smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2cccc(Br)c2)CC1 ZINC000436781049 861971955 /nfs/dbraw/zinc/97/19/55/861971955.db2.gz AVGHTQJQYGLTOQ-UHFFFAOYSA-N 0 2 405.248 4.083 20 5 HIBDLN Cc1cc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c3c(C)noc3n2)c(C)o1 ZINC000436851150 862031067 /nfs/dbraw/zinc/03/10/67/862031067.db2.gz KAGVYQUOWYJHNW-UHFFFAOYSA-N 0 2 408.370 4.274 20 5 HIBDLN Cc1c(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cccc1[N+](=O)[O-] ZINC000065094944 852062959 /nfs/dbraw/zinc/06/29/59/852062959.db2.gz UVOGYOMOUMHMKZ-UHFFFAOYSA-N 0 2 401.220 4.308 20 5 HIBDLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000409535960 855529506 /nfs/dbraw/zinc/52/95/06/855529506.db2.gz ODXMEAMTMJRHRK-SECBINFHSA-N 0 2 401.897 4.020 20 5 HIBDLN O=C([O-])C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1F ZINC000426830907 856504490 /nfs/dbraw/zinc/50/44/90/856504490.db2.gz BVCDSZJVYXTVPQ-KRWDZBQOSA-N 0 2 419.409 4.302 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc4ccccc4c3)o2)cc1[N+](=O)[O-] ZINC000446767489 870680540 /nfs/dbraw/zinc/68/05/40/870680540.db2.gz DLPLEWKSWCEEGT-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN Cc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)sc2c1 ZINC000446968125 870867780 /nfs/dbraw/zinc/86/77/80/870867780.db2.gz WHGLAEZHHZDVHS-UHFFFAOYSA-N 0 2 417.390 4.333 20 5 HIBDLN Cc1sc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])nc1C(C)C ZINC000462142358 875241462 /nfs/dbraw/zinc/24/14/62/875241462.db2.gz VCJCKBZFNKINRS-UHFFFAOYSA-N 0 2 424.331 4.268 20 5 HIBDLN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2)n1 ZINC000463787095 876906189 /nfs/dbraw/zinc/90/61/89/876906189.db2.gz AAPKBOBKPNICMF-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000470436529 884835610 /nfs/dbraw/zinc/83/56/10/884835610.db2.gz OCKQVKJMMANLCX-UHFFFAOYSA-N 0 2 407.835 4.321 20 5 HIBDLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000479139675 894408764 /nfs/dbraw/zinc/40/87/64/894408764.db2.gz TZHJRXGYVXBRKA-UHFFFAOYSA-N 0 2 420.878 4.160 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1C ZINC000479989153 895341621 /nfs/dbraw/zinc/34/16/21/895341621.db2.gz MKRHLOOZMZMHCC-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000483440058 899074293 /nfs/dbraw/zinc/07/42/93/899074293.db2.gz PGJGCDGIMGBQCI-LJQANCHMSA-N 0 2 419.437 4.109 20 5 HIBDLN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cc(O)ccc3[N+](=O)[O-])s2)cc1 ZINC000512914035 921407513 /nfs/dbraw/zinc/40/75/13/921407513.db2.gz VSKHRCWNKKVNGK-LLVKDONJSA-N 0 2 413.455 4.232 20 5 HIBDLN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000507153514 915895105 /nfs/dbraw/zinc/89/51/05/915895105.db2.gz CIUKZKOMNNWJKJ-GFCCVEGCSA-N 0 2 417.849 4.221 20 5 HIBDLN O=C(Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000507460541 916228986 /nfs/dbraw/zinc/22/89/86/916228986.db2.gz OFMAPJHPFWQXSG-UHFFFAOYSA-N 0 2 411.801 4.458 20 5 HIBDLN O=C(N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000511375738 919973370 /nfs/dbraw/zinc/97/33/70/919973370.db2.gz FGFYZDKKJWGADG-OAHLLOKOSA-N 0 2 413.430 4.370 20 5 HIBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 ZINC000515632291 923231966 /nfs/dbraw/zinc/23/19/66/923231966.db2.gz UMYFRMORWKDALY-UHFFFAOYSA-N 0 2 412.402 4.078 20 5 HIBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000562900026 945145898 /nfs/dbraw/zinc/14/58/98/945145898.db2.gz LXMDBMGSWFFLTC-UHFFFAOYSA-N 0 2 402.819 4.147 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc3cccc(Br)c3n2)cc1[N+](=O)[O-] ZINC000538463728 938628111 /nfs/dbraw/zinc/62/81/11/938628111.db2.gz FUFPUMQVCCVKDD-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN O=C(Nc1cc(Cl)cc(Cl)c1O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000538858138 938726231 /nfs/dbraw/zinc/72/62/31/938726231.db2.gz QYAOZXSDPKLVGT-UHFFFAOYSA-N 0 2 410.257 4.462 20 5 HIBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC000539789536 938935000 /nfs/dbraw/zinc/93/50/00/938935000.db2.gz XCXRKSQTORSYLC-UHFFFAOYSA-N 0 2 413.459 4.141 20 5 HIBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000541589533 939561753 /nfs/dbraw/zinc/56/17/53/939561753.db2.gz BJNAJBQPANAQSC-UHFFFAOYSA-N 0 2 406.423 4.467 20 5 HIBDLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000544636945 940496155 /nfs/dbraw/zinc/49/61/55/940496155.db2.gz FYVKHYYSOOWDMP-JTQLQIEISA-N 0 2 403.851 4.071 20 5 HIBDLN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(Cl)cc(Cl)c1O ZINC000546150729 940713984 /nfs/dbraw/zinc/71/39/84/940713984.db2.gz GWHUBYLBHJKIGQ-UHFFFAOYSA-N 0 2 408.197 4.173 20 5 HIBDLN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000560444111 944231597 /nfs/dbraw/zinc/23/15/97/944231597.db2.gz BFAKWNHHUDYODA-UHFFFAOYSA-N 0 2 405.838 4.125 20 5 HIBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000572073503 947839861 /nfs/dbraw/zinc/83/98/61/947839861.db2.gz RPUKXUTXBZWNRW-UHFFFAOYSA-N 0 2 415.858 4.276 20 5 HIBDLN COc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000018707804 846338951 /nfs/dbraw/zinc/33/89/51/846338951.db2.gz XYPMKUXWZIMLIU-UHFFFAOYSA-N 0 2 421.258 4.028 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000436939700 862116751 /nfs/dbraw/zinc/11/67/51/862116751.db2.gz PXLBMWTUTBIDPP-OAHLLOKOSA-N 0 2 412.389 4.250 20 5 HIBDLN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436961754 862143105 /nfs/dbraw/zinc/14/31/05/862143105.db2.gz KLXYZXQHVUMPJE-HNNXBMFYSA-N 0 2 421.247 4.049 20 5 HIBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000107850013 852803050 /nfs/dbraw/zinc/80/30/50/852803050.db2.gz OBAHVAXJTCYYCH-DHIUTWEWSA-N 0 2 402.450 4.464 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncc(C)cc3[N+](=O)[O-])cc2)s1 ZINC000301454632 854398681 /nfs/dbraw/zinc/39/86/81/854398681.db2.gz ROISZJMCYXKHSP-UHFFFAOYSA-N 0 2 405.457 4.261 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1Cc1cccc(F)c1 ZINC000409518626 855520291 /nfs/dbraw/zinc/52/02/91/855520291.db2.gz LQOSPORHYBCCKN-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1Cc1ccc(F)cc1 ZINC000409523072 855521687 /nfs/dbraw/zinc/52/16/87/855521687.db2.gz UDMKNOAIRQBJIK-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1ccc(C)cc1 ZINC000409537081 855530475 /nfs/dbraw/zinc/53/04/75/855530475.db2.gz QZJDEXYNYIXXKE-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1Cc1ccc(C)cc1 ZINC000409539120 855531451 /nfs/dbraw/zinc/53/14/51/855531451.db2.gz XUSGCQVWVKDVGL-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1cccc(C)c1 ZINC000409540103 855532265 /nfs/dbraw/zinc/53/22/65/855532265.db2.gz YDKSGRBYHLAUOY-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000425963199 856019710 /nfs/dbraw/zinc/01/97/10/856019710.db2.gz BPZFEHFZVLEDRQ-UHFFFAOYSA-N 0 2 422.503 4.418 20 5 HIBDLN CSc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl ZINC000430082382 858023625 /nfs/dbraw/zinc/02/36/25/858023625.db2.gz ZRPBQCPAHGFNAT-UHFFFAOYSA-N 0 2 415.905 4.381 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000438779325 864273343 /nfs/dbraw/zinc/27/33/43/864273343.db2.gz OCFOCMMISLXGMB-UHFFFAOYSA-N 0 2 421.500 4.311 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000446967882 870867853 /nfs/dbraw/zinc/86/78/53/870867853.db2.gz UZGJDZIGMXGSAN-UHFFFAOYSA-N 0 2 414.283 4.433 20 5 HIBDLN Cc1sc(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1[N+](=O)[O-] ZINC000447269008 871154480 /nfs/dbraw/zinc/15/44/80/871154480.db2.gz ZCNIIXCIQDLEBR-UHFFFAOYSA-N 0 2 409.420 4.092 20 5 HIBDLN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000468902150 882955503 /nfs/dbraw/zinc/95/55/03/882955503.db2.gz KCXIGAKYLQBDAH-UHFFFAOYSA-N 0 2 414.421 4.083 20 5 HIBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cccc1C(F)(F)F ZINC000463793119 876911840 /nfs/dbraw/zinc/91/18/40/876911840.db2.gz GJBROBPMGGOGPV-UHFFFAOYSA-N 0 2 411.361 4.271 20 5 HIBDLN COc1cc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)ccc1[N+](=O)[O-] ZINC000469044169 883113915 /nfs/dbraw/zinc/11/39/15/883113915.db2.gz QXSRARAQLLZZIK-BQYQJAHWSA-N 0 2 417.468 4.031 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c2ncccc12 ZINC000464423396 877632362 /nfs/dbraw/zinc/63/23/62/877632362.db2.gz ZGLBLYQIMVISHK-UHFFFAOYSA-N 0 2 412.452 4.067 20 5 HIBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000503432971 912434073 /nfs/dbraw/zinc/43/40/73/912434073.db2.gz XHPDJHCUFFQJIR-UHFFFAOYSA-N 0 2 408.439 4.043 20 5 HIBDLN Cc1ccc(-c2cccnc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000475823480 890757553 /nfs/dbraw/zinc/75/75/53/890757553.db2.gz CRCADJDOHPUNBW-UHFFFAOYSA-N 0 2 403.847 4.419 20 5 HIBDLN CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1 ZINC000479385666 894688373 /nfs/dbraw/zinc/68/83/73/894688373.db2.gz ZDQGAMMCXGYWFQ-UHFFFAOYSA-N 0 2 422.488 4.083 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000481062589 896383748 /nfs/dbraw/zinc/38/37/48/896383748.db2.gz RFNGRQJRHFUJMS-UHFFFAOYSA-N 0 2 417.390 4.039 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nc(C)ccc3[N+](=O)[O-])cc2)s1 ZINC000481695039 897080934 /nfs/dbraw/zinc/08/09/34/897080934.db2.gz MWFVXCNVRDBYOU-UHFFFAOYSA-N 0 2 405.457 4.261 20 5 HIBDLN Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)ccc1[N+](=O)[O-] ZINC000486070176 901263556 /nfs/dbraw/zinc/26/35/56/901263556.db2.gz DUAYKVZCGQITKN-UHFFFAOYSA-N 0 2 400.460 4.013 20 5 HIBDLN CSc1cccc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1[N+](=O)[O-] ZINC000486211993 901396344 /nfs/dbraw/zinc/39/63/44/901396344.db2.gz ULNCNVQLOPFZNV-UHFFFAOYSA-N 0 2 406.876 4.163 20 5 HIBDLN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490369879 903962560 /nfs/dbraw/zinc/96/25/60/903962560.db2.gz SBNFWGMTAQOANH-SECBINFHSA-N 0 2 422.228 4.093 20 5 HIBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)s2)c(C)c1 ZINC000493104913 905020698 /nfs/dbraw/zinc/02/06/98/905020698.db2.gz KMHNAMAXCSRIHZ-UHFFFAOYSA-N 0 2 418.500 4.148 20 5 HIBDLN Cc1sc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nc1-c1c(F)cc(F)cc1F ZINC000496050643 906604696 /nfs/dbraw/zinc/60/46/96/906604696.db2.gz DPWBYYBMJVINSU-UHFFFAOYSA-N 0 2 409.345 4.402 20 5 HIBDLN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000498351189 907853065 /nfs/dbraw/zinc/85/30/65/907853065.db2.gz FJEGVMPYSINARO-MUUNZHRXSA-N 0 2 402.472 4.134 20 5 HIBDLN Cc1cc(S(=O)(=O)Nc2cccc3cc(Br)cnc32)ccc1[N+](=O)[O-] ZINC000507551751 916307589 /nfs/dbraw/zinc/30/75/89/916307589.db2.gz OVYBFPGMAXWPPT-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000508368648 917169569 /nfs/dbraw/zinc/16/95/69/917169569.db2.gz BUTVXFUPUHCMNO-FUGJCYLZSA-N 0 2 400.434 4.328 20 5 HIBDLN CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2o1 ZINC000511131137 919746617 /nfs/dbraw/zinc/74/66/17/919746617.db2.gz MWLALIYAJTYGSO-UHFFFAOYSA-N 0 2 409.851 4.488 20 5 HIBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000521897156 929543623 /nfs/dbraw/zinc/54/36/23/929543623.db2.gz PTXMYJNTINIMHB-UHFFFAOYSA-N 0 2 403.847 4.419 20 5 HIBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)s2)c(C)c1 ZINC000544623412 940492446 /nfs/dbraw/zinc/49/24/46/940492446.db2.gz ZZEICTCTGBYSAR-UHFFFAOYSA-N 0 2 418.500 4.148 20 5 HIBDLN CSCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000545368760 940566215 /nfs/dbraw/zinc/56/62/15/940566215.db2.gz GNYWLLFKCHANGB-UHFFFAOYSA-N 0 2 417.306 4.021 20 5 HIBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c2cccnc21 ZINC000551385846 941466353 /nfs/dbraw/zinc/46/63/53/941466353.db2.gz QVFAIWXBPBTEQL-UHFFFAOYSA-N 0 2 416.217 4.390 20 5 HIBDLN O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552214253 941604612 /nfs/dbraw/zinc/60/46/12/941604612.db2.gz FIILGUYGAXGKFC-UHFFFAOYSA-N 0 2 421.196 4.442 20 5 HIBDLN O=C(Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000556917211 942965148 /nfs/dbraw/zinc/96/51/48/942965148.db2.gz ISSRWEMTNYYKQH-UHFFFAOYSA-N 0 2 410.336 4.374 20 5 HIBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2cccc(Br)c2)CC1 ZINC000557065463 943010441 /nfs/dbraw/zinc/01/04/41/943010441.db2.gz SDMDSMDVOVHMBT-UHFFFAOYSA-N 0 2 405.248 4.083 20 5 HIBDLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000557776111 943288469 /nfs/dbraw/zinc/28/84/69/943288469.db2.gz HUENKTXIWZWYBO-UHFFFAOYSA-N 0 2 400.803 4.187 20 5 HIBDLN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560614538 944274835 /nfs/dbraw/zinc/27/48/35/944274835.db2.gz IXKHXLFYCMLUAC-UHFFFAOYSA-N 0 2 403.847 4.050 20 5 HIBDLN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560627550 944279745 /nfs/dbraw/zinc/27/97/45/944279745.db2.gz AGGBEWDTJQWNBI-HKUYNNGSSA-N 0 2 421.856 4.047 20 5 HIBDLN CC(C)[N@H+]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560627550 944279753 /nfs/dbraw/zinc/27/97/53/944279753.db2.gz AGGBEWDTJQWNBI-HKUYNNGSSA-N 0 2 421.856 4.047 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Br)ccc1[N+](=O)[O-] ZINC000572073375 947839879 /nfs/dbraw/zinc/83/98/79/947839879.db2.gz AJAHWBLTTMWBOO-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000030532214 847730707 /nfs/dbraw/zinc/73/07/07/847730707.db2.gz PNSIQSMIIASTHA-UHFFFAOYSA-N 0 2 414.867 4.092 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000436903725 862079656 /nfs/dbraw/zinc/07/96/56/862079656.db2.gz NYQJCQRLXUCBMN-KRWDZBQOSA-N 0 2 408.414 4.108 20 5 HIBDLN CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000055581630 850061581 /nfs/dbraw/zinc/06/15/81/850061581.db2.gz FEMQNHMDIUKTRA-UHFFFAOYSA-N 0 2 411.867 4.034 20 5 HIBDLN COCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000436959504 862141405 /nfs/dbraw/zinc/14/14/05/862141405.db2.gz ADHJTNQBLYDMKA-LBPRGKRZSA-N 0 2 412.364 4.169 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1Br ZINC000221012347 853875241 /nfs/dbraw/zinc/87/52/41/853875241.db2.gz KXOUFRYVJNOVNM-UHFFFAOYSA-N 0 2 416.025 4.078 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000437318582 862585200 /nfs/dbraw/zinc/58/52/00/862585200.db2.gz NHPMLPUFNKMUJL-UHFFFAOYSA-N 0 2 423.372 4.476 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc1Cc1cccc(F)c1 ZINC000409514761 855518221 /nfs/dbraw/zinc/51/82/21/855518221.db2.gz BTXISTJSZMOXRJ-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc1Cc1ccc(F)cc1 ZINC000409522198 855521807 /nfs/dbraw/zinc/52/18/07/855521807.db2.gz QUGJIKQREUEBKM-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN CC(C)(C)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000410405887 855979156 /nfs/dbraw/zinc/97/91/56/855979156.db2.gz KKBJQNMSFFYRPW-UHFFFAOYSA-N 0 2 400.460 4.154 20 5 HIBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)c(C)c1 ZINC000431328630 858567697 /nfs/dbraw/zinc/56/76/97/858567697.db2.gz XAIRRMHONITWRQ-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN O=[N+]([O-])c1ccc(Sc2cccs2)c(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000435134997 860657424 /nfs/dbraw/zinc/65/74/24/860657424.db2.gz LHNZDRDUWCOYHR-UHFFFAOYSA-N 0 2 411.461 4.142 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c(Cl)c1 ZINC000435199096 860692750 /nfs/dbraw/zinc/69/27/50/860692750.db2.gz UKPKGFHRMBMVCD-UHFFFAOYSA-N 0 2 420.878 4.125 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000438774041 864269792 /nfs/dbraw/zinc/26/97/92/864269792.db2.gz IGXYPRWATXDUNN-UHFFFAOYSA-N 0 2 421.500 4.311 20 5 HIBDLN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446971500 870870692 /nfs/dbraw/zinc/87/06/92/870870692.db2.gz MANLPRWHCMJMJA-NSHDSACASA-N 0 2 420.413 4.218 20 5 HIBDLN CCC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000446994758 870882558 /nfs/dbraw/zinc/88/25/58/870882558.db2.gz BABMPIKSFXNGLO-UHFFFAOYSA-N 0 2 402.350 4.007 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c(C(F)(F)F)c1 ZINC000447005239 870887517 /nfs/dbraw/zinc/88/75/17/870887517.db2.gz FXKBVHYGPURWPC-UHFFFAOYSA-N 0 2 412.292 4.016 20 5 HIBDLN CC[C@@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000462329669 875446665 /nfs/dbraw/zinc/44/66/65/875446665.db2.gz YOKYOUDMLFUCFQ-CQSZACIVSA-N 0 2 424.331 4.270 20 5 HIBDLN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000469663948 883857211 /nfs/dbraw/zinc/85/72/11/883857211.db2.gz XFMNMFRFIGJEOL-OAHLLOKOSA-N 0 2 408.458 4.251 20 5 HIBDLN CC[C@H](c1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1)c1ccccc1 ZINC000471518511 886220797 /nfs/dbraw/zinc/22/07/97/886220797.db2.gz SPXVOEGMHODJMO-AWEZNQCLSA-N 0 2 418.500 4.097 20 5 HIBDLN Cc1ccc(-c2cccnc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000475832181 890764877 /nfs/dbraw/zinc/76/48/77/890764877.db2.gz LPPJYFHARGDYSS-UHFFFAOYSA-N 0 2 420.450 4.314 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000476427862 891341154 /nfs/dbraw/zinc/34/11/54/891341154.db2.gz JIRVXQUXXQOYEM-UHFFFAOYSA-N 0 2 408.476 4.028 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000479559356 894857753 /nfs/dbraw/zinc/85/77/53/894857753.db2.gz QMOMAKMLLODCLP-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(Br)sc1Br ZINC000483442748 899076591 /nfs/dbraw/zinc/07/65/91/899076591.db2.gz RZCYMYBEBZQXIF-UHFFFAOYSA-N 0 2 422.054 4.139 20 5 HIBDLN Cc1ccccc1-c1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cs1 ZINC000490368056 903960927 /nfs/dbraw/zinc/96/09/27/903960927.db2.gz NFPOWTIGQXSKMA-UHFFFAOYSA-N 0 2 406.427 4.064 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)c1 ZINC000494443862 905729401 /nfs/dbraw/zinc/72/94/01/905729401.db2.gz JGTFQAHXRFBKJQ-UHFFFAOYSA-N 0 2 415.349 4.172 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000520699891 928747074 /nfs/dbraw/zinc/74/70/74/928747074.db2.gz DNAAZFNNZAHPOQ-UHFFFAOYSA-N 0 2 407.473 4.137 20 5 HIBDLN Cc1sc(NS(=O)(=O)CCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000530891369 930849978 /nfs/dbraw/zinc/84/99/78/930849978.db2.gz LRAOZRDKAAVYJD-UHFFFAOYSA-N 0 2 403.485 4.011 20 5 HIBDLN Cc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2s1 ZINC000533327277 931839238 /nfs/dbraw/zinc/83/92/38/931839238.db2.gz JBUPECJZEJOXNQ-UHFFFAOYSA-N 0 2 417.390 4.333 20 5 HIBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C1CC1 ZINC000535684669 933339352 /nfs/dbraw/zinc/33/93/52/933339352.db2.gz AFQTVAWSHWIVPU-SNVBAGLBSA-N 0 2 412.899 4.402 20 5 HIBDLN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537766608 938373012 /nfs/dbraw/zinc/37/30/12/938373012.db2.gz FIXVSBQUHOHSJX-UHFFFAOYSA-N 0 2 403.391 4.036 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000538753353 938702601 /nfs/dbraw/zinc/70/26/01/938702601.db2.gz JGVZUXXNVRJCPX-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(SCc3cccnc3)cc2)c(F)c1 ZINC000539951347 938980862 /nfs/dbraw/zinc/98/08/62/938980862.db2.gz TXLZADIGHLEHHX-UHFFFAOYSA-N 0 2 419.459 4.222 20 5 HIBDLN CSc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000540497871 939276360 /nfs/dbraw/zinc/27/63/60/939276360.db2.gz IHYHYFPBNMPYEB-UHFFFAOYSA-N 0 2 417.306 4.188 20 5 HIBDLN CC(=C(O)Nc1nc(-c2ccccc2Cl)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000542549934 939842196 /nfs/dbraw/zinc/84/21/96/939842196.db2.gz IFAYKJQBATZQFH-VIFPVBQESA-N 0 2 406.826 4.070 20 5 HIBDLN C[C@@H](C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000569301530 946855368 /nfs/dbraw/zinc/85/53/68/946855368.db2.gz VMLGQBGPSAWIQP-SECBINFHSA-N 0 2 406.229 4.429 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000571109788 947503707 /nfs/dbraw/zinc/50/37/07/947503707.db2.gz LMMGXSBEVRXIOT-UHFFFAOYSA-N 0 2 402.819 4.147 20 5 HIBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000008055470 845467320 /nfs/dbraw/zinc/46/73/20/845467320.db2.gz GWQRVEOWYMBPNO-UHFFFAOYSA-N 0 2 413.455 4.016 20 5 HIBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1CCCC1 ZINC000025504305 846987920 /nfs/dbraw/zinc/98/79/20/846987920.db2.gz LZEUJLHXXBSPOP-UHFFFAOYSA-N 0 2 405.476 4.006 20 5 HIBDLN CCC(=O)c1ccc(O)c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000436659171 861884641 /nfs/dbraw/zinc/88/46/41/861884641.db2.gz QJMMVLCJMXIAEM-UHFFFAOYSA-N 0 2 412.320 4.087 20 5 HIBDLN Cc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc(C)c1OCC(F)(F)F ZINC000436959005 862138838 /nfs/dbraw/zinc/13/88/38/862138838.db2.gz LANHXBZJXWPRHE-UHFFFAOYSA-N 0 2 412.364 4.131 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000437002640 862177369 /nfs/dbraw/zinc/17/73/69/862177369.db2.gz RLCMZEJXEDCDBS-HNNXBMFYSA-N 0 2 409.211 4.179 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000060738727 851200929 /nfs/dbraw/zinc/20/09/29/851200929.db2.gz SMFATZXJKPDOGW-UHFFFAOYSA-N 0 2 412.402 4.078 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)sc1Br ZINC000221013020 853875202 /nfs/dbraw/zinc/87/52/02/853875202.db2.gz DWTJWNUWSWELDX-UHFFFAOYSA-N 0 2 422.054 4.139 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1Cc1ccccc1F ZINC000409537941 855531468 /nfs/dbraw/zinc/53/14/68/855531468.db2.gz URZQYYBYBNNXLC-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000431345660 858573648 /nfs/dbraw/zinc/57/36/48/858573648.db2.gz WLFSJFQHXDZBGO-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN COc1ccc2sc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c(C)c2c1 ZINC000439183736 864612590 /nfs/dbraw/zinc/61/25/90/864612590.db2.gz CBIPIIUXPBFXLA-UHFFFAOYSA-N 0 2 409.427 4.164 20 5 HIBDLN CC(C)[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000445723035 869782181 /nfs/dbraw/zinc/78/21/81/869782181.db2.gz KMYUOKQWLIERMI-SECBINFHSA-N 0 2 409.213 4.157 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3cccc4ccccc43)o2)cc1C ZINC000446776828 870692473 /nfs/dbraw/zinc/69/24/73/870692473.db2.gz PJLCUVSDYHUOFF-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN Cc1cccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)nc21 ZINC000446966798 870865946 /nfs/dbraw/zinc/86/59/46/870865946.db2.gz OTCPOJOTIHGPPC-UHFFFAOYSA-N 0 2 417.390 4.333 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CSC(C)C)c1C ZINC000460822522 873706148 /nfs/dbraw/zinc/70/61/48/873706148.db2.gz FQKPWUYZAFRWEP-UHFFFAOYSA-N 0 2 410.517 4.354 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)cc1[N+](=O)[O-] ZINC000468760651 882846720 /nfs/dbraw/zinc/84/67/20/882846720.db2.gz AKAMHLCBHSYRFY-UHFFFAOYSA-N 0 2 419.484 4.145 20 5 HIBDLN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000469663947 883857320 /nfs/dbraw/zinc/85/73/20/883857320.db2.gz XFMNMFRFIGJEOL-HNNXBMFYSA-N 0 2 408.458 4.251 20 5 HIBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000470786607 885263361 /nfs/dbraw/zinc/26/33/61/885263361.db2.gz OIVCPCYUTUUPBR-UHFFFAOYSA-N 0 2 420.878 4.066 20 5 HIBDLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1)c1ccccc1 ZINC000471508054 886208872 /nfs/dbraw/zinc/20/88/72/886208872.db2.gz NQGVOUFJQOARHX-OAHLLOKOSA-N 0 2 418.500 4.097 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471595081 886308580 /nfs/dbraw/zinc/30/85/80/886308580.db2.gz SEGCZPPEYZECNK-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000475830708 890764304 /nfs/dbraw/zinc/76/43/04/890764304.db2.gz SUWQVZNGPOMHQY-UHFFFAOYSA-N 0 2 402.428 4.281 20 5 HIBDLN COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000476488431 891397624 /nfs/dbraw/zinc/39/76/24/891397624.db2.gz FRDMEQFXPGGYCJ-UHFFFAOYSA-N 0 2 403.778 4.178 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000479994068 895347121 /nfs/dbraw/zinc/34/71/21/895347121.db2.gz XKTXPONZFODUBD-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000483442806 899078145 /nfs/dbraw/zinc/07/81/45/899078145.db2.gz VZOAKIHORISCEJ-UHFFFAOYSA-N 0 2 415.409 4.109 20 5 HIBDLN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c12 ZINC000483449105 899086386 /nfs/dbraw/zinc/08/63/86/899086386.db2.gz YAOZVHVEYOFOKM-UHFFFAOYSA-N 0 2 411.462 4.484 20 5 HIBDLN CCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1 ZINC000491089065 904420944 /nfs/dbraw/zinc/42/09/44/904420944.db2.gz CTOQFNIIHADXEQ-UHFFFAOYSA-N 0 2 413.864 4.057 20 5 HIBDLN CCCCCOc1ccc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000506356520 914975928 /nfs/dbraw/zinc/97/59/28/914975928.db2.gz MWEZYBCBGYTSGX-AWEZNQCLSA-N 0 2 402.447 4.369 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2cc(Br)cnc21 ZINC000507573418 916328421 /nfs/dbraw/zinc/32/84/21/916328421.db2.gz ZSPOIDMLTBSRFL-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc1 ZINC000511740211 920413473 /nfs/dbraw/zinc/41/34/73/920413473.db2.gz UWGTZIPKHWJHEQ-UHFFFAOYSA-N 0 2 412.402 4.078 20 5 HIBDLN Cc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)c(Br)cc1[N+](=O)[O-] ZINC000514764910 922794615 /nfs/dbraw/zinc/79/46/15/922794615.db2.gz OBVKDDVAMXGKFP-UHFFFAOYSA-N 0 2 409.265 4.012 20 5 HIBDLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000541516321 939542059 /nfs/dbraw/zinc/54/20/59/939542059.db2.gz IGVMPUGMQZQFLM-UHFFFAOYSA-N 0 2 411.727 4.304 20 5 HIBDLN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc12 ZINC000541589843 939561893 /nfs/dbraw/zinc/56/18/93/939561893.db2.gz PCTGSXXUPJRWQV-UHFFFAOYSA-N 0 2 412.402 4.401 20 5 HIBDLN CC(C)Oc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000544094842 940324815 /nfs/dbraw/zinc/32/48/15/940324815.db2.gz DICPEFZUMRZCCO-UHFFFAOYSA-N 0 2 406.794 4.114 20 5 HIBDLN Cc1sc(NS(=O)(=O)Cc2ccccc2C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000546563668 940854308 /nfs/dbraw/zinc/85/43/08/940854308.db2.gz HZEJVHJLBVANBY-UHFFFAOYSA-N 0 2 403.485 4.277 20 5 HIBDLN CC(C)(C)c1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000567540627 946367810 /nfs/dbraw/zinc/36/78/10/946367810.db2.gz ZEKFPNNBPVGWPG-UHFFFAOYSA-N 0 2 403.382 4.107 20 5 HIBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 ZINC000573671223 948272742 /nfs/dbraw/zinc/27/27/42/948272742.db2.gz UCSVSVASWKYSGH-UHFFFAOYSA-N 0 2 409.876 4.096 20 5 HIBDLN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000437004731 862180172 /nfs/dbraw/zinc/18/01/72/862180172.db2.gz WVJUSXAZHDFKKZ-CYBMUJFWSA-N 0 2 404.850 4.057 20 5 HIBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000112661824 853237548 /nfs/dbraw/zinc/23/75/48/853237548.db2.gz XLUVGDMWEOXGAU-UHFFFAOYSA-N 0 2 410.757 4.098 20 5 HIBDLN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C\c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000229864143 853893603 /nfs/dbraw/zinc/89/36/03/853893603.db2.gz CDURFDAPQVXBOA-XYOKQWHBSA-N 0 2 402.819 4.141 20 5 HIBDLN Cc1cc(Cl)ccc1Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000409529992 855525585 /nfs/dbraw/zinc/52/55/85/855525585.db2.gz WIYJXZHYEXYTME-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN COc1cncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1 ZINC000410380524 855963602 /nfs/dbraw/zinc/96/36/02/855963602.db2.gz IYABPBUJTIPHHR-UHFFFAOYSA-N 0 2 423.497 4.012 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2ccccc2C(C)(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437402048 862749645 /nfs/dbraw/zinc/74/96/45/862749645.db2.gz AVEOXHYAOKVYEV-UHFFFAOYSA-N 0 2 414.487 4.187 20 5 HIBDLN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000426959118 856563373 /nfs/dbraw/zinc/56/33/73/856563373.db2.gz GOWDNUZYMJJNED-UHFFFAOYSA-N 0 2 403.847 4.182 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000443529022 868087020 /nfs/dbraw/zinc/08/70/20/868087020.db2.gz KKIKVHZCXJHEKE-UHFFFAOYSA-N 0 2 422.356 4.174 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)s1 ZINC000443973682 868503410 /nfs/dbraw/zinc/50/34/10/868503410.db2.gz ZQMRVWJPLRYOAI-NSHDSACASA-N 0 2 418.777 4.031 20 5 HIBDLN Cc1ccccc1[C@H](CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000443976924 868504783 /nfs/dbraw/zinc/50/47/83/868504783.db2.gz BUVSLNQNYRWCHW-ZDUSSCGKSA-N 0 2 406.357 4.014 20 5 HIBDLN C[C@H](Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1)CC(C)(C)C ZINC000446773028 870684855 /nfs/dbraw/zinc/68/48/55/870684855.db2.gz OWHPWXXWWNJOOG-SNVBAGLBSA-N 0 2 416.887 4.047 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)c1C ZINC000446772579 870685966 /nfs/dbraw/zinc/68/59/66/870685966.db2.gz KCNVNFOJRLARSP-NSHDSACASA-N 0 2 410.496 4.010 20 5 HIBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)c1[N+](=O)[O-] ZINC000446777152 870692754 /nfs/dbraw/zinc/69/27/54/870692754.db2.gz QNOJORBVKLPXCY-NSHDSACASA-N 0 2 410.496 4.010 20 5 HIBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446969548 870869370 /nfs/dbraw/zinc/86/93/70/870869370.db2.gz MOLDSOSUMKUIDG-UHFFFAOYSA-N 0 2 420.413 4.110 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)c(C(F)(F)F)c1 ZINC000446986562 870879795 /nfs/dbraw/zinc/87/97/95/870879795.db2.gz IPQNNNQLQQJOOC-UHFFFAOYSA-N 0 2 403.363 4.024 20 5 HIBDLN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381367 875492884 /nfs/dbraw/zinc/49/28/84/875492884.db2.gz VFVSKUDYVXVZGD-OAHLLOKOSA-N 0 2 403.504 4.064 20 5 HIBDLN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381367 875492894 /nfs/dbraw/zinc/49/28/94/875492894.db2.gz VFVSKUDYVXVZGD-OAHLLOKOSA-N 0 2 403.504 4.064 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381367 875492905 /nfs/dbraw/zinc/49/29/05/875492905.db2.gz VFVSKUDYVXVZGD-OAHLLOKOSA-N 0 2 403.504 4.064 20 5 HIBDLN CCOc1c(Cl)cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1Cl ZINC000464538690 877754610 /nfs/dbraw/zinc/75/46/10/877754610.db2.gz QKPMNJGDPBQRSF-UHFFFAOYSA-N 0 2 421.258 4.110 20 5 HIBDLN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(Cl)cc1F ZINC000471116490 885652117 /nfs/dbraw/zinc/65/21/17/885652117.db2.gz NSFTYSNIPGFJBE-UHFFFAOYSA-N 0 2 410.757 4.098 20 5 HIBDLN CC[C@H](c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1)c1ccccc1 ZINC000471516716 886219938 /nfs/dbraw/zinc/21/99/38/886219938.db2.gz RXYFVAYNWBCIDT-HNNXBMFYSA-N 0 2 418.500 4.097 20 5 HIBDLN CC[C@@H](c1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1)c1ccccc1 ZINC000471518512 886220401 /nfs/dbraw/zinc/22/04/01/886220401.db2.gz SPXVOEGMHODJMO-CQSZACIVSA-N 0 2 418.500 4.097 20 5 HIBDLN O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000476560852 891479271 /nfs/dbraw/zinc/47/92/71/891479271.db2.gz GDVMIHRGPDZYFU-UHFFFAOYSA-N 0 2 420.244 4.439 20 5 HIBDLN Cc1coc(-c2cc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc2C)n1 ZINC000477410383 892362394 /nfs/dbraw/zinc/36/23/94/892362394.db2.gz FDADGGPOUKKSEJ-UHFFFAOYSA-N 0 2 401.444 4.284 20 5 HIBDLN CCc1c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cnn1C(CC)CC ZINC000480235420 895640580 /nfs/dbraw/zinc/64/05/80/895640580.db2.gz YLNGFCZFJBDMEZ-UHFFFAOYSA-N 0 2 414.915 4.477 20 5 HIBDLN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000483442833 899077802 /nfs/dbraw/zinc/07/78/02/899077802.db2.gz WFAGVFJKUWPSPH-UHFFFAOYSA-N 0 2 404.382 4.307 20 5 HIBDLN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2F)cc(Br)cc1[N+](=O)[O-] ZINC000485393514 900690331 /nfs/dbraw/zinc/69/03/31/900690331.db2.gz BDZWFWSFOAJBST-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490365238 903957458 /nfs/dbraw/zinc/95/74/58/903957458.db2.gz JRRRATAQYLCWMN-UHFFFAOYSA-N 0 2 406.427 4.064 20 5 HIBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1[N+](=O)[O-] ZINC000499263741 908638877 /nfs/dbraw/zinc/63/88/77/908638877.db2.gz KQJZOXHULFRCIU-UHFFFAOYSA-N 0 2 414.915 4.333 20 5 HIBDLN O=C(Nc1nc(-c2ccccc2)c(Br)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000501340831 910478320 /nfs/dbraw/zinc/47/83/20/910478320.db2.gz NCHHXXLAJWXOSI-UHFFFAOYSA-N 0 2 420.244 4.439 20 5 HIBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000506627504 915289781 /nfs/dbraw/zinc/28/97/81/915289781.db2.gz OXVCFSKTEHBSFL-UHFFFAOYSA-N 0 2 419.413 4.413 20 5 HIBDLN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000507667201 916433821 /nfs/dbraw/zinc/43/38/21/916433821.db2.gz UOKFZDCYXBSOOF-UHFFFAOYSA-N 0 2 408.458 4.176 20 5 HIBDLN Cc1cc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])cc(C)c1OCC(F)(F)F ZINC000507748133 916539823 /nfs/dbraw/zinc/53/98/23/916539823.db2.gz NXXCOHZLVMWMCJ-UHFFFAOYSA-N 0 2 412.364 4.131 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000518741269 927468898 /nfs/dbraw/zinc/46/88/98/927468898.db2.gz UEPLLSNVGYYQKK-UHFFFAOYSA-N 0 2 419.459 4.134 20 5 HIBDLN CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)c1 ZINC000521025673 928943025 /nfs/dbraw/zinc/94/30/25/928943025.db2.gz VADGQFYLLMDWAT-UHFFFAOYSA-N 0 2 423.800 4.134 20 5 HIBDLN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000521673075 929359417 /nfs/dbraw/zinc/35/94/17/929359417.db2.gz UDJYJRQXSJOXER-UHFFFAOYSA-N 0 2 414.487 4.187 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000524553975 929682534 /nfs/dbraw/zinc/68/25/34/929682534.db2.gz ALBJPHQGTKJLLR-BQYQJAHWSA-N 0 2 417.468 4.031 20 5 HIBDLN C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000525186681 930080422 /nfs/dbraw/zinc/08/04/22/930080422.db2.gz JRCDKTOIJCXFCQ-KCJUWKMLSA-N 0 2 405.259 4.097 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c(Cl)c1 ZINC000534942199 932849432 /nfs/dbraw/zinc/84/94/32/932849432.db2.gz GGYRSQHDTOFQQY-UHFFFAOYSA-N 0 2 403.847 4.035 20 5 HIBDLN O=C(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000540507904 939281221 /nfs/dbraw/zinc/28/12/21/939281221.db2.gz RLIKSLHVPLPLCD-UHFFFAOYSA-N 0 2 409.398 4.124 20 5 HIBDLN C[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000541797147 939634871 /nfs/dbraw/zinc/63/48/71/939634871.db2.gz PKMKHSQSYHWEKO-SNVBAGLBSA-N 0 2 403.851 4.071 20 5 HIBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000544407915 940415288 /nfs/dbraw/zinc/41/52/88/940415288.db2.gz KHAVKAHJULNVIY-UHFFFAOYSA-N 0 2 414.421 4.465 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccccn3)cc2)c2ncccc12 ZINC000564015150 945350728 /nfs/dbraw/zinc/35/07/28/945350728.db2.gz YMPXOMXBUCFOOE-UHFFFAOYSA-N 0 2 406.423 4.006 20 5 HIBDLN O=C(NC(Cc1ccccc1F)Cc1ccccc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000552364353 941645477 /nfs/dbraw/zinc/64/54/77/941645477.db2.gz HVTAAEYUFGJVKK-UHFFFAOYSA-N 0 2 412.392 4.162 20 5 HIBDLN CC1(C)CCCc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)nc21 ZINC000555142451 942401704 /nfs/dbraw/zinc/40/17/04/942401704.db2.gz KDRBIDNSVBRURM-UHFFFAOYSA-N 0 2 418.500 4.014 20 5 HIBDLN C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4cc(O)ccc4[N+](=O)[O-])cc3)ccc2O1 ZINC000556943534 942975932 /nfs/dbraw/zinc/97/59/32/942975932.db2.gz NNFDMGIPGNJPQS-AWEZNQCLSA-N 0 2 404.422 4.221 20 5 HIBDLN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436972568 862151642 /nfs/dbraw/zinc/15/16/42/862151642.db2.gz OQRIGGFUOOFQID-UHFFFAOYSA-N 0 2 401.394 4.211 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Br ZINC000314053382 855374753 /nfs/dbraw/zinc/37/47/53/855374753.db2.gz PGCZHGOXKYOIHE-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1c(Br)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000318538185 855384650 /nfs/dbraw/zinc/38/46/50/855384650.db2.gz KENDLPNRKSXVAQ-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1cccc(Cl)c1 ZINC000409520443 855520778 /nfs/dbraw/zinc/52/07/78/855520778.db2.gz QGNVRWOCYZKJED-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000443406432 867988014 /nfs/dbraw/zinc/98/80/14/867988014.db2.gz DYTPJTPOSJYLKF-UHFFFAOYSA-N 0 2 419.484 4.226 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)c1C ZINC000446772537 870685204 /nfs/dbraw/zinc/68/52/04/870685204.db2.gz JQTINKMCNUYQHO-LLVKDONJSA-N 0 2 410.496 4.010 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2cccc3ccccc32)o1 ZINC000446776314 870690924 /nfs/dbraw/zinc/69/09/24/870690924.db2.gz MLNWCQZBOKEYLY-UHFFFAOYSA-N 0 2 424.438 4.161 20 5 HIBDLN CSCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000446987528 870879627 /nfs/dbraw/zinc/87/96/27/870879627.db2.gz SNTOERGXQJWTIV-UHFFFAOYSA-N 0 2 406.407 4.277 20 5 HIBDLN Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463530830 876607767 /nfs/dbraw/zinc/60/77/67/876607767.db2.gz DXLMUSNOUZLQGM-UHFFFAOYSA-N 0 2 420.450 4.314 20 5 HIBDLN Cc1c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2ccc1F ZINC000464912519 878229716 /nfs/dbraw/zinc/22/97/16/878229716.db2.gz OQAGDNMGHYPMSZ-UHFFFAOYSA-N 0 2 401.828 4.106 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c(Cl)c1 ZINC000504043657 912952399 /nfs/dbraw/zinc/95/23/99/912952399.db2.gz RTLGAHDMIKOBRO-UHFFFAOYSA-N 0 2 413.185 4.304 20 5 HIBDLN O=C(CCc1nc2cc(Br)ccc2s1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483436438 899070273 /nfs/dbraw/zinc/07/02/73/899070273.db2.gz IJIVBVCOZAVUAH-UHFFFAOYSA-N 0 2 422.260 4.244 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1C ZINC000486080894 901271939 /nfs/dbraw/zinc/27/19/39/901271939.db2.gz PCCAVJAHJISLRF-UHFFFAOYSA-N 0 2 414.487 4.322 20 5 HIBDLN C[C@H](Oc1cccnc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000494111237 905457951 /nfs/dbraw/zinc/45/79/51/905457951.db2.gz GKRLRHQZKWJBON-HNNXBMFYSA-N 0 2 413.455 4.072 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000497780776 907274383 /nfs/dbraw/zinc/27/43/83/907274383.db2.gz BALFGQJFPPWHBK-UHFFFAOYSA-N 0 2 420.450 4.493 20 5 HIBDLN O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000508368660 917169685 /nfs/dbraw/zinc/16/96/85/917169685.db2.gz BUTVXFUPUHCMNO-RLVCRIBASA-N 0 2 400.434 4.328 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000514763522 922791947 /nfs/dbraw/zinc/79/19/47/922791947.db2.gz LDRRSTOBVLUEGZ-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1nc(-c2ccccc2)sc1[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521154730 929029522 /nfs/dbraw/zinc/02/95/22/929029522.db2.gz FJVJHJZWPTUGGZ-LBPRGKRZSA-N 0 2 421.475 4.205 20 5 HIBDLN C[C@@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000525186683 930080363 /nfs/dbraw/zinc/08/03/63/930080363.db2.gz JRCDKTOIJCXFCQ-LDYMZIIASA-N 0 2 405.259 4.097 20 5 HIBDLN O=C(Nc1cc(Cl)cc(Br)c1O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000533969106 932145011 /nfs/dbraw/zinc/14/50/11/932145011.db2.gz PZYXYIAJPYSIHK-UHFFFAOYSA-N 0 2 410.611 4.450 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1C(F)(F)F ZINC000538451811 938625711 /nfs/dbraw/zinc/62/57/11/938625711.db2.gz VOCOCYMHTLOKEK-UHFFFAOYSA-N 0 2 411.361 4.271 20 5 HIBDLN COc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000542931666 939880832 /nfs/dbraw/zinc/88/08/32/939880832.db2.gz ITVJIYALMVPFQN-UHFFFAOYSA-N 0 2 411.650 4.364 20 5 HIBDLN COc1ccc(-c2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)s2)cc1OC ZINC000551315826 941450476 /nfs/dbraw/zinc/45/04/76/941450476.db2.gz LRFWJSAORLQYDL-UHFFFAOYSA-N 0 2 415.427 4.002 20 5 HIBDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000552259019 941615718 /nfs/dbraw/zinc/61/57/18/941615718.db2.gz KDMRVGPQKQNRJT-UHFFFAOYSA-N 0 2 417.381 4.130 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000554747761 942219731 /nfs/dbraw/zinc/21/97/31/942219731.db2.gz VFDPZQKXCUSBSM-BQYQJAHWSA-N 0 2 417.468 4.031 20 5 HIBDLN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000560627562 944279707 /nfs/dbraw/zinc/27/97/07/944279707.db2.gz AGGBEWDTJQWNBI-IEBWSBKVSA-N 0 2 421.856 4.047 20 5 HIBDLN CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000560627562 944279713 /nfs/dbraw/zinc/27/97/13/944279713.db2.gz AGGBEWDTJQWNBI-IEBWSBKVSA-N 0 2 421.856 4.047 20 5 HIBDLN O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000574942380 948559666 /nfs/dbraw/zinc/55/96/66/948559666.db2.gz QHTNDJUZOIWURG-UHFFFAOYSA-N 0 2 402.410 4.211 20 5 HIBDLN CC(=O)c1ccc(O)c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000436798432 861991234 /nfs/dbraw/zinc/99/12/34/861991234.db2.gz TWTHOBZNZQPZPU-UHFFFAOYSA-N 0 2 406.394 4.334 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1cc(Br)ccc1F)C1CC1 ZINC000436947499 862125556 /nfs/dbraw/zinc/12/55/56/862125556.db2.gz MMYGKKREPJKPKT-UHFFFAOYSA-N 0 2 409.211 4.007 20 5 HIBDLN CCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000057724406 850703252 /nfs/dbraw/zinc/70/32/52/850703252.db2.gz OKISYXNNGVMHHM-UHFFFAOYSA-N 0 2 413.864 4.057 20 5 HIBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)ccc1Cl ZINC000057734950 850705356 /nfs/dbraw/zinc/70/53/56/850705356.db2.gz FAAKJYMVMRZFBJ-UHFFFAOYSA-N 0 2 404.256 4.312 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000108358406 852843046 /nfs/dbraw/zinc/84/30/46/852843046.db2.gz ZFSJYVOIWMQZMU-UHFFFAOYSA-N 0 2 414.867 4.092 20 5 HIBDLN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000322394822 855392416 /nfs/dbraw/zinc/39/24/16/855392416.db2.gz NFGFRBUCRVQENT-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c1C ZINC000431333651 858570299 /nfs/dbraw/zinc/57/02/99/858570299.db2.gz SHNARZVWGLRALI-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN Cc1c(Br)cc(S(=O)(=O)Nc2ncc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000438785505 864278089 /nfs/dbraw/zinc/27/80/89/864278089.db2.gz OMUMPNFEJVRLDR-UHFFFAOYSA-N 0 2 420.310 4.046 20 5 HIBDLN O=C(CCCC(=O)c1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000446224662 870161023 /nfs/dbraw/zinc/16/10/23/870161023.db2.gz HEFMLCRONPBQQC-UHFFFAOYSA-N 0 2 407.220 4.055 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)c1C ZINC000446772538 870685645 /nfs/dbraw/zinc/68/56/45/870685645.db2.gz JQTINKMCNUYQHO-NSHDSACASA-N 0 2 410.496 4.010 20 5 HIBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)o2)c(C)c1 ZINC000446773385 870688050 /nfs/dbraw/zinc/68/80/50/870688050.db2.gz CCBVPCKTBCEWFL-UHFFFAOYSA-N 0 2 422.850 4.024 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccc3ccccc3c2)o1 ZINC000446776721 870693317 /nfs/dbraw/zinc/69/33/17/870693317.db2.gz OSAGKDORLVLPLE-UHFFFAOYSA-N 0 2 424.438 4.161 20 5 HIBDLN CC(C)(C)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000446966508 870865974 /nfs/dbraw/zinc/86/59/74/870865974.db2.gz MYHIETXMWGZWFX-UHFFFAOYSA-N 0 2 409.411 4.168 20 5 HIBDLN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381366 875493468 /nfs/dbraw/zinc/49/34/68/875493468.db2.gz VFVSKUDYVXVZGD-HNNXBMFYSA-N 0 2 403.504 4.064 20 5 HIBDLN Cc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381366 875493477 /nfs/dbraw/zinc/49/34/77/875493477.db2.gz VFVSKUDYVXVZGD-HNNXBMFYSA-N 0 2 403.504 4.064 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381366 875493483 /nfs/dbraw/zinc/49/34/83/875493483.db2.gz VFVSKUDYVXVZGD-HNNXBMFYSA-N 0 2 403.504 4.064 20 5 HIBDLN Cn1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463105027 876141857 /nfs/dbraw/zinc/14/18/57/876141857.db2.gz LXJYWYMNJYNXKL-UHFFFAOYSA-N 0 2 407.213 4.260 20 5 HIBDLN Cc1c(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cccc1[N+](=O)[O-] ZINC000463161079 876215204 /nfs/dbraw/zinc/21/52/04/876215204.db2.gz HEIKSAJVVIGDIR-UHFFFAOYSA-N 0 2 406.229 4.176 20 5 HIBDLN Cc1ccc(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463522066 876590110 /nfs/dbraw/zinc/59/01/10/876590110.db2.gz GXOXBAXVIYJWRJ-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c2ncccc12 ZINC000463776791 876896597 /nfs/dbraw/zinc/89/65/97/876896597.db2.gz HRFAEJNHJKSEKO-UHFFFAOYSA-N 0 2 411.361 4.049 20 5 HIBDLN Cc1cc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)nc2c(C)c1 ZINC000464414017 877620456 /nfs/dbraw/zinc/62/04/56/877620456.db2.gz ZDRCNOXUZNTHQL-UHFFFAOYSA-N 0 2 414.468 4.170 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccc(O)cc32)c(C(F)(F)F)c1 ZINC000484593991 900057185 /nfs/dbraw/zinc/05/71/85/900057185.db2.gz VSVZMQIAYOWUSZ-UHFFFAOYSA-N 0 2 412.345 4.273 20 5 HIBDLN Cc1c(NS(=O)(=O)c2cc(F)ccc2Cl)cc(Br)cc1[N+](=O)[O-] ZINC000485397039 900693908 /nfs/dbraw/zinc/69/39/08/900693908.db2.gz QIJWVPNCADNVHY-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490372125 903964341 /nfs/dbraw/zinc/96/43/41/903964341.db2.gz RADUGVHWMLSCSY-SECBINFHSA-N 0 2 422.228 4.093 20 5 HIBDLN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490372131 903964555 /nfs/dbraw/zinc/96/45/55/903964555.db2.gz RADUGVHWMLSCSY-VIFPVBQESA-N 0 2 422.228 4.093 20 5 HIBDLN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000490607177 904132583 /nfs/dbraw/zinc/13/25/83/904132583.db2.gz LOLPBSFJXMGWOK-UHFFFAOYSA-N 0 2 411.727 4.304 20 5 HIBDLN Cn1c(SCc2nc(=O)c3sccc3[nH]2)nc2cc3ccccc3cc2c1=O ZINC000495389856 906421704 /nfs/dbraw/zinc/42/17/04/906421704.db2.gz VNIRMEKPXPYHER-UHFFFAOYSA-N 0 2 406.492 4.089 20 5 HIBDLN O=C(NCCc1cccc(OCCCc2ccccc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000512685736 921287403 /nfs/dbraw/zinc/28/74/03/921287403.db2.gz DDAHWRDRWKGKSF-UHFFFAOYSA-N 0 2 420.465 4.285 20 5 HIBDLN CC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000512749343 921300956 /nfs/dbraw/zinc/30/09/56/921300956.db2.gz NPWVMLVNQMLRIT-LBPRGKRZSA-N 0 2 407.264 4.062 20 5 HIBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000503065880 912032254 /nfs/dbraw/zinc/03/22/54/912032254.db2.gz BGVNUEGXXHOEOE-UHFFFAOYSA-N 0 2 406.514 4.351 20 5 HIBDLN O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000511696331 920361771 /nfs/dbraw/zinc/36/17/71/920361771.db2.gz BRQOWLURUPXXMX-UHFFFAOYSA-N 0 2 424.284 4.002 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000517186933 924043605 /nfs/dbraw/zinc/04/36/05/924043605.db2.gz NRIJIYOQJDXDOB-UHFFFAOYSA-N 0 2 404.256 4.312 20 5 HIBDLN C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000541797145 939634602 /nfs/dbraw/zinc/63/46/02/939634602.db2.gz PKMKHSQSYHWEKO-JTQLQIEISA-N 0 2 403.851 4.071 20 5 HIBDLN Cc1cccc(Cc2cnc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)c1Cl ZINC000554513713 942161854 /nfs/dbraw/zinc/16/18/54/942161854.db2.gz AREWJOQTBJTHRH-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN Cn1c(Cc2cccs2)nc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc21 ZINC000561226210 944518987 /nfs/dbraw/zinc/51/89/87/944518987.db2.gz PNUCFUXOHQAETD-UHFFFAOYSA-N 0 2 408.439 4.092 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cccc(Cl)c3Cl)sc2c1 ZINC000571389070 947631085 /nfs/dbraw/zinc/63/10/85/947631085.db2.gz ALASNNSUTPLTJD-UHFFFAOYSA-N 0 2 404.256 4.312 20 5 HIBDLN CC(F)(F)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000436162449 861464636 /nfs/dbraw/zinc/46/46/36/861464636.db2.gz OBKVUDKINJVLTG-UHFFFAOYSA-N 0 2 421.219 4.270 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Nc1ccc(C)cc1 ZINC000028808117 847463812 /nfs/dbraw/zinc/46/38/12/847463812.db2.gz ZIDRFGBQTBGTJK-UHFFFAOYSA-N 0 2 413.455 4.456 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000436483001 861820321 /nfs/dbraw/zinc/82/03/21/861820321.db2.gz BILRQFJMYNQOFK-UHFFFAOYSA-N 0 2 412.339 4.420 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000436902140 862077707 /nfs/dbraw/zinc/07/77/07/862077707.db2.gz JBDJLPHZTHTCEN-UHFFFAOYSA-N 0 2 403.232 4.145 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2cccc3ccccc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437203044 862392622 /nfs/dbraw/zinc/39/26/22/862392622.db2.gz YFRCBHQEKRZXTM-UHFFFAOYSA-N 0 2 408.439 4.043 20 5 HIBDLN O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000327663479 855419234 /nfs/dbraw/zinc/41/92/34/855419234.db2.gz HWMZJNBPNDCVLA-UHFFFAOYSA-N 0 2 421.125 4.214 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)c([N+](=O)[O-])c1 ZINC000409500263 855510390 /nfs/dbraw/zinc/51/03/90/855510390.db2.gz JEUCPHYGRRODSE-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1ccccc1Cl ZINC000409512054 855516204 /nfs/dbraw/zinc/51/62/04/855516204.db2.gz HSTPLVRKGRWOGR-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1Cc1ccccc1F ZINC000409538662 855531269 /nfs/dbraw/zinc/53/12/69/855531269.db2.gz XBTHXBASOHLWET-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1Cc1cccc(C)c1 ZINC000409541300 855533128 /nfs/dbraw/zinc/53/31/28/855533128.db2.gz QLUKMBGUGLYWHG-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1Cl ZINC000432643399 859268327 /nfs/dbraw/zinc/26/83/27/859268327.db2.gz JTLZSQWDNLNWOI-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN Cc1c(Br)cc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000438799639 864291474 /nfs/dbraw/zinc/29/14/74/864291474.db2.gz IYXJUQNPGUDAES-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1ccc(-n2ncc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C(C)C)cc1 ZINC000442253283 867291515 /nfs/dbraw/zinc/29/15/15/867291515.db2.gz QVSHQCOKNPAJRF-UHFFFAOYSA-N 0 2 400.460 4.013 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3ccc4ccccc4c3)o2)c1C ZINC000446769697 870682978 /nfs/dbraw/zinc/68/29/78/870682978.db2.gz NPVGYCRQTYHVQL-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3cccc4ccccc43)o2)c1C ZINC000446777257 870693709 /nfs/dbraw/zinc/69/37/09/870693709.db2.gz QPZHBGRQGADVAZ-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN Cc1cnc([C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000462389257 875499637 /nfs/dbraw/zinc/49/96/37/875499637.db2.gz BTVPUBSSCOTZFK-GFCCVEGCSA-N 0 2 422.315 4.096 20 5 HIBDLN COc1cc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)ccc1[N+](=O)[O-] ZINC000469080222 883166055 /nfs/dbraw/zinc/16/60/55/883166055.db2.gz RFACJTPSNRCVQE-UHFFFAOYSA-N 0 2 415.452 4.167 20 5 HIBDLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000479135964 894404188 /nfs/dbraw/zinc/40/41/88/894404188.db2.gz BOIKKVYZNZAHAD-UHFFFAOYSA-N 0 2 420.878 4.160 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc2c(cccc2Cl)s1 ZINC000479136689 894406217 /nfs/dbraw/zinc/40/62/17/894406217.db2.gz VSZBGIPQVCEUDR-UHFFFAOYSA-N 0 2 404.256 4.312 20 5 HIBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c2cccnc12 ZINC000481838054 897203838 /nfs/dbraw/zinc/20/38/38/897203838.db2.gz HLKIIYCITWBRGG-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2cccnc12 ZINC000481855453 897222759 /nfs/dbraw/zinc/22/27/59/897222759.db2.gz DVKPGGWHGOHPQC-UHFFFAOYSA-N 0 2 411.361 4.271 20 5 HIBDLN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483433330 899064988 /nfs/dbraw/zinc/06/49/88/899064988.db2.gz BIQWJIBTEZFNKB-UHFFFAOYSA-N 0 2 408.458 4.042 20 5 HIBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000483444055 899078307 /nfs/dbraw/zinc/07/83/07/899078307.db2.gz TVPWHAAEKGGWAX-UHFFFAOYSA-N 0 2 422.166 4.109 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1[N+](=O)[O-] ZINC000491573355 904657027 /nfs/dbraw/zinc/65/70/27/904657027.db2.gz RXZGTNCGMGHPCI-UHFFFAOYSA-N 0 2 414.487 4.322 20 5 HIBDLN O=C(Nc1cccc(COCCOc2ccccc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507658581 916421978 /nfs/dbraw/zinc/42/19/78/916421978.db2.gz HACWKLHFECLGSM-UHFFFAOYSA-N 0 2 408.410 4.148 20 5 HIBDLN O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000509615357 918264819 /nfs/dbraw/zinc/26/48/19/918264819.db2.gz USBROMMZMGHWNG-UHFFFAOYSA-N 0 2 416.842 4.280 20 5 HIBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000511128328 919742073 /nfs/dbraw/zinc/74/20/73/919742073.db2.gz ABBRFEUPCYUNBA-UHFFFAOYSA-N 0 2 413.185 4.304 20 5 HIBDLN O=C(NCC1(c2ccc(Br)cc2)CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000513574778 921906458 /nfs/dbraw/zinc/90/64/58/921906458.db2.gz YWBWGLQPCBHGON-UHFFFAOYSA-N 0 2 419.275 4.305 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(SCc3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000513783903 922110314 /nfs/dbraw/zinc/11/03/14/922110314.db2.gz HKNYZGCWXBWRJQ-UHFFFAOYSA-N 0 2 415.496 4.391 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2cccc(COC3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000520018209 928242242 /nfs/dbraw/zinc/24/22/42/928242242.db2.gz BCLWZCAHNQBGPP-UHFFFAOYSA-N 0 2 420.487 4.254 20 5 HIBDLN Cc1ncc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000534059788 932239167 /nfs/dbraw/zinc/23/91/67/932239167.db2.gz IYZFYFHOODJWLD-UHFFFAOYSA-N 0 2 403.847 4.419 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)ccc2c1 ZINC000539552376 938878993 /nfs/dbraw/zinc/87/89/93/938878993.db2.gz HTSLXFBGAOKQGR-UHFFFAOYSA-N 0 2 415.324 4.102 20 5 HIBDLN CCOc1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000539598926 938886040 /nfs/dbraw/zinc/88/60/40/938886040.db2.gz ZVSLJBQVOFSSBW-UHFFFAOYSA-N 0 2 422.793 4.049 20 5 HIBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000539856116 938958700 /nfs/dbraw/zinc/95/87/00/938958700.db2.gz MIZFMJKKPAVTPL-UHFFFAOYSA-N 0 2 424.784 4.214 20 5 HIBDLN CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000542738970 939858264 /nfs/dbraw/zinc/85/82/64/939858264.db2.gz ONVWIFPDMNUHCQ-UHFFFAOYSA-N 0 2 408.476 4.109 20 5 HIBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1C(F)(F)F ZINC000543858406 940212435 /nfs/dbraw/zinc/21/24/35/940212435.db2.gz PVCHBHIXEJUHQB-UHFFFAOYSA-N 0 2 412.292 4.016 20 5 HIBDLN Cc1ccccc1CS(=O)(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000547268585 941049047 /nfs/dbraw/zinc/04/90/47/941049047.db2.gz YLLWFTWGVUQVGY-UHFFFAOYSA-N 0 2 403.485 4.277 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncc(-c2ccccc2F)s1 ZINC000549606740 941201127 /nfs/dbraw/zinc/20/11/27/941201127.db2.gz MFARZDRHRVPARO-UHFFFAOYSA-N 0 2 413.839 4.312 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000554725714 942212896 /nfs/dbraw/zinc/21/28/96/942212896.db2.gz IUVOJHCOBPZWDT-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)cc1C ZINC000556256282 942827612 /nfs/dbraw/zinc/82/76/12/942827612.db2.gz LCLGSQBVXJQXHT-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000560628161 944279690 /nfs/dbraw/zinc/27/96/90/944279690.db2.gz FPULXKCHDNGINB-OAHLLOKOSA-N 0 2 413.430 4.370 20 5 HIBDLN COc1ccc2c(c1)CCC[C@]2([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000571269842 947575837 /nfs/dbraw/zinc/57/58/37/947575837.db2.gz FYISTWAINNKSLT-HSZRJFAPSA-N 0 2 422.437 4.269 20 5 HIBDLN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)on1 ZINC000436892169 862067687 /nfs/dbraw/zinc/06/76/87/862067687.db2.gz IETGIBGQUGSFIT-UHFFFAOYSA-N 0 2 419.393 4.047 20 5 HIBDLN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436890241 862067770 /nfs/dbraw/zinc/06/77/70/862067770.db2.gz FCMMXIUOXJSTSJ-UHFFFAOYSA-N 0 2 416.821 4.055 20 5 HIBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000436977493 862157282 /nfs/dbraw/zinc/15/72/82/862157282.db2.gz FUOUVXDCHJKGFE-NRFANRHFSA-N 0 2 409.417 4.395 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1C ZINC000060498755 851122097 /nfs/dbraw/zinc/12/20/97/851122097.db2.gz OIKVPIPXWRRXJO-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc([N+](=O)[O-])c(C)n3)cc2)s1 ZINC000301631727 854434064 /nfs/dbraw/zinc/43/40/64/854434064.db2.gz JGVASIRWJGJCAC-UHFFFAOYSA-N 0 2 405.457 4.261 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1Cc1cccc(C)c1 ZINC000409540835 855533138 /nfs/dbraw/zinc/53/31/38/855533138.db2.gz JUFYJFQDXIGCHS-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000425979291 856028647 /nfs/dbraw/zinc/02/86/47/856028647.db2.gz KPGKUMSKTIPHIX-UHFFFAOYSA-N 0 2 422.503 4.418 20 5 HIBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)s2)c(C)c1 ZINC000431325957 858565986 /nfs/dbraw/zinc/56/59/86/858565986.db2.gz LAHCFEYKKFTVIC-UHFFFAOYSA-N 0 2 418.500 4.148 20 5 HIBDLN CC(C)[C@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000445723036 869782257 /nfs/dbraw/zinc/78/22/57/869782257.db2.gz KMYUOKQWLIERMI-VIFPVBQESA-N 0 2 409.213 4.157 20 5 HIBDLN CC(C)(C)c1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000446966039 870866262 /nfs/dbraw/zinc/86/62/62/870866262.db2.gz MHFRUSBQMWQSFB-UHFFFAOYSA-N 0 2 409.411 4.168 20 5 HIBDLN Cc1csc([C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000462401264 875508026 /nfs/dbraw/zinc/50/80/26/875508026.db2.gz IQLAHQCJHHXEJB-GFCCVEGCSA-N 0 2 422.315 4.096 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)c2ncccc12 ZINC000463532291 876609224 /nfs/dbraw/zinc/60/92/24/876609224.db2.gz QGXJPKDYALKKFP-UHFFFAOYSA-N 0 2 422.422 4.131 20 5 HIBDLN Cc1coc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)ccc2C)n1 ZINC000463798640 876916317 /nfs/dbraw/zinc/91/63/17/876916317.db2.gz MQWLAFDJUUYMGP-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)cc1C ZINC000478681183 893935320 /nfs/dbraw/zinc/93/53/20/893935320.db2.gz NCQRSLCGZORIJR-UHFFFAOYSA-N 0 2 404.366 4.040 20 5 HIBDLN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483445218 899079410 /nfs/dbraw/zinc/07/94/10/899079410.db2.gz ZXDWGMYFGTZEHD-UHFFFAOYSA-N 0 2 403.391 4.036 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1 ZINC000486108054 901294607 /nfs/dbraw/zinc/29/46/07/901294607.db2.gz KDBXBGZRMBSEDX-UHFFFAOYSA-N 0 2 408.524 4.378 20 5 HIBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000506517372 915149039 /nfs/dbraw/zinc/14/90/39/915149039.db2.gz UNGPRPKLEOJFAI-CQSZACIVSA-N 0 2 405.410 4.044 20 5 HIBDLN Cc1cc2cccnc2c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000507002044 915814516 /nfs/dbraw/zinc/81/45/16/915814516.db2.gz OGLMBVBWLHQCMF-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000509206430 917908103 /nfs/dbraw/zinc/90/81/03/917908103.db2.gz YEIVVNAGWAMQSH-UHFFFAOYSA-N 0 2 419.684 4.428 20 5 HIBDLN O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000510840017 919323131 /nfs/dbraw/zinc/32/31/31/919323131.db2.gz APVCYVMPAKWHBT-UHFFFAOYSA-N 0 2 408.848 4.209 20 5 HIBDLN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000511187601 919807638 /nfs/dbraw/zinc/80/76/38/919807638.db2.gz JBZCNMGXDSXWIS-UHFFFAOYSA-N 0 2 400.337 4.410 20 5 HIBDLN O=C(Nc1nc2c(cccc2Cl)n1CC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000511555563 920190145 /nfs/dbraw/zinc/19/01/45/920190145.db2.gz XXKCSYNSMZLBPQ-UHFFFAOYSA-N 0 2 414.727 4.118 20 5 HIBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000515635367 923237342 /nfs/dbraw/zinc/23/73/42/923237342.db2.gz SBHROZAFUPIFGS-UHFFFAOYSA-N 0 2 412.292 4.016 20 5 HIBDLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000516786154 923885856 /nfs/dbraw/zinc/88/58/56/923885856.db2.gz HXVWGZIROHTQLI-UHFFFAOYSA-N 0 2 411.867 4.096 20 5 HIBDLN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000538539981 938644651 /nfs/dbraw/zinc/64/46/51/938644651.db2.gz BGLXLFRMJPPHAZ-UHFFFAOYSA-N 0 2 415.500 4.075 20 5 HIBDLN Cc1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1[N+](=O)[O-] ZINC000539853494 938958767 /nfs/dbraw/zinc/95/87/67/938958767.db2.gz GGLOHCRGTGDOQD-UHFFFAOYSA-N 0 2 411.686 4.181 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000539856258 938958896 /nfs/dbraw/zinc/95/88/96/938958896.db2.gz PMIDXVDRCVJNBQ-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Cl ZINC000543023121 939897308 /nfs/dbraw/zinc/89/73/08/939897308.db2.gz IPZMKHLWZKFGGN-UHFFFAOYSA-N 0 2 422.768 4.270 20 5 HIBDLN Cc1nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])sc1Cc1c(F)cccc1F ZINC000560694366 944298065 /nfs/dbraw/zinc/29/80/65/944298065.db2.gz KZGVTVJQZCMYOL-UHFFFAOYSA-N 0 2 405.382 4.187 20 5 HIBDLN CCOc1ccc2nc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)sc2c1 ZINC000007325317 845311099 /nfs/dbraw/zinc/31/10/99/845311099.db2.gz GLHLFTWHRIZYHJ-UHFFFAOYSA-N 0 2 407.473 4.021 20 5 HIBDLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016963955 846223749 /nfs/dbraw/zinc/22/37/49/846223749.db2.gz RLTRIOUDSMYIMS-UHFFFAOYSA-N 0 2 422.626 4.048 20 5 HIBDLN Cc1cc(-c2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c3c(C)noc3n2)c(C)o1 ZINC000436620267 861872981 /nfs/dbraw/zinc/87/29/81/861872981.db2.gz SCWSXKYQCVTLPE-UHFFFAOYSA-N 0 2 408.370 4.274 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000436903729 862080455 /nfs/dbraw/zinc/08/04/55/862080455.db2.gz NYQJCQRLXUCBMN-QGZVFWFLSA-N 0 2 408.414 4.108 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)c(Cl)c1 ZINC000055632178 850083675 /nfs/dbraw/zinc/08/36/75/850083675.db2.gz DVURUHBJYPSXPG-UHFFFAOYSA-N 0 2 419.846 4.023 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Oc2cccnc2)cc1 ZINC000057121681 850553071 /nfs/dbraw/zinc/55/30/71/850553071.db2.gz JTEODFKFYVKMLH-UHFFFAOYSA-N 0 2 405.819 4.236 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1Cc1ccc(C)cc1 ZINC000409534463 855528390 /nfs/dbraw/zinc/52/83/90/855528390.db2.gz IBOZTKUOUSFMTI-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000409574176 855547751 /nfs/dbraw/zinc/54/77/51/855547751.db2.gz MFOWDWQRIXNQPN-CQSZACIVSA-N 0 2 415.496 4.125 20 5 HIBDLN O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430664799 858257838 /nfs/dbraw/zinc/25/78/38/858257838.db2.gz POVHCPGMVSEFEP-UHFFFAOYSA-N 0 2 415.405 4.159 20 5 HIBDLN O=C(NCc1ccccc1[N+](=O)[O-])c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430667335 858258543 /nfs/dbraw/zinc/25/85/43/858258543.db2.gz NGQNTPVOKYCVHN-UHFFFAOYSA-N 0 2 415.405 4.159 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1 ZINC000433166576 859550804 /nfs/dbraw/zinc/55/08/04/859550804.db2.gz YBVQMFNKPGJDNO-UHFFFAOYSA-N 0 2 404.448 4.050 20 5 HIBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)c1[N+](=O)[O-] ZINC000446777148 870692345 /nfs/dbraw/zinc/69/23/45/870692345.db2.gz QNOJORBVKLPXCY-LLVKDONJSA-N 0 2 410.496 4.010 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)c1 ZINC000446777076 870693191 /nfs/dbraw/zinc/69/31/91/870693191.db2.gz NCPVMOBFKKPDSQ-LBPRGKRZSA-N 0 2 410.496 4.010 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(-c2cccc3ccccc32)o1 ZINC000446778649 870695056 /nfs/dbraw/zinc/69/50/56/870695056.db2.gz XGNCKRRMPDTPOE-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000446971462 870870304 /nfs/dbraw/zinc/87/03/04/870870304.db2.gz FSAOHZTUGIUMHC-UHFFFAOYSA-N 0 2 424.426 4.170 20 5 HIBDLN Cc1sc(NS(=O)(=O)Cc2ccc(C)c(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000468980630 883047047 /nfs/dbraw/zinc/04/70/47/883047047.db2.gz QQYBUFXSVUVHIL-UHFFFAOYSA-N 0 2 421.475 4.416 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)c2ncccc12 ZINC000463773967 876894037 /nfs/dbraw/zinc/89/40/37/876894037.db2.gz IJQMIESEFPCIDH-UHFFFAOYSA-N 0 2 417.418 4.014 20 5 HIBDLN Cc1csc(C2(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CCC2)n1 ZINC000474118452 888938043 /nfs/dbraw/zinc/93/80/43/888938043.db2.gz NJDOHYSWODJELI-UHFFFAOYSA-N 0 2 422.315 4.024 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000479559208 894856640 /nfs/dbraw/zinc/85/66/40/894856640.db2.gz ZLCNEBUPDVUYLK-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1[N+](=O)[O-] ZINC000479613630 894885450 /nfs/dbraw/zinc/88/54/50/894885450.db2.gz ZNMSMHIRZSLCIH-UHFFFAOYSA-N 0 2 417.390 4.039 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000485007534 900357475 /nfs/dbraw/zinc/35/74/75/900357475.db2.gz XUGNDXWJVZSADR-UHFFFAOYSA-N 0 2 420.393 4.349 20 5 HIBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC(C1CC1)C1CC1 ZINC000486441841 901600049 /nfs/dbraw/zinc/60/00/49/901600049.db2.gz LRAQEDYDTILUMK-UHFFFAOYSA-N 0 2 417.487 4.005 20 5 HIBDLN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497878718 907353815 /nfs/dbraw/zinc/35/38/15/907353815.db2.gz BGVZDSPCBYJQOZ-KRWDZBQOSA-N 0 2 424.375 4.312 20 5 HIBDLN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])c(O)c2)c(OC)c1 ZINC000498573693 908029981 /nfs/dbraw/zinc/02/99/81/908029981.db2.gz FRUZBHNQTXTHFN-OAQYLSRUSA-N 0 2 421.409 4.089 20 5 HIBDLN COc1cc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000506670132 915346206 /nfs/dbraw/zinc/34/62/06/915346206.db2.gz SWJQVQHPUAUGDG-CQSZACIVSA-N 0 2 402.447 4.225 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000507312845 916074584 /nfs/dbraw/zinc/07/45/84/916074584.db2.gz LANXQHXVTBNGAH-UHFFFAOYSA-N 0 2 400.460 4.148 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Br)c2cccnc12 ZINC000509396315 918061336 /nfs/dbraw/zinc/06/13/36/918061336.db2.gz JPQJDRFAFVUUDR-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000511253718 919855591 /nfs/dbraw/zinc/85/55/91/919855591.db2.gz UIVTUHRLRIJDOE-UHFFFAOYSA-N 0 2 409.427 4.016 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c(Cl)c1 ZINC000516332749 923670748 /nfs/dbraw/zinc/67/07/48/923670748.db2.gz FMITVTRQPMXNPW-UHFFFAOYSA-N 0 2 409.773 4.023 20 5 HIBDLN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000534068472 932247364 /nfs/dbraw/zinc/24/73/64/932247364.db2.gz KAVGGCOYMWMIBB-UHFFFAOYSA-N 0 2 400.822 4.068 20 5 HIBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1cccc(C(F)(F)F)c1 ZINC000534803893 932780368 /nfs/dbraw/zinc/78/03/68/932780368.db2.gz XNHHEBASISYHKY-UHFFFAOYSA-N 0 2 406.320 4.066 20 5 HIBDLN O=C(CCc1nc2cc(Br)ccc2s1)Nc1cc([N+](=O)[O-])ccc1O ZINC000538871969 938728772 /nfs/dbraw/zinc/72/87/72/938728772.db2.gz DKUFTGXTWAAMHU-UHFFFAOYSA-N 0 2 422.260 4.244 20 5 HIBDLN CSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000539193795 938817809 /nfs/dbraw/zinc/81/78/09/938817809.db2.gz UOZZRUMLZXUSPK-UHFFFAOYSA-N 0 2 406.407 4.445 20 5 HIBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C(F)(F)F ZINC000539956997 938981340 /nfs/dbraw/zinc/98/13/40/938981340.db2.gz DMYNALYHDZIADR-UHFFFAOYSA-N 0 2 414.283 4.433 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1oc2ccccc2c1CSc1ncccn1 ZINC000539971559 938982729 /nfs/dbraw/zinc/98/27/29/938982729.db2.gz BNBHTZJRAACQEF-UHFFFAOYSA-N 0 2 422.422 4.381 20 5 HIBDLN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000540390311 939229401 /nfs/dbraw/zinc/22/94/01/939229401.db2.gz JSZQVPZSHUECBU-UHFFFAOYSA-N 0 2 406.514 4.350 20 5 HIBDLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1[N+](=O)[O-] ZINC000541796357 939634124 /nfs/dbraw/zinc/63/41/24/939634124.db2.gz HTAJSFUGKGWZBV-SNVBAGLBSA-N 0 2 403.851 4.071 20 5 HIBDLN CC(=C(O)Nc1nc(-c2ccccc2Cl)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000542549933 939842218 /nfs/dbraw/zinc/84/22/18/939842218.db2.gz IFAYKJQBATZQFH-SECBINFHSA-N 0 2 406.826 4.070 20 5 HIBDLN CCSCc1ccnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000551683285 941526233 /nfs/dbraw/zinc/52/62/33/941526233.db2.gz HWDCFHFVADBDLI-UHFFFAOYSA-N 0 2 401.897 4.006 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1Cc1ccccc1Cl ZINC000556219829 942820354 /nfs/dbraw/zinc/82/03/54/942820354.db2.gz FPARWSVQTAVVBR-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560627563 944279220 /nfs/dbraw/zinc/27/92/20/944279220.db2.gz AGGBEWDTJQWNBI-MJGOQNOKSA-N 0 2 421.856 4.047 20 5 HIBDLN CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560627563 944279227 /nfs/dbraw/zinc/27/92/27/944279227.db2.gz AGGBEWDTJQWNBI-MJGOQNOKSA-N 0 2 421.856 4.047 20 5 HIBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(CCC2)c2cc(Br)ccc21 ZINC000560668674 944289060 /nfs/dbraw/zinc/28/90/60/944289060.db2.gz RXIVNSYBYLKSMI-UHFFFAOYSA-N 0 2 403.232 4.145 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000571967153 947825001 /nfs/dbraw/zinc/82/50/01/947825001.db2.gz OZWAIWQARUHIFC-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000436887990 862066540 /nfs/dbraw/zinc/06/65/40/862066540.db2.gz YUMFGTZUQCPOBZ-UHFFFAOYSA-N 0 2 410.470 4.234 20 5 HIBDLN COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccccc1 ZINC000436944721 862122688 /nfs/dbraw/zinc/12/26/88/862122688.db2.gz KYFIJNDQHSLYDQ-UHFFFAOYSA-N 0 2 422.437 4.160 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC000195638819 853730814 /nfs/dbraw/zinc/73/08/14/853730814.db2.gz NZWOEBFQQVRTLY-UHFFFAOYSA-N 0 2 401.897 4.165 20 5 HIBDLN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000326963218 855414099 /nfs/dbraw/zinc/41/40/99/855414099.db2.gz JHVVSZSXZIDMJC-UHFFFAOYSA-N 0 2 405.126 4.334 20 5 HIBDLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])s2)cc1C ZINC000409497639 855509744 /nfs/dbraw/zinc/50/97/44/855509744.db2.gz FABCAZBIBLQKGA-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1C ZINC000409498816 855510508 /nfs/dbraw/zinc/51/05/08/855510508.db2.gz FZIGIMCJHRPHPC-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1ccccc1Cl ZINC000409516795 855519229 /nfs/dbraw/zinc/51/92/29/855519229.db2.gz XWZQAGXMUMADFB-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1cccc(Cl)c1 ZINC000409523172 855521644 /nfs/dbraw/zinc/52/16/44/855521644.db2.gz XAULRKLBEXNDHQ-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1Cc1ccc(F)cc1 ZINC000409523943 855522934 /nfs/dbraw/zinc/52/29/34/855522934.db2.gz VNKFPAULYKXAQM-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)sc1Cc1ccc(F)cc1 ZINC000409524361 855522956 /nfs/dbraw/zinc/52/29/56/855522956.db2.gz XSKAUMLLQRJBEU-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1Cc1cccc(C)c1 ZINC000409541519 855532998 /nfs/dbraw/zinc/53/29/98/855532998.db2.gz UGEAWPYJGJVLDX-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)c(Cl)c1 ZINC000409554614 855539096 /nfs/dbraw/zinc/53/90/96/855539096.db2.gz SENLTZXDHIZYIU-UHFFFAOYSA-N 0 2 401.897 4.165 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1 ZINC000409574998 855547421 /nfs/dbraw/zinc/54/74/21/855547421.db2.gz PDUCXEOEBGZVCX-CQSZACIVSA-N 0 2 415.496 4.125 20 5 HIBDLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C(C)(C)C)n1 ZINC000409580235 855551479 /nfs/dbraw/zinc/55/14/79/855551479.db2.gz FIAMIDHVCYIWRB-UHFFFAOYSA-N 0 2 414.915 4.298 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000432055388 858954583 /nfs/dbraw/zinc/95/45/83/858954583.db2.gz ZOFBEXICBSHIDK-UHFFFAOYSA-N 0 2 418.393 4.244 20 5 HIBDLN CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000433127015 859531135 /nfs/dbraw/zinc/53/11/35/859531135.db2.gz QPHRBJINLWXXCO-UHFFFAOYSA-N 0 2 410.839 4.086 20 5 HIBDLN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2s1 ZINC000467774699 881595250 /nfs/dbraw/zinc/59/52/50/881595250.db2.gz WTVNXDKPBVFDTK-UHFFFAOYSA-N 0 2 407.473 4.008 20 5 HIBDLN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000439105776 864543182 /nfs/dbraw/zinc/54/31/82/864543182.db2.gz KBQYHKDVOZJYJJ-UHFFFAOYSA-N 0 2 409.254 4.403 20 5 HIBDLN Cc1sc(Br)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1C ZINC000443319559 867902336 /nfs/dbraw/zinc/90/23/36/867902336.db2.gz JATIRZYHQODLKV-UHFFFAOYSA-N 0 2 422.264 4.073 20 5 HIBDLN C[C@@H](Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1)CC(C)(C)C ZINC000446773025 870685037 /nfs/dbraw/zinc/68/50/37/870685037.db2.gz OWHPWXXWWNJOOG-JTQLQIEISA-N 0 2 416.887 4.047 20 5 HIBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000460836299 873725851 /nfs/dbraw/zinc/72/58/51/873725851.db2.gz AZXNQRAVJYUPJX-UHFFFAOYSA-N 0 2 410.757 4.098 20 5 HIBDLN Cc1cc(NCc2nnc(COc3ccccc3)[nH]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461940896 875074734 /nfs/dbraw/zinc/07/47/34/875074734.db2.gz LRWRBQRKLKTQLH-UHFFFAOYSA-N 0 2 407.352 4.231 20 5 HIBDLN Cc1c(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cccc1[N+](=O)[O-] ZINC000504525154 913307422 /nfs/dbraw/zinc/30/74/22/913307422.db2.gz VNTCJAHUHATDGI-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000476622496 891556055 /nfs/dbraw/zinc/55/60/55/891556055.db2.gz FNLNFLQDEPTNEG-UHFFFAOYSA-N 0 2 403.778 4.178 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccc2c1 ZINC000479135954 894403838 /nfs/dbraw/zinc/40/38/38/894403838.db2.gz QABRWNLNLJIGRQ-UHFFFAOYSA-N 0 2 411.361 4.049 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c(C(F)(F)F)c1 ZINC000484087290 899720656 /nfs/dbraw/zinc/72/06/56/899720656.db2.gz HOFPMDMEUXEOJR-UHFFFAOYSA-N 0 2 411.361 4.410 20 5 HIBDLN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490374030 903967186 /nfs/dbraw/zinc/96/71/86/903967186.db2.gz XSDDBNFCNGSWEQ-UHFFFAOYSA-N 0 2 424.417 4.203 20 5 HIBDLN CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)o2)cc1 ZINC000490379458 903972673 /nfs/dbraw/zinc/97/26/73/903972673.db2.gz UCWYZWJOVZRCIM-UHFFFAOYSA-N 0 2 417.381 4.095 20 5 HIBDLN CCCOc1ccc(Oc2ncccc2CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506620714 915280360 /nfs/dbraw/zinc/28/03/60/915280360.db2.gz ZIZYXWJPSBLUFF-UHFFFAOYSA-N 0 2 423.425 4.207 20 5 HIBDLN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507391636 916154929 /nfs/dbraw/zinc/15/49/29/916154929.db2.gz HKIYURJTFOGNRH-UHFFFAOYSA-N 0 2 416.262 4.083 20 5 HIBDLN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)c1 ZINC000521238446 929073347 /nfs/dbraw/zinc/07/33/47/929073347.db2.gz DWSBGHDBNRPKCG-UHFFFAOYSA-N 0 2 424.784 4.467 20 5 HIBDLN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000535822832 933416346 /nfs/dbraw/zinc/41/63/46/933416346.db2.gz WJQJYXRUTUHOFF-UHFFFAOYSA-N 0 2 402.863 4.366 20 5 HIBDLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000537352982 933731501 /nfs/dbraw/zinc/73/15/01/933731501.db2.gz WJXWFUVAZNRHDF-UHFFFAOYSA-N 0 2 411.361 4.271 20 5 HIBDLN O=C(CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1)Nc1nccs1 ZINC000537772659 938374001 /nfs/dbraw/zinc/37/40/01/938374001.db2.gz SJENMYRBVRLTKI-UHFFFAOYSA-N 0 2 418.475 4.065 20 5 HIBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)c1 ZINC000550652861 941350287 /nfs/dbraw/zinc/35/02/87/941350287.db2.gz UHOJBRQYYNITLB-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN COc1cc(OC)cc(Oc2ccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)c1 ZINC000552292084 941624248 /nfs/dbraw/zinc/62/42/48/941624248.db2.gz RWFRMSUGMYEKKZ-UHFFFAOYSA-N 0 2 424.409 4.040 20 5 HIBDLN C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4cc(O)ccc4[N+](=O)[O-])cc3)ccc2O1 ZINC000556943535 942975651 /nfs/dbraw/zinc/97/56/51/942975651.db2.gz NNFDMGIPGNJPQS-CQSZACIVSA-N 0 2 404.422 4.221 20 5 HIBDLN COc1ccccc1COc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000556950946 942977474 /nfs/dbraw/zinc/97/74/74/942977474.db2.gz ATDKHGVEUGIGKA-UHFFFAOYSA-N 0 2 408.410 4.449 20 5 HIBDLN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c12 ZINC000436620314 861872839 /nfs/dbraw/zinc/87/28/39/861872839.db2.gz SLEOFKOERAWCQH-UHFFFAOYSA-N 0 2 409.446 4.238 20 5 HIBDLN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436871783 862048560 /nfs/dbraw/zinc/04/85/60/862048560.db2.gz KZCNTMUNEDAMKF-LJAQVGFWSA-N 0 2 410.451 4.002 20 5 HIBDLN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436875147 862051975 /nfs/dbraw/zinc/05/19/75/862051975.db2.gz WTNBAKBNLPEXPG-NDEPHWFRSA-N 0 2 402.472 4.134 20 5 HIBDLN O=C(Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436997802 862171570 /nfs/dbraw/zinc/17/15/70/862171570.db2.gz GBIWRQROPDWQTH-UHFFFAOYSA-N 0 2 411.801 4.458 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c(C)cc(Br)cc2C)cc1C ZINC000060443298 851101657 /nfs/dbraw/zinc/10/16/57/851101657.db2.gz