSZACIVSA-N -1 1 405.259 3.568 20 5 HHBDMM CC(C)[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCS1 ZINC000463004517 985955800 /nfs/dbraw/zinc/95/58/00/985955800.db2.gz ACCKKXITKAQIPU-IBGZPJMESA-N -1 1 421.544 3.973 20 5 HHBDMM CC(C)c1[nH]nc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c1[N+](=O)[O-] ZINC000463167019 986139489 /nfs/dbraw/zinc/13/94/89/986139489.db2.gz SFRBJFNXPLZKTJ-UHFFFAOYSA-N -1 1 410.221 3.786 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000444026958 986221563 /nfs/dbraw/zinc/22/15/63/986221563.db2.gz AMIDTNFDAXEHLX-UHFFFAOYSA-N -1 1 421.544 3.507 20 5 HHBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000445199309 987272709 /nfs/dbraw/zinc/27/27/09/987272709.db2.gz XTWZRJLCGCJLAY-ZDUSSCGKSA-N -1 1 411.389 3.905 20 5 HHBDMM CCOc1cc(-c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)cc(Cl)c1[O-] ZINC000445418779 987485839 /nfs/dbraw/zinc/48/58/39/987485839.db2.gz PWLMAMWBYONXGV-UHFFFAOYSA-N -1 1 401.766 3.946 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c2ncccc12 ZINC000464223803 988339005 /nfs/dbraw/zinc/33/90/05/988339005.db2.gz OAMPDSJCQQMATG-OAHLLOKOSA-N -1 1 403.382 3.542 20 5 HHBDMM CC[C@H](CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Oc1ccc(Cl)c(Cl)c1 ZINC000470724738 988752350 /nfs/dbraw/zinc/75/23/50/988752350.db2.gz WCNMPAAJWODRIJ-LLVKDONJSA-N -1 1 414.245 3.932 20 5 HHBDMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000471867160 990038865 /nfs/dbraw/zinc/03/88/65/990038865.db2.gz ABENSPAHCQIHSD-CYBMUJFWSA-N -1 1 416.459 3.555 20 5 HHBDMM CO[C@@H](CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C(C)(C)C ZINC000467006195 992314953 /nfs/dbraw/zinc/31/49/53/992314953.db2.gz SEOIRQLAXXDNMO-SFHVURJKSA-N -1 1 407.492 3.869 20 5 HHBDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000467074941 992380742 /nfs/dbraw/zinc/38/07/42/992380742.db2.gz NHTALZAHAUJYRL-UHFFFAOYSA-N -1 1 408.476 3.566 20 5 HHBDMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000481089764 993927901 /nfs/dbraw/zinc/92/79/01/993927901.db2.gz IMGAPBNTPDNWSD-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM CCOC(=O)c1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc([N+](=O)[O-])c1 ZINC000482547116 995554817 /nfs/dbraw/zinc/55/48/17/995554817.db2.gz DFLXBHROVBEOMV-UHFFFAOYSA-N -1 1 423.219 3.800 20 5 HHBDMM Cc1nc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] ZINC000474781969 995707671 /nfs/dbraw/zinc/70/76/71/995707671.db2.gz AOOUPWXQOQSMNJ-UHFFFAOYSA-N -1 1 416.434 3.850 20 5 HHBDMM COc1c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)cccc1[N+](=O)[O-] ZINC000474956703 995825217 /nfs/dbraw/zinc/82/52/17/995825217.db2.gz USKHBTMLJFZIEC-UHFFFAOYSA-N -1 1 402.457 4.000 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1[N+](=O)[O-] ZINC000476412636 996874009 /nfs/dbraw/zinc/87/40/09/996874009.db2.gz RRAGNCMUNXAKJD-UHFFFAOYSA-N -1 1 417.418 3.817 20 5 HHBDMM O=c1cc(/C=C\c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc2nc[n-]n21 ZINC000486172817 998619173 /nfs/dbraw/zinc/61/91/73/998619173.db2.gz KILKWXBXAUCSQM-KTAJNNJTSA-N -1 1 409.789 3.942 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CSc3ccc(Br)cc32)s1 ZINC000486825629 998958196 /nfs/dbraw/zinc/95/81/96/998958196.db2.gz NOBZTZKSPHYJDG-SECBINFHSA-N -1 1 421.319 3.544 20 5 HHBDMM CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478566544 999027518 /nfs/dbraw/zinc/02/75/18/999027518.db2.gz QCLZBGHSQXJDRF-FZKQIMNGSA-N -1 1 407.829 3.516 20 5 HHBDMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487336154 999138934 /nfs/dbraw/zinc/13/89/34/999138934.db2.gz LBMKFGFLDWBMSW-ZDUSSCGKSA-N -1 1 405.259 3.568 20 5 HHBDMM C[C@H](Cc1ccncc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000487639506 999238477 /nfs/dbraw/zinc/23/84/77/999238477.db2.gz WILNIUJBOKDEGD-OAHLLOKOSA-N -1 1 412.471 3.834 20 5 HHBDMM CC[C@@H](C)[C@](C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000488151419 999394561 /nfs/dbraw/zinc/39/45/61/999394561.db2.gz RPKCNWUTURFTPQ-AUUYWEPGSA-N -1 1 407.492 3.605 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000504501745 1000237027 /nfs/dbraw/zinc/23/70/27/1000237027.db2.gz CYCWETDDOVBZOQ-UHFFFAOYSA-N -1 1 400.338 3.599 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000507514757 1002126415 /nfs/dbraw/zinc/12/64/15/1002126415.db2.gz ZPPKZNYYDSQMRE-CQSZACIVSA-N -1 1 409.876 3.773 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)c1C