DCYCXDYOSVOARZ-UHFFFAOYSA-N 0 2 413.293 4.392 20 5 HIBDLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000302918782 854679538 /nfs/dbraw/zinc/67/95/38/854679538.db2.gz VXTIYTHCKXJIAY-UHFFFAOYSA-N 0 2 420.878 4.160 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1C(F)(F)F ZINC000325760943 855405456 /nfs/dbraw/zinc/40/54/56/855405456.db2.gz USZUOMDRJFKTDK-UHFFFAOYSA-N 0 2 405.126 4.334 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)sc1Cc1ccccc1F ZINC000409535106 855529790 /nfs/dbraw/zinc/52/97/90/855529790.db2.gz KWHUWJJYMNHTID-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1Cc1ccc(C)cc1 ZINC000409539199 855532024 /nfs/dbraw/zinc/53/20/24/855532024.db2.gz YHOPKCRVKXZJCY-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000409579581 855551336 /nfs/dbraw/zinc/55/13/36/855551336.db2.gz WUBNTJZOOASDSD-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN Cc1ccc(Sc2ccc(C[NH2+]Cc3nc(C(=O)[O-])cs3)cc2[N+](=O)[O-])cc1 ZINC000426671883 856405996 /nfs/dbraw/zinc/40/59/96/856405996.db2.gz XSCYRDGMTNIFTG-UHFFFAOYSA-N 0 2 415.496 4.499 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)c(Cl)c1 ZINC000438725884 864207340 /nfs/dbraw/zinc/20/73/40/864207340.db2.gz SMWGVZQFBRPYIM-UHFFFAOYSA-N 0 2 405.819 4.236 20 5 HIBDLN C[C@@H](Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000446777300 870692663 /nfs/dbraw/zinc/69/26/63/870692663.db2.gz NRDHIIMVVBYMIV-JTQLQIEISA-N 0 2 416.887 4.047 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(C[C@@H](C)CC(C)(C)C)o1 ZINC000446777460 870692974 /nfs/dbraw/zinc/69/29/74/870692974.db2.gz RDPIJKLENUJDLJ-LLVKDONJSA-N 0 2 410.496 4.010 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3scnc3c2)c(C(F)(F)F)c1 ZINC000446999931 870884153 /nfs/dbraw/zinc/88/41/53/870884153.db2.gz JTKWGXCPQOMCSJ-UHFFFAOYSA-N 0 2 403.363 4.024 20 5 HIBDLN Cc1c(Br)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463527183 876598577 /nfs/dbraw/zinc/59/85/77/876598577.db2.gz JGHRWTBLBRIZGI-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN O=C(CCCC(=O)c1ccc(Br)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000504243815 913112399 /nfs/dbraw/zinc/11/23/99/913112399.db2.gz LAFCPOLSXNQNBZ-UHFFFAOYSA-N 0 2 407.220 4.055 20 5 HIBDLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C(C)C)cc1 ZINC000480226250 895632120 /nfs/dbraw/zinc/63/21/20/895632120.db2.gz LSEZKISCVGPLHA-UHFFFAOYSA-N 0 2 414.487 4.322 20 5 HIBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000485286201 900563453 /nfs/dbraw/zinc/56/34/53/900563453.db2.gz NNRADCPBXDWMCM-UHFFFAOYSA-N 0 2 405.386 4.022 20 5 HIBDLN Cc1c(NS(=O)(=O)c2cccc3cccnc32)cc(Br)cc1[N+](=O)[O-] ZINC000485397065 900693898 /nfs/dbraw/zinc/69/38/98/900693898.db2.gz QPXDOLMAJHVKAM-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)c1 ZINC000485663787 900914754 /nfs/dbraw/zinc/91/47/54/900914754.db2.gz LVUHSNMWSOQJCJ-UHFFFAOYSA-N 0 2 420.425 4.183 20 5 HIBDLN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506511567 915136026 /nfs/dbraw/zinc/13/60/26/915136026.db2.gz PTQWOIGGGCFVRV-UHFFFAOYSA-N 0 2 401.394 4.211 20 5 HIBDLN O=C(Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508277570 917091719 /nfs/dbraw/zinc/09/17/19/917091719.db2.gz BLENWHIHJHHALW-UHFFFAOYSA-N 0 2 406.373 4.159 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cc3ccccn3)ccc2C)cc1C ZINC000509396359 918061115 /nfs/dbraw/zinc/06/11/15/918061115.db2.gz KJMLTZWUZFXZLL-UHFFFAOYSA-N 0 2 411.483 4.307 20 5 HIBDLN COc1ccccc1-c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000517688902 926792867 /nfs/dbraw/zinc/79/28/67/926792867.db2.gz KGHYEYXKUNUAGY-UHFFFAOYSA-N 0 2 414.439 4.080 20 5 HIBDLN Cc1cccn2cc(COc3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3O)nc12 ZINC000535515479 933208030 /nfs/dbraw/zinc/20/80/30/933208030.db2.gz DWEGRPREVIVYBX-UHFFFAOYSA-N 0 2 418.409 4.088 20 5 HIBDLN CC(=C(O)Nc1nc(-c2cccc(Cl)c2)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000543463227 940072090 /nfs/dbraw/zinc/07/20/90/940072090.db2.gz SNBPYLPKIJLUDP-VIFPVBQESA-N 0 2 406.826 4.070 20 5 HIBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1C(F)(F)F ZINC000543859585 940213022 /nfs/dbraw/zinc/21/30/22/940213022.db2.gz MNODWDYPMQOEQZ-UHFFFAOYSA-N 0 2 403.363 4.024 20 5 HIBDLN Cc1ccccc1-n1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C(F)(F)F ZINC000544406324 940414496 /nfs/dbraw/zinc/41/44/96/940414496.db2.gz GNEZXANZHPBIFS-UHFFFAOYSA-N 0 2 406.320 4.066 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)sc2c1 ZINC000556618660 942918133 /nfs/dbraw/zinc/91/81/33/942918133.db2.gz DHISLGWVBHWQMF-UHFFFAOYSA-N 0 2 404.256 4.312 20 5 HIBDLN COc1ccc2c(c1)CCC[C@@]2([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000571269843 947576861 /nfs/dbraw/zinc/57/68/61/947576861.db2.gz FYISTWAINNKSLT-QHCPKHFHSA-N 0 2 422.437 4.269 20 5 HIBDLN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c(OC)c1 ZINC000021360437 846434047 /nfs/dbraw/zinc/43/40/47/846434047.db2.gz CQYQZNVPCOIBIW-OAQYLSRUSA-N 0 2 421.409 4.089 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000030532137 847730268 /nfs/dbraw/zinc/73/02/68/847730268.db2.gz KSKSICJLHVZFOY-UHFFFAOYSA-N 0 2 414.867 4.092 20 5 HIBDLN O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436875146 862053002 /nfs/dbraw/zinc/05/30/02/862053002.db2.gz WTNBAKBNLPEXPG-MUUNZHRXSA-N 0 2 402.472 4.134 20 5 HIBDLN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436961761 862143273 /nfs/dbraw/zinc/14/32/73/862143273.db2.gz KLXYZXQHVUMPJE-OAHLLOKOSA-N 0 2 421.247 4.049 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2cc(Br)cnc21 ZINC000328153558 855421362 /nfs/dbraw/zinc/42/13/62/855421362.db2.gz ORSRCEVVZMCKGG-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1C ZINC000409488511 855505996 /nfs/dbraw/zinc/50/59/96/855505996.db2.gz VOVCVIUBLWBFIK-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])s2)cc1C ZINC000409506145 855514155 /nfs/dbraw/zinc/51/41/55/855514155.db2.gz YCLGBXDESMONSN-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1Cc1ccc(F)cc1 ZINC000409524781 855523681 /nfs/dbraw/zinc/52/36/81/855523681.db2.gz ZLWRHKFCVYBSNP-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1Cc1ccccc1F ZINC000409535889 855529493 /nfs/dbraw/zinc/52/94/93/855529493.db2.gz MQVUCGSGHPWVPC-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1 ZINC000409574996 855547818 /nfs/dbraw/zinc/54/78/18/855547818.db2.gz PDUCXEOEBGZVCX-AWEZNQCLSA-N 0 2 415.496 4.125 20 5 HIBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1[N+](=O)[O-] ZINC000409627237 855571496 /nfs/dbraw/zinc/57/14/96/855571496.db2.gz KVBLHTAJBCQKBL-UHFFFAOYSA-N 0 2 419.818 4.245 20 5 HIBDLN CCOc1ccc(NS(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c([N+](=O)[O-])c1 ZINC000410335280 855935366 /nfs/dbraw/zinc/93/53/66/855935366.db2.gz OGZOTCDQFVAVDA-UHFFFAOYSA-N 0 2 419.484 4.226 20 5 HIBDLN O=C([O-])c1csc(C[NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000426639168 856387983 /nfs/dbraw/zinc/38/79/83/856387983.db2.gz LVXOATGVVMUNLT-UHFFFAOYSA-N 0 2 419.846 4.485 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000431313132 858558448 /nfs/dbraw/zinc/55/84/48/858558448.db2.gz NVBDZUNBDYCBTN-UHFFFAOYSA-N 0 2 418.500 4.093 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000433612511 859810181 /nfs/dbraw/zinc/81/01/81/859810181.db2.gz MLVPDXJZZBRWHD-UHFFFAOYSA-N 0 2 411.686 4.181 20 5 HIBDLN O=[N+]([O-])c1ccc(/C=C\c2cc(Br)c(O)c(Br)c2)nc1 ZINC000439524785 864864015 /nfs/dbraw/zinc/86/40/15/864864015.db2.gz PXITXPVOPHMDLB-UPHRSURJSA-N 0 2 400.026 4.391 20 5 HIBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444650587 868931649 /nfs/dbraw/zinc/93/16/49/868931649.db2.gz PEBFIBUUIKCMGT-UHFFFAOYSA-N 0 2 416.437 4.013 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(-c2ccc3ccccc3c2)o1 ZINC000446769233 870683152 /nfs/dbraw/zinc/68/31/52/870683152.db2.gz OQOWVUKFKNEPNL-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3ccc4ccccc4c3)o2)c1C ZINC000446776215 870690375 /nfs/dbraw/zinc/69/03/75/870690375.db2.gz JWWNFUKVTYDGHT-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccsc3s2)c(C(F)(F)F)c1 ZINC000446960111 870862690 /nfs/dbraw/zinc/86/26/90/870862690.db2.gz NIDNBTSQRQBGRY-UHFFFAOYSA-N 0 2 409.392 4.086 20 5 HIBDLN CCC(CC)c1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])on1 ZINC000462417291 875524275 /nfs/dbraw/zinc/52/42/75/875524275.db2.gz MGPIGTOTGYDNDJ-UHFFFAOYSA-N 0 2 422.290 4.272 20 5 HIBDLN Cc1c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cnn1-c1ccc(Cl)cc1 ZINC000463438482 876495402 /nfs/dbraw/zinc/49/54/02/876495402.db2.gz XAFVQGXBMZENJD-UHFFFAOYSA-N 0 2 420.878 4.160 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c2ncccc12 ZINC000464411045 877614965 /nfs/dbraw/zinc/61/49/65/877614965.db2.gz NZYLGMPBBOIWHI-UHFFFAOYSA-N 0 2 415.324 4.102 20 5 HIBDLN Cc1nc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc2n1Cc1ccsc1 ZINC000473088212 887901151 /nfs/dbraw/zinc/90/11/51/887901151.db2.gz VTZAFEDJHBUMLT-UHFFFAOYSA-N 0 2 408.439 4.321 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2cccc(COC(C)(C)C)c2C)c([N+](=O)[O-])c1 ZINC000476384462 891298457 /nfs/dbraw/zinc/29/84/57/891298457.db2.gz AXMHVGJKSZCPSO-UHFFFAOYSA-N 0 2 408.476 4.028 20 5 HIBDLN O=[N+]([O-])c1ccc(NCc2nnc(COc3ccccc3)[nH]2)nc1-c1ccc(F)cc1 ZINC000485416560 900714547 /nfs/dbraw/zinc/71/45/47/900714547.db2.gz KVKMDWBATBOCDA-UHFFFAOYSA-N 0 2 420.404 4.105 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000489571221 903469761 /nfs/dbraw/zinc/46/97/61/903469761.db2.gz WUCHYMZNGADWAQ-UHFFFAOYSA-N 0 2 409.876 4.096 20 5 HIBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000506517371 915148220 /nfs/dbraw/zinc/14/82/20/915148220.db2.gz UNGPRPKLEOJFAI-AWEZNQCLSA-N 0 2 405.410 4.044 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000507310060 916071571 /nfs/dbraw/zinc/07/15/71/916071571.db2.gz BEMKSRVAQZBDGJ-UHFFFAOYSA-N 0 2 400.460 4.148 20 5 HIBDLN CC(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000507313166 916074956 /nfs/dbraw/zinc/07/49/56/916074956.db2.gz LNQUNPHJYPNZQO-UHFFFAOYSA-N 0 2 420.878 4.493 20 5 HIBDLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000509217383 917917683 /nfs/dbraw/zinc/91/76/83/917917683.db2.gz KFSVFGZJTPDLGM-UHFFFAOYSA-N 0 2 404.366 4.040 20 5 HIBDLN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000509245521 917940697 /nfs/dbraw/zinc/94/06/97/917940697.db2.gz GRUGUHOCRBBMSO-UHFFFAOYSA-N 0 2 409.442 4.440 20 5 HIBDLN Cc1ccc(Cc2ccccn2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000509382929 918047764 /nfs/dbraw/zinc/04/77/64/918047764.db2.gz GGPVHWLAGSKRGV-UHFFFAOYSA-N 0 2 417.874 4.343 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)c2cccnc12 ZINC000509397214 918062842 /nfs/dbraw/zinc/06/28/42/918062842.db2.gz RNSNEFGUISUVSJ-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000516590785 923804857 /nfs/dbraw/zinc/80/48/57/923804857.db2.gz VWDPTIUIGZVUBF-UHFFFAOYSA-N 0 2 424.784 4.214 20 5 HIBDLN C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000525186682 930080530 /nfs/dbraw/zinc/08/05/30/930080530.db2.gz JRCDKTOIJCXFCQ-KWQFWETISA-N 0 2 405.259 4.097 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1Br ZINC000540652270 939331039 /nfs/dbraw/zinc/33/10/39/939331039.db2.gz RQITVHGNZLTJRL-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1cc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)ccc1Br ZINC000540652386 939331207 /nfs/dbraw/zinc/33/12/07/939331207.db2.gz SEEQWWBMJCESRN-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000544636946 940496239 /nfs/dbraw/zinc/49/62/39/940496239.db2.gz FYVKHYYSOOWDMP-SNVBAGLBSA-N 0 2 403.851 4.071 20 5 HIBDLN Cc1cc(Cl)ccc1Cc1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000551311574 941448489 /nfs/dbraw/zinc/44/84/89/941448489.db2.gz SOFDINTWMBSCLE-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552409361 941661383 /nfs/dbraw/zinc/66/13/83/941661383.db2.gz ZPKVHHQHLDUZGV-UHFFFAOYSA-N 0 2 416.262 4.083 20 5 HIBDLN O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557008291 942993045 /nfs/dbraw/zinc/99/30/45/942993045.db2.gz PQCFEEUXYCQYIU-UHFFFAOYSA-N 0 2 414.767 4.434 20 5 HIBDLN O=C(NCC1(c2cccc(Br)c2)CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560598733 944269245 /nfs/dbraw/zinc/26/92/45/944269245.db2.gz HWJULMLAZFEIGT-UHFFFAOYSA-N 0 2 419.275 4.305 20 5 HIBDLN CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000560627564 944279353 /nfs/dbraw/zinc/27/93/53/944279353.db2.gz AGGBEWDTJQWNBI-PKOBYXMFSA-N 0 2 421.856 4.047 20 5 HIBDLN CC(C)[N@H+]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000560627564 944279365 /nfs/dbraw/zinc/27/93/65/944279365.db2.gz AGGBEWDTJQWNBI-PKOBYXMFSA-N 0 2 421.856 4.047 20 5 HIBDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000560729795 944313178 /nfs/dbraw/zinc/31/31/78/944313178.db2.gz OPPLFRJQRSZNCT-UHFFFAOYSA-N 0 2 416.397 4.081 20 5 HIBDLN O=C(NCCOc1c(Cl)cc(Cl)cc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000569935621 947046943 /nfs/dbraw/zinc/04/69/43/947046943.db2.gz BFGMMCXGEVFAKJ-UHFFFAOYSA-N 0 2 405.621 4.069 20 5 HIBDLN CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000043783813 848466510 /nfs/dbraw/zinc/46/65/10/848466510.db2.gz ROKQMRNKWPMOCD-UHFFFAOYSA-N 0 2 424.457 4.331 20 5 HIBDLN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436870705 862048117 /nfs/dbraw/zinc/04/81/17/862048117.db2.gz ICJXHMXOHMFLJU-OAHLLOKOSA-N 0 2 408.458 4.251 20 5 HIBDLN O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436873077 862049504 /nfs/dbraw/zinc/04/95/04/862049504.db2.gz YUQRPZDYUXPHPY-UHFFFAOYSA-N 0 2 408.848 4.209 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)cc1C ZINC000060498730 851122379 /nfs/dbraw/zinc/12/23/79/851122379.db2.gz ZNORLGYUMRSQOL-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000065069750 852052867 /nfs/dbraw/zinc/05/28/67/852052867.db2.gz XZLFNMQUVBSCLE-UHFFFAOYSA-N 0 2 403.460 4.015 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(C)c([N+](=O)[O-])cn3)cc2)s1 ZINC000301422319 854389957 /nfs/dbraw/zinc/38/99/57/854389957.db2.gz FWNFKJBWRKFORY-UHFFFAOYSA-N 0 2 405.457 4.261 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000316619304 855380027 /nfs/dbraw/zinc/38/00/27/855380027.db2.gz LGIZEZHPOVGSJQ-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(C(F)(F)F)ccc1Br ZINC000325700168 855405522 /nfs/dbraw/zinc/40/55/22/855405522.db2.gz BABPIJMBHKNYAI-UHFFFAOYSA-N 0 2 405.126 4.334 20 5 HIBDLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)s2)cc1C ZINC000409505041 855513322 /nfs/dbraw/zinc/51/33/22/855513322.db2.gz VBTYKVMDNPWLSV-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1Cc1ccc(C)cc1 ZINC000409534471 855528819 /nfs/dbraw/zinc/52/88/19/855528819.db2.gz IBYPDYWBGFYONN-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000410404951 855979192 /nfs/dbraw/zinc/97/91/92/855979192.db2.gz POPPBMMRWDRGRD-UHFFFAOYSA-N 0 2 421.258 4.110 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1-c1ccncc1 ZINC000427636400 856893424 /nfs/dbraw/zinc/89/34/24/856893424.db2.gz KPDHUKSKRNFTNW-UHFFFAOYSA-N 0 2 403.847 4.419 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427764900 856945456 /nfs/dbraw/zinc/94/54/56/856945456.db2.gz AIXUVIQLQBDPCU-UHFFFAOYSA-N 0 2 408.329 4.050 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)sc2c1 ZINC000430071302 858020638 /nfs/dbraw/zinc/02/06/38/858020638.db2.gz NDKDZPKHFYCDBM-UHFFFAOYSA-N 0 2 421.353 4.163 20 5 HIBDLN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000439098683 864539523 /nfs/dbraw/zinc/53/95/23/864539523.db2.gz HXPLLFDGSCVKOF-UHFFFAOYSA-N 0 2 409.254 4.403 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c(C(F)(F)F)c1 ZINC000446972507 870870664 /nfs/dbraw/zinc/87/06/64/870870664.db2.gz MXVQPLWZGSRYNP-UHFFFAOYSA-N 0 2 407.395 4.138 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c(C(F)(F)F)c1 ZINC000446990062 870879578 /nfs/dbraw/zinc/87/95/78/870879578.db2.gz PIXUDACITSDJDF-UHFFFAOYSA-N 0 2 413.333 4.069 20 5 HIBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000447995405 871842991 /nfs/dbraw/zinc/84/29/91/871842991.db2.gz YBEFICORDPQRLH-UHFFFAOYSA-N 0 2 403.489 4.039 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000462444548 875551299 /nfs/dbraw/zinc/55/12/99/875551299.db2.gz CKNIWEKNBFTCGJ-VXNVDRBHSA-N 0 2 421.224 4.301 20 5 HIBDLN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463108366 876147087 /nfs/dbraw/zinc/14/70/87/876147087.db2.gz SZNJWXKWTLRFTO-UHFFFAOYSA-N 0 2 408.197 4.173 20 5 HIBDLN Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463796976 876914899 /nfs/dbraw/zinc/91/48/99/876914899.db2.gz OCHOONBDFXCPEQ-UHFFFAOYSA-N 0 2 411.361 4.271 20 5 HIBDLN Cc1sc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-] ZINC000466974798 880778419 /nfs/dbraw/zinc/77/84/19/880778419.db2.gz VNHSAGMAXJMDIF-UHFFFAOYSA-N 0 2 409.420 4.092 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)c([N+](=O)[O-])c1 ZINC000467429316 881222575 /nfs/dbraw/zinc/22/25/75/881222575.db2.gz OTBGUHKECOHKJK-HNNXBMFYSA-N 0 2 419.503 4.091 20 5 HIBDLN CSc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471965349 886794869 /nfs/dbraw/zinc/79/48/69/886794869.db2.gz RDPOOFLZVHBPDX-UHFFFAOYSA-N 0 2 417.306 4.188 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)c(Cl)c1 ZINC000483161848 898832727 /nfs/dbraw/zinc/83/27/27/898832727.db2.gz DHEJDPSQSQLUFH-UHFFFAOYSA-N 0 2 405.819 4.236 20 5 HIBDLN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)s2)c(F)c1 ZINC000502874276 911876743 /nfs/dbraw/zinc/87/67/43/911876743.db2.gz CEPFPKJCDJYPJD-UHFFFAOYSA-N 0 2 403.391 4.132 20 5 HIBDLN CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000506450055 915050380 /nfs/dbraw/zinc/05/03/80/915050380.db2.gz CULWMZROMFMIBX-UHFFFAOYSA-N 0 2 410.470 4.234 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000506816059 915576032 /nfs/dbraw/zinc/57/60/32/915576032.db2.gz OVORSORAEANAHC-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN COc1ccc(COCc2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)cc1 ZINC000508167739 916990043 /nfs/dbraw/zinc/99/00/43/916990043.db2.gz XFRHGGGPRKQHDN-UHFFFAOYSA-N 0 2 408.410 4.278 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c([N+](=O)[O-])c1 ZINC000509591069 918239340 /nfs/dbraw/zinc/23/93/40/918239340.db2.gz OISHPAYMCUGWKY-UHFFFAOYSA-N 0 2 417.468 4.018 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c(Cl)c1 ZINC000511204896 919817869 /nfs/dbraw/zinc/81/78/69/919817869.db2.gz LKEHJNVUFYMLBH-UHFFFAOYSA-N 0 2 405.819 4.236 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3ccc4ccccc4c3)o2)c1 ZINC000517494787 924228473 /nfs/dbraw/zinc/22/84/73/924228473.db2.gz KIALWNYSQASRGJ-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000519516659 928006924 /nfs/dbraw/zinc/00/69/24/928006924.db2.gz XBOAOSGXFUEFER-UHFFFAOYSA-N 0 2 419.459 4.134 20 5 HIBDLN COc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000542942282 939882599 /nfs/dbraw/zinc/88/25/99/939882599.db2.gz QFCROIGQNIICSE-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN CC(C)c1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)ccc2o1 ZINC000545913687 940657028 /nfs/dbraw/zinc/65/70/28/940657028.db2.gz ONOMBKGCNVFDAM-UHFFFAOYSA-N 0 2 412.427 4.208 20 5 HIBDLN O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000552411448 941662224 /nfs/dbraw/zinc/66/22/24/941662224.db2.gz BCOFXNYFVMDWHK-UHFFFAOYSA-N 0 2 401.271 4.270 20 5 HIBDLN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557011450 942994098 /nfs/dbraw/zinc/99/40/98/942994098.db2.gz HZCFNKZBVQYNRU-GFCCVEGCSA-N 0 2 410.257 4.006 20 5 HIBDLN CC(C)(C)c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000560013472 944129808 /nfs/dbraw/zinc/12/98/08/944129808.db2.gz RQRVJOXRKDQPEC-UHFFFAOYSA-N 0 2 403.382 4.107 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000436936652 862114574 /nfs/dbraw/zinc/11/45/74/862114574.db2.gz GLAFPFMGUWUOJA-OAHLLOKOSA-N 0 2 409.211 4.179 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)cc1C ZINC000060505441 851124625 /nfs/dbraw/zinc/12/46/25/851124625.db2.gz DFSGKJIRBDZQGI-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c(Cl)c1 ZINC000437190186 862382714 /nfs/dbraw/zinc/38/27/14/862382714.db2.gz WSBYQIFXOSOMEW-UHFFFAOYSA-N 0 2 416.912 4.023 20 5 HIBDLN Cc1ccc(NC(=O)c2nnc(/C(Cl)=C\c3ccc(O)c([N+](=O)[O-])c3)s2)cc1 ZINC000229864467 853893584 /nfs/dbraw/zinc/89/35/84/853893584.db2.gz DOJISFVNDGLXCK-MDWZMJQESA-N 0 2 416.846 4.450 20 5 HIBDLN Cc1ccc(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000315404984 855377914 /nfs/dbraw/zinc/37/79/14/855377914.db2.gz GRFJZTCYKNVUKG-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)sc1Cc1cccc(F)c1 ZINC000409515662 855518305 /nfs/dbraw/zinc/51/83/05/855518305.db2.gz DYYSAHPEDJCKIP-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1cc(Cl)ccc1Cc1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000409530364 855525611 /nfs/dbraw/zinc/52/56/11/855525611.db2.gz XNBBPMSMXVLETH-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN CC(C)c1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000442221341 867247988 /nfs/dbraw/zinc/24/79/88/867247988.db2.gz RIJSWUNMZOOETM-UHFFFAOYSA-N 0 2 420.878 4.358 20 5 HIBDLN Cc1ccccc1[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000443976923 868504886 /nfs/dbraw/zinc/50/48/86/868504886.db2.gz BUVSLNQNYRWCHW-CYBMUJFWSA-N 0 2 406.357 4.014 20 5 HIBDLN C[C@H](Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000446777301 870693878 /nfs/dbraw/zinc/69/38/78/870693878.db2.gz NRDHIIMVVBYMIV-SNVBAGLBSA-N 0 2 416.887 4.047 20 5 HIBDLN CC(C)OCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000447005040 870887485 /nfs/dbraw/zinc/88/74/85/870887485.db2.gz DTKOONYCSQNSMK-UHFFFAOYSA-N 0 2 418.393 4.339 20 5 HIBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000468542735 882580460 /nfs/dbraw/zinc/58/04/60/882580460.db2.gz MBEWCKNXOUEYHY-UHFFFAOYSA-N 0 2 420.487 4.429 20 5 HIBDLN COc1cc(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)ccc1[N+](=O)[O-] ZINC000468780314 882856619 /nfs/dbraw/zinc/85/66/19/882856619.db2.gz BJZHHHPXVDKPBI-UHFFFAOYSA-N 0 2 419.484 4.145 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c2ncccc12 ZINC000463522592 876591177 /nfs/dbraw/zinc/59/11/77/876591177.db2.gz ZVYIUBISKNFGNR-UHFFFAOYSA-N 0 2 412.452 4.067 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)c2ncccc12 ZINC000464405833 877609553 /nfs/dbraw/zinc/60/95/53/877609553.db2.gz MAACAKVJXIEVIG-UHFFFAOYSA-N 0 2 418.500 4.059 20 5 HIBDLN Cc1coc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)cc12 ZINC000479561819 894859815 /nfs/dbraw/zinc/85/98/15/894859815.db2.gz FWHBDLXTLPBKRL-UHFFFAOYSA-N 0 2 411.233 4.213 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1C ZINC000480002976 895355594 /nfs/dbraw/zinc/35/55/94/895355594.db2.gz DNONXSNDSHVWMF-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN Cc1c(NS(=O)(=O)c2cccc(Cl)c2F)cc(Br)cc1[N+](=O)[O-] ZINC000485398003 900695712 /nfs/dbraw/zinc/69/57/12/900695712.db2.gz DYMTXWRVATYTKJ-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486090790 901279767 /nfs/dbraw/zinc/27/97/67/901279767.db2.gz GXYQZGMCKUMCNP-UHFFFAOYSA-N 0 2 400.460 4.013 20 5 HIBDLN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000498324816 907840751 /nfs/dbraw/zinc/84/07/51/907840751.db2.gz IKICNJAZVWAYEK-LJAQVGFWSA-N 0 2 410.451 4.002 20 5 HIBDLN CCN(C(=O)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000507169058 915910682 /nfs/dbraw/zinc/91/06/82/915910682.db2.gz HKPNBOHAKXKPFU-UHFFFAOYSA-N 0 2 419.437 4.148 20 5 HIBDLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000509212656 917914036 /nfs/dbraw/zinc/91/40/36/917914036.db2.gz RUJYKFHVMRKMDJ-UHFFFAOYSA-N 0 2 411.361 4.271 20 5 HIBDLN CSc1ccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1[N+](=O)[O-] ZINC000520100274 928311059 /nfs/dbraw/zinc/31/10/59/928311059.db2.gz QPLWKJXWFAUHEC-UHFFFAOYSA-N 0 2 406.876 4.163 20 5 HIBDLN Cc1c(Br)cc(S(=O)(=O)Nc2cncc3ccccc32)cc1[N+](=O)[O-] ZINC000533939457 932113199 /nfs/dbraw/zinc/11/31/99/932113199.db2.gz OSCSPMXKQJDCJH-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000539358456 938847974 /nfs/dbraw/zinc/84/79/74/938847974.db2.gz PVCVXHSSUUVUDL-UHFFFAOYSA-N 0 2 400.485 4.288 20 5 HIBDLN CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000542732319 939857760 /nfs/dbraw/zinc/85/77/60/939857760.db2.gz DBCCUNQGGLUNCX-UHFFFAOYSA-N 0 2 408.476 4.109 20 5 HIBDLN CC(=C(O)Nc1nc(-c2cccc(Cl)c2)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000543463225 940071908 /nfs/dbraw/zinc/07/19/08/940071908.db2.gz SNBPYLPKIJLUDP-SECBINFHSA-N 0 2 406.826 4.070 20 5 