ZINC000507572442 1002176391 /nfs/dbraw/zinc/17/63/91/1002176391.db2.gz XLFFDEOCOKQJFJ-UHFFFAOYSA-N -1 1 404.444 3.756 20 5 HHBDMM Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cnn1-c1cc(C)ccc1C ZINC000499297115 1002706857 /nfs/dbraw/zinc/70/68/57/1002706857.db2.gz WBCIHHLLUFAHPY-UHFFFAOYSA-N -1 1 416.459 3.521 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOc2c(Cl)cccc21 ZINC000511898758 1003875002 /nfs/dbraw/zinc/87/50/02/1003875002.db2.gz ZOKPXRYMVOOJMB-LBPRGKRZSA-N -1 1 403.243 3.704 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c(C(F)(F)F)c1 ZINC000511359946 1005138225 /nfs/dbraw/zinc/13/82/25/1005138225.db2.gz MLHOSVCIFBHNQF-UHFFFAOYSA-N -1 1 406.304 3.625 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000504039497 1005538697 /nfs/dbraw/zinc/53/86/97/1005538697.db2.gz FPRMNEDZSWESQB-UHFFFAOYSA-N -1 1 408.766 3.659 20 5 HHBDMM CCOc1cc(C(=O)Nc2cc(Br)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000531253704 1006072728 /nfs/dbraw/zinc/07/27/28/1006072728.db2.gz CBPSXVCNWFOCKW-UHFFFAOYSA-N -1 1 411.208 3.723 20 5 HHBDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2)n1 ZINC000531370958 1006155863 /nfs/dbraw/zinc/15/58/63/1006155863.db2.gz SKBRFLDZSKHONV-UHFFFAOYSA-N -1 1 402.432 3.679 20 5 HHBDMM CCc1noc(C)c1[N-]C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000534398544 1006374780 /nfs/dbraw/zinc/37/47/80/1006374780.db2.gz PKACNHONYRQOOL-UHFFFAOYSA-N -1 1 418.431 3.750 20 5 HHBDMM Cc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OCc2ccccc2)c1 ZINC000515649712 1006575090 /nfs/dbraw/zinc/57/50/90/1006575090.db2.gz WESCLMJFPFRROG-UHFFFAOYSA-N -1 1 414.439 3.989 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCSc1ccc(F)cc1 ZINC000516341625 1007028484 /nfs/dbraw/zinc/02/84/84/1007028484.db2.gz NIOFGLVJJZEVDL-UHFFFAOYSA-N -1 1 404.872 3.848 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccccc1C(F)(F)F ZINC000516344337 1007030701 /nfs/dbraw/zinc/03/07/01/1007030701.db2.gz MPKPDVDRBUFJGR-UHFFFAOYSA-N -1 1 408.785 3.788 20 5 HHBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])cc1I ZINC000533159341 1007497867 /nfs/dbraw/zinc/49/78/67/1007497867.db2.gz VUYHQKBDEBOOBK-UHFFFAOYSA-N -1 1 418.574 3.811 20 5 HHBDMM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000533916417 1008202681 /nfs/dbraw/zinc/20/26/81/1008202681.db2.gz LNGWXMJJCPUZKU-UHFFFAOYSA-N -1 1 408.785 3.788 20 5 HHBDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000543148974 1008723197 /nfs/dbraw/zinc/72/31/97/1008723197.db2.gz QPWKLYXPAYJGJX-UHFFFAOYSA-N -1 1 400.460 3.521 20 5 HHBDMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000547953006 1010480650 /nfs/dbraw/zinc/48/06/50/1010480650.db2.gz VXYHMYWFTVCREQ-UHFFFAOYSA-N -1 1 409.427 3.642 20 5 HHBDMM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc21 ZINC000545369173 1010755728 /nfs/dbraw/zinc/75/57/28/1010755728.db2.gz BFGALNPWAWHDLN-UHFFFAOYSA-N -1 1 423.878 3.657 20 5 HHBDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000760343484 1072266121 /nfs/dbraw/zinc/26/61/21/1072266121.db2.gz MIWMPZCZAFXBJH-UHFFFAOYSA-N -1 1 415.830 3.845 20 5 HHBDMM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001212151293 1072873884 /nfs/dbraw/zinc/87/38/84/1072873884.db2.gz MXYNVVIBPQAQRI-UHFFFAOYSA-N -1 1 417.409 3.785 20 5 HHBDMM C[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000301285617 970849684 /nfs/dbraw/zinc/84/96/84/970849684.db2.gz OEIPFYNLURQWAW-NXEZZACHSA-N -1 1 404.345 3.723 20 5 HHBDMM CO[C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301432760 970925703 /nfs/dbraw/zinc/92/57/03/970925703.db2.gz GLTRQDHIQWUTEL-IEBWSBKVSA-N -1 1 405.476 3.765 20 5 HHBDMM CC1(C)CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCS1 ZINC000301564160 970981539 /nfs/dbraw/zinc/98/15/39/970981539.db2.gz JXMJDLVOIRSWNI-UHFFFAOYSA-N -1 1 407.517 3.727 20 5 HHBDMM O=[N+]([O-])c1cccc(CNc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)c1 ZINC000301574662 970985131 /nfs/dbraw/zinc/98/51/31/970985131.db2.gz ZJAQNKJZASCGOD-UHFFFAOYSA-N -1 1 420.397 3.681 20 5 HHBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1OC ZINC000007423789 961175431 /nfs/dbraw/zinc/17/54/31/961175431.db2.gz PUSMJEVRUSDIHT-UHFFFAOYSA-N -1 1 400.840 3.765 20 5 HHBDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3c(C)ccc([N+](=O)[O-])c3C)cc2F)c1 ZINC000538011466 1013584036 /nfs/dbraw/zinc/58/40/36/1013584036.db2.gz QFJZIORNJIGCDE-UHFFFAOYSA-N -1 1 404.423 3.646 20 5 HHBDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055676459 966011415 /nfs/dbraw/zinc/01/14/15/966011415.db2.gz SANLBXPCBCGYSG-UHFFFAOYSA-N -1 1 404.231 3.661 20 5 HHBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)c1 ZINC000542728319 1013640309 /nfs/dbraw/zinc/64/03/09/1013640309.db2.gz OLMLDVYXHKJGAJ-UHFFFAOYSA-N -1 1 403.460 3.669 20 5 HHBDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000065223951 967412264 /nfs/dbraw/zinc/41/22/64/967412264.db2.gz QDRJOZHMFVZZKV-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000046591998 967871365 /nfs/dbraw/zinc/87/13/65/967871365.db2.gz AVZXLFHRQMXZRW-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)c1C ZINC000065832856 968670982 /nfs/dbraw/zinc/67/09/82/968670982.db2.gz SATCOXQJDIZSLB-UHFFFAOYSA-N -1 1 422.503 3.954 20 5 HHBDMM CC(C)n1c(C2CCN(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000209952858 970024558 /nfs/dbraw/zinc/02/45/58/970024558.db2.gz PCYRPSJBPWMSLN-YVMONPNESA-N -1 1 401.492 3.849 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccnc(N2CCCCCC2)c1 ZINC000216991100 970082312 /nfs/dbraw/zinc/08/23/12/970082312.db2.gz RYSHGVUAIWFLHN-UHFFFAOYSA-N -1 1 424.910 3.502 20 5 HHBDMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC ZINC000146747000 970307877 /nfs/dbraw/zinc/30/78/77/970307877.db2.gz SQOKIONXNNVSJK-NSHDSACASA-N -1 1 414.867 3.695 20 5 HHBDMM Cc1csc(-c2cccc(S(=O)(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)n1 ZINC000410054648 973538531 /nfs/dbraw/zinc/53/85/31/973538531.db2.gz MATDABRGWQWJBL-UHFFFAOYSA-N -1 1 419.440 3.526 20 5 HHBDMM COc1ccc(Br)cc1[C@@H](NCc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000426737672 974625059 /nfs/dbraw/zinc/62/50/59/974625059.db2.gz PAZHJEKBEGHMHK-MRXNPFEDSA-N -1 1 409.236 3.590 20 5 HHBDMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000426798341 974668489 /nfs/dbraw/zinc/66/84/89/974668489.db2.gz HXFIVYVAQUHBJQ-LJQANCHMSA-N -1 1 414.849 3.966 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000432306231 978754507 /nfs/dbraw/zinc/75/45/07/978754507.db2.gz LHJAORALGBETRX-GFCCVEGCSA-N -1 1 408.423 3.979 20 5 HHBDMM CCOC(=O)c1cnc(C(C)=Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[n-]c1=O ZINC000432704118 978941926 /nfs/dbraw/zinc/94/19/26/978941926.db2.gz CJJVICIKUGDLGN-XFFZJAGNSA-N -1 1 412.427 3.951 20 5 HHBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915243 981621404 /nfs/dbraw/zinc/62/14/04/981621404.db2.gz PKAJXXOPICXPPP-VIFPVBQESA-N -1 1 419.850 3.858 20 5 HHBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915243 981621406 /nfs/dbraw/zinc/62/14/06/981621406.db2.gz PKAJXXOPICXPPP-VIFPVBQESA-N -1 1 419.850 3.858 20 5 HHBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000437308032 981960053 /nfs/dbraw/zinc/96/00/53/981960053.db2.gz OUIYSOJRUQSCJD-QMMMGPOBSA-N -1 1 421.219 3.675 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1[N+](=O)[O-] ZINC000442841643 985240591 /nfs/dbraw/zinc/24/05/91/985240591.db2.gz GSVOGFLTLOSXPH-UHFFFAOYSA-N -1 1 413.221 3.806 20 5 HHBDMM CC1(c2ccc(Br)cc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000443391166 985546800 /nfs/dbraw/zinc/54/68/00/985546800.db2.gz VJHFJZQMSAVMOJ-UHFFFAOYSA-N -1 1 420.263 3.652 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000462674975 985612842 /nfs/dbraw/zinc/61/28/42/985612842.db2.gz IGILBPGUOVQOKE-UHFFFAOYSA-N -1 1 421.219 3.773 20 5 HHBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000462715738 985662021 /nfs/dbraw/zinc/66/20/21/985662021.db2.gz OKIKUGOTACEWRK-SNVBAGLBSA-N -1 1 405.259 3.647 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000444325994 986505490 /nfs/dbraw/zinc/50/54/90/986505490.db2.gz ZGXCACNJLBEFKC-DYVFJYSZSA-N -1 1 417.487 3.622 20 5 HHBDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(F)c1 ZINC000463531908 986508264 /nfs/dbraw/zinc/50/82/64/986508264.db2.gz LFQBBYDXBVCSLK-UHFFFAOYSA-N -1 1 405.407 3.870 20 5 HHBDMM COc1cc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000444823514 986978283 /nfs/dbraw/zinc/97/82/83/986978283.db2.gz FKENJQNBNMLFJL-UHFFFAOYSA-N -1 1 423.425 3.555 20 5 HHBDMM COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445175847 987259892 /nfs/dbraw/zinc/25/98/92/987259892.db2.gz UEMFGEGOXPDFOQ-GOSISDBHSA-N -1 1 411.389 3.557 20 5 HHBDMM COc1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000445392809 