HIBDLN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000552293976 941623880 /nfs/dbraw/zinc/62/38/80/941623880.db2.gz AOLUCGOJBIYQKD-UHFFFAOYSA-N 0 2 407.156 4.139 20 5 HIBDLN Cc1ccc2nc(COc3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3O)cn2c1 ZINC000557118155 943024474 /nfs/dbraw/zinc/02/44/74/943024474.db2.gz MARCVCDJBDDXDO-UHFFFAOYSA-N 0 2 418.409 4.088 20 5 HIBDLN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c(OC)c1 ZINC000021360432 846433813 /nfs/dbraw/zinc/43/38/13/846433813.db2.gz CQYQZNVPCOIBIW-NRFANRHFSA-N 0 2 421.409 4.089 20 5 HIBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Cl)cc(Br)c1O ZINC000436736258 861921225 /nfs/dbraw/zinc/92/12/25/861921225.db2.gz FZQIOKDVTLGCJA-UHFFFAOYSA-N 0 2 413.655 4.031 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000436747296 861930906 /nfs/dbraw/zinc/93/09/06/861930906.db2.gz KOZANROBTZFVKQ-UHFFFAOYSA-N 0 2 415.858 4.276 20 5 HIBDLN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436871781 862047495 /nfs/dbraw/zinc/04/74/95/862047495.db2.gz KZCNTMUNEDAMKF-GDLZYMKVSA-N 0 2 410.451 4.002 20 5 HIBDLN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436970971 862150993 /nfs/dbraw/zinc/15/09/93/862150993.db2.gz GZXDEOBVVMBNMR-UHFFFAOYSA-N 0 2 408.458 4.176 20 5 HIBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000436978772 862157475 /nfs/dbraw/zinc/15/74/75/862157475.db2.gz JFTLXWYHDGYHQP-FQEVSTJZSA-N 0 2 413.380 4.225 20 5 HIBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436996616 862170103 /nfs/dbraw/zinc/17/01/03/862170103.db2.gz CRMPKCNJECCDDG-KRWDZBQOSA-N 0 2 424.375 4.312 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000437000243 862174784 /nfs/dbraw/zinc/17/47/84/862174784.db2.gz MMEIGTHLOUJOGS-QGZVFWFLSA-N 0 2 412.833 4.321 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058704922 850896673 /nfs/dbraw/zinc/89/66/73/850896673.db2.gz MKFSEQQFKZNGFT-UHFFFAOYSA-N 0 2 414.487 4.187 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000063476004 851700192 /nfs/dbraw/zinc/70/01/92/851700192.db2.gz YNOCZWHJNKGZET-UHFFFAOYSA-N 0 2 403.460 4.015 20 5 HIBDLN CCC(CC)c1nnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000437174306 862367697 /nfs/dbraw/zinc/36/76/97/862367697.db2.gz BMPMQUDWNPGCKG-UHFFFAOYSA-N 0 2 404.901 4.113 20 5 HIBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000302931190 854685012 /nfs/dbraw/zinc/68/50/12/854685012.db2.gz GPYQTKSUHLRPMO-UHFFFAOYSA-N 0 2 400.463 4.371 20 5 HIBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000315894176 855379318 /nfs/dbraw/zinc/37/93/18/855379318.db2.gz ABHDQTGTOGQKIH-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1C ZINC000409533757 855527540 /nfs/dbraw/zinc/52/75/40/855527540.db2.gz IKDFDUULKSYXRU-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1Cc1ccccc1F ZINC000409536830 855530504 /nfs/dbraw/zinc/53/05/04/855530504.db2.gz PPQARTFMLRGXLV-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1cc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(Cl)cc1F ZINC000430084655 858024893 /nfs/dbraw/zinc/02/48/93/858024893.db2.gz YITDIHVEBXVDPV-UHFFFAOYSA-N 0 2 401.828 4.106 20 5 HIBDLN O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)co2)cc1 ZINC000434677563 860456177 /nfs/dbraw/zinc/45/61/77/860456177.db2.gz YSPDCJFEQLZIJN-UHFFFAOYSA-N 0 2 407.474 4.162 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3s2)c(C(F)(F)F)c1 ZINC000446967832 870867435 /nfs/dbraw/zinc/86/74/35/870867435.db2.gz URNWIDGRVQMZJJ-UHFFFAOYSA-N 0 2 403.363 4.024 20 5 HIBDLN CC(C)OCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000447004547 870886954 /nfs/dbraw/zinc/88/69/54/870886954.db2.gz BRVJXGXQVGJQGM-UHFFFAOYSA-N 0 2 418.393 4.339 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)c(Cl)c1 ZINC000447271747 871159305 /nfs/dbraw/zinc/15/93/05/871159305.db2.gz AZQGGPUMTRMEFH-UHFFFAOYSA-N 0 2 423.809 4.375 20 5 HIBDLN CC[C@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000462329668 875446371 /nfs/dbraw/zinc/44/63/71/875446371.db2.gz YOKYOUDMLFUCFQ-AWEZNQCLSA-N 0 2 424.331 4.270 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(-c2ccc(C)cc2C)s1 ZINC000469010401 883077565 /nfs/dbraw/zinc/07/75/65/883077565.db2.gz SDXAMGLQNZMARV-UHFFFAOYSA-N 0 2 419.484 4.145 20 5 HIBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)c1[N+](=O)[O-] ZINC000479116333 894386316 /nfs/dbraw/zinc/38/63/16/894386316.db2.gz SRBGLUWYVWEYKU-UHFFFAOYSA-N 0 2 401.419 4.214 20 5 HIBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2cc(Br)ccc2n1 ZINC000483435919 899067783 /nfs/dbraw/zinc/06/77/83/899067783.db2.gz FLLSDMSMWJKMNF-UHFFFAOYSA-N 0 2 402.204 4.172 20 5 HIBDLN O=C(CC1(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCCC1)Nc1nccs1 ZINC000483442700 899076657 /nfs/dbraw/zinc/07/66/57/899076657.db2.gz KVUFRGNCRIZUED-UHFFFAOYSA-N 0 2 418.475 4.065 20 5 HIBDLN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490369882 903962996 /nfs/dbraw/zinc/96/29/96/903962996.db2.gz SBNFWGMTAQOANH-VIFPVBQESA-N 0 2 422.228 4.093 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)c(F)c1 ZINC000507305262 916067935 /nfs/dbraw/zinc/06/79/35/916067935.db2.gz QQSLZMCAFMRPEW-UHFFFAOYSA-N 0 2 407.448 4.023 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000507311776 916072735 /nfs/dbraw/zinc/07/27/35/916072735.db2.gz HJFHADVQEHRELS-UHFFFAOYSA-N 0 2 400.460 4.148 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] ZINC000509375273 918040322 /nfs/dbraw/zinc/04/03/22/918040322.db2.gz JVHQMDIDVGRKHO-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000510812303 919287640 /nfs/dbraw/zinc/28/76/40/919287640.db2.gz JAQDNALLJRONFF-UHFFFAOYSA-N 0 2 407.354 4.278 20 5 HIBDLN O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000521324783 929138634 /nfs/dbraw/zinc/13/86/34/929138634.db2.gz GVOQSFJPRDNHOQ-UHFFFAOYSA-N 0 2 424.284 4.002 20 5 HIBDLN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000535505821 933196649 /nfs/dbraw/zinc/19/66/49/933196649.db2.gz XLHHZVONLVSNAN-UHFFFAOYSA-N 0 2 415.402 4.314 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000537767226 938372966 /nfs/dbraw/zinc/37/29/66/938372966.db2.gz DRMNTDHSVDHLHD-UHFFFAOYSA-N 0 2 424.196 4.427 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(COc2ccc(Cl)cc2Cl)on1 ZINC000539970696 938982637 /nfs/dbraw/zinc/98/26/37/938982637.db2.gz KNCUDRWPPFAQDR-UHFFFAOYSA-N 0 2 424.196 4.427 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000544626215 940493668 /nfs/dbraw/zinc/49/36/68/940493668.db2.gz MMHBVPTWQYGIPV-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552461284 941677356 /nfs/dbraw/zinc/67/73/56/941677356.db2.gz MCERSQRPHFPQGH-HNNXBMFYSA-N 0 2 419.275 4.204 20 5 HIBDLN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000552684817 941737549 /nfs/dbraw/zinc/73/75/49/941737549.db2.gz UBRRODKRNJWUJU-UHFFFAOYSA-N 0 2 418.203 4.279 20 5 HIBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 ZINC000008055676 845467538 /nfs/dbraw/zinc/46/75/38/845467538.db2.gz ZIFZCXNDZWXGIO-UHFFFAOYSA-N 0 2 405.476 4.149 20 5 HIBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)ccc1Cl ZINC000016154033 846131521 /nfs/dbraw/zinc/13/15/21/846131521.db2.gz JRAHGNMJFUQIRX-UHFFFAOYSA-N 0 2 419.871 4.234 20 5 HIBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)cc(Br)c1O ZINC000436712114 861899756 /nfs/dbraw/zinc/89/97/56/861899756.db2.gz MLLPSTDRRYDYEJ-UHFFFAOYSA-N 0 2 413.655 4.031 20 5 HIBDLN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)oc1C ZINC000057120377 850552227 /nfs/dbraw/zinc/55/22/27/850552227.db2.gz ILZYCLNLOOVZKM-UHFFFAOYSA-N 0 2 407.835 4.321 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000065094683 852062846 /nfs/dbraw/zinc/06/28/46/852062846.db2.gz KFKCVHOHHBJQCI-UHFFFAOYSA-N 0 2 401.220 4.308 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1Cc1ccc(F)cc1 ZINC000409519090 855519932 /nfs/dbraw/zinc/51/99/32/855519932.db2.gz GDOWFDXNPRRCPS-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1Cc1cccc(F)c1 ZINC000409521922 855522063 /nfs/dbraw/zinc/52/20/63/855522063.db2.gz PMOCQNYOGHOUSN-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000410407499 855980279 /nfs/dbraw/zinc/98/02/79/855980279.db2.gz OGYMLSKQSHBULQ-UHFFFAOYSA-N 0 2 422.793 4.049 20 5 HIBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427116407 856647671 /nfs/dbraw/zinc/64/76/71/856647671.db2.gz VZRGUVZDNUZIPD-UHFFFAOYSA-N 0 2 408.329 4.050 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(C[C@H](C)CC(C)(C)C)o1 ZINC000446777463 870693630 /nfs/dbraw/zinc/69/36/30/870693630.db2.gz RDPIJKLENUJDLJ-NSHDSACASA-N 0 2 410.496 4.010 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)c1 ZINC000446777075 870693931 /nfs/dbraw/zinc/69/39/31/870693931.db2.gz NCPVMOBFKKPDSQ-GFCCVEGCSA-N 0 2 410.496 4.010 20 5 HIBDLN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000447011960 870891714 /nfs/dbraw/zinc/89/17/14/870891714.db2.gz YPOSAORUXLYSHL-JTQLQIEISA-N 0 2 404.366 4.122 20 5 HIBDLN Cc1csc([C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000462401265 875508651 /nfs/dbraw/zinc/50/86/51/875508651.db2.gz IQLAHQCJHHXEJB-LBPRGKRZSA-N 0 2 422.315 4.096 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(-c2ccc(C)cc2C)s1 ZINC000468939969 883004131 /nfs/dbraw/zinc/00/41/31/883004131.db2.gz NIRCJVKXIXMIKZ-UHFFFAOYSA-N 0 2 419.484 4.145 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c2cccnc2c1C ZINC000464408872 877613059 /nfs/dbraw/zinc/61/30/59/877613059.db2.gz FNSQAHYGPMLNNG-UHFFFAOYSA-N 0 2 408.439 4.109 20 5 HIBDLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1)c1ccccc1 ZINC000471518297 886221103 /nfs/dbraw/zinc/22/11/03/886221103.db2.gz PMQLUWPUOXIGTN-HNNXBMFYSA-N 0 2 418.500 4.097 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c(Cl)c1 ZINC000479109584 894375627 /nfs/dbraw/zinc/37/56/27/894375627.db2.gz QGDAHPFNIQLLDP-UHFFFAOYSA-N 0 2 404.256 4.312 20 5 HIBDLN Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483435764 899068644 /nfs/dbraw/zinc/06/86/44/899068644.db2.gz RGLUSWXOEMQRGD-UHFFFAOYSA-N 0 2 404.220 4.034 20 5 HIBDLN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])c(O)c2)c(OC)c1 ZINC000498573690 908030469 /nfs/dbraw/zinc/03/04/69/908030469.db2.gz FRUZBHNQTXTHFN-NRFANRHFSA-N 0 2 421.409 4.089 20 5 HIBDLN COc1cc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000506354534 914975817 /nfs/dbraw/zinc/97/58/17/914975817.db2.gz BXSWNSFUAZEFIO-CYBMUJFWSA-N 0 2 400.431 4.121 20 5 HIBDLN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000507153515 915894728 /nfs/dbraw/zinc/89/47/28/915894728.db2.gz CIUKZKOMNNWJKJ-LBPRGKRZSA-N 0 2 417.849 4.221 20 5 HIBDLN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000511377270 919976417 /nfs/dbraw/zinc/97/64/17/919976417.db2.gz JQQQEAJPVMXJPR-SNVBAGLBSA-N 0 2 401.419 4.362 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2cccc(Br)c2Cl)ccc1[N+](=O)[O-] ZINC000518266733 927124394 /nfs/dbraw/zinc/12/43/94/927124394.db2.gz DAQMZZYOMXXNDU-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518328505 927193798 /nfs/dbraw/zinc/19/37/98/927193798.db2.gz DYLAGSMYLOMXHR-UHFFFAOYSA-N 0 2 423.800 4.134 20 5 HIBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC=CCC1 ZINC000519035625 927712770 /nfs/dbraw/zinc/71/27/70/927712770.db2.gz BSPIMSDHJAEFOW-HNNXBMFYSA-N 0 2 417.487 4.172 20 5 HIBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Cl ZINC000533327146 931839253 /nfs/dbraw/zinc/83/92/53/931839253.db2.gz ODVVTLJKLNKEJV-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C1CC1 ZINC000535684652 933339715 /nfs/dbraw/zinc/33/97/15/933339715.db2.gz AFQTVAWSHWIVPU-JTQLQIEISA-N 0 2 412.899 4.402 20 5 HIBDLN Cc1cccc(-n2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2C(F)(F)F)c1 ZINC000537768762 938373386 /nfs/dbraw/zinc/37/33/86/938373386.db2.gz QXNXLIFPFFFORD-UHFFFAOYSA-N 0 2 406.320 4.066 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000550804487 941368540 /nfs/dbraw/zinc/36/85/40/941368540.db2.gz JGQVEIMXMAZHQS-UHFFFAOYSA-N 0 2 415.452 4.167 20 5 HIBDLN O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560527715 944242675 /nfs/dbraw/zinc/24/26/75/944242675.db2.gz OBHQQVCPGAGVEK-UHFFFAOYSA-N 0 2 400.337 4.301 20 5 HIBDLN O=C(NCc1ccc(Br)cc1C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000568423627 946537494 /nfs/dbraw/zinc/53/74/94/946537494.db2.gz IDUWRSAOAMWSBQ-UHFFFAOYSA-N 0 2 419.153 4.012 20 5 HIBDLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000016963974 846223769 /nfs/dbraw/zinc/22/37/69/846223769.db2.gz YUHOXUIADKFNOB-UHFFFAOYSA-N 0 2 422.626 4.048 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2ccc(Br)cc2)CC1 ZINC000436488203 861821949 /nfs/dbraw/zinc/82/19/49/861821949.db2.gz DNKWNSTVDJJWSO-UHFFFAOYSA-N 0 2 405.248 4.083 20 5 HIBDLN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436870703 862048661 /nfs/dbraw/zinc/04/86/61/862048661.db2.gz ICJXHMXOHMFLJU-HNNXBMFYSA-N 0 2 408.458 4.251 20 5 HIBDLN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000437004734 862179206 /nfs/dbraw/zinc/17/92/06/862179206.db2.gz WVJUSXAZHDFKKZ-ZDUSSCGKSA-N 0 2 404.850 4.057 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncc([N+](=O)[O-])cc3C)cc2)s1 ZINC000301937375 854498798 /nfs/dbraw/zinc/49/87/98/854498798.db2.gz VTLYFFFZAABWEB-UHFFFAOYSA-N 0 2 405.457 4.261 20 5 HIBDLN Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1[N+](=O)[O-] ZINC000318822562 855384192 /nfs/dbraw/zinc/38/41/92/855384192.db2.gz YHFJJXYOCFSXHU-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000391473294 855459805 /nfs/dbraw/zinc/45/98/05/855459805.db2.gz ILLKOYPEPAARPU-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1cccc(C)c1 ZINC000409532787 855527878 /nfs/dbraw/zinc/52/78/78/855527878.db2.gz BKNWIDWHGAEWOG-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000431316693 858561198 /nfs/dbraw/zinc/56/11/98/858561198.db2.gz DJRAUYAHTOAVDO-UHFFFAOYSA-N 0 2 424.891 4.130 20 5 HIBDLN CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446951872 870859317 /nfs/dbraw/zinc/85/93/17/870859317.db2.gz KDRBLQJRHKNHON-UHFFFAOYSA-N 0 2 423.800 4.134 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000447000003 870884020 /nfs/dbraw/zinc/88/40/20/870884020.db2.gz HVDOJFCKUJCIBY-UHFFFAOYSA-N 0 2 414.283 4.433 20 5 HIBDLN CC(C)Oc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1F ZINC000463789412 876909159 /nfs/dbraw/zinc/90/91/59/876909159.db2.gz PTNOVHFQBAGDNS-UHFFFAOYSA-N 0 2 423.397 4.009 20 5 HIBDLN COc1ccc(-c2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)s2)c(F)c1 ZINC000503524836 912576709 /nfs/dbraw/zinc/57/67/09/912576709.db2.gz UNUSIBYVFOEUDF-UHFFFAOYSA-N 0 2 403.391 4.132 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C ZINC000503958542 912884820 /nfs/dbraw/zinc/88/48/20/912884820.db2.gz DUVLOGQRJWVFFR-UHFFFAOYSA-N 0 2 414.487 4.323 20 5 HIBDLN COc1cccc(-c2nc(=NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)s[nH]2)c1 ZINC000476292929 891208540 /nfs/dbraw/zinc/20/85/40/891208540.db2.gz ONUHOCISDYAZPU-UHFFFAOYSA-N 0 2 412.471 4.094 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c(Cl)c1 ZINC000479268370 894540955 /nfs/dbraw/zinc/54/09/55/894540955.db2.gz QADDFEFHLOYBJB-UHFFFAOYSA-N 0 2 418.862 4.112 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1C ZINC000480007929 895360635 /nfs/dbraw/zinc/36/06/35/895360635.db2.gz FRHMQEZESGCHKD-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN O=C(CCCCOc1ccc(Br)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483436456 899070049 /nfs/dbraw/zinc/07/00/49/899070049.db2.gz SYGXTWMVTDZJHM-UHFFFAOYSA-N 0 2 409.236 4.251 20 5 HIBDLN Cc1ccc(-c2nc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cs2)c(C)c1 ZINC000490348199 903942155 /nfs/dbraw/zinc/94/21/55/903942155.db2.gz ZKOCJPDVJVLIHH-UHFFFAOYSA-N 0 2 420.454 4.373 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1[N+](=O)[O-] ZINC000493027819 904991568 /nfs/dbraw/zinc/99/15/68/904991568.db2.gz CGGSRDUBZMCIFI-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000498324815 907840921 /nfs/dbraw/zinc/84/09/21/907840921.db2.gz IKICNJAZVWAYEK-GDLZYMKVSA-N 0 2 410.451 4.002 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000499639359 908863261 /nfs/dbraw/zinc/86/32/61/908863261.db2.gz ANPLJNIBOOAYAP-QMMMGPOBSA-N 0 2 403.234 4.005 20 5 HIBDLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000502081723 911021613 /nfs/dbraw/zinc/02/16/13/911021613.db2.gz CLZFOIQXFDAQOG-UHFFFAOYSA-N 0 2 410.257 4.462 20 5 HIBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506846335 915625343 /nfs/dbraw/zinc/62/53/43/915625343.db2.gz ISRAWDIEJCOMRM-UHFFFAOYSA-N 0 2 424.784 4.214 20 5 HIBDLN O=C(Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507304978 916067381 /nfs/dbraw/zinc/06/73/81/916067381.db2.gz PWEUAVXIEHTERM-UHFFFAOYSA-N 0 2 401.382 4.005 20 5 HIBDLN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507304978 916067392 /nfs/dbraw/zinc/06/73/92/916067392.db2.gz PWEUAVXIEHTERM-UHFFFAOYSA-N 0 2 401.382 4.005 20 5 HIBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC1(F)CCC1 ZINC000515474671 923124371 /nfs/dbraw/zinc/12/43/71/923124371.db2.gz ZNGMEAPBBNVURH-UHFFFAOYSA-N 0 2 423.466 4.098 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000538872046 938728749 /nfs/dbraw/zinc/72/87/49/938728749.db2.gz HYOHDRMHSLMQRG-UHFFFAOYSA-N 0 2 421.196 4.442 20 5 HIBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000552564633 941709429 /nfs/dbraw/zinc/70/94/29/941709429.db2.gz RUZVKXDKXBUUNN-UHFFFAOYSA-N 0 2 412.339 4.420 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000554747762 942220086 /nfs/dbraw/zinc/22/00/86/942220086.db2.gz VFDPZQKXCUSBSM-FPLPWBNLSA-N 0 2 417.468 4.031 20 5 HIBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccs1 ZINC000023381014 846691696 /nfs/dbraw/zinc/69/16/96/846691696.db2.gz QWXUZKZCGSQIOI-UHFFFAOYSA-N 0 2 419.484 4.078 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000436941583 862119920 /nfs/dbraw/zinc/11/99/20/862119920.db2.gz FFYASRNYYRXZDZ-UHFFFAOYSA-N 0 2 424.375 4.250 20 5 HIBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436996617 862169442 /nfs/dbraw/zinc/16/94/42/862169442.db2.gz CRMPKCNJECCDDG-QGZVFWFLSA-N 0 2 424.375 4.312 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2cc(Br)cnc21 ZINC000328035590 855421767 /nfs/dbraw/zinc/42/17/67/855421767.db2.gz DIZZINBYOZVOPD-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000409492836 855507965 /nfs/dbraw/zinc/50/79/65/855507965.db2.gz RZXWHNPZORPQSF-UHFFFAOYSA-N 0 2 403.485 4.005 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409615862 855566030 /nfs/dbraw/zinc/56/60/30/855566030.db2.gz AQNIFJXJXZPVIB-UHFFFAOYSA-N 0 2 424.438 4.150 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437402057 862752064 /nfs/dbraw/zinc/75/20/64/862752064.db2.gz AWWANDYQGCAMIT-UHFFFAOYSA-N 0 2 400.460 4.013 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1-c1ccncc1 ZINC000427649011 856896883 /nfs/dbraw/zinc/89/68/83/856896883.db2.gz UMFKKWLALDEESH-UHFFFAOYSA-N 0 2 420.450 4.314 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432061055 858960023 /nfs/dbraw/zinc/96/00/23/858960023.db2.gz GVGAMCHCVJLADM-UHFFFAOYSA-N 0 2 418.393 4.244 20 5 HIBDLN Cc1c(Br)cc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000438796187 864287669 /nfs/dbraw/zinc/28/76/69/864287669.db2.gz QIDUOCZIWSJGKA-UHFFFAOYSA-N 0 2 420.310 4.046 20 5 HIBDLN CC(C)c1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c21 ZINC000439061751 864512817 /nfs/dbraw/zinc/51/28/17/864512817.db2.gz VGYKSDDNMSJTHC-UHFFFAOYSA-N 0 2 408.370 4.472 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000462378146 875489479 /nfs/dbraw/zinc/48/94/79/875489479.db2.gz DGOOEPGGMSZMQD-OAHLLOKOSA-N 0 2 403.504 4.064 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000462378146 875489486 /nfs/dbraw/zinc/48/94/86/875489486.db2.gz DGOOEPGGMSZMQD-OAHLLOKOSA-N 0 2 403.504 4.064 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c2ncccc12 ZINC000463525712 876594809 /nfs/dbraw/zinc/59/48/09/876594809.db2.gz CIEMSRQXYJCSDL-UHFFFAOYSA-N 0 2 422.422 4.131 20 5 HIBDLN COc1cc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)ccc1[N+](=O)[O-] ZINC000469044245 883114533 /nfs/dbraw/zinc/11/45/33/883114533.db2.gz QXSRARAQLLZZIK-FPLPWBNLSA-N 0 2 417.468 4.031 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)c([N+](=O)[O-])c1 ZINC000467429317 881223218 /nfs/dbraw/zinc/22/32/18/881223218.db2.gz OTBGUHKECOHKJK-OAHLLOKOSA-N 0 2 419.503 4.091 20 5 HIBDLN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469445444 883641618 /nfs/dbraw/zinc/64/16/18/883641618.db2.gz BXASTRFIEMCJEF-LJQANCHMSA-N 0 2 401.422 4.344 20 5 HIBDLN CC[C@@H](c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1)c1ccccc1 ZINC000471516717 886219183 /nfs/dbraw/zinc/21/91/83/886219183.db2.gz RXYFVAYNWBCIDT-OAHLLOKOSA-N 0 2 418.500 4.097 20 5 HIBDLN Cc1c(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)cccc1[N+](=O)[O-] ZINC000471610395 886326529 /nfs/dbraw/zinc/32/65/29/886326529.db2.gz GFYGBYCNXVODOC-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000476454016 891366222 /nfs/dbraw/zinc/36/62/22/891366222.db2.gz UVRLTMRDPZGFBJ-UHFFFAOYSA-N 0 2 408.439 4.080 20 5 HIBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000480643363 896012951 /nfs/dbraw/zinc/01/29/51/896012951.db2.gz FUSPFPYXJHYEQI-UHFFFAOYSA-N 0 2 403.851 4.398 20 5 HIBDLN O=C(CSCc1ccc(Br)cc1F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483433319 899064786 /nfs/dbraw/zinc/06/47/86/899064786.db2.gz BEPOCCXIBUQMAW-UHFFFAOYSA-N 0 2 415.240 4.074 20 5 HIBDLN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483443075 899078210 /nfs/dbraw/zinc/07/82/10/899078210.db2.gz TUPQLOJDSRVQPV-UHFFFAOYSA-N 0 2 418.203 4.279 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c(Br)c1 ZINC000484101950 899729054 /nfs/dbraw/zinc/72/90/54/899729054.db2.gz GYWNMLABULSAMZ-UHFFFAOYSA-N 0 2 422.260 4.153 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000485014412 900362464 /nfs/dbraw/zinc/36/24/64/900362464.db2.gz PKLGEIRUERVULD-UHFFFAOYSA-N 0 2 420.393 4.349 20 5 HIBDLN Cc1cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(F)cc1F ZINC000485396950 900694029 /nfs/dbraw/zinc/69/40/29/900694029.db2.gz OZQMXOBNPHKMHW-UHFFFAOYSA-N 0 2 421.219 4.053 20 5 HIBDLN CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1csc(-c2ccccc2F)n1 ZINC000490611488 904135852 /nfs/dbraw/zinc/13/58/52/904135852.db2.gz ZBWMLMZQRAEDQO-UHFFFAOYSA-N 0 2 401.419 4.479 20 5 HIBDLN CC(C)(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1csc(-c2ccccc2F)n1 ZINC000499070452 908437284 /nfs/dbraw/zinc/43/72/84/908437284.db2.gz ILNKSTUKCHIGIN-UHFFFAOYSA-N 0 2 401.419 4.479 20 5 HIBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000507766821 916552992 /nfs/dbraw/zinc/55/29/92/916552992.db2.gz PDQSQGBPKPGWOS-ZDUSSCGKSA-N 0 2 423.400 4.183 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC000513787972 922114238 /nfs/dbraw/zinc/11/42/38/922114238.db2.gz IQPCNXCVPRCWIP-UHFFFAOYSA-N 0 2 415.496 4.391 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC000513787559 922114684 /nfs/dbraw/zinc/11/46/84/922114684.db2.gz ATNNKAKTJHDHCJ-UHFFFAOYSA-N 0 2 415.496 4.391 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)c([N+](=O)[O-])c1 ZINC000518868701 927577931 /nfs/dbraw/zinc/57/79/31/927577931.db2.gz AXQNNWHPYSMOQW-UHFFFAOYSA-N 0 2 415.452 4.167 20 5 HIBDLN CC(Sc1ccc([N+](=O)[O-])cc1)=C(O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000520321418 928483937 /nfs/dbraw/zinc/48/39/37/928483937.db2.gz PXSICIAAODTCBC-JTQLQIEISA-N 0 2 420.903 4.308 20 5 HIBDLN CC(C)(C)c1nc(=NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)s[nH]1 ZINC000520549955 928634719 /nfs/dbraw/zinc/63/47/19/928634719.db2.gz IBTWRBZBSRBWLQ-UHFFFAOYSA-N 0 2 411.487 4.030 20 5 HIBDLN Cc1nc(-c2ccccc2)sc1[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521154729 929029634 /nfs/dbraw/zinc/02/96/34/929029634.db2.gz FJVJHJZWPTUGGZ-GFCCVEGCSA-N 0 2 421.475 4.205 20 5 HIBDLN CCn1nc(C)c(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1C ZINC000525012082 929973141 /nfs/dbraw/zinc/97/31/41/929973141.db2.gz VSOTXQMHMDXYQS-UHFFFAOYSA-N 0 2 416.459 4.021 20 5 HIBDLN CSc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000538296250 938586082 /nfs/dbraw/zinc/58/60/82/938586082.db2.gz JKZAXQDVXTYIRO-UHFFFAOYSA-N 0 2 406.407 4.445 20 5 HIBDLN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000538870860 938728730 /nfs/dbraw/zinc/72/87/30/938728730.db2.gz CCRUNFLKIJMROA-UHFFFAOYSA-N 0 2 406.826 4.126 20 5 HIBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000538871907 938728756 /nfs/dbraw/zinc/72/87/56/938728756.db2.gz