987450414 /nfs/dbraw/zinc/45/04/14/987450414.db2.gz OQUYMMNKWGLAFK-UHFFFAOYSA-N -1 1 422.191 3.797 20 5 HHBDMM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000471442241 989625481 /nfs/dbraw/zinc/62/54/81/989625481.db2.gz GMCBAGUJBJUQHN-VIFPVBQESA-N -1 1 400.218 3.542 20 5 HHBDMM O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000471692839 989895697 /nfs/dbraw/zinc/89/56/97/989895697.db2.gz MLYUINAKHHKICG-UHFFFAOYSA-N -1 1 400.826 3.814 20 5 HHBDMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000471877384 990049932 /nfs/dbraw/zinc/04/99/32/990049932.db2.gz NCQCHXBMCKUUNU-ZDUSSCGKSA-N -1 1 416.459 3.555 20 5 HHBDMM CN(CCC1CCOCC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000466810796 992119862 /nfs/dbraw/zinc/11/98/62/992119862.db2.gz BLYNVKZGXBMGPB-UHFFFAOYSA-N -1 1 419.503 3.649 20 5 HHBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000466974575 992286154 /nfs/dbraw/zinc/28/61/54/992286154.db2.gz LFZTYACAZRGDDG-CQSZACIVSA-N -1 1 424.450 3.567 20 5 HHBDMM Cc1sc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000466977076 992288834 /nfs/dbraw/zinc/28/88/34/992288834.db2.gz ZGRVWHVYTWSSSD-UHFFFAOYSA-N -1 1 415.880 3.546 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467080517 992386925 /nfs/dbraw/zinc/38/69/25/992386925.db2.gz GLFAAOSYXYEZQR-UHFFFAOYSA-N -1 1 406.460 3.588 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1[N+](=O)[O-] ZINC000467394352 992705354 /nfs/dbraw/zinc/70/53/54/992705354.db2.gz DDUYDGNZXFTLNI-UHFFFAOYSA-N -1 1 402.432 3.548 20 5 HHBDMM CO[C@]1(C)CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000480829515 993705084 /nfs/dbraw/zinc/70/50/84/993705084.db2.gz QIGNKMIAHNWAFS-HXUWFJFHSA-N -1 1 419.503 3.791 20 5 HHBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000474410048 995376159 /nfs/dbraw/zinc/37/61/59/995376159.db2.gz JCZHSXDDIWEZSM-UHFFFAOYSA-N -1 1 415.269 3.539 20 5 HHBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000474420558 995384145 /nfs/dbraw/zinc/38/41/45/995384145.db2.gz DTFNRJTVHBNFHO-UHFFFAOYSA-N -1 1 415.269 3.539 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)cc1[N+](=O)[O-] ZINC000484161910 996608937 /nfs/dbraw/zinc/60/89/37/996608937.db2.gz HVOSEYRQUAHTFJ-UHFFFAOYSA-N -1 1 409.427 3.642 20 5 HHBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1SC ZINC000484962349 997338477 /nfs/dbraw/zinc/33/84/77/997338477.db2.gz LMWLLXBXLCGFJY-UHFFFAOYSA-N -1 1 408.383 3.534 20 5 HHBDMM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000485072966 997441484 /nfs/dbraw/zinc/44/14/84/997441484.db2.gz PQCXRGWNDXMMJG-UHFFFAOYSA-N -1 1 405.215 3.709 20 5 HHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000485150561 997533862 /nfs/dbraw/zinc/53/38/62/997533862.db2.gz QIOQOKRQACVZPQ-UHFFFAOYSA-N -1 1 404.231 3.661 20 5 HHBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 ZINC000485175441 997556095 /nfs/dbraw/zinc/55/60/95/997556095.db2.gz SXPBFFKAEGMGMN-UHFFFAOYSA-N -1 1 404.231 3.661 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)ccc1[N+](=O)[O-] ZINC000486551676 998821943 /nfs/dbraw/zinc/82/19/43/998821943.db2.gz UJAVVPZVXSVGOM-UHFFFAOYSA-N -1 1 407.192 3.745 20 5 HHBDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc21 ZINC000491600289 1000088255 /nfs/dbraw/zinc/08/82/55/1000088255.db2.gz ANNKBRQZDIECTB-UHFFFAOYSA-N -1 1 403.460 3.614 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1[N+](=O)[O-] ZINC000491604020 1000089087 /nfs/dbraw/zinc/08/90/87/1000089087.db2.gz IJPXZLWYTWUOPW-UHFFFAOYSA-N -1 1 405.476 3.997 20 5 HHBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1[N+](=O)[O-] ZINC000491721535 1000093427 /nfs/dbraw/zinc/09/34/27/1000093427.db2.gz STVJAGJSGFEZAL-MOPGFXCFSA-N -1 1 420.487 3.695 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)c([N+](=O)[O-])c1 ZINC000493149513 1000160107 /nfs/dbraw/zinc/16/01/07/1000160107.db2.gz GLGLAXUARBGRBG-UHFFFAOYSA-N -1 1 424.438 3.948 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000493893691 1000203634 /nfs/dbraw/zinc/20/36/34/1000203634.db2.gz IKRZCACYBPAXJZ-HNNXBMFYSA-N -1 1 422.356 3.633 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000507557131 1002162977 /nfs/dbraw/zinc/16/29/77/1002162977.db2.gz ZBWDGDWYMSINAF-OAHLLOKOSA-N -1 1 409.876 3.773 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)cc1[N+](=O)[O-] ZINC000507595191 1002201949 /nfs/dbraw/zinc/20/19/49/1002201949.db2.gz