AMBQIRNNOBILKA-UHFFFAOYSA-N 0 2 415.409 4.109 20 5 HIBDLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1[N+](=O)[O-] ZINC000541796356 939633906 /nfs/dbraw/zinc/63/39/06/939633906.db2.gz HTAJSFUGKGWZBV-JTQLQIEISA-N 0 2 403.851 4.071 20 5 HIBDLN O=C(N[C@@H](Cc1cccc(Br)c1)CC1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552461285 941677070 /nfs/dbraw/zinc/67/70/70/941677070.db2.gz MCERSQRPHFPQGH-OAHLLOKOSA-N 0 2 419.275 4.204 20 5 HIBDLN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557011452 942994153 /nfs/dbraw/zinc/99/41/53/942994153.db2.gz HZCFNKZBVQYNRU-LBPRGKRZSA-N 0 2 410.257 4.006 20 5 HIBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000573988593 948341986 /nfs/dbraw/zinc/34/19/86/948341986.db2.gz JIFZXJHECKBILR-UHFFFAOYSA-N 0 2 424.375 4.250 20 5 HIBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000574071209 948357388 /nfs/dbraw/zinc/35/73/88/948357388.db2.gz DENGTXRQJVLZJC-UHFFFAOYSA-N 0 2 410.348 4.219 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC1CCCC1 ZINC000032094484 847987103 /nfs/dbraw/zinc/98/71/03/847987103.db2.gz GBOOZVUMRIVKFZ-UHFFFAOYSA-N 0 2 408.501 4.439 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000058246381 850786459 /nfs/dbraw/zinc/78/64/59/850786459.db2.gz RPGAJSXMLAZRBM-UHFFFAOYSA-N 0 2 400.412 4.197 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000323956923 855397010 /nfs/dbraw/zinc/39/70/10/855397010.db2.gz YNLPOAWKBOPRRH-UHFFFAOYSA-N 0 2 419.684 4.428 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000409533835 855528614 /nfs/dbraw/zinc/52/86/14/855528614.db2.gz IUVDLKXLGJZJAB-UHFFFAOYSA-N 0 2 421.475 4.144 20 5 HIBDLN COc1ccc(-c2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000426743220 856448590 /nfs/dbraw/zinc/44/85/90/856448590.db2.gz NHZMKVRTCQDRIA-LJQANCHMSA-N 0 2 416.817 4.432 20 5 HIBDLN Cc1c(Br)cc(S(=O)(=O)Nc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000438799789 864290864 /nfs/dbraw/zinc/29/08/64/864290864.db2.gz BKHABZAKLSJHBO-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)cc1C ZINC000446775390 870690655 /nfs/dbraw/zinc/69/06/55/870690655.db2.gz YAZXBOQZYKVRGY-LLVKDONJSA-N 0 2 410.496 4.010 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)cc1[N+](=O)[O-] ZINC000446777156 870692446 /nfs/dbraw/zinc/69/24/46/870692446.db2.gz PYFUYMCWBNETHZ-LLVKDONJSA-N 0 2 410.496 4.010 20 5 HIBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C(F)(F)F ZINC000447784136 871716982 /nfs/dbraw/zinc/71/69/82/871716982.db2.gz YYEIVWVWPFBDGZ-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN CC(C)(C)c1csc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000462284868 875408683 /nfs/dbraw/zinc/40/86/83/875408683.db2.gz XOGLILSJXMXTFQ-UHFFFAOYSA-N 0 2 424.331 4.134 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c2ncccc12 ZINC000463784502 876903409 /nfs/dbraw/zinc/90/34/09/876903409.db2.gz SZKZODODLAUEAF-UHFFFAOYSA-N 0 2 411.361 4.049 20 5 HIBDLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000471509763 886211502 /nfs/dbraw/zinc/21/15/02/886211502.db2.gz BGYCDTANDGDVOW-HNNXBMFYSA-N 0 2 418.500 4.097 20 5 HIBDLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1)c1ccccc1 ZINC000471518298 886221476 /nfs/dbraw/zinc/22/14/76/886221476.db2.gz PMQLUWPUOXIGTN-OAHLLOKOSA-N 0 2 418.500 4.097 20 5 HIBDLN CCCCn1ncc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C(C)C ZINC000480201731 895599218 /nfs/dbraw/zinc/59/92/18/895599218.db2.gz QUQZYSWQSOSDOV-UHFFFAOYSA-N 0 2 414.915 4.477 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)c(Cl)c1 ZINC000481976466 897368802 /nfs/dbraw/zinc/36/88/02/897368802.db2.gz YXSZPXPAWPQBCD-UHFFFAOYSA-N 0 2 400.815 4.119 20 5 HIBDLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000486557578 901704398 /nfs/dbraw/zinc/70/43/98/901704398.db2.gz HTQKVJZYMIREMA-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490373865 903966353 /nfs/dbraw/zinc/96/63/53/903966353.db2.gz UGOZLIAAYVOZSV-AWEZNQCLSA-N 0 2 409.446 4.218 20 5 HIBDLN C[C@@H](Oc1cccnc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000494111238 905458181 /nfs/dbraw/zinc/45/81/81/905458181.db2.gz GKRLRHQZKWJBON-OAHLLOKOSA-N 0 2 413.455 4.072 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1C ZINC000497549076 907038992 /nfs/dbraw/zinc/03/89/92/907038992.db2.gz ORGRGUBSPKJDBV-UHFFFAOYSA-N 0 2 406.794 4.267 20 5 HIBDLN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000508013436 916851871 /nfs/dbraw/zinc/85/18/71/916851871.db2.gz TVRPJBRPPPNBGG-UHFFFAOYSA-N 0 2 406.794 4.267 20 5 HIBDLN O=C(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509048006 917799273 /nfs/dbraw/zinc/79/92/73/917799273.db2.gz LTHRCBICSPQMDB-UHFFFAOYSA-N 0 2 404.422 4.222 20 5 HIBDLN COc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000509574140 918223575 /nfs/dbraw/zinc/22/35/75/918223575.db2.gz ZANVOIMZKKYFJB-UHFFFAOYSA-N 0 2 411.650 4.364 20 5 HIBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1 ZINC000511738108 920411725 /nfs/dbraw/zinc/41/17/25/920411725.db2.gz OHVSIJBTSWBFLN-UHFFFAOYSA-N 0 2 412.402 4.078 20 5 HIBDLN Cc1ccc2cccc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2n1 ZINC000517482332 924221276 /nfs/dbraw/zinc/22/12/76/924221276.db2.gz KFIZGSJAEJMATJ-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccccc3OC)c2)c([N+](=O)[O-])c1 ZINC000518950287 927651465 /nfs/dbraw/zinc/65/14/65/927651465.db2.gz MEOBRXBHOYBLDI-UHFFFAOYSA-N 0 2 414.439 4.080 20 5 HIBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC=CCC1 ZINC000519035627 927714129 /nfs/dbraw/zinc/71/41/29/927714129.db2.gz BSPIMSDHJAEFOW-OAHLLOKOSA-N 0 2 417.487 4.172 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000519122315 927788507 /nfs/dbraw/zinc/78/85/07/927788507.db2.gz XZOFIIOTDPYOOZ-UHFFFAOYSA-N 0 2 420.487 4.254 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCCC2)c(Cl)c1 ZINC000521030188 928945566 /nfs/dbraw/zinc/94/55/66/928945566.db2.gz RIYOGYVSUUESNU-UHFFFAOYSA-N 0 2 409.895 4.429 20 5 HIBDLN CSCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000533005557 931732694 /nfs/dbraw/zinc/73/26/94/931732694.db2.gz UOAHSPSXSASOKS-UHFFFAOYSA-N 0 2 417.306 4.021 20 5 HIBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000539856652 938959377 /nfs/dbraw/zinc/95/93/77/938959377.db2.gz POXDVTOVOOKQSA-UHFFFAOYSA-N 0 2 424.784 4.214 20 5 HIBDLN CSCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000544725620 940508009 /nfs/dbraw/zinc/50/80/09/940508009.db2.gz OGRWNQYLNZVMEJ-UHFFFAOYSA-N 0 2 406.407 4.277 20 5 HIBDLN Cc1nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])sc1Cc1ccc(F)cc1F ZINC000552222461 941607403 /nfs/dbraw/zinc/60/74/03/941607403.db2.gz YNACSESPYAHSQH-UHFFFAOYSA-N 0 2 405.382 4.187 20 5 HIBDLN O=C(NCc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000559319661 943895326 /nfs/dbraw/zinc/89/53/26/943895326.db2.gz PBEPGEGKLSZZHW-UHFFFAOYSA-N 0 2 415.405 4.159 20 5 HIBDLN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560712041 944306116 /nfs/dbraw/zinc/30/61/16/944306116.db2.gz GWIXEWSZQIOHLA-UHFFFAOYSA-N 0 2 404.382 4.105 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2cc(Br)cc3cccnc32)ccc1[N+](=O)[O-] ZINC000565679976 945865924 /nfs/dbraw/zinc/86/59/24/945865924.db2.gz AGYDOLMKWLQVBT-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436963474 862143513 /nfs/dbraw/zinc/14/35/13/862143513.db2.gz NYMWCEXGZBKCOR-UHFFFAOYSA-N 0 2 409.442 4.440 20 5 HIBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000064478384 851909052 /nfs/dbraw/zinc/90/90/52/851909052.db2.gz SYLOMVFXKHBXBJ-UHFFFAOYSA-N 0 2 402.403 4.114 20 5 HIBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000112670854 853237516 /nfs/dbraw/zinc/23/75/16/853237516.db2.gz NFPXFURJBBGKHH-UHFFFAOYSA-N 0 2 403.391 4.030 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccc1[N+](=O)[O-] ZINC000319259789 855385409 /nfs/dbraw/zinc/38/54/09/855385409.db2.gz YUPLLOMZGPVLFJ-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1Cc1cccc(F)c1 ZINC000409517717 855519396 /nfs/dbraw/zinc/51/93/96/855519396.db2.gz JVDWOYONLNKOOG-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1Cc1ccc(C)cc1 ZINC000409531318 855526536 /nfs/dbraw/zinc/52/65/36/855526536.db2.gz ADKIXOUHTFGHSA-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c1C ZINC000409573271 855546967 /nfs/dbraw/zinc/54/69/67/855546967.db2.gz FSYPTJVQXIGILG-UHFFFAOYSA-N 0 2 408.524 4.261 20 5 HIBDLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437656005 862992609 /nfs/dbraw/zinc/99/26/09/862992609.db2.gz PJKCRTPUDDNATP-UHFFFAOYSA-N 0 2 411.727 4.304 20 5 HIBDLN Cc1cscc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000439643555 864969331 /nfs/dbraw/zinc/96/93/31/864969331.db2.gz RBDYRTZQGLFGLR-UHFFFAOYSA-N 0 2 417.468 4.018 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2ccccc2Br)CC1 ZINC000439977506 865273180 /nfs/dbraw/zinc/27/31/80/865273180.db2.gz JGAYEONTPREPCW-UHFFFAOYSA-N 0 2 405.248 4.083 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)s1 ZINC000443973680 868503450 /nfs/dbraw/zinc/50/34/50/868503450.db2.gz ZQMRVWJPLRYOAI-LLVKDONJSA-N 0 2 418.777 4.031 20 5 HIBDLN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446999602 870884274 /nfs/dbraw/zinc/88/42/74/870884274.db2.gz FZLLPDRZCHSMSX-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)c(Br)c1 ZINC000447007634 870888943 /nfs/dbraw/zinc/88/89/43/870888943.db2.gz QVEMEYJWCOTNLA-UHFFFAOYSA-N 0 2 407.192 4.096 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000447267343 871151555 /nfs/dbraw/zinc/15/15/55/871151555.db2.gz OGWNNJMUGVOKKH-UHFFFAOYSA-N 0 2 423.809 4.375 20 5 HIBDLN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000462543004 875664675 /nfs/dbraw/zinc/66/46/75/875664675.db2.gz QUFRCBVNAAZQJP-ZETCQYMHSA-N 0 2 411.213 4.219 20 5 HIBDLN Cc1c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)sc2ccc1F ZINC000464413080 877618046 /nfs/dbraw/zinc/61/80/46/877618046.db2.gz BAHKYFPRTAIAET-UHFFFAOYSA-N 0 2 418.431 4.001 20 5 HIBDLN COc1cccc(-c2nc(=NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)s[nH]2)c1 ZINC000476286488 891204586 /nfs/dbraw/zinc/20/45/86/891204586.db2.gz FOVNAGVCZKSUMM-UHFFFAOYSA-N 0 2 412.452 4.011 20 5 HIBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1[N+](=O)[O-] ZINC000479618683 894888575 /nfs/dbraw/zinc/88/85/75/894888575.db2.gz MRADIIHMMGXKPS-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN Cc1nc(-c2ccccc2C)sc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000482965192 898595345 /nfs/dbraw/zinc/59/53/45/898595345.db2.gz UAPXAZIWNLONPP-UHFFFAOYSA-N 0 2 420.454 4.373 20 5 HIBDLN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483440706 899075061 /nfs/dbraw/zinc/07/50/61/899075061.db2.gz NCXUZITWJQPZJY-UHFFFAOYSA-N 0 2 414.849 4.246 20 5 HIBDLN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483448733 899083673 /nfs/dbraw/zinc/08/36/73/899083673.db2.gz XKSYVNNTUVVZSR-MRVPVSSYSA-N 0 2 415.627 4.122 20 5 HIBDLN Cc1cc(F)c(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1F ZINC000485395078 900691982 /nfs/dbraw/zinc/69/19/82/900691982.db2.gz CEUDUJSINQNSFJ-UHFFFAOYSA-N 0 2 421.219 4.053 20 5 HIBDLN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490373885 903967252 /nfs/dbraw/zinc/96/72/52/903967252.db2.gz UGOZLIAAYVOZSV-CQSZACIVSA-N 0 2 409.446 4.218 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)c1C ZINC000494492675 905779396 /nfs/dbraw/zinc/77/93/96/905779396.db2.gz LUIYBMHCBZKHOS-UHFFFAOYSA-N 0 2 415.349 4.172 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c(C(F)(F)F)c1 ZINC000499274277 908650440 /nfs/dbraw/zinc/65/04/40/908650440.db2.gz QKOLHLKEPYBDSO-UHFFFAOYSA-N 0 2 413.333 4.069 20 5 HIBDLN O=C(Nc1ccccc1)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Cl ZINC000512961774 921439439 /nfs/dbraw/zinc/43/94/39/921439439.db2.gz LOTDWSOWVPAFOZ-UHFFFAOYSA-N 0 2 411.801 4.458 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2cccc(Br)c2n1 ZINC000539555158 938879155 /nfs/dbraw/zinc/87/91/55/938879155.db2.gz NYGHSTNDPOSRGP-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000541790600 939631559 /nfs/dbraw/zinc/63/15/59/939631559.db2.gz RPQWBTQEEBWVQJ-UHFFFAOYSA-N 0 2 401.423 4.272 20 5 HIBDLN Cc1cccc(CS(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1 ZINC000545857601 940639824 /nfs/dbraw/zinc/63/98/24/940639824.db2.gz ZLJYBDYQBIUGGS-UHFFFAOYSA-N 0 2 403.485 4.277 20 5 HIBDLN CSc1ccc([N+](=O)[O-])c(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000561845462 944819363 /nfs/dbraw/zinc/81/93/63/944819363.db2.gz ZZQUFJMZGYUSFX-UHFFFAOYSA-N 0 2 406.876 4.163 20 5 HIBDLN Cc1ccc(CS(=O)(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 ZINC000564129141 945391782 /nfs/dbraw/zinc/39/17/82/945391782.db2.gz LJIJBNSGSQADAY-UHFFFAOYSA-N 0 2 403.485 4.277 20 5 HIBDLN COCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000436959503 862141217 /nfs/dbraw/zinc/14/12/17/862141217.db2.gz ADHJTNQBLYDMKA-GFCCVEGCSA-N 0 2 412.364 4.169 20 5 HIBDLN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436963704 862144001 /nfs/dbraw/zinc/14/40/01/862144001.db2.gz FQYXUJMFOMGNFB-CYBMUJFWSA-N 0 2 407.264 4.156 20 5 HIBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000436977497 862156991 /nfs/dbraw/zinc/15/69/91/862156991.db2.gz FUOUVXDCHJKGFE-OAQYLSRUSA-N 0 2 409.417 4.395 20 5 HIBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000436992141 862167973 /nfs/dbraw/zinc/16/79/73/862167973.db2.gz XQYDRAFKFVNINH-CQSZACIVSA-N 0 2 423.288 4.372 20 5 HIBDLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1C ZINC000409504585 855513137 /nfs/dbraw/zinc/51/31/37/855513137.db2.gz VFMUWHSLZNFLBV-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN Cc1cc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)ccc1OC(C)C ZINC000430079026 858022704 /nfs/dbraw/zinc/02/27/04/858022704.db2.gz QEOFHVSRJUFLCS-UHFFFAOYSA-N 0 2 407.473 4.101 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2)c(C(F)(F)F)c1 ZINC000446949578 870857924 /nfs/dbraw/zinc/85/79/24/870857924.db2.gz HZPZNSKRGZBMJI-UHFFFAOYSA-N 0 2 415.393 4.015 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CSC(C)C)c1C ZINC000460836150 873725175 /nfs/dbraw/zinc/72/51/75/873725175.db2.gz JOMVTLHZIMVJSW-UHFFFAOYSA-N 0 2 410.517 4.354 20 5 HIBDLN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000462302863 875424935 /nfs/dbraw/zinc/42/49/35/875424935.db2.gz YBRGPQQTSUBZPN-SNVBAGLBSA-N 0 2 410.304 4.096 20 5 HIBDLN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469445443 883641846 /nfs/dbraw/zinc/64/18/46/883641846.db2.gz BXASTRFIEMCJEF-IBGZPJMESA-N 0 2 401.422 4.344 20 5 HIBDLN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469875526 884064382 /nfs/dbraw/zinc/06/43/82/884064382.db2.gz WBPJRZSZOQULKX-UHFFFAOYSA-N 0 2 402.366 4.288 20 5 HIBDLN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)cc1 ZINC000504541991 913320429 /nfs/dbraw/zinc/32/04/29/913320429.db2.gz MBOBQMGJFBYUBS-UHFFFAOYSA-N 0 2 421.409 4.204 20 5 HIBDLN COc1cc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000505192878 913874143 /nfs/dbraw/zinc/87/41/43/913874143.db2.gz CRVCYCKSWPVOJN-UHFFFAOYSA-N 0 2 422.437 4.160 20 5 HIBDLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(C)C)cc1 ZINC000480225381 895629369 /nfs/dbraw/zinc/62/93/69/895629369.db2.gz KFPPVZOLTOHADS-UHFFFAOYSA-N 0 2 414.487 4.322 20 5 HIBDLN CCSc1cccc(F)c1NC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] ZINC000484921944 900295709 /nfs/dbraw/zinc/29/57/09/900295709.db2.gz CKOMZMHYIBBDHZ-UHFFFAOYSA-N 0 2 424.450 4.132 20 5 HIBDLN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490377345 903970945 /nfs/dbraw/zinc/97/09/45/903970945.db2.gz ZBZAZQDIAVKWLQ-SECBINFHSA-N 0 2 422.228 4.093 20 5 HIBDLN COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1NC(=O)C1CCCCC1 ZINC000512967472 921442994 /nfs/dbraw/zinc/44/29/94/921442994.db2.gz QSVQSTZTQLQQIR-UHFFFAOYSA-N 0 2 413.430 4.080 20 5 HIBDLN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000513285872 921684078 /nfs/dbraw/zinc/68/40/78/921684078.db2.gz FJJCXGXNXUSWRV-ZDUSSCGKSA-N 0 2 404.850 4.057 20 5 HIBDLN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000513285871 921684425 /nfs/dbraw/zinc/68/44/25/921684425.db2.gz FJJCXGXNXUSWRV-CYBMUJFWSA-N 0 2 404.850 4.057 20 5 HIBDLN COc1cc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000506354535 914977354 /nfs/dbraw/zinc/97/73/54/914977354.db2.gz BXSWNSFUAZEFIO-ZDUSSCGKSA-N 0 2 400.431 4.121 20 5 HIBDLN O=C(NCc1ccccc1COc1ccccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000513425525 921795121 /nfs/dbraw/zinc/79/51/21/921795121.db2.gz XIMDVWUNASUYKX-UHFFFAOYSA-N 0 2 412.829 4.463 20 5 HIBDLN CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000507705722 916491235 /nfs/dbraw/zinc/49/12/35/916491235.db2.gz UXOWPRQGEHRGIP-UHFFFAOYSA-N 0 2 423.425 4.207 20 5 HIBDLN O=C(Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl)c1ccco1 ZINC000507756176 916544764 /nfs/dbraw/zinc/54/47/64/916544764.db2.gz GXFDXSUBCCJRRU-UHFFFAOYSA-N 0 2 401.762 4.051 20 5 HIBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000511714548 920378952 /nfs/dbraw/zinc/37/89/52/920378952.db2.gz JMMGBKPRBXWQBL-UHFFFAOYSA-N 0 2 405.819 4.236 20 5 HIBDLN CC(Sc1ccc([N+](=O)[O-])cc1)=C(O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000520966187 928893108 /nfs/dbraw/zinc/89/31/08/928893108.db2.gz UPTCRWRKKGAYSM-JTQLQIEISA-N 0 2 420.903 4.308 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000524553976 929682230 /nfs/dbraw/zinc/68/22/30/929682230.db2.gz ALBJPHQGTKJLLR-FPLPWBNLSA-N 0 2 417.468 4.031 20 5 HIBDLN Cc1c(NS(=O)(=O)c2cc(Br)sc2Cl)cccc1[N+](=O)[O-] ZINC000538753638 938702655 /nfs/dbraw/zinc/70/26/55/938702655.db2.gz YHRSBJOEMYBJRC-UHFFFAOYSA-N 0 2 411.686 4.181 20 5 HIBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(Cl)c2Oc2cccnc2)c1 ZINC000551996618 941565458 /nfs/dbraw/zinc/56/54/58/941565458.db2.gz WHDDWDAQOVJZBS-UHFFFAOYSA-N 0 2 405.819 4.236 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c(Cl)c1 ZINC000555457193 942558419 /nfs/dbraw/zinc/55/84/19/942558419.db2.gz AMMAPSOWMLTDQD-UHFFFAOYSA-N 0 2 413.839 4.312 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)sc2c1 ZINC000556082579 942802593 /nfs/dbraw/zinc/80/25/93/942802593.db2.gz NVMVXIYVOIBIMJ-UHFFFAOYSA-N 0 2 404.256 4.312 20 5 HIBDLN CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c12 ZINC000436616569 861870714 /nfs/dbraw/zinc/87/07/14/861870714.db2.gz FMUYWTUWFGOBCU-UHFFFAOYSA-N 0 2 408.370 4.301 20 5 HIBDLN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl)c1ccco1 ZINC000436960502 862140656 /nfs/dbraw/zinc/14/06/56/862140656.db2.gz QRQRNNLCRBBLBJ-UHFFFAOYSA-N 0 2 401.762 4.051 20 5 HIBDLN Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057721996 850702435 /nfs/dbraw/zinc/70/24/35/850702435.db2.gz XVPFXXFWYACFEE-UHFFFAOYSA-N 0 2 408.439 4.043 20 5 HIBDLN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436989109 862166950 /nfs/dbraw/zinc/16/69/50/862166950.db2.gz LVIOTKNVXHFFFQ-UHFFFAOYSA-N 0 2 416.821 4.056 20 5 HIBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-] ZINC000217936665 853862336 /nfs/dbraw/zinc/86/23/36/853862336.db2.gz PQCFKKBAAUCXKC-UHFFFAOYSA-N 0 2 401.897 4.083 20 5 HIBDLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1C ZINC000409496584 855508887 /nfs/dbraw/zinc/50/88/87/855508887.db2.gz BNKVLWBMNHSFEI-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN COc1ccc(-c2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000426743217 856448171 /nfs/dbraw/zinc/44/81/71/856448171.db2.gz NHZMKVRTCQDRIA-IBGZPJMESA-N 0 2 416.817 4.432 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000462444546 875551218 /nfs/dbraw/zinc/55/12/18/875551218.db2.gz CKNIWEKNBFTCGJ-IONNQARKSA-N 0 2 421.224 4.301 20 5 HIBDLN CCOc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1Cl ZINC000464524153 877743547 /nfs/dbraw/zinc/74/35/47/877743547.db2.gz FOQFNAUFITXRLC-UHFFFAOYSA-N 0 2 421.258 4.110 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2cccc(Br)c2n1 ZINC000465584541 879065812 /nfs/dbraw/zinc/06/58/12/879065812.db2.gz FACUPCSLBVMEML-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1sc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cc1[N+](=O)[O-] ZINC000466974463 880779897 /nfs/dbraw/zinc/77/98/97/880779897.db2.gz SVNKEXONRMHLLV-UHFFFAOYSA-N 0 2 405.457 4.261 20 5 HIBDLN CC(C)C[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C1 ZINC000486792878 901857873 /nfs/dbraw/zinc/85/78/73/901857873.db2.gz FHMCGKOXGDAYBJ-UHFFFAOYSA-N 0 2 409.895 4.021 20 5 HIBDLN CC(C)C[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C1 ZINC000486792878 901857874 /nfs/dbraw/zinc/85/78/74/901857874.db2.gz FHMCGKOXGDAYBJ-UHFFFAOYSA-N 0 2 409.895 4.021 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1[N+](=O)[O-] ZINC000491574696 904658215 /nfs/dbraw/zinc/65/82/15/904658215.db2.gz XUYNSXHDFQAWRQ-UHFFFAOYSA-N 0 2 408.524 4.378 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000494481926 905763060 /nfs/dbraw/zinc/76/30/60/905763060.db2.gz CXSMJEOONMUXJP-UHFFFAOYSA-N 0 2 415.349 4.118 20 5 HIBDLN CSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000540291847 939184627 /nfs/dbraw/zinc/18/46/27/939184627.db2.gz JMBCKBIGYFYEOE-UHFFFAOYSA-N 0 2 417.306 4.188 20 5 HIBDLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000543373409 940045516 /nfs/dbraw/zinc/04/55/16/940045516.db2.gz ADDITTFCJXFWNJ-UHFFFAOYSA-N 0 2 422.626 4.048 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000544742994 940509929 /nfs/dbraw/zinc/50/99/29/940509929.db2.gz SPILFNZKTXHXCM-UHFFFAOYSA-N 0 2 421.219 4.053 20 5 HIBDLN Cc1c(NS(=O)(=O)c2cc(Cl)ccc2F)cc(Br)cc1[N+](=O)[O-] ZINC000551118652 941413332 /nfs/dbraw/zinc/41/33/32/941413332.db2.gz PSIATGRZIVNLLG-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(C(F)(F)F)cc1Cl ZINC000557593956 943222536 /nfs/dbraw/zinc/22/25/36/943222536.db2.gz HRUMKFBHJSIHIB-UHFFFAOYSA-N 0 2 411.727 4.304 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)cc1[N+](=O)[O-] ZINC000016154038 846131756 /nfs/dbraw/zinc/13/17/56/846131756.db2.gz URGFSDQZCGJFGB-UHFFFAOYSA-N 0 2 415.452 4.167 20 5 HIBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000436620313 861872724 /nfs/dbraw/zinc/87/27/24/861872724.db2.gz SLABWKWXVVACAJ-UHFFFAOYSA-N 0 2 407.213 4.354 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000436777882 861969689 /nfs/dbraw/zinc/96/96/89/861969689.db2.gz OXPBTNNOLKGYIX-UHFFFAOYSA-N 0 2 410.348 4.219 20 5 HIBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000436978773 862156446 /nfs/dbraw/zinc/15/64/46/862156446.db2.gz JFTLXWYHDGYHQP-HXUWFJFHSA-N 0 2 413.380 4.225 20 5 HIBDLN CCOc1ccc2nc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])sc2c1 ZINC000060436790 851099349 /nfs/dbraw/zinc/09/93/49/851099349.db2.gz WFQVGGBVHVPELT-UHFFFAOYSA-N 0 2 407.473 4.021 20 5 HIBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000409574175 855547590 /nfs/dbraw/zinc/54/75/90/855547590.db2.gz MFOWDWQRIXNQPN-AWEZNQCLSA-N 0 2 415.496 4.125 20 5 HIBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000410402057 855976956 /nfs/dbraw/zinc/97/69/56/855976956.db2.gz HRGXPLOZRYRVTB-UHFFFAOYSA-N 0 2 421.258 4.110 20 5 HIBDLN Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)c1 ZINC000431320218 858562999 /nfs/dbraw/zinc/56/29/99/858562999.db2.gz YWZCJUJSTCPAJF-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)c(C(F)(F)F)c1 ZINC000446954580 870859281 /nfs/dbraw/zinc/85/92/81/870859281.db2.gz QDLHFFJQEAUFKM-UHFFFAOYSA-N 0 2 423.372 4.476 20 5 HIBDLN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446971499 870870721 /nfs/dbraw/zinc/87/07/21/870870721.db2.gz MANLPRWHCMJMJA-LLVKDONJSA-N 0 2 420.413 4.218 20 5 HIBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2cccnc21 ZINC000462362690 875476748 /nfs/dbraw/zinc/47/67/48/875476748.db2.gz WUBRCCZDWYTSAE-UHFFFAOYSA-N 0 2 415.324 4.102 20 5 HIBDLN Cc1cnc([C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000462389259 875499737 /nfs/dbraw/zinc/49/97/37/875499737.db2.gz BTVPUBSSCOTZFK-LBPRGKRZSA-N 0 2 422.315 4.096 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)c([N+](=O)[O-])c1 ZINC000469030379 883098628 /nfs/dbraw/zinc/09/86/28/883098628.db2.gz UPQGQJIBXCVAOG-UHFFFAOYSA-N 0 2 419.484 4.145 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c2ncccc12 ZINC000464414517 877622197 /nfs/dbraw/zinc/62/21/97/877622197.db2.gz LGXVUBRXNUOYJH-UHFFFAOYSA-N 0 2 420.859 4.207 20 5 HIBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000469560372 883814287 /nfs/dbraw/zinc/81/42/87/883814287.db2.gz LUERKRAPFPCPEK-UHFFFAOYSA-N 0 2 401.806 4.115 20 5 HIBDLN Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000475833630 890766558 /nfs/dbraw/zinc/76/65/58/890766558.db2.gz OXKXGQYSZSXBFA-UHFFFAOYSA-N 0 2 409.876 4.481 20 5 HIBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1[N+](=O)[O-] ZINC000479609802 894883612 /nfs/dbraw/zinc/88/36/12/894883612.db2.gz SBOHWGIYWCTKQE-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1C ZINC000479998488 895353090 /nfs/dbraw/zinc/35/30/90/895353090.db2.gz YRQXXGXHDXZFJX-UHFFFAOYSA-N 0 2 417.390 4.039 20 5 HIBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000483432547 899063571 /nfs/dbraw/zinc/06/35/71/899063571.db2.gz INYOKOGUXQIKAZ-UHFFFAOYSA-N 0 2 421.196 4.442 20 5 HIBDLN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483448734 899085437 /nfs/dbraw/zinc/08/54/37/899085437.db2.gz XKSYVNNTUVVZSR-QMMMGPOBSA-N 0 2 415.627 4.122 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccc(O)cc32)c(Br)c1 ZINC000484712264 900144528 /nfs/dbraw/zinc/14/45/28/900144528.db2.gz GBGIZBZMGCLPHI-UHFFFAOYSA-N 0 2 423.244 4.017 20 5 HIBDLN O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000498351190 907853018 /nfs/dbraw/zinc/85/30/18/907853018.db2.gz FJEGVMPYSINARO-NDEPHWFRSA-N 0 2 402.472 4.134 20 5 HIBDLN COc1cc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000506670130 915344358 /nfs/dbraw/zinc/34/43/58/915344358.db2.gz SWJQVQHPUAUGDG-AWEZNQCLSA-N 0 2 402.447 4.225 20 5 HIBDLN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000511377269 919976469 /nfs/dbraw/zinc/97/64/69/919976469.db2.gz JQQQEAJPVMXJPR-JTQLQIEISA-N 0 2 401.419 4.362 20 5 HIBDLN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1SC ZINC000542446233 939824475 /nfs/dbraw/zinc/82/44/75/939824475.db2.gz MTBNWWZYBBPEGW-UHFFFAOYSA-N 0 2 419.850 4.016 20 5 HIBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000543165184 939983318 /nfs/dbraw/zinc/98/33/18/939983318.db2.gz SXFYCEYBPXPORB-UHFFFAOYSA-N 0 2 420.487 4.429 20 5 HIBDLN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)s2)cc1OC ZINC000543445524 940065674 /nfs/dbraw/zinc/06/56/74/940065674.db2.gz PKBKZXHLXCOHRH-UHFFFAOYSA-N 0 2 415.427 4.002 20 5 HIBDLN Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000546151921 940715096 /nfs/dbraw/zinc/71/50/96/940715096.db2.gz TXBQTPNGEXSWNA-UHFFFAOYSA-N 0 2 407.213 4.260 20 5 HIBDLN Cc1cc(NCc2nnc(COc3ccccc3)[nH]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549175400 941168533 /nfs/dbraw/zinc/16/85/33/941168533.db2.gz ALLKWVDYHOVINL-UHFFFAOYSA-N 0 2 407.352 4.231 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c([N+](=O)[O-])c1 ZINC000550441254 941327671 /nfs/dbraw/zinc/32/76/71/941327671.db2.gz ZYWVTAXZPBVFGB-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(cccc3C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000550815870 941370395 /nfs/dbraw/zinc/37/03/95/941370395.db2.gz OXPFKGRMAQWIHT-UHFFFAOYSA-N 0 2 417.390 4.333 20 5 HIBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 ZINC000561153033 944485024 /nfs/dbraw/zinc/48/50/24/944485024.db2.gz CQOJLVGKURPTSQ-UHFFFAOYSA-N 0 2 409.876 4.096 20 5 HIBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2ccc(Br)cc2)CC1 ZINC000566331608 946003784 /nfs/dbraw/zinc/00/37/84/946003784.db2.gz WIXTWNQONNMSNE-UHFFFAOYSA-N 0 2 405.248 4.083 20 5 HIBDLN C[C@H](C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000569301531 946856269 /nfs/dbraw/zinc/85/62/69/946856269.db2.gz VMLGQBGPSAWIQP-VIFPVBQESA-N 0 2 406.229 4.429 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000436870682 862047824 /nfs/dbraw/zinc/04/78/24/862047824.db2.gz HXAULCAKISQLLQ-GOSISDBHSA-N 0 2 410.405 4.197 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000055558137 850053626 /nfs/dbraw/zinc/05/36/26/850053626.db2.gz KIWLUYHJFNPGPJ-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC000436965042 862145713 /nfs/dbraw/zinc/14/57/13/862145713.db2.gz JQWODROBHNZRDN-UHFFFAOYSA-N 0 2 405.838 4.125 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1Cc1cccc(F)c1 ZINC000409516578 855519301 /nfs/dbraw/zinc/51/93/01/855519301.db2.gz HSIQIUYVBCGTKZ-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(C)cc2)n1 ZINC000427323200 856772013 /nfs/dbraw/zinc/77/20/13/856772013.db2.gz WQWPNOPTGPJSLS-UHFFFAOYSA-N 0 2 418.409 4.349 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1C ZINC000433130000 859533311 /nfs/dbraw/zinc/53/33/11/859533311.db2.gz GDRYZWTWIAHABJ-UHFFFAOYSA-N 0 2 404.448 4.050 20 5 HIBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(-c2cc3ccccc3s2)[nH]n1 ZINC000433153353 859542638 /nfs/dbraw/zinc/54/26/38/859542638.db2.gz PKROVTMKOIZUER-UHFFFAOYSA-N 0 2 414.468 4.142 20 5 HIBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000443999320 868519821 /nfs/dbraw/zinc/51/98/21/868519821.db2.gz ANICUKLNNMHQNR-UHFFFAOYSA-N 0 2 422.466 4.075 20 5 HIBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c2cccnc21 ZINC000446771226 870685000 /nfs/dbraw/zinc/68/50/00/870685000.db2.gz YMOJUFHEGNJOTJ-UHFFFAOYSA-N 0 2 412.254 4.392 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)c1C ZINC000446772578 870685299 /nfs/dbraw/zinc/68/52/99/870685299.db2.gz KCNVNFOJRLARSP-LLVKDONJSA-N 0 2 410.496 4.010 20 5 HIBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)cc1[N+](=O)[O-] ZINC000462101991 875210062 /nfs/dbraw/zinc/21/00/62/875210062.db2.gz MUMFMLJIMAUVOE-UHFFFAOYSA-N 0 2 410.757 4.082 20 5 HIBDLN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000462302862 875424742 /nfs/dbraw/zinc/42/47/42/875424742.db2.gz YBRGPQQTSUBZPN-JTQLQIEISA-N 0 2 410.304 4.096 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000462378145 875489123 /nfs/dbraw/zinc/48/91/23/875489123.db2.gz DGOOEPGGMSZMQD-HNNXBMFYSA-N 0 2 403.504 4.064 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000462378145 875489131 /nfs/dbraw/zinc/48/91/31/875489131.db2.gz DGOOEPGGMSZMQD-HNNXBMFYSA-N 0 2 403.504 4.064 20 5 HIBDLN Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1Br ZINC000462377700 875489370 /nfs/dbraw/zinc/48/93/70/875489370.db2.gz CJANVVDACYDRNY-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000462543003 875664747 /nfs/dbraw/zinc/66/47/47/875664747.db2.gz QUFRCBVNAAZQJP-SSDOTTSWSA-N 0 2 411.213 4.219 20 5 HIBDLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1)c1ccccc1 ZINC000471508053 886208924 /nfs/dbraw/zinc/20/89/24/886208924.db2.gz NQGVOUFJQOARHX-HNNXBMFYSA-N 0 2 418.500 4.097 20 5 HIBDLN Cc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1[N+](=O)[O-] ZINC000504525176 913307015 /nfs/dbraw/zinc/30/70/15/913307015.db2.gz VZGGQTFBSTUZOC-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000477058940 891990956 /nfs/dbraw/zinc/99/09/56/891990956.db2.gz MIQAKKVCZPGJIX-UHFFFAOYSA-N 0 2 420.446 4.400 20 5 HIBDLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1ccc([N+](=O)[O-])o1 ZINC000505205599 913883029 /nfs/dbraw/zinc/88/30/29/913883029.db2.gz VNMLUFPULOVUET-UHFFFAOYSA-N 0 2 408.395 4.173 20 5 HIBDLN Cc1ccc(-n2ncc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2C(C)C)cc1 ZINC000480220483 895625637 /nfs/dbraw/zinc/62/56/37/895625637.db2.gz RJEIUIFYPGHUQE-UHFFFAOYSA-N 0 2 414.487 4.322 20 5 HIBDLN CC(C)(C)n1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(-c2ccc(F)cc2F)n1 ZINC000483446375 899081891 /nfs/dbraw/zinc/08/18/91/899081891.db2.gz ZRHCDGQFJCORPE-UHFFFAOYSA-N 0 2 416.384 4.449 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486094070 901281732 /nfs/dbraw/zinc/28/17/32/901281732.db2.gz LOMOFLLMKUANKT-UHFFFAOYSA-N 0 2 400.460 4.013 20 5 HIBDLN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490377346 903970598 /nfs/dbraw/zinc/97/05/98/903970598.db2.gz ZBZAZQDIAVKWLQ-VIFPVBQESA-N 0 2 422.228 4.093 20 5 HIBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000502615829 911639694 /nfs/dbraw/zinc/63/96/94/911639694.db2.gz CSQMUFIPTPUYPT-UHFFFAOYSA-N 0 2 418.500 4.079 20 5 HIBDLN CCCCCOc1ccc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000506356522 914976624 /nfs/dbraw/zinc/97/66/24/914976624.db2.gz MWEZYBCBGYTSGX-CQSZACIVSA-N 0 2 402.447 4.369 20 5 HIBDLN O=C(N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000511375737 919972801 /nfs/dbraw/zinc/97/28/01/919972801.db2.gz FGFYZDKKJWGADG-HNNXBMFYSA-N 0 2 413.430 4.370 20 5 HIBDLN CCn1c(C)nc([N+](=O)[O-])c1Oc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1 ZINC000516108921 923547555 /nfs/dbraw/zinc/54/75/55/923547555.db2.gz SJUMWXFQYZONOS-UHFFFAOYSA-N 0 2 422.488 4.083 20 5 HIBDLN C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc(-c4ccccc4F)n[nH]3)cc2[N+](=O)[O-])C1 ZINC000520273409 928437497 /nfs/dbraw/zinc/43/74/97/928437497.db2.gz OHVHHOMUCFVXMR-CYBMUJFWSA-N 0 2 424.436 4.008 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC1CCCCC1 ZINC000535025273 932887486 /nfs/dbraw/zinc/88/74/86/932887486.db2.gz GSHBXXTVRGMDNV-UHFFFAOYSA-N 0 2 405.476 4.149 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000563306647 945172803 /nfs/dbraw/zinc/17/28/03/945172803.db2.gz KBQCTEUAFXFVRJ-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[nH]nc1-c1ccccc1 ZINC000539109179 938804140 /nfs/dbraw/zinc/80/41/40/938804140.db2.gz QLZCLIPGWXNXDD-UHFFFAOYSA-N 0 2 406.851 4.056 20 5 HIBDLN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000541789234 939631126 /nfs/dbraw/zinc/63/11/26/939631126.db2.gz RSIPPIHTCYZXDB-UHFFFAOYSA-N 0 2 419.413 4.411 20 5 HIBDLN COc1ccc(-c2csc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])n2)cc1Cl ZINC000552329468 941633618 /nfs/dbraw/zinc/63/36/18/941633618.db2.gz OHUWOYPNOUNKBZ-UHFFFAOYSA-N 0 2 405.819 4.338 20 5 HIBDLN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000557118503 943024614 /nfs/dbraw/zinc/02/46/14/943024614.db2.gz PFCARFPBSLVJND-UHFFFAOYSA-N 0 2 400.822 4.068 20 5 HIBDLN Cc1ccc(-c2csc(NS(=O)(=O)Cc3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000576057365 948816408 /nfs/dbraw/zinc/81/64/08/948816408.db2.gz SIYMYVCJDPRKSM-UHFFFAOYSA-N 0 2 407.448 4.108 20 5 HIBDLN Cc1ccc(NS(=O)(=O)c2cc(Br)cc3cccnc32)cc1[N+](=O)[O-] ZINC000576067275 948819050 /nfs/dbraw/zinc/81/90/50/948819050.db2.gz NYECLAMOEIPHFH-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN CCn1c(SCc2nc(=O)c3sccc3[nH]2)nc2cc3ccccc3cc2c1=O ZINC000024891355 846883098 /nfs/dbraw/zinc/88/30/98/846883098.db2.gz XBFCMBWXJFQPNF-UHFFFAOYSA-N 0 2 420.519 4.160 20 5 HIBDLN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436705575 861897708 /nfs/dbraw/zinc/89/77/08/861897708.db2.gz RSOREIIWKPYIHW-UHFFFAOYSA-N 0 2 407.386 4.138 20 5 HIBDLN O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436871909 862047636 /nfs/dbraw/zinc/04/76/36/862047636.db2.gz UQAWVJGKYPBROZ-UHFFFAOYSA-N 0 2 417.849 4.269 20 5 HIBDLN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436963705 862143118 /nfs/dbraw/zinc/14/31/18/862143118.db2.gz FQYXUJMFOMGNFB-ZDUSSCGKSA-N 0 2 407.264 4.156 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nccc(C)c3[N+](=O)[O-])cc2)s1 ZINC000301290795 854349907 /nfs/dbraw/zinc/34/99/07/854349907.db2.gz NPAVNJYRFFTKIL-UHFFFAOYSA-N 0 2 405.457 4.261 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1ccc(C)cc1 ZINC000409533656 855527915 /nfs/dbraw/zinc/52/79/15/855527915.db2.gz GLOVXEZWZGAIBV-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc1Cc1ccccc1F ZINC000409536489 855530490 /nfs/dbraw/zinc/53/04/90/855530490.db2.gz OKQQRNWFPJLBBZ-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)s2)c(C)c1 ZINC000431326697 858567078 /nfs/dbraw/zinc/56/70/78/858567078.db2.gz NQGYGIRNFHLYAU-UHFFFAOYSA-N 0 2 418.500 4.148 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432366363 859124549 /nfs/dbraw/zinc/12/45/49/859124549.db2.gz APDSWJMQCQKHOF-UHFFFAOYSA-N 0 2 413.839 4.312 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c(C(F)(F)F)c1 ZINC000446972267 870870532 /nfs/dbraw/zinc/87/05/32/870870532.db2.gz SKAXAKGRKQWNMX-UHFFFAOYSA-N 0 2 421.422 4.140 20 5 HIBDLN COc1ccc(S(=O)(=O)Nc2cccc(CSC(C)C)c2C)c([N+](=O)[O-])c1 ZINC000460823188 873706522 /nfs/dbraw/zinc/70/65/22/873706522.db2.gz KEQIUFYQDHEDHN-UHFFFAOYSA-N 0 2 410.517 4.354 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c2ncccc12 ZINC000463524476 876592439 /nfs/dbraw/zinc/59/24/39/876592439.db2.gz QIXNGSAKUNJHNX-UHFFFAOYSA-N 0 2 415.324 4.102 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)c2ncccc12 ZINC000464418773 877626867 /nfs/dbraw/zinc/62/68/67/877626867.db2.gz CGYPFOFYVVDPAF-UHFFFAOYSA-N 0 2 406.423 4.006 20 5 HIBDLN CCOc1c(Cl)cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000464536312 877752511 /nfs/dbraw/zinc/75/25/11/877752511.db2.gz BKGYZKYMOBIYQW-UHFFFAOYSA-N 0 2 421.258 4.110 20 5 HIBDLN COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000469352841 883472744 /nfs/dbraw/zinc/47/27/44/883472744.db2.gz XDAACYUUWTYNML-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000469510474 883766435 /nfs/dbraw/zinc/76/64/35/883766435.db2.gz MLOYXXHQXZSNPO-AWEZNQCLSA-N 0 2 420.425 4.435 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000475830886 890765061 /nfs/dbraw/zinc/76/50/61/890765061.db2.gz NEADBOFTIBRBJE-UHFFFAOYSA-N 0 2 402.428 4.281 20 5 HIBDLN COc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc([N+](=O)[O-])c1C ZINC000484858652 900250128 /nfs/dbraw/zinc/25/01/28/900250128.db2.gz USGXLSDNTGOXDL-UHFFFAOYSA-N 0 2 422.228 4.256 20 5 HIBDLN Cc1n[nH]c(NC(=O)CC(=Cc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 ZINC000502694119 911731128 /nfs/dbraw/zinc/73/11/28/911731128.db2.gz ZKIIOWXSLDHLAY-GXDHUFHOSA-N 0 2 420.454 4.200 20 5 HIBDLN COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000508080766 916898915 /nfs/dbraw/zinc/89/89/15/916898915.db2.gz AHNNTBSDSOIIQT-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN CC(Sc1ccc([N+](=O)[O-])cc1)=C(O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000520321419 928484270 /nfs/dbraw/zinc/48/42/70/928484270.db2.gz PXSICIAAODTCBC-SNVBAGLBSA-N 0 2 420.903 4.308 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c(Cl)c1 ZINC000530717018 930806752 /nfs/dbraw/zinc/80/67/52/930806752.db2.gz PHSCVTVTTYLEAJ-UHFFFAOYSA-N 0 2 418.818 4.185 20 5 HIBDLN Cc1c(Br)cccc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000539551145 938878882 /nfs/dbraw/zinc/87/88/82/938878882.db2.gz BXLPTYGOIWUKPN-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000541072102 939450454 /nfs/dbraw/zinc/45/04/54/939450454.db2.gz MRPFGSBOWDWHSQ-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)sc2c1 ZINC000550652722 941350348 /nfs/dbraw/zinc/35/03/48/941350348.db2.gz QHDPRVTXHHUXHZ-UHFFFAOYSA-N 0 2 403.363 4.024 20 5 HIBDLN Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000560761358 944323279 /nfs/dbraw/zinc/32/32/79/944323279.db2.gz SAPMYMMOAGENPZ-UHFFFAOYSA-N 0 2 404.220 4.034 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000572896886 948033274 /nfs/dbraw/zinc/03/32/74/948033274.db2.gz OIEOPFNOFGLHGP-UHFFFAOYSA-N 0 2 420.878 4.106 20 5 HIBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000436429316 861791121 /nfs/dbraw/zinc/79/11/21/861791121.db2.gz CVIJLOFMPKHXOG-UHFFFAOYSA-N 0 2 414.849 4.190 20 5 HIBDLN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c12 ZINC000436851459 862029946 /nfs/dbraw/zinc/02/99/46/862029946.db2.gz LGVSFJGDZMLBAN-UHFFFAOYSA-N 0 2 408.345 4.203 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000436870683 862048744 /nfs/dbraw/zinc/04/87/44/862048744.db2.gz HXAULCAKISQLLQ-SFHVURJKSA-N 0 2 410.405 4.197 20 5 HIBDLN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436896238 862071783 /nfs/dbraw/zinc/07/17/83/862071783.db2.gz XTSRMOGFGWLLBX-UHFFFAOYSA-N 0 2 402.366 4.288 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000436936645 862114757 /nfs/dbraw/zinc/11/47/57/862114757.db2.gz GLAFPFMGUWUOJA-HNNXBMFYSA-N 0 2 409.211 4.179 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000436939699 862116833 /nfs/dbraw/zinc/11/68/33/862116833.db2.gz PXLBMWTUTBIDPP-HNNXBMFYSA-N 0 2 412.389 4.250 20 5 HIBDLN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)oc1C ZINC000057119695 850552416 /nfs/dbraw/zinc/55/24/16/850552416.db2.gz DPJWBGMAAUHPAP-UHFFFAOYSA-N 0 2 407.835 4.321 20 5 HIBDLN Cc1nnc(Sc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c(C)c2)s1 ZINC000436960754 862140784 /nfs/dbraw/zinc/14/07/84/862140784.db2.gz IAWQPZHQYRBAEV-UHFFFAOYSA-N 0 2 402.457 4.172 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1Nc1ccc(C)cc1 ZINC000071974420 852452339 /nfs/dbraw/zinc/45/23/39/852452339.db2.gz ISABFTZKIUQZQE-UHFFFAOYSA-N 0 2 413.455 4.456 20 5 HIBDLN Cc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000314127146 855374929 /nfs/dbraw/zinc/37/49/29/855374929.db2.gz FSTBFIYVPXIEIE-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000391791504 855461134 /nfs/dbraw/zinc/46/11/34/855461134.db2.gz MLFCANKIBAGWBN-UHFFFAOYSA-N 0 2 419.684 4.374 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1Cc1cccc(C)c1 ZINC000409540859 855533015 /nfs/dbraw/zinc/53/30/15/855533015.db2.gz JYRDRDCRGREVTG-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1Cc1cccc(C)c1 ZINC000409541035 855533248 /nfs/dbraw/zinc/53/32/48/855533248.db2.gz MSIDXPFBSZLSNG-UHFFFAOYSA-N 0 2 417.512 4.368 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1[N+](=O)[O-] ZINC000433162536 859548442 /nfs/dbraw/zinc/54/84/42/859548442.db2.gz URUREJKJNRYAQR-UHFFFAOYSA-N 0 2 404.448 4.050 20 5 HIBDLN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000443529824 868087231 /nfs/dbraw/zinc/08/72/31/868087231.db2.gz NDXMSIBOHOQSEN-UHFFFAOYSA-N 0 2 422.356 4.174 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000462444544 875552430 /nfs/dbraw/zinc/55/24/30/875552430.db2.gz CKNIWEKNBFTCGJ-CBAPKCEASA-N 0 2 421.224 4.301 20 5 HIBDLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000463171415 876227365 /nfs/dbraw/zinc/22/73/65/876227365.db2.gz NBUOMLMVDJHBSG-UHFFFAOYSA-N 0 2 417.212 4.420 20 5 HIBDLN Cc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463524997 876594745 /nfs/dbraw/zinc/59/47/45/876594745.db2.gz HGLHFMQQPPYBSQ-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)c2ncccc12 ZINC000463787939 876906436 /nfs/dbraw/zinc/90/64/36/876906436.db2.gz DCYDPOVZIOUSLV-UHFFFAOYSA-N 0 2 422.422 4.131 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)c2ncccc12 ZINC000464418429 877626725 /nfs/dbraw/zinc/62/67/25/877626725.db2.gz BJZXTBPZNOGTCH-UHFFFAOYSA-N 0 2 418.500 4.448 20 5 HIBDLN Cc1c(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cnn1-c1ccc(Cl)cc1 ZINC000473767779 888564986 /nfs/dbraw/zinc/56/49/86/888564986.db2.gz UOKWYUGFTAEXFE-UHFFFAOYSA-N 0 2 420.878 4.160 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000476423329 891334598 /nfs/dbraw/zinc/33/45/98/891334598.db2.gz NRONSTXBDRVXJS-UHFFFAOYSA-N 0 2 408.476 4.028 20 5 HIBDLN C[C@@H](C(=O)c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477086256 892019189 /nfs/dbraw/zinc/01/91/89/892019189.db2.gz MNZCMXWWDBEKCT-HNNXBMFYSA-N 0 2 411.435 4.432 20 5 HIBDLN Cc1coc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2C)n1 ZINC000477415680 892367657 /nfs/dbraw/zinc/36/76/57/892367657.db2.gz SNBHIKKCXSICSG-UHFFFAOYSA-N 0 2 407.835 4.321 20 5 HIBDLN Cc1cccc(-n2ncc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2C(F)(F)F)c1 ZINC000483439259 899073820 /nfs/dbraw/zinc/07/38/20/899073820.db2.gz KBBNMKINSRJIQK-UHFFFAOYSA-N 0 2 406.320 4.066 20 5 HIBDLN Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000483440056 899075235 /nfs/dbraw/zinc/07/52/35/899075235.db2.gz PGJGCDGIMGBQCI-IBGZPJMESA-N 0 2 419.437 4.109 20 5 HIBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1C(C)C ZINC000484137784 899758251 /nfs/dbraw/zinc/75/82/51/899758251.db2.gz HOMMYEOLWXLMLF-UHFFFAOYSA-N 0 2 414.867 4.190 20 5 HIBDLN Cc1ccc(-c2nc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cs2)cc1 ZINC000490375055 903968512 /nfs/dbraw/zinc/96/85/12/903968512.db2.gz ZTPLWBWAZLRDRF-UHFFFAOYSA-N 0 2 406.427 4.064 20 5 HIBDLN O=[N+]([O-])c1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c(Cl)c1 ZINC000512652638 921275324 /nfs/dbraw/zinc/27/53/24/921275324.db2.gz PYOFZGGCXHTXSE-UHFFFAOYSA-N 0 2 424.891 4.118 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Br)c2cccnc12 ZINC000509384929 918050308 /nfs/dbraw/zinc/05/03/08/918050308.db2.gz MPGSWCBWWOEDOA-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c(C(F)(F)F)c1 ZINC000513817811 922141628 /nfs/dbraw/zinc/14/16/28/922141628.db2.gz PKWMEJYDSAGNDG-UHFFFAOYSA-N 0 2 413.333 4.069 20 5 HIBDLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000520966865 928894010 /nfs/dbraw/zinc/89/40/10/928894010.db2.gz JSFGRNUNANBRTF-UHFFFAOYSA-N 0 2 415.862 4.015 20 5 HIBDLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000521365185 929185670 /nfs/dbraw/zinc/18/56/70/929185670.db2.gz HBJNPDZZCIGIGE-UHFFFAOYSA-N 0 2 400.803 4.187 20 5 HIBDLN C[C@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000525186680 930080246 /nfs/dbraw/zinc/08/02/46/930080246.db2.gz JRCDKTOIJCXFCQ-GZMMTYOYSA-N 0 2 405.259 4.097 20 5 HIBDLN CC(C)(C)n1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(-c2ccc(F)cc2F)n1 ZINC000537768872 938373235 /nfs/dbraw/zinc/37/32/35/938373235.db2.gz SLLPHBNRWHVQIP-UHFFFAOYSA-N 0 2 416.384 4.449 20 5 HIBDLN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000537769063 938373409 /nfs/dbraw/zinc/37/34/09/938373409.db2.gz RTUDRUPBVDSQIY-UHFFFAOYSA-N 0 2 419.846 4.171 20 5 HIBDLN Cc1c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cnn1-c1ccc(Cl)cc1 ZINC000540205588 939126782 /nfs/dbraw/zinc/12/67/82/939126782.db2.gz OPPARZCFDYIZBB-UHFFFAOYSA-N 0 2 420.878 4.160 20 5 HIBDLN C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1[N+](=O)[O-] ZINC000541797604 939634973 /nfs/dbraw/zinc/63/49/73/939634973.db2.gz ZPTRJULSJLAYMM-JTQLQIEISA-N 0 2 403.851 4.071 20 5 HIBDLN COc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1[N+](=O)[O-] ZINC000542074585 939702991 /nfs/dbraw/zinc/70/29/91/939702991.db2.gz XABLLZYVSLUYOV-UHFFFAOYSA-N 0 2 417.219 4.008 20 5 HIBDLN COc1ccc(Oc2ccc(CCNC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)cc1 ZINC000552369193 941647257 /nfs/dbraw/zinc/64/72/57/941647257.db2.gz WGWHLGBVZRNGKY-UHFFFAOYSA-N 0 2 408.410 4.074 20 5 HIBDLN O=C(NCc1ccc(-n2cnc3ccccc32)cc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000556939872 942974501 /nfs/dbraw/zinc/97/45/01/942974501.db2.gz NXKDBBJLEAQIAP-UHFFFAOYSA-N 0 2 422.828 4.223 20 5 HIBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2ccccc2Br)CC1 ZINC000557005961 942992246 /nfs/dbraw/zinc/99/22/46/942992246.db2.gz OWEIQPVTWIZQJG-UHFFFAOYSA-N 0 2 405.248 4.083 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3cccc4ccccc43)o2)c1 ZINC000566078759 945999638 /nfs/dbraw/zinc/99/96/38/945999638.db2.gz WXZUAADBYSXOJY-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccsc1 ZINC000052129349 849553843 /nfs/dbraw/zinc/55/38/43/849553843.db2.gz XDTJPTZWSMQZOK-UHFFFAOYSA-N 0 2 419.484 4.078 20 5 HIBDLN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c12 ZINC000436851823 862031280 /nfs/dbraw/zinc/03/12/80/862031280.db2.gz NAROWPYBJGIMPQ-UHFFFAOYSA-N 0 2 409.446 4.238 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1C ZINC000060499307 851122453 /nfs/dbraw/zinc/12/24/53/851122453.db2.gz AMURCYYCSWKIHM-UHFFFAOYSA-N 0 2 421.475 4.199 20 5 HIBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000323629591 855395422 /nfs/dbraw/zinc/39/54/22/855395422.db2.gz DRTHZNMYDXWTGD-UHFFFAOYSA-N 0 2 419.684 4.428 20 5 HIBDLN Cc1sc(NS(=O)(=O)Cc2ccc(F)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000409459142 855489351 /nfs/dbraw/zinc/48/93/51/855489351.db2.gz LEXXGUTZIGTBEN-UHFFFAOYSA-N 0 2 407.448 4.108 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c(Cl)c1 ZINC000432360776 859121764 /nfs/dbraw/zinc/12/17/64/859121764.db2.gz XJQLNMPCTYCDON-UHFFFAOYSA-N 0 2 413.839 4.312 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000447010707 870890158 /nfs/dbraw/zinc/89/01/58/870890158.db2.gz LJOHUCOOBVAVLF-UHFFFAOYSA-N 0 2 414.283 4.433 20 5 HIBDLN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463161104 876215050 /nfs/dbraw/zinc/21/50/50/876215050.db2.gz HMUGPYSXKDXRHP-UHFFFAOYSA-N 0 2 406.229 4.258 20 5 HIBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000463432017 876487217 /nfs/dbraw/zinc/48/72/17/876487217.db2.gz DZHIQFWJKYXSFA-UHFFFAOYSA-N 0 2 421.219 4.053 20 5 HIBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000463433407 876490071 /nfs/dbraw/zinc/49/00/71/876490071.db2.gz XDMHUPPCQRXWAR-UHFFFAOYSA-N 0 2 421.219 4.053 20 5 HIBDLN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2)oc1C ZINC000463516261 876581167 /nfs/dbraw/zinc/58/11/67/876581167.db2.gz MCHMAUPMBMKVPL-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnccc2Oc2ccccc2)c2ncccc12 ZINC000464409053 877612989 /nfs/dbraw/zinc/61/29/89/877612989.db2.gz