HIAXXMIIDIYWLD-OAHLLOKOSA-N -1 1 415.471 3.999 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@H]3C=CCC3)cc2)cc1[N+](=O)[O-] ZINC000507595190 1002202091 /nfs/dbraw/zinc/20/20/91/1002202091.db2.gz HIAXXMIIDIYWLD-HNNXBMFYSA-N -1 1 415.471 3.999 20 5 HHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(F)cc1OCC(F)(F)F ZINC000499284225 1002695109 /nfs/dbraw/zinc/69/51/09/1002695109.db2.gz KHGDRMIIEIAAPL-UHFFFAOYSA-N -1 1 422.356 3.659 20 5 HHBDMM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000509180597 1003608089 /nfs/dbraw/zinc/60/80/89/1003608089.db2.gz UWLCVMYOECTUBO-MRXNPFEDSA-N -1 1 403.822 3.506 20 5 HHBDMM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc2ccccc2s1 ZINC000500473976 1003736639 /nfs/dbraw/zinc/73/66/39/1003736639.db2.gz FXLZLJIWYFUNKH-LLVKDONJSA-N -1 1 420.468 3.620 20 5 HHBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2F)n1 ZINC000511158289 1005050399 /nfs/dbraw/zinc/05/03/99/1005050399.db2.gz VJWOEDQEDWSQLH-UHFFFAOYSA-N -1 1 404.423 3.646 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1[N+](=O)[O-] ZINC000511262985 1005096491 /nfs/dbraw/zinc/09/64/91/1005096491.db2.gz WRFJAADYUAEEPQ-UHFFFAOYSA-N -1 1 403.416 3.676 20 5 HHBDMM CCOc1cc([N-]C(=O)c2cnc(-c3ncccn3)s2)c([N+](=O)[O-])cc1OCC ZINC000503305920 1005387235 /nfs/dbraw/zinc/38/72/35/1005387235.db2.gz WUFWUVPLMKTAFW-UHFFFAOYSA-N -1 1 415.431 3.558 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Oc2ccccc2)nc1 ZINC000503950806 1005517703 /nfs/dbraw/zinc/51/77/03/1005517703.db2.gz IJEWHDJZVZFLNA-UHFFFAOYSA-N -1 1 419.846 3.914 20 5 HHBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2F)n1 ZINC000515629668 1006567505 /nfs/dbraw/zinc/56/75/05/1006567505.db2.gz CHDDTXHNJWNXHT-UHFFFAOYSA-N -1 1 404.423 3.646 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(C)C)c([N+](=O)[O-])n1 ZINC000533175663 1007517902 /nfs/dbraw/zinc/51/79/02/1007517902.db2.gz LLLWMQOZKJNCTG-AWEZNQCLSA-N -1 1 420.413 3.506 20 5 HHBDMM CCC(CC)[C@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000518399899 1008288442 /nfs/dbraw/zinc/28/84/42/1008288442.db2.gz TWEUORHKZLKMIB-LJQANCHMSA-N -1 1 407.492 3.605 20 5 HHBDMM COc1cc(Br)cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000543048423 1008629532 /nfs/dbraw/zinc/62/95/32/1008629532.db2.gz LLLFPHYTIRJVIH-UHFFFAOYSA-N -1 1 407.267 3.575 20 5 HHBDMM Cc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)n2)s1 ZINC000550896864 1010246415 /nfs/dbraw/zinc/24/64/15/1010246415.db2.gz DEEDJJUQIPJTFW-UHFFFAOYSA-N -1 1 404.429 3.507 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000522512812 1011057308 /nfs/dbraw/zinc/05/73/08/1011057308.db2.gz YFLDKMWUPOHQGR-AREMUKBSSA-N -1 1 410.517 3.751 20 5 HHBDMM CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000536211966 1011359565 /nfs/dbraw/zinc/35/95/65/1011359565.db2.gz INEHSJGMZSMWJH-UHFFFAOYSA-N -1 1 423.400 3.989 20 5 HHBDMM COc1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(OC)c1C(C)C ZINC000541188010 1011859813 /nfs/dbraw/zinc/85/98/13/1011859813.db2.gz YJIDMDJJNTXQTN-UHFFFAOYSA-N -1 1 400.478 3.944 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc([N+](=O)[O-])c1C ZINC000523822484 1012505627 /nfs/dbraw/zinc/50/56/27/1012505627.db2.gz WRRIHZFXSIRLIL-UHFFFAOYSA-N -1 1 422.459 3.506 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541831994 1012718968 /nfs/dbraw/zinc/71/89/68/1012718968.db2.gz WLVNGUKFQWJRMZ-XJKSGUPXSA-N -1 1 414.842 3.586 20 5 HHBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000488248268 1072164106 /nfs/dbraw/zinc/16/41/06/1072164106.db2.gz CKHHAEJXSUWFSD-UHFFFAOYSA-N -1 1 414.386 3.614 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)ccc1Br ZINC000760366510 1072295115 /nfs/dbraw/zinc/29/51/15/1072295115.db2.gz YNUAADSGWNMEAP-UHFFFAOYSA-N -1 1 423.248 3.548 20 5 HHBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1 ZINC000554965413 1072999086 /nfs/dbraw/zinc/99/90/86/1072999086.db2.gz MYRGBTUVROKJFZ-UHFFFAOYSA-N -1 1 402.407 3.827 20 5 HHBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000588853810 1073308763 /nfs/dbraw/zinc/30/87/63/1073308763.db2.gz CYUTUMHNONIVKI-UHFFFAOYSA-N -1 1 419.228 3.614 20 5 HHBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000302187448 971202330 /nfs/dbraw/zinc/20/23/30/971202330.db2.gz WFIRPVGSFJUVFX-OXJNMPFZSA-N -1 1 417.487 3.765 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000008286392 