JRLJXCJOFLFKOC-UHFFFAOYSA-N 0 2 422.422 4.131 20 5 HIBDLN Cc1c2nc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2ccc1F ZINC000464905357 878218425 /nfs/dbraw/zinc/21/84/25/878218425.db2.gz CBQNKWXVEJRPPZ-UHFFFAOYSA-N 0 2 401.828 4.106 20 5 HIBDLN O=C(Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469562405 883815026 /nfs/dbraw/zinc/81/50/26/883815026.db2.gz QTHANNUTWNJCJP-UHFFFAOYSA-N 0 2 410.336 4.374 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000503986596 912898169 /nfs/dbraw/zinc/89/81/69/912898169.db2.gz LVKKXIRNNNOEDD-UHFFFAOYSA-N 0 2 414.487 4.323 20 5 HIBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000504244780 913112371 /nfs/dbraw/zinc/11/23/71/913112371.db2.gz BETYKYXUJPLZPU-UHFFFAOYSA-N 0 2 423.647 4.259 20 5 HIBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc2ccccc2c2cccnc12 ZINC000474586431 889455900 /nfs/dbraw/zinc/45/59/00/889455900.db2.gz OTRUCEXDXQHSGH-UHFFFAOYSA-N 0 2 409.449 4.015 20 5 HIBDLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000479129819 894397500 /nfs/dbraw/zinc/39/75/00/894397500.db2.gz LSAQXFXBEIIDSV-UHFFFAOYSA-N 0 2 420.878 4.160 20 5 HIBDLN CC(C)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1Cl ZINC000480244773 895654545 /nfs/dbraw/zinc/65/45/45/895654545.db2.gz HAZJZHJZYYWWJZ-UHFFFAOYSA-N 0 2 420.878 4.358 20 5 HIBDLN Cc1sc(NS(=O)(=O)Cc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000481396846 896803609 /nfs/dbraw/zinc/80/36/09/896803609.db2.gz CTCNRIKGZQNYDU-UHFFFAOYSA-N 0 2 407.448 4.108 20 5 HIBDLN Cc1cc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)nc2cc1F ZINC000481888407 897263553 /nfs/dbraw/zinc/26/35/53/897263553.db2.gz NDJZASGAPODSDL-UHFFFAOYSA-N 0 2 418.431 4.001 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000486080644 901269953 /nfs/dbraw/zinc/26/99/53/901269953.db2.gz KRKDRCAKJMTMEZ-UHFFFAOYSA-N 0 2 414.487 4.322 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000499639358 908863087 /nfs/dbraw/zinc/86/30/87/908863087.db2.gz ANPLJNIBOOAYAP-MRVPVSSYSA-N 0 2 403.234 4.005 20 5 HIBDLN Cc1n[nH]c(NC(=O)CC(=Cc2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)n1 ZINC000502694120 911731590 /nfs/dbraw/zinc/73/15/90/911731590.db2.gz ZKIIOWXSLDHLAY-UVTDQMKNSA-N 0 2 420.454 4.200 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000511205535 919818017 /nfs/dbraw/zinc/81/80/17/919818017.db2.gz MTGWGBHBLHANEC-UHFFFAOYSA-N 0 2 405.819 4.236 20 5 HIBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(-c2ccccn2)ccc1Cl ZINC000535880609 933462215 /nfs/dbraw/zinc/46/22/15/933462215.db2.gz UNURSKOKJFNCNP-UHFFFAOYSA-N 0 2 420.816 4.348 20 5 HIBDLN Cc1sc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])nc1-c1ccc(F)cc1 ZINC000537394957 933755786 /nfs/dbraw/zinc/75/57/86/933755786.db2.gz SWOXLWDCTDQJGL-UHFFFAOYSA-N 0 2 421.475 4.150 20 5 HIBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000539855205 938958748 /nfs/dbraw/zinc/95/87/48/938958748.db2.gz OZWFGTPZHOKNCN-UHFFFAOYSA-N 0 2 412.876 4.410 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000542713704 939856094 /nfs/dbraw/zinc/85/60/94/939856094.db2.gz HKWHWXVONQLJRG-UHFFFAOYSA-N 0 2 417.390 4.039 20 5 HIBDLN CC(C)(C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc([N+](=O)[O-])cc1F ZINC000545833194 940620958 /nfs/dbraw/zinc/62/09/58/940620958.db2.gz SXFFQTOALQOJAO-UHFFFAOYSA-N 0 2 420.853 4.244 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1Cc1cccc(C)c1 ZINC000550857537 941375098 /nfs/dbraw/zinc/37/50/98/941375098.db2.gz AQRZSUNFNUHTAK-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552624828 941725646 /nfs/dbraw/zinc/72/56/46/941725646.db2.gz ZKISJKSSMLRXTI-UHFFFAOYSA-N 0 2 413.459 4.230 20 5 HIBDLN COc1cc(OC)cc(Oc2cccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)c1 ZINC000553064783 941827326 /nfs/dbraw/zinc/82/73/26/941827326.db2.gz FWCRURMWDOZMML-UHFFFAOYSA-N 0 2 424.409 4.040 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)sc2c1 ZINC000567456327 946343962 /nfs/dbraw/zinc/34/39/62/946343962.db2.gz ILJGFKUKUPJODC-UHFFFAOYSA-N 0 2 403.363 4.024 20 5 HIBDLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000063181078 851628139 /nfs/dbraw/zinc/62/81/39/851628139.db2.gz LDFPWHOTQOYGMB-UHFFFAOYSA-N 0 2 404.366 4.122 20 5 HIBDLN Cc1c(NS(=O)(=O)c2c(Cl)cccc2Br)cccc1[N+](=O)[O-] ZINC000389874984 855452797 /nfs/dbraw/zinc/45/27/97/855452797.db2.gz DCPNNWMPVQVIPY-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1C ZINC000409488479 855506197 /nfs/dbraw/zinc/50/61/97/855506197.db2.gz ZNXPAFGNBUDSJY-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433145942 859540277 /nfs/dbraw/zinc/54/02/77/859540277.db2.gz SGVNESQGKSNSCD-UHFFFAOYSA-N 0 2 422.626 4.048 20 5 HIBDLN COc1c(C)ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000446992749 870881167 /nfs/dbraw/zinc/88/11/67/870881167.db2.gz XCBAHYMQBIJHDQ-UHFFFAOYSA-N 0 2 404.366 4.040 20 5 HIBDLN CCc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)sc2c1 ZINC000464411240 877616463 /nfs/dbraw/zinc/61/64/63/877616463.db2.gz YOICLVIKRBMBSU-UHFFFAOYSA-N 0 2 414.468 4.116 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2cccc(Br)c2n1 ZINC000465584301 879065475 /nfs/dbraw/zinc/06/54/75/879065475.db2.gz BIWSUIKWPWYRGF-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000471946707 886749106 /nfs/dbraw/zinc/74/91/06/886749106.db2.gz APFLTQKSGNYBEB-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000479138806 894408313 /nfs/dbraw/zinc/40/83/13/894408313.db2.gz YZQWGIFVGOMHSO-UHFFFAOYSA-N 0 2 420.878 4.160 20 5 HIBDLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C(C)C)cc1 ZINC000480240387 895649549 /nfs/dbraw/zinc/64/95/49/895649549.db2.gz IAPZEIDZAJDTFN-UHFFFAOYSA-N 0 2 400.460 4.013 20 5 HIBDLN CC(C)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(Cl)cc1 ZINC000480243413 895654911 /nfs/dbraw/zinc/65/49/11/895654911.db2.gz DMPRJMRUGNEWPG-UHFFFAOYSA-N 0 2 420.878 4.358 20 5 HIBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000505782679 914448590 /nfs/dbraw/zinc/44/85/90/914448590.db2.gz NSGJTCDMWMFIIX-UHFFFAOYSA-N 0 2 413.459 4.143 20 5 HIBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000490372781 903964100 /nfs/dbraw/zinc/96/41/00/903964100.db2.gz WTNLUKWJXUEAMG-UHFFFAOYSA-N 0 2 419.422 4.253 20 5 HIBDLN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cc(O)ccc3[N+](=O)[O-])s2)cc1 ZINC000512914038 921407620 /nfs/dbraw/zinc/40/76/20/921407620.db2.gz VSKHRCWNKKVNGK-NSHDSACASA-N 0 2 413.455 4.232 20 5 HIBDLN COc1cc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000507172493 915914866 /nfs/dbraw/zinc/91/48/66/915914866.db2.gz DQTHBMJBSXYSRP-HNNXBMFYSA-N 0 2 422.437 4.379 20 5 HIBDLN COc1cc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000507172494 915915237 /nfs/dbraw/zinc/91/52/37/915915237.db2.gz DQTHBMJBSXYSRP-OAHLLOKOSA-N 0 2 422.437 4.379 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2OCc2cscn2)c1C ZINC000508028824 916863323 /nfs/dbraw/zinc/86/33/23/916863323.db2.gz XRDTXUJPIZDJET-UHFFFAOYSA-N 0 2 419.484 4.048 20 5 HIBDLN O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000512135695 920882914 /nfs/dbraw/zinc/88/29/14/920882914.db2.gz NPKPAAHJASCJCO-UHFFFAOYSA-N 0 2 407.354 4.278 20 5 HIBDLN O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000512145809 920888646 /nfs/dbraw/zinc/88/86/46/920888646.db2.gz NXRGCNVNUPIQMH-UHFFFAOYSA-N 0 2 413.333 4.104 20 5 HIBDLN CC(Sc1ccc([N+](=O)[O-])cc1)=C(O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000520966188 928892975 /nfs/dbraw/zinc/89/29/75/928892975.db2.gz UPTCRWRKKGAYSM-SNVBAGLBSA-N 0 2 420.903 4.308 20 5 HIBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000542514541 939835636 /nfs/dbraw/zinc/83/56/36/939835636.db2.gz GIGYPZPFZJBCJD-UHFFFAOYSA-N 0 2 406.320 4.066 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1Cc1ccc(C)cc1 ZINC000551239406 941433421 /nfs/dbraw/zinc/43/34/21/941433421.db2.gz SWAFVOPVMQYGKV-UHFFFAOYSA-N 0 2 403.485 4.060 20 5 HIBDLN Cc1nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])sc1Cc1ccc(F)c(F)c1F ZINC000552222429 941607284 /nfs/dbraw/zinc/60/72/84/941607284.db2.gz XFQRTBVRIHMDCD-UHFFFAOYSA-N 0 2 423.372 4.326 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016099616 846123706 /nfs/dbraw/zinc/12/37/06/846123706.db2.gz DHDICUBHRINJGP-UHFFFAOYSA-N 0 2 410.757 4.076 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000437000240 862174433 /nfs/dbraw/zinc/17/44/33/862174433.db2.gz MMEIGTHLOUJOGS-KRWDZBQOSA-N 0 2 412.833 4.321 20 5 HIBDLN Cc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1[N+](=O)[O-] ZINC000065094681 852062403 /nfs/dbraw/zinc/06/24/03/852062403.db2.gz SBUJGHSGKFPTIW-UHFFFAOYSA-N 0 2 401.220 4.308 20 5 HIBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000302192262 854547352 /nfs/dbraw/zinc/54/73/52/854547352.db2.gz BVYZOPMKCMAQFS-UHFFFAOYSA-N 0 2 420.450 4.173 20 5 HIBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC000430563565 858219657 /nfs/dbraw/zinc/21/96/57/858219657.db2.gz JFFOXFGMXCWACQ-UHFFFAOYSA-N 0 2 417.377 4.187 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3cccc4ccccc43)o2)cc1[N+](=O)[O-] ZINC000446776822 870692514 /nfs/dbraw/zinc/69/25/14/870692514.db2.gz PHPGEUHNOIDXBX-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000447011961 870891427 /nfs/dbraw/zinc/89/14/27/870891427.db2.gz YPOSAORUXLYSHL-SNVBAGLBSA-N 0 2 404.366 4.122 20 5 HIBDLN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000462379298 875490834 /nfs/dbraw/zinc/49/08/34/875490834.db2.gz IRNXWACYGYLESZ-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000504071877 912973912 /nfs/dbraw/zinc/97/39/12/912973912.db2.gz NMQKWMCRPLGXCZ-UHFFFAOYSA-N 0 2 400.485 4.290 20 5 HIBDLN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1[nH]nc(-c2ccccc2)c1Br ZINC000473348466 888076740 /nfs/dbraw/zinc/07/67/40/888076740.db2.gz JHSHEJHLZXQWBW-UHFFFAOYSA-N 0 2 405.183 4.139 20 5 HIBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000479993244 895347223 /nfs/dbraw/zinc/34/72/23/895347223.db2.gz WJYAGJSMAOVXIS-UHFFFAOYSA-N 0 2 424.891 4.130 20 5 HIBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1oc2ccccc2c1CSc1ncccn1 ZINC000483445001 899079689 /nfs/dbraw/zinc/07/96/89/899079689.db2.gz UWRVXTSKEOZSGJ-UHFFFAOYSA-N 0 2 422.422 4.381 20 5 HIBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485409133 900706834 /nfs/dbraw/zinc/70/68/34/900706834.db2.gz RFTZKNQGKLMUAT-UHFFFAOYSA-N 0 2 411.418 4.143 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1[N+](=O)[O-] ZINC000486085978 901275752 /nfs/dbraw/zinc/27/57/52/901275752.db2.gz LHCBXTLNTWCMHU-UHFFFAOYSA-N 0 2 400.460 4.013 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486090862 901279792 /nfs/dbraw/zinc/27/97/92/901279792.db2.gz OLIWSPWWCLRESB-UHFFFAOYSA-N 0 2 400.460 4.013 20 5 HIBDLN Cc1nc(-c2cccs2)sc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490373479 903966892 /nfs/dbraw/zinc/96/68/92/903966892.db2.gz SPSYDLYGXJSLBZ-UHFFFAOYSA-N 0 2 412.456 4.126 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)cc1[N+](=O)[O-] ZINC000494452899 905735707 /nfs/dbraw/zinc/73/57/07/905735707.db2.gz OZIMEWHVZGBVAZ-UHFFFAOYSA-N 0 2 415.349 4.172 20 5 HIBDLN Cc1sc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000506758950 915456392 /nfs/dbraw/zinc/45/63/92/915456392.db2.gz NKEZPMURTFOWQC-UHFFFAOYSA-N 0 2 403.847 4.316 20 5 HIBDLN Cc1cc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)ccc1[N+](=O)[O-] ZINC000509396103 918061966 /nfs/dbraw/zinc/06/19/66/918061966.db2.gz HOHCTACYDYHPGB-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c([N+](=O)[O-])c1 ZINC000509648175 918286105 /nfs/dbraw/zinc/28/61/05/918286105.db2.gz CTNFSLKADIXKOD-UHFFFAOYSA-N 0 2 408.439 4.043 20 5 HIBDLN O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000513655788 921977893 /nfs/dbraw/zinc/97/78/93/921977893.db2.gz OPTZZRVCWZYNAW-UHFFFAOYSA-N 0 2 423.372 4.373 20 5 HIBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC000513788884 922117395 /nfs/dbraw/zinc/11/73/95/922117395.db2.gz ZCTDHVVNUPQUMH-UHFFFAOYSA-N 0 2 415.496 4.391 20 5 HIBDLN C[C@H]1CCCN(c2ccc(C(=O)Nc3nc(-c4ccccc4F)n[nH]3)cc2[N+](=O)[O-])C1 ZINC000520273410 928437457 /nfs/dbraw/zinc/43/74/57/928437457.db2.gz OHVHHOMUCFVXMR-ZDUSSCGKSA-N 0 2 424.436 4.008 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000520702507 928747862 /nfs/dbraw/zinc/74/78/62/928747862.db2.gz UKBIFWUPYISUSL-UHFFFAOYSA-N 0 2 407.473 4.137 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c([N+](=O)[O-])c1 ZINC000521888675 929536404 /nfs/dbraw/zinc/53/64/04/929536404.db2.gz GJKAEVRUHNJQPI-UHFFFAOYSA-N 0 2 422.466 4.102 20 5 HIBDLN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000532610465 931554017 /nfs/dbraw/zinc/55/40/17/931554017.db2.gz XGUVCGHUUUFZNX-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1ccccc1-n1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C(F)(F)F ZINC000534804317 932780408 /nfs/dbraw/zinc/78/04/08/932780408.db2.gz FVZQCFYYYYERNF-UHFFFAOYSA-N 0 2 406.320 4.066 20 5 HIBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccc(Br)cc2n1 ZINC000541587525 939561015 /nfs/dbraw/zinc/56/10/15/939561015.db2.gz JHPPLDBZJPVCAN-UHFFFAOYSA-N 0 2 402.204 4.172 20 5 HIBDLN Cc1ccc(-n2ncc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2C(F)(F)F)cc1 ZINC000542515994 939835718 /nfs/dbraw/zinc/83/57/18/939835718.db2.gz GVEDZVHFVZAGCX-UHFFFAOYSA-N 0 2 406.320 4.066 20 5 HIBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000544403329 940413438 /nfs/dbraw/zinc/41/34/38/940413438.db2.gz KFOZDSODGUHVLN-UHFFFAOYSA-N 0 2 400.394 4.405 20 5 HIBDLN Cc1sc(NS(=O)(=O)Cc2cccc(C)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000545857330 940639294 /nfs/dbraw/zinc/63/92/94/940639294.db2.gz NTAJKGWLZRRZKO-UHFFFAOYSA-N 0 2 403.485 4.277 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccccc3C(F)(F)F)sc2c1 ZINC000551039309 941399448 /nfs/dbraw/zinc/39/94/48/941399448.db2.gz NZDADAJWQNPOMD-UHFFFAOYSA-N 0 2 403.363 4.024 20 5 HIBDLN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552513177 941691598 /nfs/dbraw/zinc/69/15/98/941691598.db2.gz IYHXQZLDXJLUOR-UHFFFAOYSA-N 0 2 406.263 4.215 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000572756331 948001721 /nfs/dbraw/zinc/00/17/21/948001721.db2.gz WKFJDYBGRASOIZ-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1cc2nc(-c3ccc(CNC(=O)c4cc(O)ccc4[N+](=O)[O-])cc3)[nH]c2cc1C ZINC000575363650 948656005 /nfs/dbraw/zinc/65/60/05/948656005.db2.gz CSCKAZXBXBFGLV-UHFFFAOYSA-N 0 2 416.437 4.391 20 5 HIBDLN O=C(Nc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000436535986 861840124 /nfs/dbraw/zinc/84/01/24/861840124.db2.gz MLPWJLCMEBMYIE-UHFFFAOYSA-N 0 2 401.762 4.051 20 5 HIBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCSc2ccc(Br)cc21 ZINC000436992140 862167124 /nfs/dbraw/zinc/16/71/24/862167124.db2.gz XQYDRAFKFVNINH-AWEZNQCLSA-N 0 2 423.288 4.372 20 5 HIBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1NC(=O)C1CCCCC1 ZINC000436999592 862172201 /nfs/dbraw/zinc/17/22/01/862172201.db2.gz KCYHBYGPGDMZLK-UHFFFAOYSA-N 0 2 413.430 4.080 20 5 HIBDLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000063181039 851628416 /nfs/dbraw/zinc/62/84/16/851628416.db2.gz YEMSRIJGOFUXNC-UHFFFAOYSA-N 0 2 404.366 4.122 20 5 HIBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000318766175 855383904 /nfs/dbraw/zinc/38/39/04/855383904.db2.gz OFOSFMOXZNEZBT-UHFFFAOYSA-N 0 2 405.657 4.120 20 5 HIBDLN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000321183785 855390399 /nfs/dbraw/zinc/39/03/99/855390399.db2.gz ZYAOWYVGBBDLOH-UHFFFAOYSA-N 0 2 419.684 4.428 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c(Cl)c1 ZINC000409481578 855503122 /nfs/dbraw/zinc/50/31/22/855503122.db2.gz BQBQPHFGZFIEME-UHFFFAOYSA-N 0 2 409.876 4.096 20 5 HIBDLN Cc1nc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000426678671 856408591 /nfs/dbraw/zinc/40/85/91/856408591.db2.gz DPCWNKKFZCNGES-UHFFFAOYSA-N 0 2 417.418 4.279 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccsc32)c(Br)c1 ZINC000443476792 868062265 /nfs/dbraw/zinc/06/22/65/868062265.db2.gz OQPOHKVMQDTBLD-UHFFFAOYSA-N 0 2 413.274 4.373 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3ccc4ccccc4c3)o2)cc1C ZINC000446766719 870680697 /nfs/dbraw/zinc/68/06/97/870680697.db2.gz ARVFCEPZDXCDTN-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000471509764 886211602 /nfs/dbraw/zinc/21/16/02/886211602.db2.gz BGYCDTANDGDVOW-OAHLLOKOSA-N 0 2 418.500 4.097 20 5 HIBDLN C[C@H](C(=O)c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477086257 892019698 /nfs/dbraw/zinc/01/96/98/892019698.db2.gz MNZCMXWWDBEKCT-OAHLLOKOSA-N 0 2 411.435 4.432 20 5 HIBDLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000479125516 894394706 /nfs/dbraw/zinc/39/47/06/894394706.db2.gz DAIVANXQWMPDOU-UHFFFAOYSA-N 0 2 420.878 4.160 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c2ncccc12 ZINC000479140260 894410995 /nfs/dbraw/zinc/41/09/95/894410995.db2.gz LOVDBNWUNMSTDG-UHFFFAOYSA-N 0 2 420.859 4.207 20 5 HIBDLN Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc12 ZINC000483436123 899069883 /nfs/dbraw/zinc/06/98/83/899069883.db2.gz CUKAQPGJRHKSLI-UHFFFAOYSA-N 0 2 408.439 4.321 20 5 HIBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cc(Cl)sc3Cl)sc2c1 ZINC000483672962 899333617 /nfs/dbraw/zinc/33/36/17/899333617.db2.gz XFIVYDGIOMESEI-UHFFFAOYSA-N 0 2 410.285 4.374 20 5 HIBDLN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497878719 907354189 /nfs/dbraw/zinc/35/41/89/907354189.db2.gz BGVZDSPCBYJQOZ-QGZVFWFLSA-N 0 2 424.375 4.312 20 5 HIBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc1[N+](=O)[O-] ZINC000507300316 916063962 /nfs/dbraw/zinc/06/39/62/916063962.db2.gz DJEAZZOXCVLMHJ-UHFFFAOYSA-N 0 2 400.460 4.148 20 5 HIBDLN CC(C)(C)Oc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000513638368 921961753 /nfs/dbraw/zinc/96/17/53/921961753.db2.gz RFGJSOCYVNSDOE-UHFFFAOYSA-N 0 2 412.364 4.427 20 5 HIBDLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000518370080 927226097 /nfs/dbraw/zinc/22/60/97/927226097.db2.gz CJFZCOWLKYWPAT-UHFFFAOYSA-N 0 2 415.862 4.015 20 5 HIBDLN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000540653421 939331315 /nfs/dbraw/zinc/33/13/15/939331315.db2.gz MEDYJDUMMNAMOI-UHFFFAOYSA-N 0 2 422.260 4.015 20 5 HIBDLN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000557085281 943016506 /nfs/dbraw/zinc/01/65/06/943016506.db2.gz ZUUKMLFNEKVXGD-UHFFFAOYSA-N 0 2 413.459 4.086 20 5 HIBDLN O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000560628149 944279814 /nfs/dbraw/zinc/27/98/14/944279814.db2.gz FPULXKCHDNGINB-HNNXBMFYSA-N 0 2 413.430 4.370 20 5 HIBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC000032595618 848052342 /nfs/dbraw/zinc/05/23/42/848052342.db2.gz PXJGPCLYHMISAC-UHFFFAOYSA-N 0 2 416.455 4.345 20 5 HIBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000437002641 862176777 /nfs/dbraw/zinc/17/67/77/862176777.db2.gz RLCMZEJXEDCDBS-OAHLLOKOSA-N 0 2 409.211 4.179 20 5 HIBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)ccc1Br ZINC000229011242 853890822 /nfs/dbraw/zinc/89/08/22/853890822.db2.gz FEOCJHCSHXAHPY-UHFFFAOYSA-N 0 2 416.025 4.078 20 5 HIBDLN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000327017269 855414388 /nfs/dbraw/zinc/41/43/88/855414388.db2.gz ZNXPKHCFOZIVKU-UHFFFAOYSA-N 0 2 405.126 4.334 20 5 HIBDLN CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000409535962 855529676 /nfs/dbraw/zinc/52/96/76/855529676.db2.gz ODXMEAMTMJRHRK-VIFPVBQESA-N 0 2 401.897 4.020 20 5 HIBDLN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000425979890 856028421 /nfs/dbraw/zinc/02/84/21/856028421.db2.gz MDTDFJQFQDFRIH-UHFFFAOYSA-N 0 2 422.503 4.418 20 5 HIBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432068498 858966226 /nfs/dbraw/zinc/96/62/26/858966226.db2.gz HCJLMELLXUSKNY-UHFFFAOYSA-N 0 2 418.393 4.244 20 5 HIBDLN CC(C)c1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000442220370 867245962 /nfs/dbraw/zinc/24/59/62/867245962.db2.gz PIFKODSGTYWACV-UHFFFAOYSA-N 0 2 420.878 4.358 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)cc1C ZINC000446775393 870690991 /nfs/dbraw/zinc/69/09/91/870690991.db2.gz YAZXBOQZYKVRGY-NSHDSACASA-N 0 2 410.496 4.010 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)cc1[N+](=O)[O-] ZINC000446777157 870692995 /nfs/dbraw/zinc/69/29/95/870692995.db2.gz PYFUYMCWBNETHZ-NSHDSACASA-N 0 2 410.496 4.010 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3cccc4ccccc43)o2)c1C ZINC000446780239 870697981 /nfs/dbraw/zinc/69/79/81/870697981.db2.gz IBZWIHGJLTZTMU-UHFFFAOYSA-N 0 2 424.438 4.216 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c(C(F)(F)F)c1 ZINC000446988588 870879618 /nfs/dbraw/zinc/87/96/18/870879618.db2.gz HOOSKGKGEBEQPQ-UHFFFAOYSA-N 0 2 413.333 4.069 20 5 HIBDLN COc1cc(C)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000447263949 871145485 /nfs/dbraw/zinc/14/54/85/871145485.db2.gz LVZIYTCKRRVISS-UHFFFAOYSA-N 0 2 404.366 4.040 20 5 HIBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000462444538 875551842 /nfs/dbraw/zinc/55/18/42/875551842.db2.gz CKNIWEKNBFTCGJ-APPZFPTMSA-N 0 2 421.224 4.301 20 5 HIBDLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000463160533 876215294 /nfs/dbraw/zinc/21/52/94/876215294.db2.gz FTUJDOJRUOFQRE-UHFFFAOYSA-N 0 2 417.212 4.420 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c2ncccc12 ZINC000463518323 876584142 /nfs/dbraw/zinc/58/41/42/876584142.db2.gz RGBRKANWYOSTAF-UHFFFAOYSA-N 0 2 412.452 4.067 20 5 HIBDLN CC(C)(C)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463779781 876898956 /nfs/dbraw/zinc/89/89/56/876898956.db2.gz CAMBDRCCJZYDKW-UHFFFAOYSA-N 0 2 413.455 4.173 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c2ncccc12 ZINC000463792387 876911070 /nfs/dbraw/zinc/91/10/70/876911070.db2.gz XDYLPFFSYLBBNV-UHFFFAOYSA-N 0 2 411.361 4.049 20 5 HIBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c2ncccc12 ZINC000464413772 877620276 /nfs/dbraw/zinc/62/02/76/877620276.db2.gz FHZLCQYVKVMWOS-UHFFFAOYSA-N 0 2 420.859 4.207 20 5 HIBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000469510475 883766834 /nfs/dbraw/zinc/76/68/34/883766834.db2.gz MLOYXXHQXZSNPO-CQSZACIVSA-N 0 2 420.425 4.435 20 5 HIBDLN O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469560920 883814405 /nfs/dbraw/zinc/81/44/05/883814405.db2.gz UAAVZYKFTKKEMO-UHFFFAOYSA-N 0 2 417.849 4.269 20 5 HIBDLN CSc1cccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1[N+](=O)[O-] ZINC000486226503 901410287 /nfs/dbraw/zinc/41/02/87/901410287.db2.gz AZOLKSSXYXGGPQ-UHFFFAOYSA-N 0 2 406.876 4.163 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] ZINC000493036545 905000990 /nfs/dbraw/zinc/00/09/90/905000990.db2.gz WJQSZKZOJCAQKA-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)cc1[N+](=O)[O-] ZINC000493207431 905049662 /nfs/dbraw/zinc/04/96/62/905049662.db2.gz CQDHTNUMSGQDNQ-UHFFFAOYSA-N 0 2 417.390 4.039 20 5 HIBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000494485398 905768268 /nfs/dbraw/zinc/76/82/68/905768268.db2.gz MKWIMFNWZLDXTO-UHFFFAOYSA-N 0 2 415.349 4.172 20 5 HIBDLN CC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1cccc(Br)c1 ZINC000512749341 921301072 /nfs/dbraw/zinc/30/10/72/921301072.db2.gz NPWVMLVNQMLRIT-GFCCVEGCSA-N 0 2 407.264 4.062 20 5 HIBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000507766820 916553646 /nfs/dbraw/zinc/55/36/46/916553646.db2.gz PDQSQGBPKPGWOS-CYBMUJFWSA-N 0 2 423.400 4.183 20 5 HIBDLN O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000515079217 922896517 /nfs/dbraw/zinc/89/65/17/922896517.db2.gz OAICIPBOQSDKJV-UHFFFAOYSA-N 0 2 424.284 4.002 20 5 HIBDLN CSCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000533005651 931732860 /nfs/dbraw/zinc/73/28/60/931732860.db2.gz QINZEFCYMJITMH-UHFFFAOYSA-N 0 2 406.407 4.277 20 5 HIBDLN CC(C)(C)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000539553641 938879234 /nfs/dbraw/zinc/87/92/34/938879234.db2.gz URCGLEXQOPDHMW-UHFFFAOYSA-N 0 2 423.438 4.460 20 5 HIBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 ZINC000542713475 939856072 /nfs/dbraw/zinc/85/60/72/939856072.db2.gz FCQPGTXUSLFNSP-UHFFFAOYSA-N 0 2 424.891 4.184 20 5 HIBDLN COc1ccc2ccccc2c1-c1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])on1 ZINC000556968842 942983276 /nfs/dbraw/zinc/98/32/76/942983276.db2.gz IVGDCZDFTYTIAM-UHFFFAOYSA-N 0 2 419.393 4.047 20 5 HIBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1Cc1cccc(Cl)c1 ZINC000574828499 948537017 /nfs/dbraw/zinc/53/70/17/948537017.db2.gz XPPBJWFHMBIYQN-UHFFFAOYSA-N 0 2 423.903 4.405 20 5 HIBDLN