961505804 /nfs/dbraw/zinc/50/58/04/961505804.db2.gz XWWRSYCOBBEUKN-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000018707643 963328647 /nfs/dbraw/zinc/32/86/47/963328647.db2.gz RCJSSOMLAJCTCA-UHFFFAOYSA-N -1 1 411.867 3.952 20 5 HHBDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000553570184 1013467340 /nfs/dbraw/zinc/46/73/40/1013467340.db2.gz RADRQQGABLLENA-AYVTZFPOSA-N -1 1 420.340 3.553 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccccn1 ZINC000029938562 965567331 /nfs/dbraw/zinc/56/73/31/965567331.db2.gz OSXFACBRIHYLMM-SFHVURJKSA-N -1 1 403.847 3.711 20 5 HHBDMM Cc1c(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000058949626 965969617 /nfs/dbraw/zinc/96/96/17/965969617.db2.gz MMKPROOSQPVKEX-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000046588254 967870897 /nfs/dbraw/zinc/87/08/97/967870897.db2.gz KPJZLMYTCHBJNC-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1Br ZINC000216144501 970064105 /nfs/dbraw/zinc/06/41/05/970064105.db2.gz FYSDFKLJTZMKNI-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000146249045 970284728 /nfs/dbraw/zinc/28/47/28/970284728.db2.gz NXWIDTXCTPCQHS-PBHICJAKSA-N -1 1 410.879 3.694 20 5 HHBDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Br)c1 ZINC000322834608 972703364 /nfs/dbraw/zinc/70/33/64/972703364.db2.gz HTTNQCDTJWFQDV-UHFFFAOYSA-N -1 1 403.229 3.914 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000386402983 972799191 /nfs/dbraw/zinc/79/91/91/972799191.db2.gz LZPJEDYTQBLRCX-UHFFFAOYSA-N -1 1 409.620 3.951 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 ZINC000390844276 972831114 /nfs/dbraw/zinc/83/11/14/972831114.db2.gz FFBZTJQPDZFMRQ-UHFFFAOYSA-N -1 1 421.656 3.820 20 5 HHBDMM COc1cc(CNCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000426694299 974602226 /nfs/dbraw/zinc/60/22/26/974602226.db2.gz IBWBYVZPRFRGCM-UHFFFAOYSA-N -1 1 414.336 3.533 20 5 HHBDMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431945275 978612884 /nfs/dbraw/zinc/61/28/84/978612884.db2.gz FWNXIQMTKGDPAU-UHFFFAOYSA-N -1 1 424.161 3.673 20 5 HHBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000432178372 978701784 /nfs/dbraw/zinc/70/17/84/978701784.db2.gz QNPIPQYOVUGCCL-UHFFFAOYSA-N -1 1 412.423 3.685 20 5 HHBDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000436195709 981244318 /nfs/dbraw/zinc/24/43/18/981244318.db2.gz DVCTWNRIDWBQCQ-QMMMGPOBSA-N -1 1 416.381 3.791 20 5 HHBDMM COc1cc(-c2noc(-c3cccc(OC)c3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000436877086 981599315 /nfs/dbraw/zinc/59/93/15/981599315.db2.gz DGVRUOUBLCPOQT-UHFFFAOYSA-N -1 1 422.191 3.797 20 5 HHBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000460693063 982456556 /nfs/dbraw/zinc/45/65/56/982456556.db2.gz MIBZBPLOZLUPPN-UHFFFAOYSA-N -1 1 411.439 3.577 20 5 HHBDMM CC[C@H](C[C@@H](C)CO)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000439717388 983513980 /nfs/dbraw/zinc/51/39/80/983513980.db2.gz UJVOPZVXZYLYBC-HUUCEWRRSA-N -1 1 407.492 3.605 20 5 HHBDMM O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440699307 983858887 /nfs/dbraw/zinc/85/88/87/983858887.db2.gz BLMILMJDGQIIPZ-UHFFFAOYSA-N -1 1 424.360 3.768 20 5 HHBDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)n1 ZINC000441713468 984411057 /nfs/dbraw/zinc/41/10/57/984411057.db2.gz DHOVDAIOPBSEHW-UHFFFAOYSA-N -1 1 400.416 3.595 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(SC[C@@H](C)CO)c([N+](=O)[O-])c2)c(C)c1 ZINC000462108663 985078687 /nfs/dbraw/zinc/07/86/87/985078687.db2.gz GXAIYDFYZTXVOI-ZDUSSCGKSA-N -1 1 410.517 3.733 20 5 HHBDMM Cc1cnc(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000463053952 986011507 /nfs/dbraw/zinc/01/15/07/986011507.db2.gz CAOGQJSTVOHXGY-UHFFFAOYSA-N -1 1 412.471 3.735 20 5 HHBDMM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444963321 987096986 /nfs/dbraw/zinc/09/69/86/987096986.db2.gz GNTSCRSDRDCNBP-YCRPNKLZSA-N -1 1 403.438 3.914 20 5 HHBDMM O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445001962 987131422 /nfs/dbraw/zinc/13/14/22/987131422.db2.gz XWZVSLIXPOGXKJ-UHFFFAOYSA-N -1 1 408.144 3.534 20 5 HHBDMM COc1cc(-c2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)cc(Br)c1[O-] ZINC000445397042 987454224 /nfs/dbraw/zinc/45/42/24/987454224.db2.gz CBNFFKRCRSCFRN-UHFFFAOYSA-N -1 1 410.155 3.928 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467039880 992349595 /nfs/dbraw/zinc/34/95/95/992349595.db2.gz DLRZDDJGQDTMKN-CQSZACIVSA-N -1 1 424.450 3.567 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1C ZINC000480743659 993610831 /nfs/dbraw/zinc/61/08/31/993610831.db2.gz VVQNJENIIMYZAP-UHFFFAOYSA-N -1 1 412.851 3.827 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1C ZINC000481609932 994463456 /nfs/dbraw/zinc/46/34/56/994463456.db2.gz NZECNTJNKLRPPL-KRWDZBQOSA-N -1 1 416.459 3.740 20 5 HHBDMM Cc1ccc([N+](=O)[O-])c(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000481713617 994574530 /nfs/dbraw/zinc/57/45/30/994574530.db2.gz SCHYUYHHJPIPBK-UHFFFAOYSA-N -1 1 412.471 3.735 20 5 HHBDMM Cc1cnc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 ZINC000474786166 995710028 /nfs/dbraw/zinc/71/00/28/995710028.db2.gz PRUKVXZBPFBLGL-UHFFFAOYSA-N -1 1 416.434 3.850 20 5 HHBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484111009 996576031 /nfs/dbraw/zinc/57/60/31/996576031.db2.gz FSMVJKNRZYJNBO-UHFFFAOYSA-N -1 1 409.427 3.642 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000484111868 996576557 /nfs/dbraw/zinc/57/65/57/996576557.db2.gz GRIDYRMBLTXXMM-UHFFFAOYSA-N -1 1 409.427 3.642 20 5 HHBDMM COc1cc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000484250429 996658867 /nfs/dbraw/zinc/65/88/67/996658867.db2.gz COAPEVFXKHNUGZ-LBPRGKRZSA-N -1 1 401.419 3.516 20 5 HHBDMM O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484263329 996666879 /nfs/dbraw/zinc/66/68/79/996666879.db2.gz VKWSYWUXNZFUFU-TYSSJJCSSA-N -1 1 401.422 3.723 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000484271797 996671138 /nfs/dbraw/zinc/67/11/38/996671138.db2.gz DABFXTCDPUPEIC-UHFFFAOYSA-N -1 1 402.794 3.510 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c(Cl)c1 ZINC000484792968 997144067 /nfs/dbraw/zinc/14/40/67/997144067.db2.gz ZCMYEWLLWMVPAU-MWLCHTKSSA-N -1 1 400.806 3.895 20 5 HHBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000476823301 997381643 /nfs/dbraw/zinc/38/16/43/997381643.db2.gz PKUMCJMPXOPMNP-INIZCTEOSA-N -1 1 411.393 3.592 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)c(C)c1 ZINC000485395135 997823920 /nfs/dbraw/zinc/82/39/20/997823920.db2.gz CQYMJXZEWJLUBH-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000485948768 998392505 /nfs/dbraw/zinc/39/25/05/998392505.db2.gz CBJSJWJTWIGLKZ-GFCCVEGCSA-N -1 1 408.785 3.873 20 5 HHBDMM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486613976 998857802 /nfs/dbraw/zinc/85/78/02/998857802.db2.gz CDDGSUVUZQBJRR-SFYZADRCSA-N -1 1 422.294 3.573 20 5 HHBDMM Cc1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000478459808 998972211 /nfs/dbraw/zinc/97/22/11/998972211.db2.gz ONQMCTQKWHLSKU-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(S[C@@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000487107547 999064505 /nfs/dbraw/zinc/06/45/05/999064505.db2.gz CQLGHBZXBYHDQF-CQSZACIVSA-N -1 1 408.501 3.893 20 5 HHBDMM Cc1cc(Br)c([O-])c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000487239890 999108171 /nfs/dbraw/zinc/10/81/71/999108171.db2.gz NOULDETVNRUHFP-UHFFFAOYSA-N -1 1 401.163 3.831 20 5 HHBDMM CCc1c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000480243876 999754852 /nfs/dbraw/zinc/75/48/52/999754852.db2.gz FUCWGIUHPISUFG-UHFFFAOYSA-N -1 1 422.850 3.503 20 5 HHBDMM CCOc1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c([N+](=O)[O-])cc1OC ZINC000490302005 999931872 /nfs/dbraw/zinc/93/18/72/999931872.db2.gz QZQRPEIMSNIVJK-VOTSOKGWSA-N -1 1 416.415 3.869 20 5 HHBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000504515316 1000245378 /nfs/dbraw/zinc/24/53/78/1000245378.db2.gz XLUPVKNAMRRGAN-UHFFFAOYSA-N -1 1 400.338 3.599 20 5 HHBDMM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000504984540 1000488812 /nfs/dbraw/zinc/48/88/12/1000488812.db2.gz FXEXBMKKJGIDNG-UHFFFAOYSA-N -1 1 424.500 3.500 20 5 HHBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000506265130 1001316816 /nfs/dbraw/zinc/31/68/16/1001316816.db2.gz VHEGFFFNNJCJBK-OAHLLOKOSA-N -1 1 424.910 3.916 20 5 HHBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000497824716 1001525941 /nfs/dbraw/zinc/52/59/41/1001525941.db2.gz PWAFTKCUTRKXGI-CYBMUJFWSA-N -1 1 421.413 3.830 20 5 HHBDMM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)ccc1[N+](=O)[O-] ZINC000508132959 1002665365 /nfs/dbraw/zinc/66/53/65/1002665365.db2.gz PJAMUVZVIUJOMC-UHFFFAOYSA-N -1 1 406.645 3.515 20 5 HHBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccsc1Br ZINC000509336662 1003714211 /nfs/dbraw/zinc/71/42/11/1003714211.db2.gz JGUVBZBTDCXTBA-UHFFFAOYSA-N -1 1 411.686 3.551 20 5 HHBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000512399626 1004270939 /nfs/dbraw/zinc/27/09/39/1004270939.db2.gz VMPVLBOQKPTUKG-UHFFFAOYSA-N -1 1 411.439 3.956 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OCC(F)(F)F ZINC000512587637 1004403758 /nfs/dbraw/zinc/40/37/58/1004403758.db2.gz MPQBVUPIMAFWKE-UHFFFAOYSA-N -1 1 420.365 3.654 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](COc2ccccc2F)c2ccccc2)s1 ZINC000512762814 1004544620 /nfs/dbraw/zinc/54/46/20/1004544620.db2.gz FTTADAOMWQZKNE-OAHLLOKOSA-N -1 1 422.459 3.894 20 5 HHBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(COCc3ccccc3)c2)s1 ZINC000512763672 1004545532 /nfs/dbraw/zinc/54/55/32/1004545532.db2.gz SEFTYUCMGXSXET-UHFFFAOYSA-N -1 1 418.496 3.852 20 5 HHBDMM C[C@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512778212 1004554343 /nfs/dbraw/zinc/55/43/43/1004554343.db2.gz DKOBTKZIKXTFIA-SNVBAGLBSA-N -1 1 419.322 3.718 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CC(C)C)cc2)cc1[N+](=O)[O-] ZINC000502069891 1004888518 /nfs/dbraw/zinc/88/85/18/1004888518.db2.gz WFBDEZIDBMMEER-HNNXBMFYSA-N -1 1 419.503 3.868 20 5 HHBDMM COC(=O)c1sc(-c2ccccc2Cl)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000504077975 1005547864 /nfs/dbraw/zinc/54/78/64/1005547864.db2.gz UABPCHGPONWUHX-UHFFFAOYSA-N -1 1 420.834 3.749 20 5 HHBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)c1C ZINC000515633826 1006569604 /nfs/dbraw/zinc/56/96/04/1006569604.db2.gz BFXWFVGVYGIMKS-UHFFFAOYSA-N -1 1 423.878 3.558 20 5 HHBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 ZINC000538753460 1007039531 /nfs/dbraw/zinc/03/95/31/1007039531.db2.gz OTTWFWXFXLCCDU-UHFFFAOYSA-N -1 1 400.338 3.599 20 5 HHBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000535070249 1007090349 /nfs/dbraw/zinc/09/03/49/1007090349.db2.gz OEMISDOGYALMLB-OCCSQVGLSA-N -1 1 415.393 3.623 20 5 HHBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccc(C(F)(F)F)cc3)c2)n1 ZINC000517048457 1007381672 /nfs/dbraw/zinc/38/16/72/1007381672.db2.gz QVRACKHIEIXZJG-UHFFFAOYSA-N -1 1 407.308 3.725 20 5 HHBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2Oc2ccccc2)c([N+](=O)[O-])n1 ZINC000533636578 1007943429 /nfs/dbraw/zinc/94/34/29/1007943429.db2.gz BAHAQGLBDPMDKT-CQSZACIVSA-N -1 1 416.459 3.643 20 5 HHBDMM COC(=O)c1cc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cc([N+](=O)[O-])c1 ZINC000520315147 1009441891 /nfs/dbraw/zinc/44/18/91/1009441891.db2.gz GXHRBTBYBBZCTK-UHFFFAOYSA-N -1 1 416.440 3.636 20 5 HHBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)cc1[N+](=O)[O-] ZINC000520880326 1009935769 /nfs/dbraw/zinc/93/57/69/1009935769.db2.gz CCIDZVVUHMNQSH-UHFFFAOYSA-N -1 1 412.471 3.904 20 5 HHBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)F ZINC000521669767 1010538283 /nfs/dbraw/zinc/53/82/83/1010538283.db2.gz MDIREOHYSNZQDS-UHFFFAOYSA-N -1 1 420.821 3.877 20 5 HHBDMM COc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000521678428 1010544192 /nfs/dbraw/zinc/54/41/92/1010544192.db2.gz WEDCZJULBBWUQN-UHFFFAOYSA-N -1 1 411.292 3.629 20 5 HHBDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc([N+](=O)[O-])c1C ZINC000522510026 1011056119 /nfs/dbraw/zinc/05/61/19/1011056119.db2.gz BZBLTLUHZZQHCW-ZDUSSCGKSA-N -1 1 422.459 3.588 20 5 HHBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1Br ZINC000536892709 1012145648 /nfs/dbraw/zinc/14/56/48/1012145648.db2.gz GCEZOWFGXURAEQ-UHFFFAOYSA-N -1 1 415.265 3.784 20 5 HHBDMM CCOC(=O)c1ccc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c([O-])c1 ZINC000568915563 1071972509 /nfs/dbraw/zinc/97/25/09/1071972509.db2.gz RMNTZCHAOPDLOY-UHFFFAOYSA-N -1 1 407.382 3.791 20 5 HHBDMM COc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(Cl)n1 ZINC000760325745 1072244941 /nfs/dbraw/zinc/24/49/41/1072244941.db2.gz SVRSEGJGPRXDDG-UHFFFAOYSA-N -1 1 412.638 3.759 20 5 HHBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CN(CC(F)F)C2 ZINC000571490037 1072637844 /nfs/dbraw/zinc/63/78/44/1072637844.db2.gz SXFSZNJABJMGMA-UHFFFAOYSA-N -1 1 411.430 3.539 20 5 HHBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000594533977 1075331260 /nfs/dbraw/zinc/33/12/60/1075331260.db2.gz YBNYSVZSTWLWOJ-UHFFFAOYSA-N -1 1 411.439 3.577 20 5 HHBDMM